@datagrok/bio 2.4.31 → 2.4.40

package/files/libraries/broken-lib.sdf

@@ -0,0 +1,136 @@
+HELM Core Monomer library
+     RDKit          2D
+
+  7  6  0  0  1  0  0  0  0  0999 V2000
+    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.8250    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+    1.2375    2.1434    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
+    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.2375   -0.7145    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+  2  1  1  1
+  2  3  1  0
+  3  4  1  0
+  2  5  1  0
+  5  6  1  0
+  5  7  2  0
+M  RGP  2   4   1   6   2
+M  END
+
+>  <monomerType>
+Backbone
+
+>  <author>
+Pistoia Alliance HELM project
+
+>  <naturalAnalog>
+A
+
+>  <createDate>
+
+
+>  <id>
+0
+
+>  <polymerType>
+PEPTIDE
+
+>  <symbol>
+A
+
+$$$$
+HELM Core Monomer library
+  Ketcher 10131612512D 1   1.00000     0.00000     0
+
+ 11 12  0     0  0            999 V2000
+    0.9632   -3.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0970   -4.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0970   -5.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.9630   -5.5451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+    1.8291   -5.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.8293   -4.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.8536   -5.3539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.4413   -4.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.8535   -3.7357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+    0.9632   -2.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.1626   -6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+  1 10  1  0     0  0
+  1  6  2  0     0  0
+  1  2  1  0     0  0
+  9  2  1  0     0  0
+  2  3  2  0     0  0
+  7  3  1  0     0  0
+  3  4  1  0     0  0
+  4  5  2  0     0  0
+  5  6  1  0     0  0
+  7  8  1  0     0  0
+  7 11  1  0     0  0
+  8  9  2  0     0  0
+A   11
+R1
+M  END
+
+>  <monomerType>
+Branch
+
+>  <author>
+Pistoia Alliance HELM project
+
+>  <naturalAnalog>
+A
+
+>  <createDate>
+
+
+>  <id>
+0
+
+>  <polymerType>
+RNA
+
+>  <symbol>
+A
+
+$$$$
+HELM Core Monomer library
+  Ketcher 10061618102D 1   1.00000     0.00000     0
+
+  5  4  0     0  0            999 V2000
+   15.7527  -12.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   15.7527  -13.0837    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
+   16.6188  -13.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   15.2527  -13.9496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+   14.7868  -12.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0     0  0
+  2  3  1  0     0  0
+  2  4  2  0     0  0
+  2  5  1  0     0  0
+A    1
+R1
+A    3
+R2
+M  END
+
+>  <monomerType>
+Backbone
+
+>  <author>
+Pistoia Alliance HELM project
+
+>  <naturalAnalog>
+p
+
+>  <createDate>
+
+
+>  <id>
+0
+
+>  <polymerType>
+RNA
+
+>  <symbol>
+p
+
+$$$$

package/files/libraries/group1/mock-lib-3.json

@@ -0,0 +1,74 @@
+[
+  {
+    "monomerType": "Backbone", 
+    "smiles": "C[C@H](N[H:1])C([OH:2])=O", 
+    "name": "Alanine", 
+    "author": "Pistoia Alliance HELM project", 
+    "molfile": "HELM Core Monomer library\n     RDKit          2D\n\n  7  6  0  0  1  0  0  0  0  0999 V2000\n    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8250    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2375    2.1434    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2375   -0.7145    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1\n  2  3  1  0\n  3  4  1  0\n  2  5  1  0\n  5  6  1  0\n  5  7  2  0\nM  RGP  2   4   1   6   2\nM  END\n", 
+    "naturalAnalog": "A", 
+    "rgroups": [
+      {
+        "capGroupSmiles": "[*:1][H]", 
+        "alternateId": "R1-H", 
+        "capGroupName": "H", 
+        "label": "R1"
+      }, 
+      {
+        "capGroupSmiles": "O[*:2]", 
+        "alternateId": "R2-OH", 
+        "capGroupName": "OH", 
+        "label": "R2"
+      }
+    ], 
+    "createDate": null, 
+    "id": 0, 
+    "polymerType": "PEPTIDE", 
+    "symbol": "A"
+  },
+  {
+        "monomerType": "Branch", 
+        "smiles": "[H:1]n1cnc2c(N)ncnc21", 
+        "name": "Adenine", 
+        "author": "Pistoia Alliance HELM project", 
+        "molfile": "HELM Core Monomer library\n  Ketcher 10131612512D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    0.9632   -3.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0970   -4.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0970   -5.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9630   -5.5451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8291   -5.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8293   -4.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8536   -5.3539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4413   -4.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8535   -3.7357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9632   -2.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1626   -6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 10  1  0     0  0\n  1  6  2  0     0  0\n  1  2  1  0     0  0\n  9  2  1  0     0  0\n  2  3  2  0     0  0\n  7  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  7  8  1  0     0  0\n  7 11  1  0     0  0\n  8  9  2  0     0  0\nA   11\nR1\nM  END\n", 
+        "naturalAnalog": "A", 
+        "rgroups": [
+            {
+                "capGroupSMILES": "[*:1][H]", 
+                "alternateId": "R1-H", 
+                "capGroupName": "H", 
+                "label": "R1"
+            }
+        ], 
+        "symbol": "A", 
+        "createDate": null, 
+        "polymerType": "RNA", 
+        "id": 0
+    },
+    {
+        "monomerType": "Backbone", 
+        "smiles": "[OH:1]P([OH:2])(=O)O", 
+        "name": "Phosphate", 
+        "author": "Pistoia Alliance HELM project", 
+        "molfile": "HELM Core Monomer library\n  Ketcher 10061618102D 1   1.00000     0.00000     0\n\n  5  4  0     0  0            999 V2000\n   15.7527  -12.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7527  -13.0837    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6188  -13.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2527  -13.9496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7868  -12.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  2  4  2  0     0  0\n  2  5  1  0     0  0\nA    1\nR1\nA    3\nR2\nM  END\n", 
+        "naturalAnalog": "p", 
+        "rgroups": [
+            {
+                "capGroupSMILES": "O[*:1]", 
+                "alternateId": "R1-OH", 
+                "capGroupName": "OH", 
+                "label": "R1"
+            }, 
+            {
+                "capGroupSMILES": "O[*:2]", 
+                "alternateId": "R2-OH", 
+                "capGroupName": "OH", 
+                "label": "R2"
+            }
+        ], 
+        "symbol": "p", 
+        "createDate": null, 
+        "polymerType": "RNA", 
+        "id": 0
+    }
+]

package/files/libraries/mock-lib-2.json

@@ -0,0 +1,48 @@
+[
+  {
+    "monomerType": "Backbone", 
+    "smiles": "C[C@H](N[H:1])C([OH:2])=O", 
+    "name": "Alanine", 
+    "author": "Pistoia Alliance HELM project", 
+    "molfile": "HELM Core Monomer library\n     RDKit          2D\n\n  7  6  0  0  1  0  0  0  0  0999 V2000\n    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8250    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2375    2.1434    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2375   -0.7145    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1\n  2  3  1  0\n  3  4  1  0\n  2  5  1  0\n  5  6  1  0\n  5  7  2  0\nM  RGP  2   4   1   6   2\nM  END\n", 
+    "naturalAnalog": "A", 
+    "rgroups": [
+      {
+        "capGroupSmiles": "[*:1][H]", 
+        "alternateId": "R1-H", 
+        "capGroupName": "H", 
+        "label": "R1"
+      }, 
+      {
+        "capGroupSmiles": "O[*:2]", 
+        "alternateId": "R2-OH", 
+        "capGroupName": "OH", 
+        "label": "R2"
+      }
+    ], 
+    "createDate": null, 
+    "id": 0, 
+    "polymerType": "PEPTIDE", 
+    "symbol": "A"
+  },
+  {
+        "monomerType": "Branch", 
+        "smiles": "[H:1]n1cnc2c(N)ncnc21", 
+        "name": "Adenine", 
+        "author": "Pistoia Alliance HELM project", 
+        "molfile": "HELM Core Monomer library\n  Ketcher 10131612512D 1   1.00000     0.00000     0\n\n 11 12  0     0  0            999 V2000\n    0.9632   -3.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0970   -4.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0970   -5.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9630   -5.5451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8291   -5.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8293   -4.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8536   -5.3539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4413   -4.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8535   -3.7357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9632   -2.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1626   -6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 10  1  0     0  0\n  1  6  2  0     0  0\n  1  2  1  0     0  0\n  9  2  1  0     0  0\n  2  3  2  0     0  0\n  7  3  1  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  7  8  1  0     0  0\n  7 11  1  0     0  0\n  8  9  2  0     0  0\nA   11\nR1\nM  END\n", 
+        "naturalAnalog": "A", 
+        "rgroups": [
+            {
+                "capGroupSMILES": "[*:1][H]", 
+                "alternateId": "R1-H", 
+                "capGroupName": "H", 
+                "label": "R1"
+            }
+        ], 
+        "symbol": "A", 
+        "createDate": null, 
+        "polymerType": "RNA", 
+        "id": 0
+    }
+]

package/files/tests/100_3_clustests.csv

@@ -0,0 +1,100 @@
+cluster,sequence_id,sequence,activity,is_cliff
+0,c0_seq89,KSKMMIFNTAENMYIM, 3.51,False
+0,c0_seq90,NLTMMHQQTAEALAMM, 3.00,False
+0,c0_seq91,RWTGMIQQTAVAMYPC, 2.84,False
+0,c0_seq92,YIRMMIQCTAVAMANE, 2.80,False
+0,c0_seq93,CKKGMIQCTAGNLYAK, 3.30,False
+0,c0_seq94,DHRMMIFQTAGNLYSQ, 3.68,False
+0,c0_seq95,DLKMMHQNTPGNMAQD, 4.93,True
+0,c0_seq96,DLKMMHQNTAGNMAQD, 1.19,True
+0,c0_seq97,KLKMMHFQTAGNLAQH, 3.26,False
+0,c0_seq98,WIRMMHFCTAGAMAGH, 2.70,False
+0,c0_seq99,TNTMMHQCTAVALAQR, 2.16,False
+0,c0_seq100,VHTMMIFQTAEALYKY, 2.58,False
+0,c0_seq101,FGTGMIFNTAGNMYMT, 3.28,False
+0,c0_seq102,MVKGMHQQTAENMYDV, 3.41,False
+0,c0_seq103,RMTGMIQCTAGALAKC, 2.49,False
+0,c0_seq104,KMRMMHFNTAENMYLD, 3.43,False
+0,c0_seq105,CRTMMIQNTAENLYFM, 3.06,False
+0,c0_seq106,KSTGMIQCTAGAMYGT, 2.68,False
+0,c0_seq107,VFTMMHFNTAEAMYHG, 2.92,False
+0,c0_seq108,YPRMMIQCTAGNLAEE, 2.99,False
+0,c0_seq109,LETMMHQQTAGNMYTN, 3.56,False
+0,c0_seq110,SDKGMIFNTAENMYHS, 3.67,False
+0,c0_seq111,SSRMMHQNTAVALAHR, 2.93,False
+0,c0_seq112,QATGMIFNTAEAMYSV, 3.34,False
+0,c0_seq113,AQTGMHFNTAENMYFC, 2.56,False
+0,c0_seq114,TDRGMHQCTAVAMALG, 3.47,False
+0,c0_seq115,WDTGMIFCTAGALYQI, 3.09,False
+0,c0_seq116,HLKMMIFQTAVNLYDG, 2.86,False
+0,c0_seq117,NNRGMIFNTAENLAGR, 2.67,False
+0,c0_seq118,CFRGMHQQTAENMALH, 2.86,False
+0,c0_seq119,PSKGMHQQTAVNMALD, 2.44,False
+0,c0_seq120,CGKMMIQNTAVALYSS, 2.85,False
+0,c0_seq121,WKRGMIQQTAVNLYVR, 3.70,False
+0,c0_seq122,AWRGMHFNTAEALACL, 3.10,False
+1,c1_seq639,PDNEWTKKNNWLATWK, 4.43,False
+1,c1_seq640,NCNEMTSWRNILAASQ, 4.41,False
+1,c1_seq641,QMNEWTSKNNTLATWE, 4.43,False
+1,c1_seq642,LRNEWTSKNCILGTYN, 4.42,False
+1,c1_seq643,ALNEWTSKRNNLGAWW, 4.41,False
+1,c1_seq644,PANEMTKWRNKLATKC, 4.44,False
+1,c1_seq645,CNNEWTKWRDLLAADF, 4.44,False
+1,c1_seq646,QTNEMTKKRCTLVWFE, 4.49,True
+1,c1_seq647,QTNEMTKKRCTLAWFE, 4.37,True
+1,c1_seq648,VVNEMTKKNDRLGADL, 4.43,False
+1,c1_seq649,PPNEMTSKRDYLGAEW, 4.41,False
+1,c1_seq650,EQNEMTSKNNGLGTHD, 4.43,False
+1,c1_seq651,WCNEWTSWNCILGANT, 4.43,False
+1,c1_seq652,TWNEMTKKNDDLAAYQ, 4.43,False
+1,c1_seq653,QQNEWTSKRDILGWSG, 4.43,False
+1,c1_seq654,TFNEMTSWRNCLGAWI, 4.45,False
+1,c1_seq655,CRNEWTSKRNNLGWYH, 4.42,False
+1,c1_seq656,VLNEMTKWRNVLGTPN, 4.43,False
+1,c1_seq657,IMNEWTKWNNMLGTEK, 4.43,False
+1,c1_seq658,DFNEWTKWNCYLGWWK, 4.44,False
+1,c1_seq659,HKNEMTKWNNMLGAEY, 4.44,False
+1,c1_seq660,RRNEWTSKRDALGWVT, 4.42,False
+1,c1_seq661,RENEWTKKRNYLAWQT, 4.42,False
+1,c1_seq662,RHNEMTKWRCDLGTKS, 4.43,False
+1,c1_seq663,SLNEMTSKNNALGTDH, 4.43,False
+1,c1_seq664,DFNEMTSWNNNLGWMY, 4.42,False
+1,c1_seq665,MGNEWTKWRDQLATKW, 4.42,False
+1,c1_seq666,ELNEMTKWRNFLATEK, 4.41,False
+1,c1_seq667,MQNEMTKWNNELAWQP, 4.45,False
+1,c1_seq668,GRNEWTSKNCFLGTAG, 4.44,False
+1,c1_seq669,FRNEWTSKRCHLGWEC, 4.40,False
+2,c2_seq1022,WCEFRRFYICPQPVFH, 1.18,False
+2,c2_seq1023,WWGFRGRYIDKEPVRS,-1.03,False
+2,c2_seq1024,GKESDAIGGDRRPVNA, 1.24,False
+2,c2_seq1025,MGYVYTEMGCLFPVQV, 0.69,False
+2,c2_seq1026,QKYLDCLWMDYRPVNH, 3.84,True
+2,c2_seq1027,QKYLDCLWGDYRPVNH,-2.81,True
+2,c2_seq1028,MFELDLTNIDWYPVMM, 0.60,False
+2,c2_seq1029,CSEYDASSICKCPVYV, 1.33,False
+2,c2_seq1030,FHECRYSSGDSSPVAW,-0.33,False
+2,c2_seq1031,QNEKRDLMGDLYPVCE, 0.63,False
+2,c2_seq1032,VHEQRTKTGDDTPVAS, 0.41,False
+2,c2_seq1033,FVEIYDRPGCCNPVAC,-0.92,False
+2,c2_seq1034,KFEEYCLIICNRPVPD,-0.71,False
+2,c2_seq1035,YSGARQELIDSEPVDD, 0.35,False
+2,c2_seq1036,HLEWRLEHGDYWPVIA, 0.87,False
+2,c2_seq1037,QFEWYAAPGDCGPVVW, 1.08,False
+2,c2_seq1038,VMYSYPNRIDGCPVEV, 1.53,False
+2,c2_seq1039,ECYYRQIDICATPVGV,-1.44,False
+2,c2_seq1040,SLGAYCKNICFSPVYT,-0.81,False
+2,c2_seq1041,SHECYVCWICMMPVYF,-0.18,False
+2,c2_seq1042,EHGIYHPWICQDPVHI, 0.57,False
+2,c2_seq1043,HVYAYSHEICTWPVQM, 0.16,False
+2,c2_seq1044,VMYRDSFLGDKSPVNF, 1.70,False
+2,c2_seq1045,ELGIYCPYGDMKPVVV, 0.79,False
+2,c2_seq1046,RWESRRYKGCDRPVIV, 1.82,False
+2,c2_seq1047,SSYTDSLSGDNHPVYQ, 0.47,False
+2,c2_seq1048,LKYARSDCIDGIPVYH, 0.89,False
+2,c2_seq1049,WDYYDKAHIDIGPVCQ, 0.65,False
+2,c2_seq1050,NNYPRMCPICNFPVYI,-0.71,False
+2,c2_seq1051,ADENDNHEGCNWPVNC,-0.06,False
+2,c2_seq1052,NQYRREPRGCRSPVWK,-0.18,False
+2,c2_seq1053,GMGWYQHFIDCMPVME, 0.39,False
+2,c2_seq1054,HHEDYSSHGDRHPVAE, 0.34,False
+2,c2_seq1055,WFYIRFWNGCMWPVDH, 0.63,False

package/files/tests/100_3_clustests_empty_vals.csv

@@ -0,0 +1,100 @@
+cluster,sequence_id,sequence,activity,is_cliff
+0,c0_seq89,KSKMMIFNTAENMYIM, 3.51,False
+0,c0_seq90,NLTMMHQQTAEALAMM, 3.00,False
+0,c0_seq91,RWTGMIQQTAVAMYPC, 2.84,False
+0,c0_seq92,, 2.80,False
+0,c0_seq93,CKKGMIQCTAGNLYAK, 3.30,False
+0,c0_seq94,DHRMMIFQTAGNLYSQ, 3.68,False
+0,c0_seq95,DLKMMHQNTPGNMAQD, 4.93,True
+0,c0_seq96,DLKMMHQNTAGNMAQD, 1.19,True
+0,c0_seq97,KLKMMHFQTAGNLAQH, 3.26,False
+0,c0_seq98,WIRMMHFCTAGAMAGH, 2.70,False
+0,c0_seq99,TNTMMHQCTAVALAQR, 2.16,False
+0,c0_seq100,VHTMMIFQTAEALYKY, 2.58,False
+0,c0_seq101,FGTGMIFNTAGNMYMT, 3.28,False
+0,c0_seq102,MVKGMHQQTAENMYDV, 3.41,False
+0,c0_seq103,RMTGMIQCTAGALAKC, 2.49,False
+0,c0_seq104,KMRMMHFNTAENMYLD, 3.43,False
+0,c0_seq105,CRTMMIQNTAENLYFM, 3.06,False
+0,c0_seq106,KSTGMIQCTAGAMYGT, 2.68,False
+0,c0_seq107,VFTMMHFNTAEAMYHG, 2.92,False
+0,c0_seq108,YPRMMIQCTAGNLAEE, 2.99,False
+0,c0_seq109,LETMMHQQTAGNMYTN, 3.56,False
+0,c0_seq110,SDKGMIFNTAENMYHS, 3.67,False
+0,c0_seq111,SSRMMHQNTAVALAHR, 2.93,False
+0,c0_seq112,QATGMIFNTAEAMYSV, 3.34,False
+0,c0_seq113,AQTGMHFNTAENMYFC, 2.56,False
+0,c0_seq114,, 3.47,False
+0,c0_seq115,WDTGMIFCTAGALYQI, 3.09,False
+0,c0_seq116,HLKMMIFQTAVNLYDG, 2.86,False
+0,c0_seq117,NNRGMIFNTAENLAGR, 2.67,False
+0,c0_seq118,CFRGMHQQTAENMALH, 2.86,False
+0,c0_seq119,PSKGMHQQTAVNMALD, 2.44,False
+0,c0_seq120,CGKMMIQNTAVALYSS, 2.85,False
+0,c0_seq121,WKRGMIQQTAVNLYVR, 3.70,False
+0,c0_seq122,AWRGMHFNTAEALACL, 3.10,False
+1,c1_seq639,PDNEWTKKNNWLATWK, 4.43,False
+1,c1_seq640,NCNEMTSWRNILAASQ, 4.41,False
+1,c1_seq641,QMNEWTSKNNTLATWE, 4.43,False
+1,c1_seq642,LRNEWTSKNCILGTYN, 4.42,False
+1,c1_seq643,ALNEWTSKRNNLGAWW, 4.41,False
+1,c1_seq644,PANEMTKWRNKLATKC, 4.44,False
+1,c1_seq645,CNNEWTKWRDLLAADF, 4.44,False
+1,c1_seq646,QTNEMTKKRCTLVWFE, 4.49,True
+1,c1_seq647,QTNEMTKKRCTLAWFE, 4.37,True
+1,c1_seq648,VVNEMTKKNDRLGADL, 4.43,False
+1,c1_seq649,PPNEMTSKRDYLGAEW, 4.41,False
+1,c1_seq650,EQNEMTSKNNGLGTHD, 4.43,False
+1,c1_seq651,WCNEWTSWNCILGANT, 4.43,False
+1,c1_seq652,TWNEMTKKNDDLAAYQ, 4.43,False
+1,c1_seq653,QQNEWTSKRDILGWSG, 4.43,False
+1,c1_seq654,TFNEMTSWRNCLGAWI, 4.45,False
+1,c1_seq655,CRNEWTSKRNNLGWYH, 4.42,False
+1,c1_seq656,VLNEMTKWRNVLGTPN, 4.43,False
+1,c1_seq657,IMNEWTKWNNMLGTEK, 4.43,False
+1,c1_seq658,DFNEWTKWNCYLGWWK, 4.44,False
+1,c1_seq659,HKNEMTKWNNMLGAEY, 4.44,False
+1,c1_seq660,RRNEWTSKRDALGWVT, 4.42,False
+1,c1_seq661,RENEWTKKRNYLAWQT, 4.42,False
+1,c1_seq662,RHNEMTKWRCDLGTKS, 4.43,False
+1,c1_seq663,SLNEMTSKNNALGTDH, 4.43,False
+1,c1_seq664,DFNEMTSWNNNLGWMY, 4.42,False
+1,c1_seq665,MGNEWTKWRDQLATKW, 4.42,False
+1,c1_seq666,ELNEMTKWRNFLATEK, 4.41,False
+1,c1_seq667,MQNEMTKWNNELAWQP, 4.45,False
+1,c1_seq668,GRNEWTSKNCFLGTAG, 4.44,False
+1,c1_seq669,FRNEWTSKRCHLGWEC, 4.40,False
+2,c2_seq1022,WCEFRRFYICPQPVFH, 1.18,False
+2,c2_seq1023,WWGFRGRYIDKEPVRS,-1.03,False
+2,c2_seq1024,GKESDAIGGDRRPVNA, 1.24,False
+2,c2_seq1025,MGYVYTEMGCLFPVQV, 0.69,False
+2,c2_seq1026,QKYLDCLWMDYRPVNH, 3.84,True
+2,c2_seq1027,QKYLDCLWGDYRPVNH,-2.81,True
+2,c2_seq1028,MFELDLTNIDWYPVMM, 0.60,False
+2,c2_seq1029,CSEYDASSICKCPVYV, 1.33,False
+2,c2_seq1030,FHECRYSSGDSSPVAW,-0.33,False
+2,c2_seq1031,QNEKRDLMGDLYPVCE, 0.63,False
+2,c2_seq1032,VHEQRTKTGDDTPVAS, 0.41,False
+2,c2_seq1033,FVEIYDRPGCCNPVAC,-0.92,False
+2,c2_seq1034,KFEEYCLIICNRPVPD,-0.71,False
+2,c2_seq1035,YSGARQELIDSEPVDD, 0.35,False
+2,c2_seq1036,HLEWRLEHGDYWPVIA, 0.87,False
+2,c2_seq1037,QFEWYAAPGDCGPVVW, 1.08,False
+2,c2_seq1038,VMYSYPNRIDGCPVEV, 1.53,False
+2,c2_seq1039,ECYYRQIDICATPVGV,-1.44,False
+2,c2_seq1040,SLGAYCKNICFSPVYT,-0.81,False
+2,c2_seq1041,SHECYVCWICMMPVYF,-0.18,False
+2,c2_seq1042,EHGIYHPWICQDPVHI, 0.57,False
+2,c2_seq1043,HVYAYSHEICTWPVQM, 0.16,False
+2,c2_seq1044,VMYRDSFLGDKSPVNF, 1.70,False
+2,c2_seq1045,ELGIYCPYGDMKPVVV, 0.79,False
+2,c2_seq1046,RWESRRYKGCDRPVIV, 1.82,False
+2,c2_seq1047,SSYTDSLSGDNHPVYQ, 0.47,False
+2,c2_seq1048,LKYARSDCIDGIPVYH, 0.89,False
+2,c2_seq1049,WDYYDKAHIDIGPVCQ, 0.65,False
+2,c2_seq1050,NNYPRMCPICNFPVYI,-0.71,False
+2,c2_seq1051,ADENDNHEGCNWPVNC,-0.06,False
+2,c2_seq1052,NQYRREPRGCRSPVWK,-0.18,False
+2,c2_seq1053,GMGWYQHFIDCMPVME, 0.39,False
+2,c2_seq1054,HHEDYSSHGDRHPVAE, 0.34,False
+2,c2_seq1055,WFYIRFWNGCMWPVDH, 0.63,False