A0A077ZLL1_TRITR Loading...

Bax1-I domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLL1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M79.1Confident87.5Confident199 Ų199114 Ų11498%0.9859%0.594SS**  0-55.10-159.6175-85.500112.2R3 T4 V5M1-R3 PolarHBondContact O-N 3.09Å; M1-T4 WeakPolarHBondContact O-CB 3.38Å; M1-T4 PolarHBondContact O-N 2.93Å; M1-V5 PolarHBondContact O-N 3.15Å
2V88.4Confident87.1Confident113 Ų113115.2 Ų115.269%0.68559%0.592SS**Hα-helixtrans-57.2-43.6178.6177.70000113.5T4 V5 L6V2-T4 VanDerWaalsContact C-N 3.35Å; V2-T4 PolarHBondContact O-N 3.26Å; V2-V5 PolarHBondContact O-N 3.43Å; V2-V5 VanDerWaalsContact O-N 3.17Å; V2-L6 HydrophobicContact CG1-CD1 4.28Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 3.37Å
3R89.2Confident86.2Confident206 Ų206114.8 Ų114.878%0.77760%0.597SS**Hα-helixtrans-58-44.6176.5-68.8-175.4-176.5-111.12.4112.6M1 V5 L6 D7M1-R3 PolarHBondContact O-N 3.09Å; R3-V5 VanDerWaalsContact C-N 3.29Å; R3-V5 PolarHBondContact O-N 3.47Å; R3-L6 CarbonylContact O-C 3.58Å; R3-L6 WeakPolarHBondContact O-CA 3.48Å; R3-L6 WeakPolarHBondContact O-CB 3.4Å; R3-L6 PolarHBondContact O-N 3.35Å; R3-D7 PolarHBondContact O-N 3.1Å; R3-D7 VanDerWaalsContact O-OD2 3.13Å
4T90.2Very high85.5Confident83 Ų83114.3 Ų114.351%0.50960%0.596SS.*Hα-helixtrans-60-38.9176.9-390000112.4M1 V2 D7 L8M1-T4 WeakPolarHBondContact O-CB 3.38Å; M1-T4 PolarHBondContact O-N 2.93Å; V2-T4 VanDerWaalsContact C-N 3.35Å; V2-T4 PolarHBondContact O-N 3.26Å; T4-D7 PolarHBondContact O-N 3.36Å; T4-L8 WeakPolarHBondContact O-CG 3.37Å; T4-L8 PolarHBondContact O-N 3.17Å
5V89.6Confident84.7Confident76 Ų76111.7 Ų111.746%0.46159%0.587SS.*Hα-helixtrans-66.2-40.5175.4176.10000110.8M1 V2 R3 L8 M9M1-V5 PolarHBondContact O-N 3.15Å; V2-V5 PolarHBondContact O-N 3.43Å; V2-V5 VanDerWaalsContact O-N 3.17Å; R3-V5 VanDerWaalsContact C-N 3.29Å; R3-V5 PolarHBondContact O-N 3.47Å; V5-L8 PolarHBondContact O-N 3.49Å; V5-M9 WeakPolarHBondContact O-CB 3.33Å; V5-M9 VanDerWaalsContact O-CG 3.23Å; V5-M9 WeakPolarHBondContact O-CG 3.45Å; V5-M9 PolarHBondContact O-N 3.37Å
6L92.4Very high83.2Confident93 Ų93108.6 Ų108.649%0.48758%0.578SS.*Hα-helixtrans-63.9-41.5174.6-65.3171.2000111.6V2 R3 M9 Q10V2-L6 HydrophobicContact CG1-CD1 4.28Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 3.37Å; R3-L6 CarbonylContact O-C 3.58Å; R3-L6 WeakPolarHBondContact O-CA 3.48Å; R3-L6 WeakPolarHBondContact O-CB 3.4Å; R3-L6 PolarHBondContact O-N 3.35Å; L6-M9 WeakPolarHBondContact O-CB 3.44Å; L6-M9 PolarHBondContact O-N 3.08Å; L6-Q10 WeakPolarHBondContact O-CB 3.48Å; L6-Q10 VanDerWaalsContact O-CG 3.29Å; L6-Q10 WeakPolarHBondContact O-CG 3.2Å; L6-Q10 PolarHBondContact O-N 2.9Å
7D91.8Very high82.1Confident96 Ų96108.2 Ų108.251%0.51358%0.576SS.*Hα-helixtrans-65.3-39.5177.4-60.8-33.9000111.5R3 T4 Q10 G11R3-D7 PolarHBondContact O-N 3.1Å; R3-D7 VanDerWaalsContact O-OD2 3.13Å; T4-D7 PolarHBondContact O-N 3.36Å; D7-Q10 PolarHBondContact O-N 3.38Å; D7-G11 PolarHBondContact O-N 2.9Å
8L86.5Confident81.3Confident101 Ų101110.8 Ų110.853%0.52958%0.584SS.*Hα-helixtrans-63.6-46.1172.5-73174.7000111.2T4 V5 Q10 G11 F12T4-L8 WeakPolarHBondContact O-CG 3.37Å; T4-L8 PolarHBondContact O-N 3.17Å; V5-L8 PolarHBondContact O-N 3.49Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.39Å; L8-G11 PolarHBondContact O-N 2.71Å; L8-G11 VanDerWaalsContact O-N 3.15Å; L8-F12 HydrophobicContact CB-CD2 4.45Å; L8-F12 HydrophobicContact CB-CE2 4.39Å; L8-F12 WeakPolarHBondContact O-CD2 3.35Å; L8-F12 PolarHBondContact O-N 3.02Å
9M88Confident80.5Confident119 Ų119114.3 Ų114.359%0.58659%0.594SS**Hα-helixtrans-58.1-43.2176.1-73.2-74.5144.900111.4V5 L6 V13V5-M9 WeakPolarHBondContact O-CB 3.33Å; V5-M9 VanDerWaalsContact O-CG 3.23Å; V5-M9 WeakPolarHBondContact O-CG 3.45Å; V5-M9 PolarHBondContact O-N 3.37Å; L6-M9 WeakPolarHBondContact O-CB 3.44Å; L6-M9 PolarHBondContact O-N 3.08Å; M9-V13 VanDerWaalsContact O-CG2 3.27Å; M9-V13 WeakPolarHBondContact O-CG2 3.06Å; M9-V13 PolarHBondContact O-N 3.32Å
10Q82.4Confident79.9Confident128 Ų128112.4 Ų112.460%0.59858%0.583SS**Hα-helixtrans-65.3-41.9174.9-7117512.700112L6 D7 L8 V13 N14L6-Q10 WeakPolarHBondContact O-CB 3.48Å; L6-Q10 VanDerWaalsContact O-CG 3.29Å; L6-Q10 WeakPolarHBondContact O-CG 3.2Å; L6-Q10 PolarHBondContact O-N 2.9Å; D7-Q10 PolarHBondContact O-N 3.38Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.39Å; Q10-V13 PolarHBondContact O-N 2.84Å; Q10-N14 WeakPolarHBondContact O-CB 3.33Å; Q10-N14 PolarHBondContact O-N 3.15Å
11G84.6Confident79.6Confident40 Ų40113.7 Ų113.741%0.41259%0.587SS.*Hα-helixtrans-62-44.2176.400000112.8D7 L8 N14 T15D7-G11 PolarHBondContact O-N 2.9Å; L8-G11 PolarHBondContact O-N 2.71Å; L8-G11 VanDerWaalsContact O-N 3.15Å; G11-N14 PolarHBondContact O-N 3.4Å; G11-T15 WeakPolarHBondContact O-CB 3.5Å; G11-T15 PolarHBondContact O-N 3.42Å
12F82.5Confident79.6Confident128 Ų128112 Ų11256%0.56157%0.574SS**Hα-helixtrans-64-40.7174.6-79.5-67.6000112.3L8 S16L8-F12 HydrophobicContact CB-CD2 4.45Å; L8-F12 HydrophobicContact CB-CE2 4.39Å; L8-F12 WeakPolarHBondContact O-CD2 3.35Å; L8-F12 PolarHBondContact O-N 3.02Å; F12-S16 WeakPolarHBondContact O-CB 3.29Å; F12-S16 PolarHBondContact O-N 2.93Å; F12-S16 VanDerWaalsContact O-N 3.08Å; F12-S16 PolarHBondContact O-OG 3.4Å
13V76.5Confident79.2Confident110 Ų110111 Ų11167%0.66757%0.57SS**Hα-helixtrans-63.2-45.6175.6167.40000110.6M9 Q10 S16 D17M9-V13 VanDerWaalsContact O-CG2 3.27Å; M9-V13 WeakPolarHBondContact O-CG2 3.06Å; M9-V13 PolarHBondContact O-N 3.32Å; Q10-V13 PolarHBondContact O-N 2.84Å; V13-S16 PolarHBondContact O-N 2.82Å; V13-D17 PolarHBondContact O-N 2.87Å
14N76Confident79Confident108 Ų108104.2 Ų104.258%0.57855%0.551SS**Hα-helixtrans-69.7-36.8-177.9-148.830.3000112.4Q10 G11 S16Q10-N14 WeakPolarHBondContact O-CB 3.33Å; Q10-N14 PolarHBondContact O-N 3.15Å; G11-N14 PolarHBondContact O-N 3.4Å; N14-S16 VanDerWaalsContact C-N 3.34Å
15T72.7Confident78.5Confident76 Ų76103.4 Ų103.447%0.46654%0.541SS..Hα-helixtrans-69.8-32.3176.6-145.40000112.3G11 D17 Q18 K19G11-T15 WeakPolarHBondContact O-CB 3.5Å; G11-T15 PolarHBondContact O-N 3.42Å; T15-D17 VanDerWaalsContact C-N 3.34Å; T15-D17 PolarHBondContact O-N 3.38Å; T15-Q18 PolarHBondContact O-N 2.85Å; T15-K19 WeakPolarHBondContact O-CB 3.38Å; T15-K19 PolarHBondContact O-N 3.33Å; T15-K19 VanDerWaalsContact O-N 3.09Å
16S61.6Low78.3Confident62 Ų62102 Ų10243%0.43454%0.537SS..Hα-helixtrans-69-32.2179.8-61.50000112.6F12 V13 N14 H25F12-S16 WeakPolarHBondContact O-CB 3.29Å; F12-S16 PolarHBondContact O-N 2.93Å; F12-S16 VanDerWaalsContact O-N 3.08Å; F12-S16 PolarHBondContact O-OG 3.4Å; V13-S16 PolarHBondContact O-N 2.82Å; N14-S16 VanDerWaalsContact C-N 3.34Å; S16-H25 PolarHBondContact O-CE1 3.43Å; S16-H25 PolarHBondContact O-NE2 2.92Å; S16-H25 VanDerWaalsContact O-NE2 3.1Å
17D64.9Low78Confident102 Ų102103.4 Ų103.455%0.54554%0.541SS..Hα-helixtrans-68.9-39.2175.4-156.1-76.3000111.3V13 T15V13-D17 PolarHBondContact O-N 2.87Å; T15-D17 VanDerWaalsContact C-N 3.34Å; T15-D17 PolarHBondContact O-N 3.38Å
18Q66.9Low77.8Confident155 Ų155102.1 Ų102.172%0.72453%0.534SS*.Hα-helixtrans-77.7-35.6-176.8-66.2-171.4-4.100114.3T15 I20T15-Q18 PolarHBondContact O-N 2.85Å; Q18-I20 PolarHBondContact O-N 3.04Å
19K67.2Low77.8Confident177 Ų177107.2 Ų107.277%0.7755%0.547SS*.Hα-helixtrans-78.7-16.2-170.4-172.1163.3-177.4-71.50114.4T15T15-K19 WeakPolarHBondContact O-CB 3.38Å; T15-K19 PolarHBondContact O-N 3.33Å; T15-K19 VanDerWaalsContact O-N 3.09Å
20I67.9Low77.7Confident75 Ų75110.5 Ų110.539%0.38555%0.552SS.*SBendtrans-125.6131.6-173.6-56.7-103.5000108.1Q18 K22 V24 H25Q18-I20 PolarHBondContact O-N 3.04Å; I20-K22 PolarHBondContact O-N 3.2Å; I20-V24 HydrophobicContact CG2-CB 4.33Å; I20-V24 HydrophobicContact CG2-CG1 4.3Å; I20-H25 WeakPolarHBondContact CB-CE1 3.49Å; I20-H25 WeakPolarHBondContact CB-NE2 3.46Å; I20-H25 VanDerWaalsContact CG2-CD2 3.48Å; I20-H25 WeakPolarHBondContact CG2-CD2 3.43Å; I20-H25 WeakPolarHBondContact CG2-CE1 3.48Å; I20-H25 WeakPolarHBondContact CG2-ND1 3.17Å; I20-H25 WeakPolarHBondContact CG2-NE2 3.3Å; I20-H25 PolarHBondContact O-CD2 2.87Å; I20-H25 PolarHBondContact O-NE2 2.92Å
21E74.1Confident78Confident140 Ų140107.6 Ų107.665%0.65454%0.543SS*.  trans-57.8130.6-178.9-63.9-179.8170.400111.5P23 V24 H25E21-P23 VanDerWaalsContact C-N 3.31Å; E21-P23 HydrophobicContact CB-CG 4.2Å; E21-P23 VanDerWaalsContact O-N 3.15Å; E21-V24 HydrophobicContact CB-CB 4.46Å; E21-V24 HydrophobicContact CB-CG2 4.1Å; E21-V24 WeakPolarHBondContact O-CB 3.27Å; E21-V24 PolarHBondContact O-N 3.17Å; E21-H25 PolarHBondContact O-N 3.41Å; E21-H25 VanDerWaalsContact O-N 3.15Å
22K78Confident78.3Confident165 Ų165112.4 Ų112.472%0.71755%0.55SS*.Hα-helixtrans-43.6-44.5177.6-61.7-175.9179.7-179.30114.7I20 A26I20-K22 PolarHBondContact O-N 3.2Å; K22-A26 PolarHBondContact O-N 3.47Å
23P81.2Confident78.7Confident91 Ų91108 Ų10859%0.59154%0.54SS*.Hα-helixtrans-66-37.2177.324.2-35.2000113.8E21 A26 H27E21-P23 VanDerWaalsContact C-N 3.31Å; E21-P23 HydrophobicContact CB-CG 4.2Å; E21-P23 VanDerWaalsContact O-N 3.15Å; P23-A26 PolarHBondContact O-N 3.27Å; P23-H27 PolarHBondContact O-N 3.2Å; P23-H27 VanDerWaalsContact O-N 3.14Å
24V83.2Confident79.2Confident63 Ų63104.6 Ų104.638%0.38252%0.521SS..Hα-helixtrans-67.3-45.5-178.91770000110.1I20 E21 A26 H27 L28I20-V24 HydrophobicContact CG2-CB 4.33Å; I20-V24 HydrophobicContact CG2-CG1 4.3Å; E21-V24 HydrophobicContact CB-CB 4.46Å; E21-V24 HydrophobicContact CB-CG2 4.1Å; E21-V24 WeakPolarHBondContact O-CB 3.27Å; E21-V24 PolarHBondContact O-N 3.17Å; V24-A26 VanDerWaalsContact C-N 3.3Å; V24-A26 PolarHBondContact O-N 3.17Å; V24-H27 PolarHBondContact O-N 3.03Å; V24-H27 VanDerWaalsContact O-N 3.17Å; V24-L28 HydrophobicContact CG1-CD1 3.44Å; V24-L28 VanDerWaalsContact CG1-CD1 3.44Å; V24-L28 WeakPolarHBondContact O-CD1 3.31Å; V24-L28 PolarHBondContact O-N 3.14Å
25H80.8Confident79.9Confident66 Ų66103.7 Ų103.731%0.30652%0.516SS..Hα-helixtrans-54-44.7172.5-81.8-56.2000113.2S16 I20 E21 H27 L28 R29S16-H25 PolarHBondContact O-CE1 3.43Å; S16-H25 PolarHBondContact O-NE2 2.92Å; S16-H25 VanDerWaalsContact O-NE2 3.1Å; I20-H25 WeakPolarHBondContact CB-CE1 3.49Å; I20-H25 WeakPolarHBondContact CB-NE2 3.46Å; I20-H25 VanDerWaalsContact CG2-CD2 3.48Å; I20-H25 WeakPolarHBondContact CG2-CD2 3.43Å; I20-H25 WeakPolarHBondContact CG2-CE1 3.48Å; I20-H25 WeakPolarHBondContact CG2-ND1 3.17Å; I20-H25 WeakPolarHBondContact CG2-NE2 3.3Å; I20-H25 PolarHBondContact O-CD2 2.87Å; I20-H25 PolarHBondContact O-NE2 2.92Å; E21-H25 PolarHBondContact O-N 3.41Å; E21-H25 VanDerWaalsContact O-N 3.15Å; H25-H27 VanDerWaalsContact C-N 3.33Å; H25-H27 PolarHBondContact O-N 3.37Å; H25-L28 PolarHBondContact O-N 3.34Å; H25-R29 VanDerWaalsContact O-CB 3.3Å; H25-R29 WeakPolarHBondContact O-CB 3.23Å; H25-R29 PolarHBondContact O-N 3.33Å
26A85.3Confident80.9Confident46 Ų46103.3 Ų103.338%0.3852%0.517SS..Hα-helixtrans-64.4-38.9-179.700000111.8K22 P23 V24 R30K22-A26 PolarHBondContact O-N 3.47Å; P23-A26 PolarHBondContact O-N 3.27Å; V24-A26 VanDerWaalsContact C-N 3.3Å; V24-A26 PolarHBondContact O-N 3.17Å; A26-R30 WeakPolarHBondContact O-CG 3.37Å; A26-R30 PolarHBondContact O-N 3.19Å
27H86.8Confident82.4Confident123 Ų123101.9 Ų101.957%0.56951%0.508SS*.Hα-helixtrans-67.6-49.2174.8-178.871000111.9P23 V24 H25 R29 R30 V31P23-H27 PolarHBondContact O-N 3.2Å; P23-H27 VanDerWaalsContact O-N 3.14Å; V24-H27 PolarHBondContact O-N 3.03Å; V24-H27 VanDerWaalsContact O-N 3.17Å; H25-H27 VanDerWaalsContact C-N 3.33Å; H25-H27 PolarHBondContact O-N 3.37Å; H27-R29 VanDerWaalsContact C-N 3.33Å; H27-R29 PolarHBondContact O-N 3.11Å; H27-R30 PolarHBondContact O-N 3.37Å; H27-V31 PolarHBondContact O-N 2.77Å; H27-V31 VanDerWaalsContact O-N 3.11Å
28L86.5Confident83.6Confident70 Ų7097.8 Ų97.837%0.36649%0.487SS..Hα-helixtrans-56.3-47.7176.6-91.996.9000111.1V24 H25 R30 V31 Y32V24-L28 HydrophobicContact CG1-CD1 3.44Å; V24-L28 VanDerWaalsContact CG1-CD1 3.44Å; V24-L28 WeakPolarHBondContact O-CD1 3.31Å; V24-L28 PolarHBondContact O-N 3.14Å; H25-L28 PolarHBondContact O-N 3.34Å; L28-R30 PolarHBondContact O-N 3.38Å; L28-V31 PolarHBondContact O-N 2.96Å; L28-Y32 HydrophobicContact CB-CD2 3.91Å; L28-Y32 HydrophobicContact CB-CE2 4.24Å; L28-Y32 HydrophobicContact CD2-CD2 3.86Å; L28-Y32 HydrophobicContact CD2-CE2 3.38Å; L28-Y32 HydrophobicContact CG-CD2 3.97Å; L28-Y32 HydrophobicContact CG-CE2 3.78Å; L28-Y32 VanDerWaalsContact O-CB 3.31Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 VanDerWaalsContact O-CD2 3.31Å; L28-Y32 WeakPolarHBondContact O-CD2 3.28Å; L28-Y32 PolarHBondContact O-N 3.18Å
29R87.1Confident84.8Confident208 Ų20896.2 Ų96.279%0.78548%0.482SS*.Hα-helixtrans-57.3-38-178.9-174.7174-179.9174.70.7112.5H25 H27 G33H25-R29 VanDerWaalsContact O-CB 3.3Å; H25-R29 WeakPolarHBondContact O-CB 3.23Å; H25-R29 PolarHBondContact O-N 3.33Å; H27-R29 VanDerWaalsContact C-N 3.33Å; H27-R29 PolarHBondContact O-N 3.11Å; R29-G33 WeakPolarHBondContact O-CA 3.31Å; R29-G33 PolarHBondContact O-N 3.22Å
30R85.5Confident86.1Confident187 Ų18792.8 Ų92.871%0.70648%0.475SS*.Hα-helixtrans-69.1-48.1177.1-69174.4-173.8175.73.6111.6A26 H27 L28 S34A26-R30 WeakPolarHBondContact O-CG 3.37Å; A26-R30 PolarHBondContact O-N 3.19Å; H27-R30 PolarHBondContact O-N 3.37Å; L28-R30 PolarHBondContact O-N 3.38Å; R30-S34 PolarHBondContact O-N 3.05Å
31V88.2Confident87.2Confident67 Ų6789.9 Ų89.941%0.40646%0.463SS..Hα-helixtrans-69.5-50.6-178179.10000111.3H27 L28 G33 S34 L35H27-V31 PolarHBondContact O-N 2.77Å; H27-V31 VanDerWaalsContact O-N 3.11Å; L28-V31 PolarHBondContact O-N 2.96Å; V31-G33 VanDerWaalsContact C-N 3.3Å; V31-G33 PolarHBondContact O-N 3.25Å; V31-S34 PolarHBondContact O-N 2.99Å; V31-S34 VanDerWaalsContact O-N 3.15Å; V31-S34 PolarHBondContact O-OG 3.17Å; V31-L35 WeakPolarHBondContact O-CB 3.41Å; V31-L35 PolarHBondContact O-N 3.41Å
32Y91.2Very high87.9Confident142 Ų14284.3 Ų84.356%0.55744%0.44SS*.Hα-helixtrans-65.5-32.2177.1-79.3-81000112.7L28 L35 S36L28-Y32 HydrophobicContact CB-CD2 3.91Å; L28-Y32 HydrophobicContact CB-CE2 4.24Å; L28-Y32 HydrophobicContact CD2-CD2 3.86Å; L28-Y32 HydrophobicContact CD2-CE2 3.38Å; L28-Y32 HydrophobicContact CG-CD2 3.97Å; L28-Y32 HydrophobicContact CG-CE2 3.78Å; L28-Y32 VanDerWaalsContact O-CB 3.31Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 VanDerWaalsContact O-CD2 3.31Å; L28-Y32 WeakPolarHBondContact O-CD2 3.28Å; L28-Y32 PolarHBondContact O-N 3.18Å; Y32-L35 HydrophobicContact CD1-CD2 4.38Å; Y32-L35 PolarHBondContact O-N 3.13Å; Y32-S36 VanDerWaalsContact O-CB 3.28Å; Y32-S36 WeakPolarHBondContact O-CB 3.42Å; Y32-S36 PolarHBondContact O-N 3.15Å; Y32-S36 PolarHBondContact O-OG 2.8Å
33G91.3Very high88.4Confident34 Ų3479.2 Ų79.235%0.35143%0.429SS..Hα-helixtrans-60.9-47.5171.200000111R29 V31 S36 A37R29-G33 WeakPolarHBondContact O-CA 3.31Å; R29-G33 PolarHBondContact O-N 3.22Å; V31-G33 VanDerWaalsContact C-N 3.3Å; V31-G33 PolarHBondContact O-N 3.25Å; G33-S36 PolarHBondContact O-OG 3.12Å; G33-S36 VanDerWaalsContact O-OG 3.12Å; G33-A37 WeakPolarHBondContact O-CB 3.45Å; G33-A37 PolarHBondContact O-N 2.84Å; G33-A37 VanDerWaalsContact O-N 3.12Å
34S87.7Confident88.7Confident39 Ų3977.4 Ų77.427%0.27342%0.422SS..Hα-helixtrans-65.7-40176.876.30000112.7R30 V31 S38R30-S34 PolarHBondContact O-N 3.05Å; V31-S34 PolarHBondContact O-N 2.99Å; V31-S34 VanDerWaalsContact O-N 3.15Å; V31-S34 PolarHBondContact O-OG 3.17Å; S34-S38 WeakPolarHBondContact O-CB 3.4Å; S34-S38 PolarHBondContact O-N 2.98Å
35L89.7Confident88.8Confident90 Ų9075 Ų7547%0.47141%0.409SS..Hα-helixtrans-66.5-48.7180-178.663.7000111.5V31 Y32 A37 S38 M39V31-L35 WeakPolarHBondContact O-CB 3.41Å; V31-L35 PolarHBondContact O-N 3.41Å; Y32-L35 HydrophobicContact CD1-CD2 4.38Å; Y32-L35 PolarHBondContact O-N 3.13Å; L35-A37 PolarHBondContact O-N 2.8Å; L35-S38 PolarHBondContact O-N 2.72Å; L35-S38 PolarHBondContact O-OG 3.15Å; L35-M39 PolarHBondContact O-N 3.06Å
36S94.9Very high88.7Confident68 Ų6873 Ų7348%0.47641%0.405SS..Hα-helixtrans-64.2-41.3-179.9580000111.7Y32 G33 M39 V40Y32-S36 VanDerWaalsContact O-CB 3.28Å; Y32-S36 WeakPolarHBondContact O-CB 3.42Å; Y32-S36 PolarHBondContact O-N 3.15Å; Y32-S36 PolarHBondContact O-OG 2.8Å; G33-S36 PolarHBondContact O-OG 3.12Å; G33-S36 VanDerWaalsContact O-OG 3.12Å; S36-M39 WeakPolarHBondContact O-CB 3.38Å; S36-M39 PolarHBondContact O-N 2.84Å; S36-V40 WeakPolarHBondContact O-CG2 3.45Å; S36-V40 PolarHBondContact O-N 3.4Å
37A92.4Very high88.4Confident32 Ų3278.6 Ų78.626%0.26442%0.421SS..Hα-helixtrans-65-39173.700000112.2G33 L35 M39 V40 A41 F86G33-A37 WeakPolarHBondContact O-CB 3.45Å; G33-A37 PolarHBondContact O-N 2.84Å; G33-A37 VanDerWaalsContact O-N 3.12Å; L35-A37 PolarHBondContact O-N 2.8Å; A37-M39 VanDerWaalsContact C-N 3.29Å; A37-M39 PolarHBondContact O-N 2.99Å; A37-V40 PolarHBondContact O-N 2.89Å; A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.1Å; A37-F86 HydrophobicContact CB-CE2 4.23Å; A37-F86 HydrophobicContact CB-CZ 3.54Å
38S90.1Very high87.7Confident15 Ų1576.9 Ų76.911%0.10542%0.419CS..Hα-helixtrans-64.1-34.6173.180.30000112.2S34 L35 A41 A42S34-S38 WeakPolarHBondContact O-CB 3.4Å; S34-S38 PolarHBondContact O-N 2.98Å; L35-S38 PolarHBondContact O-N 2.72Å; L35-S38 PolarHBondContact O-OG 3.15Å; S38-A41 PolarHBondContact O-N 3.48Å; S38-A42 VanDerWaalsContact O-CB 3.28Å; S38-A42 WeakPolarHBondContact O-CB 3.38Å; S38-A42 PolarHBondContact O-N 3.49Å
39M92.3Very high86.5Confident122 Ų12281.2 Ų81.260%0.60143%0.43SS*.Hα-helixtrans-67.2-43.3175.2-167.964.969.100111.6L35 S36 A37 A41 A42 A43L35-M39 PolarHBondContact O-N 3.06Å; S36-M39 WeakPolarHBondContact O-CB 3.38Å; S36-M39 PolarHBondContact O-N 2.84Å; A37-M39 VanDerWaalsContact C-N 3.29Å; A37-M39 PolarHBondContact O-N 2.99Å; M39-A41 VanDerWaalsContact C-N 3.33Å; M39-A42 PolarHBondContact O-N 3.39Å; M39-A43 WeakPolarHBondContact O-CB 3.5Å; M39-A43 PolarHBondContact O-N 3.38Å
40V93.6Very high85Confident105 Ų10575 Ų7564%0.63642%0.415SS*.Hα-helixtrans-62.9-42.3174.5172.60000110.6S36 A37 A43 A44S36-V40 WeakPolarHBondContact O-CG2 3.45Å; S36-V40 PolarHBondContact O-N 3.4Å; A37-V40 PolarHBondContact O-N 2.89Å; V40-A43 PolarHBondContact O-N 3.35Å; V40-A44 WeakPolarHBondContact O-CB 3.33Å; V40-A44 PolarHBondContact O-N 2.85Å
41A90.7Very high83.3Confident15 Ų1571.7 Ų71.712%0.12442%0.418CS..Hα-helixtrans-65.9-39.4175.800000112.7A37 S38 M39 A44 G45 M90A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.1Å; S38-A41 PolarHBondContact O-N 3.48Å; M39-A41 VanDerWaalsContact C-N 3.33Å; A41-A44 PolarHBondContact O-N 2.69Å; A41-G45 PolarHBondContact O-N 2.91Å; A41-M90 HydrophobicContact CB-CG 3.24Å; A41-M90 HydrophobicContact CB-SD 4.1Å
42A89.3Confident81.6Confident22 Ų2269.9 Ų69.918%0.18241%0.41CS..Hα-helixtrans-64.5-42.8174.300000111.4S38 M39 G45 A46 A93S38-A42 VanDerWaalsContact O-CB 3.28Å; S38-A42 WeakPolarHBondContact O-CB 3.38Å; S38-A42 PolarHBondContact O-N 3.49Å; M39-A42 PolarHBondContact O-N 3.39Å; A42-G45 PolarHBondContact O-N 3.32Å; A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 2.85Å; A42-A93 WeakPolarHBondContact CA-O 3.45Å; A42-A93 HydrophobicContact CB-CB 4.49Å; A42-A93 WeakPolarHBondContact CB-O 3.33Å
43A89Confident79.8Confident59 Ų5969.9 Ų69.949%0.48842%0.42SS..Hα-helixtrans-63.1-44.2174.900000111.6M39 V40 A46 F47M39-A43 WeakPolarHBondContact O-CB 3.5Å; M39-A43 PolarHBondContact O-N 3.38Å; V40-A43 PolarHBondContact O-N 3.35Å; A43-A46 PolarHBondContact O-N 3.2Å; A43-F47 WeakPolarHBondContact O-CB 3.42Å; A43-F47 PolarHBondContact O-N 3.48Å
44A88.2Confident77.8Confident52 Ų5275.2 Ų75.243%0.4344%0.439SS..Hα-helixtrans-60.8-44.6173.200000111.2V40 A41 A46 F47 V48V40-A44 WeakPolarHBondContact O-CB 3.33Å; V40-A44 PolarHBondContact O-N 2.85Å; A41-A44 PolarHBondContact O-N 2.69Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.91Å; A44-F47 PolarHBondContact O-N 3.12Å; A44-F47 VanDerWaalsContact O-N 3.15Å; A44-V48 VanDerWaalsContact O-CG2 3.29Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 3.42Å
45G84.3Confident76.1Confident12 Ų1278.1 Ų78.112%0.12444%0.444CS..Hα-helixtrans-62.1-36.5177.200000113.8A41 A42A41-G45 PolarHBondContact O-N 2.91Å; A42-G45 PolarHBondContact O-N 3.32Å
46A79.4Confident74.3Confident25 Ų2583 Ų8321%0.20746%0.461CS..Hα-helixtrans-73.5-35.2172.900000112.5A42 A43 A44A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 2.85Å; A43-A46 PolarHBondContact O-N 3.2Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.91Å
47F78.3Confident72.4Confident163 Ų16380.5 Ų80.572%0.71545%0.446SS*.Hα-helixtrans-76.4-30.7-179.8-170.8-93.5000113.1A43 A44 R49A43-F47 WeakPolarHBondContact O-CB 3.42Å; A43-F47 PolarHBondContact O-N 3.48Å; A44-F47 PolarHBondContact O-N 3.12Å; A44-F47 VanDerWaalsContact O-N 3.15Å; F47-R49 PolarHBondContact O-N 2.95Å
48V72.5Confident71.3Confident87 Ų8783.6 Ų83.653%0.52746%0.462SS..SBendtrans-66.274.4162.9-174.70000106.2A44 V50A44-V48 VanDerWaalsContact O-CG2 3.29Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 3.42Å; V48-V50 HydrophobicContact CG1-CG2 3.61Å; V48-V50 PolarHBondContact O-N 3.2Å
49R61Low70.5Confident161 Ų16188.8 Ų88.861%0.60849%0.487SS*.  trans-70.867.3172.8-156.9-165.6-48.7174.35.1104.6F47 P51F47-R49 PolarHBondContact O-N 2.95Å; R49-P51 VanDerWaalsContact O-CD 3.23Å; R49-P51 WeakPolarHBondContact O-CD 3.21Å; R49-P51 VanDerWaalsContact O-N 3.08Å
50V56.3Low69.6Low78 Ų7890.8 Ų90.847%0.47349%0.488SS..  trans-54.2124.8173.1-171.60000103.4V48 A52 L98V48-V50 HydrophobicContact CG1-CG2 3.61Å; V48-V50 PolarHBondContact O-N 3.2Å; V50-A52 HydrophobicContact CB-CB 3.9Å; V50-A52 HydrophobicContact CG1-CB 3.49Å; V50-A52 VanDerWaalsContact CG1-CB 3.49Å; V50-A52 PolarHBondContact O-N 3.3Å; V50-L98 HydrophobicContact CG2-CD1 4.2Å
51P49.8Very low68.7Low118 Ų11886.2 Ų86.277%0.76646%0.46SS*.  trans-68.541.4167.530.3-34.1000109.9R49 N53R49-P51 VanDerWaalsContact O-CD 3.23Å; R49-P51 WeakPolarHBondContact O-CD 3.21Å; R49-P51 VanDerWaalsContact O-N 3.08Å; P51-N53 PolarHBondContact O-N 3.48Å
52A51.9Low68.2Low28 Ų2890.3 Ų90.323%0.23148%0.48CS..  trans-76.967.9174.600000108V50 I54 W55V50-A52 HydrophobicContact CB-CB 3.9Å; V50-A52 HydrophobicContact CG1-CB 3.49Å; V50-A52 VanDerWaalsContact CG1-CB 3.49Å; V50-A52 PolarHBondContact O-N 3.3Å; A52-I54 HydrophobicContact CB-CB 4.28Å; A52-I54 PolarHBondContact O-N 2.91Å; A52-W55 HydrophobicContact CB-CB 4.26Å; A52-W55 HydrophobicContact CB-CG 4.48Å; A52-W55 PolarHBondContact O-N 2.91Å
53N52.4Low67.9Low143 Ų14394.1 Ų94.177%0.76550%0.497SS*.THydrogen-bonded Turntrans-49.3-13.8140.7-80.9-38.2000111.7P51P51-N53 PolarHBondContact O-N 3.48Å
54I49.5Very low67.6Low146 Ų14694.9 Ų94.975%0.74949%0.492SS*.THydrogen-bonded Turntrans-71.3-30.1173.9-48.8173.7000112.1A52 K56A52-I54 HydrophobicContact CB-CB 4.28Å; A52-I54 PolarHBondContact O-N 2.91Å; I54-K56 VanDerWaalsContact C-N 3.25Å; I54-K56 PolarHBondContact O-N 3.33Å
55W51.7Low67.3Low100 Ų10093.7 Ų93.738%0.37948%0.481SS..  trans-94.250176.4-79.555.8000111.1A52 G57 W60 S61 L64 L95A52-W55 HydrophobicContact CB-CB 4.26Å; A52-W55 HydrophobicContact CB-CG 4.48Å; A52-W55 PolarHBondContact O-N 2.91Å; W55-G57 PolarHBondContact O-N 3.24Å; W55-G57 VanDerWaalsContact O-N 3.09Å; W55-W60 HydrophobicContact CD2-CB 3.97Å; W55-W60 HydrophobicContact CE3-CB 3.48Å; W55-W60 VanDerWaalsContact CE3-CB 3.48Å; W55-W60 HydrophobicContact CH2-CB 3.62Å; W55-W60 HydrophobicContact CZ2-CB 4.04Å; W55-W60 HydrophobicContact CZ3-CB 3.35Å; W55-S61 VanDerWaalsContact CZ3-OG 3.28Å; W55-S61 WeakPolarHBondContact CZ3-OG 3.34Å; W55-L64 HydrophobicContact CH2-CD2 4.33Å; W55-L95 HydrophobicContact CZ3-CD1 4.41Å
56K53.2Low67.4Low192 Ų19296.7 Ų96.784%0.83549%0.493SS*.  trans-55.1-17.6159-87.4179.9172.7-177.80112.3I54 T58I54-K56 VanDerWaalsContact C-N 3.25Å; I54-K56 PolarHBondContact O-N 3.33Å; K56-T58 PolarHBondContact O-N 2.92Å
57G55.6Low67.7Low15 Ų1597.4 Ų97.416%0.15550%0.499CS..  trans-86.688.8170.400000111.6W55 I59 W60W55-G57 PolarHBondContact O-N 3.24Å; W55-G57 VanDerWaalsContact O-N 3.09Å; G57-I59 PolarHBondContact O-N 2.87Å; G57-W60 PolarHBondContact O-N 3.45Å
58T68.5Low68Low97 Ų9790.7 Ų90.760%0.59547%0.47SS*.Hα-helixtrans-45.3-28.6149.6179.30000110.9K56 W60 S61 L62K56-T58 PolarHBondContact O-N 2.92Å; T58-W60 PolarHBondContact O-N 3.24Å; T58-S61 PolarHBondContact O-N 2.81Å; T58-L62 VanDerWaalsContact O-CB 3.27Å; T58-L62 WeakPolarHBondContact O-CB 3.36Å; T58-L62 PolarHBondContact O-N 3.33Å
59I72.2Confident68.5Low124 Ų12490.6 Ų90.664%0.63647%0.466SS*.Hα-helixtrans-56.5-39.6171.8-57.2169.2000112.9G57 L62 L63G57-I59 PolarHBondContact O-N 2.87Å; I59-L62 PolarHBondContact O-N 3.27Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 PolarHBondContact O-N 3.47Å
60W74.4Confident69.6Low164 Ų16488.6 Ų88.662%0.62147%0.467SS*.Hα-helixtrans-70.2-39.8177.3-80.1101.6000111.4W55 G57 T58 L62 L63 L64W55-W60 HydrophobicContact CD2-CB 3.97Å; W55-W60 HydrophobicContact CE3-CB 3.48Å; W55-W60 VanDerWaalsContact CE3-CB 3.48Å; W55-W60 HydrophobicContact CH2-CB 3.62Å; W55-W60 HydrophobicContact CZ2-CB 4.04Å; W55-W60 HydrophobicContact CZ3-CB 3.35Å; G57-W60 PolarHBondContact O-N 3.45Å; T58-W60 PolarHBondContact O-N 3.24Å; W60-L62 VanDerWaalsContact C-N 3.32Å; W60-L63 PolarHBondContact O-N 2.87Å; W60-L64 VanDerWaalsContact O-CB 3.27Å; W60-L64 WeakPolarHBondContact O-CB 3.29Å; W60-L64 PolarHBondContact O-N 2.87Å
61S75.4Confident70.8Confident9 Ų988.8 Ų88.86%0.06347%0.465CS..Hα-helixtrans-66.9-38.8174.5-61.30000110.9W55 T58 S65 L95W55-S61 VanDerWaalsContact CZ3-OG 3.28Å; W55-S61 WeakPolarHBondContact CZ3-OG 3.34Å; T58-S61 PolarHBondContact O-N 2.81Å; S61-S65 WeakPolarHBondContact O-CB 3.4Å; S61-S65 PolarHBondContact O-N 3.41Å; S61-L95 VanDerWaalsContact O-CD2 3.31Å; S61-L95 WeakPolarHBondContact O-CD2 3.46Å
62L79.2Confident72.2Confident101 Ų10184.9 Ų84.953%0.52944%0.438SS..Hα-helixtrans-63.7-48.6174.8-17866.8000111.1T58 I59 W60 L64 S65 I66T58-L62 VanDerWaalsContact O-CB 3.27Å; T58-L62 WeakPolarHBondContact O-CB 3.36Å; T58-L62 PolarHBondContact O-N 3.33Å; I59-L62 PolarHBondContact O-N 3.27Å; W60-L62 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 3.1Å; L62-S65 WeakPolarHBondContact O-CB 3.44Å; L62-S65 PolarHBondContact O-N 3.15Å; L62-I66 HydrophobicContact CD1-CD1 4.21Å; L62-I66 HydrophobicContact CG-CD1 3.95Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.33Å
63L84.1Confident73.4Confident102 Ų10290.4 Ų90.453%0.53446%0.463SS..Hα-helixtrans-64.1-43.6-178.5-172.465000111.3I59 W60 S65 I66 A67I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 PolarHBondContact O-N 3.47Å; W60-L63 PolarHBondContact O-N 2.87Å; L63-S65 VanDerWaalsContact C-N 3.34Å; L63-I66 PolarHBondContact O-N 2.84Å; L63-A67 WeakPolarHBondContact O-CB 3.5Å; L63-A67 PolarHBondContact O-N 3.39Å
64L81.2Confident74.5Confident76 Ų7686.6 Ų86.640%0.39846%0.457SS..Hα-helixtrans-66.9-38.1176.4-17665.3000111.2W55 W60 L62 A67 L68 L95W55-L64 HydrophobicContact CH2-CD2 4.33Å; W60-L64 VanDerWaalsContact O-CB 3.27Å; W60-L64 WeakPolarHBondContact O-CB 3.29Å; W60-L64 PolarHBondContact O-N 2.87Å; L62-L64 PolarHBondContact O-N 3.1Å; L64-A67 PolarHBondContact O-N 2.8Å; L64-L68 HydrophobicContact CD1-CD1 3.74Å; L64-L68 HydrophobicContact CG-CD1 4.07Å; L64-L68 WeakPolarHBondContact O-CD1 3.04Å; L64-L68 PolarHBondContact O-N 2.85Å; L64-L95 HydrophobicContact CB-CD2 3.65Å; L64-L95 HydrophobicContact CD2-CD1 3.99Å; L64-L95 HydrophobicContact CD2-CD2 3.74Å; L64-L95 HydrophobicContact CD2-CG 4.45Å; L64-L95 HydrophobicContact CG-CD2 3.62Å
65S82.8Confident75.6Confident27 Ų2781 Ų8119%0.18943%0.43CS..Hα-helixtrans-61.3-46.3173.7-178.80000111.8S61 L62 L63 L68 L69 F92S61-S65 WeakPolarHBondContact O-CB 3.4Å; S61-S65 PolarHBondContact O-N 3.41Å; L62-S65 WeakPolarHBondContact O-CB 3.44Å; L62-S65 PolarHBondContact O-N 3.15Å; L63-S65 VanDerWaalsContact C-N 3.34Å; S65-L68 PolarHBondContact O-N 2.85Å; S65-L69 WeakPolarHBondContact O-CG 3.38Å; S65-L69 PolarHBondContact O-N 2.86Å; S65-F92 WeakPolarHBondContact OG-CD2 3.28Å; S65-F92 WeakPolarHBondContact OG-CE2 3.28Å
66I86.9Confident76Confident74 Ų7483.3 Ų83.338%0.37945%0.445SS..Hα-helixtrans-61.7-45.3174.7-68.1166000110.7L62 L63 L68 L69 L70L62-I66 HydrophobicContact CD1-CD1 4.21Å; L62-I66 HydrophobicContact CG-CD1 3.95Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.33Å; L63-I66 PolarHBondContact O-N 2.84Å; I66-L68 VanDerWaalsContact C-N 3.31Å; I66-L68 PolarHBondContact O-N 3.33Å; I66-L69 PolarHBondContact O-N 3.43Å; I66-L70 HydrophobicContact CG2-CD1 4.03Å; I66-L70 HydrophobicContact CG2-CG 4.31Å; I66-L70 WeakPolarHBondContact O-CG 3.45Å; I66-L70 PolarHBondContact O-N 2.93Å
67A85.8Confident76.5Confident40 Ų4082.1 Ų82.133%0.33144%0.442SS..Hα-helixtrans-59-43178.100000111.7L63 L64 L70 L71L63-A67 WeakPolarHBondContact O-CB 3.5Å; L63-A67 PolarHBondContact O-N 3.39Å; L64-A67 PolarHBondContact O-N 2.8Å; A67-L70 PolarHBondContact O-N 3.17Å; A67-L71 WeakPolarHBondContact O-CB 3.34Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 3.38Å
68L83.3Confident77Confident22 Ų2284.5 Ų84.512%0.11545%0.454CS..Hα-helixtrans-66.4-39.1176.3-91.966.9000112.1L64 S65 I66 L71 I72 Y88 G91 F92L64-L68 HydrophobicContact CD1-CD1 3.74Å; L64-L68 HydrophobicContact CG-CD1 4.07Å; L64-L68 WeakPolarHBondContact O-CD1 3.04Å; L64-L68 PolarHBondContact O-N 2.85Å; S65-L68 PolarHBondContact O-N 2.85Å; I66-L68 VanDerWaalsContact C-N 3.31Å; I66-L68 PolarHBondContact O-N 3.33Å; L68-L71 PolarHBondContact O-N 2.95Å; L68-I72 WeakPolarHBondContact O-CD1 3.33Å; L68-I72 WeakPolarHBondContact O-CG1 3.08Å; L68-I72 PolarHBondContact O-N 3.32Å; L68-Y88 WeakPolarHBondContact CD2-O 3.4Å; L68-G91 VanDerWaalsContact CD2-C 3.43Å; L68-F92 HydrophobicContact CB-CB 4.32Å; L68-F92 HydrophobicContact CD2-CB 3.94Å
69L83.3Confident76.6Confident85 Ų8590.8 Ų90.845%0.44547%0.467SS..Hα-helixtrans-63.6-41.5174.7-71.9172.7000112.1S65 I66 I72 N73 F92S65-L69 WeakPolarHBondContact O-CG 3.38Å; S65-L69 PolarHBondContact O-N 2.86Å; I66-L69 PolarHBondContact O-N 3.43Å; L69-I72 PolarHBondContact O-N 3.39Å; L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.34Å; L69-F92 HydrophobicContact CD1-CE2 4.1Å; L69-F92 HydrophobicContact CD2-CD2 4.25Å; L69-F92 HydrophobicContact CD2-CE2 3.98Å; L69-F92 HydrophobicContact CD2-CZ 4.39Å; L69-F92 HydrophobicContact CG-CD2 4.19Å; L69-F92 HydrophobicContact CG-CE2 3.97Å
70L84.8Confident76.4Confident119 Ų11992.8 Ų92.862%0.62347%0.473SS*.Hα-helixtrans-64.2-42175.1-68.4174.8000111.5I66 A67 I72 N73 G74I66-L70 HydrophobicContact CG2-CD1 4.03Å; I66-L70 HydrophobicContact CG2-CG 4.31Å; I66-L70 WeakPolarHBondContact O-CG 3.45Å; I66-L70 PolarHBondContact O-N 2.93Å; A67-L70 PolarHBondContact O-N 3.17Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.39Å; L70-N73 PolarHBondContact O-N 2.95Å; L70-G74 PolarHBondContact O-N 2.89Å
71L81.4Confident76.2Confident83 Ų8387.3 Ų87.344%0.43546%0.456SS..Hα-helixtrans-61.1-41.4174.4-74.7165.8000112A67 L68 T75 Y88A67-L71 WeakPolarHBondContact O-CB 3.34Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 3.38Å; L68-L71 PolarHBondContact O-N 2.95Å; L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 VanDerWaalsContact O-CG2 3.29Å; L71-T75 WeakPolarHBondContact O-CG2 3.49Å; L71-T75 PolarHBondContact O-N 3.34Å; L71-Y88 HydrophobicContact CD1-CD1 4.37Å; L71-Y88 HydrophobicContact CD1-CE1 4.17Å
72I78Confident76Confident36 Ų3693 Ų9319%0.18548%0.482CS..Hα-helixtrans-67.9-38.2177-68.6163.8000111.6L68 L69 L70 T75 L89L68-I72 WeakPolarHBondContact O-CD1 3.33Å; L68-I72 WeakPolarHBondContact O-CG1 3.08Å; L68-I72 PolarHBondContact O-N 3.32Å; L69-I72 PolarHBondContact O-N 3.39Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.39Å; I72-T75 WeakPolarHBondContact O-CG2 3.34Å; I72-L89 HydrophobicContact CD1-CB 4.49Å
73N77.8Confident75.9Confident144 Ų14496.5 Ų96.577%0.7749%0.492SS*.Hα-helixtrans-71.9-41.3179.5-168.5-87.9000111.8L69 L70 T75L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.34Å; L70-N73 PolarHBondContact O-N 2.95Å; N73-T75 PolarHBondContact O-N 2.95Å
74G74.9Confident75.8Confident62 Ų6295.7 Ų95.764%0.63949%0.488SS*.Hα-helixtrans-74.8-19.2-178.400000114.9L70 Q76L70-G74 PolarHBondContact O-N 2.89Å; G74-Q76 PolarHBondContact O-N 2.97Å
75T73.8Confident75.9Confident28 Ų2894.8 Ų94.817%0.17248%0.48CS..SBendtrans-82.7121.3-177.1-173.20000112.6L71 I72 N73 R85L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 VanDerWaalsContact O-CG2 3.29Å; L71-T75 WeakPolarHBondContact O-CG2 3.49Å; L71-T75 PolarHBondContact O-N 3.34Å; I72-T75 WeakPolarHBondContact O-CG2 3.34Å; N73-T75 PolarHBondContact O-N 2.95Å; T75-R85 HydrophobicContact CG2-CG 3.22Å; T75-R85 PolarHBondContact O-NH1 2.82Å
76Q60Low75.9Confident149 Ų14996.9 Ų96.970%0.69649%0.485SS*.  trans-61144.4-178.2-62-179.7-5900111.7G74 T78G74-Q76 PolarHBondContact O-N 2.97Å; Q76-T78 PolarHBondContact O-N 3.33Å
77H62.6Low75.8Confident168 Ų16897 Ų9778%0.77849%0.492SS*.  trans-7255.5-179.6-65.7-94.8000112.7R85H77-R85 PolarHBondContact CD2-NH1 2.87Å; H77-R85 VanDerWaalsContact CE1-CZ 3.45Å; H77-R85 PolarHBondContact CE1-NH1 3.23Å; H77-R85 PolarHBondContact CE1-NH2 3.45Å; H77-R85 PolarHBondContact ND1-NH1 3.49Å; H77-R85 PolarHBondContact NE2-NH1 3.27Å
78T65.9Low75.8Confident64 Ų6499.1 Ų99.139%0.39349%0.492SS..  trans-92.1143.5172.8-53.30000109.6Q76 E80 N81 E82Q76-T78 PolarHBondContact O-N 3.33Å; T78-E80 PolarHBondContact O-N 2.94Å; T78-N81 PolarHBondContact O-N 2.89Å; T78-E82 PolarHBondContact O-N 3.46Å; T78-E82 VanDerWaalsContact O-N 3.13Å
79R60.9Low75.9Confident230 Ų230101.1 Ų101.187%0.86850%0.503SS*.THydrogen-bonded Turntrans-54.9-34180-72.7-175.1-179.41791.9113.4
80E68.3Low76.1Confident166 Ų166100.8 Ų100.878%0.77650%0.5SS*.THydrogen-bonded Turntrans-70.5-35.1177.5-65.6-175.5100.900112.2T78T78-E80 PolarHBondContact O-N 2.94Å
81N68.9Low76.2Confident48 Ų4896.9 Ų96.926%0.25749%0.488SS..THydrogen-bonded Turntrans-82.9-10.7-179.8-65.9-20.5000113.2T78 K83 L84 R85T78-N81 PolarHBondContact O-N 2.89Å; N81-K83 VanDerWaalsContact C-N 3.26Å; N81-K83 PolarHBondContact O-N 2.87Å; N81-L84 WeakPolarHBondContact O-CB 3.35Å; N81-L84 PolarHBondContact O-N 3.41Å; N81-L84 VanDerWaalsContact O-N 3.1Å; N81-R85 WeakPolarHBondContact O-CG 3.27Å; N81-R85 PolarHBondContact O-N 3.36Å
82E72.8Confident76.5Confident129 Ų12995.9 Ų95.960%0.60348%0.48SS*.Hα-helixtrans-57.9-40.6177-171.9178.7108.800111.5T78 R85 F86T78-E82 PolarHBondContact O-N 3.46Å; T78-E82 VanDerWaalsContact O-N 3.13Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 2.89Å; E82-F86 WeakPolarHBondContact O-CB 3.5Å; E82-F86 PolarHBondContact O-N 3.28Å
83K76.9Confident77Confident174 Ų17494.8 Ų94.876%0.75748%0.477SS*.Hα-helixtrans-65.2-39.4176.2-64.7-177.3-177.3179.30112.1N81 F86 C87N81-K83 VanDerWaalsContact C-N 3.26Å; N81-K83 PolarHBondContact O-N 2.87Å; K83-F86 PolarHBondContact O-N 2.81Å; K83-C87 WeakPolarHBondContact O-CB 3.33Å; K83-C87 PolarHBondContact O-N 3.48Å
84L81.9Confident77.3Confident86 Ų8688.6 Ų88.645%0.4545%0.447SS..Hα-helixtrans-66-44.1175.9-70.8171.6000110.9N81 F86 C87 Y88N81-L84 WeakPolarHBondContact O-CB 3.35Å; N81-L84 PolarHBondContact O-N 3.41Å; N81-L84 VanDerWaalsContact O-N 3.1Å; L84-F86 VanDerWaalsContact C-N 3.3Å; L84-F86 PolarHBondContact O-N 2.79Å; L84-C87 WeakPolarHBondContact O-CB 3.48Å; L84-C87 PolarHBondContact O-N 2.87Å; L84-C87 VanDerWaalsContact O-N 3.1Å; L84-Y88 HydrophobicContact CB-CE2 4.16Å; L84-Y88 WeakPolarHBondContact O-CD2 3.2Å; L84-Y88 PolarHBondContact O-N 3.38Å
85R81.9Confident77.7Confident56 Ų5686.5 Ų86.521%0.21142%0.421CS..Hα-helixtrans-56.2-44.8172.4-75177.378.2141.9-2.6112.1T75 H77 N81 E82 C87 Y88 L89T75-R85 HydrophobicContact CG2-CG 3.22Å; T75-R85 PolarHBondContact O-NH1 2.82Å; H77-R85 PolarHBondContact CD2-NH1 2.87Å; H77-R85 VanDerWaalsContact CE1-CZ 3.45Å; H77-R85 PolarHBondContact CE1-NH1 3.23Å; H77-R85 PolarHBondContact CE1-NH2 3.45Å; H77-R85 PolarHBondContact ND1-NH1 3.49Å; H77-R85 PolarHBondContact NE2-NH1 3.27Å; N81-R85 WeakPolarHBondContact O-CG 3.27Å; N81-R85 PolarHBondContact O-N 3.36Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 2.89Å; R85-C87 VanDerWaalsContact C-N 3.33Å; R85-Y88 PolarHBondContact O-N 2.85Å; R85-L89 WeakPolarHBondContact O-CB 3.39Å; R85-L89 PolarHBondContact O-N 3.49Å
86F83.1Confident78.2Confident71 Ų7188.1 Ų88.131%0.31143%0.434SS..Hα-helixtrans-63.6-40176.6176.9-107.5000111.7A37 E82 K83 L84 L89 M90A37-F86 HydrophobicContact CB-CE2 4.23Å; A37-F86 HydrophobicContact CB-CZ 3.54Å; E82-F86 WeakPolarHBondContact O-CB 3.5Å; E82-F86 PolarHBondContact O-N 3.28Å; K83-F86 PolarHBondContact O-N 2.81Å; L84-F86 VanDerWaalsContact C-N 3.3Å; L84-F86 PolarHBondContact O-N 2.79Å; F86-L89 PolarHBondContact O-N 2.93Å; F86-M90 HydrophobicContact CE1-SD 4.33Å; F86-M90 HydrophobicContact CZ-SD 4.34Å; F86-M90 WeakPolarHBondContact O-CB 3.47Å; F86-M90 PolarHBondContact O-N 3.26Å
87C85.3Confident79.3Confident78 Ų7881.3 Ų81.353%0.52740%0.404SS..Hα-helixtrans-64.5-44.8174.5-168.20000112.3K83 L84 R85 L89 M90 G91K83-C87 WeakPolarHBondContact O-CB 3.33Å; K83-C87 PolarHBondContact O-N 3.48Å; L84-C87 WeakPolarHBondContact O-CB 3.48Å; L84-C87 PolarHBondContact O-N 2.87Å; L84-C87 VanDerWaalsContact O-N 3.1Å; R85-C87 VanDerWaalsContact C-N 3.33Å; C87-L89 VanDerWaalsContact C-N 3.32Å; C87-L89 PolarHBondContact O-N 2.87Å; C87-M90 WeakPolarHBondContact O-CB 3.35Å; C87-M90 PolarHBondContact O-N 2.99Å; C87-M90 VanDerWaalsContact O-N 3.15Å; C87-G91 PolarHBondContact O-N 3.45Å
88Y85.7Confident80.1Confident83 Ų8375.9 Ų75.933%0.32538%0.38SS..Hα-helixtrans-61.4-40.8173.6-65.1-55.6000111.8L68 L71 L84 R85 M90 G91 F92L68-Y88 WeakPolarHBondContact CD2-O 3.4Å; L71-Y88 HydrophobicContact CD1-CD1 4.37Å; L71-Y88 HydrophobicContact CD1-CE1 4.17Å; L84-Y88 HydrophobicContact CB-CE2 4.16Å; L84-Y88 WeakPolarHBondContact O-CD2 3.2Å; L84-Y88 PolarHBondContact O-N 3.38Å; R85-Y88 PolarHBondContact O-N 2.85Å; Y88-M90 VanDerWaalsContact C-N 3.32Å; Y88-M90 PolarHBondContact O-N 3.24Å; Y88-G91 PolarHBondContact O-N 2.88Å; Y88-F92 WeakPolarHBondContact O-CB 3.06Å; Y88-F92 PolarHBondContact O-N 3.33Å
89L85.9Confident80.7Confident65 Ų6575.6 Ų75.634%0.3438%0.381SS..Hα-helixtrans-61.9-41.2173.7-175.7152.2000111.3I72 R85 F86 C87 G91 F92 A93I72-L89 HydrophobicContact CD1-CB 4.49Å; R85-L89 WeakPolarHBondContact O-CB 3.39Å; R85-L89 PolarHBondContact O-N 3.49Å; F86-L89 PolarHBondContact O-N 2.93Å; C87-L89 VanDerWaalsContact C-N 3.32Å; C87-L89 PolarHBondContact O-N 2.87Å; L89-G91 VanDerWaalsContact C-N 3.34Å; L89-F92 PolarHBondContact O-N 3.43Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 2.79Å
90M87.2Confident81.4Confident78 Ų7867.6 Ų67.638%0.38436%0.357SS..Hα-helixtrans-65.7-37.8176.9-157.5168.496.100111.7A41 F86 C87 Y88 A93 G94A41-M90 HydrophobicContact CB-CG 3.24Å; A41-M90 HydrophobicContact CB-SD 4.1Å; F86-M90 HydrophobicContact CE1-SD 4.33Å; F86-M90 HydrophobicContact CZ-SD 4.34Å; F86-M90 WeakPolarHBondContact O-CB 3.47Å; F86-M90 PolarHBondContact O-N 3.26Å; C87-M90 WeakPolarHBondContact O-CB 3.35Å; C87-M90 PolarHBondContact O-N 2.99Å; C87-M90 VanDerWaalsContact O-N 3.15Å; Y88-M90 VanDerWaalsContact C-N 3.32Å; Y88-M90 PolarHBondContact O-N 3.24Å; M90-A93 PolarHBondContact O-N 2.97Å; M90-G94 PolarHBondContact O-N 3.23Å
91G87.3Confident81.7Confident36 Ų3660.7 Ų60.737%0.37133%0.331SS..Hα-helixtrans-63.6-42.2170.900000112.6L68 C87 Y88 L89 G94 L95L68-G91 VanDerWaalsContact CD2-C 3.43Å; C87-G91 PolarHBondContact O-N 3.45Å; Y88-G91 PolarHBondContact O-N 2.88Å; L89-G91 VanDerWaalsContact C-N 3.34Å; G91-G94 PolarHBondContact O-N 3.06Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 2.84Å
92F87.2Confident81.8Confident62 Ų6262.9 Ų62.927%0.27235%0.348SS..Hα-helixtrans-65.7-43.6176.6167.5-93.4000110.7S65 L68 L69 Y88 L89 L95 S96S65-F92 WeakPolarHBondContact OG-CD2 3.28Å; S65-F92 WeakPolarHBondContact OG-CE2 3.28Å; L68-F92 HydrophobicContact CB-CB 4.32Å; L68-F92 HydrophobicContact CD2-CB 3.94Å; L69-F92 HydrophobicContact CD1-CE2 4.1Å; L69-F92 HydrophobicContact CD2-CD2 4.25Å; L69-F92 HydrophobicContact CD2-CE2 3.98Å; L69-F92 HydrophobicContact CD2-CZ 4.39Å; L69-F92 HydrophobicContact CG-CD2 4.19Å; L69-F92 HydrophobicContact CG-CE2 3.97Å; Y88-F92 WeakPolarHBondContact O-CB 3.06Å; Y88-F92 PolarHBondContact O-N 3.33Å; L89-F92 PolarHBondContact O-N 3.43Å; F92-L95 PolarHBondContact O-N 3.48Å; F92-S96 WeakPolarHBondContact O-CB 3.23Å; F92-S96 PolarHBondContact O-N 2.9Å
93A88.6Confident81.9Confident13 Ų1361.7 Ų61.711%0.10735%0.345CS..Hα-helixtrans-64.1-43.4176.800000111.9A42 L89 M90 S96 G97A42-A93 WeakPolarHBondContact CA-O 3.45Å; A42-A93 HydrophobicContact CB-CB 4.49Å; A42-A93 WeakPolarHBondContact CB-O 3.33Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 2.79Å; M90-A93 PolarHBondContact O-N 2.97Å; A93-S96 PolarHBondContact O-N 3.27Å; A93-G97 PolarHBondContact O-N 3.04Å
94G85.2Confident81.7Confident15 Ų1556.5 Ų56.516%0.15533%0.325CS..Hα-helixtrans-60.6-43.8174.100000112.4M90 G91 G97 L98M90-G94 PolarHBondContact O-N 3.23Å; G91-G94 PolarHBondContact O-N 3.06Å; G94-G97 PolarHBondContact O-N 3.29Å; G94-L98 PolarHBondContact O-N 3.46Å
95L83.3Confident81.2Confident17 Ų1756.9 Ų56.99%0.08933%0.327CS..Hα-helixtrans-66.7-39.1176.1-175.863.8000112.7W55 S61 L64 G91 F92 G97 L98 S99W55-L95 HydrophobicContact CZ3-CD1 4.41Å; S61-L95 VanDerWaalsContact O-CD2 3.31Å; S61-L95 WeakPolarHBondContact O-CD2 3.46Å; L64-L95 HydrophobicContact CB-CD2 3.65Å; L64-L95 HydrophobicContact CD2-CD1 3.99Å; L64-L95 HydrophobicContact CD2-CD2 3.74Å; L64-L95 HydrophobicContact CD2-CG 4.45Å; L64-L95 HydrophobicContact CG-CD2 3.62Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 2.84Å; F92-L95 PolarHBondContact O-N 3.48Å; L95-G97 VanDerWaalsContact C-N 3.29Å; L95-G97 PolarHBondContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 3.41Å; L95-S99 WeakPolarHBondContact O-CB 3.36Å; L95-S99 PolarHBondContact O-N 2.83Å
96S83.8Confident80.7Confident63 Ų6361.4 Ų61.444%0.44135%0.345SS..Hα-helixtrans-62.1-38.7172.3-170.20000111.2F92 A93 S99 T100F92-S96 WeakPolarHBondContact O-CB 3.23Å; F92-S96 PolarHBondContact O-N 2.9Å; A93-S96 PolarHBondContact O-N 3.27Å; S96-S99 PolarHBondContact O-N 3.24Å; S96-T100 PolarHBondContact O-N 3.06Å; S96-T100 PolarHBondContact O-OG1 2.85Å
97G82.9Confident80.2Confident6 Ų662.9 Ų62.96%0.06236%0.356CS..Hα-helixtrans-62.5-45.8172.100000112.3A93 G94 L95 S99 T100A93-G97 PolarHBondContact O-N 3.04Å; G94-G97 PolarHBondContact O-N 3.29Å; L95-G97 VanDerWaalsContact C-N 3.29Å; L95-G97 PolarHBondContact O-N 3.15Å; G97-S99 VanDerWaalsContact C-N 3.35Å; G97-S99 PolarHBondContact O-N 2.65Å; G97-T100 VanDerWaalsContact O-CB 3.23Å; G97-T100 WeakPolarHBondContact O-CB 3.48Å; G97-T100 PolarHBondContact O-N 3.03Å
98L79.7Confident79.5Confident54 Ų5462.9 Ų62.928%0.28335%0.35SS..Hα-helixtrans-65.1-36.7176.7-171.4141.3000112.5V50 G94 L95 T100 G101V50-L98 HydrophobicContact CG2-CD1 4.2Å; G94-L98 PolarHBondContact O-N 3.46Å; L95-L98 PolarHBondContact O-N 3.41Å; L98-T100 PolarHBondContact O-N 3.22Å; L98-G101 WeakPolarHBondContact O-CA 3.34Å; L98-G101 PolarHBondContact O-N 3.33Å
99S78.3Confident78.7Confident58 Ų5861 Ų6141%0.40635%0.349SS..Hα-helixtrans-65.1-19.1173.6-172.60000112.9L95 S96 G97 G101 P102L95-S99 WeakPolarHBondContact O-CB 3.36Å; L95-S99 PolarHBondContact O-N 2.83Å; S96-S99 PolarHBondContact O-N 3.24Å; G97-S99 VanDerWaalsContact C-N 3.35Å; G97-S99 PolarHBondContact O-N 2.65Å; S99-G101 PolarHBondContact O-N 3.02Å; S99-P102 WeakPolarHBondContact O-CD 3.39Å
100T75.8Confident77.8Confident61 Ų6162.1 Ų62.137%0.37435%0.354SS..THydrogen-bonded Turntrans-77.6-7.4172-49.50000111.4S96 G97 L98 L103 L104S96-T100 PolarHBondContact O-N 3.06Å; S96-T100 PolarHBondContact O-OG1 2.85Å; G97-T100 VanDerWaalsContact O-CB 3.23Å; G97-T100 WeakPolarHBondContact O-CB 3.48Å; G97-T100 PolarHBondContact O-N 3.03Å; L98-T100 PolarHBondContact O-N 3.22Å; T100-L103 HydrophobicContact CG2-CB 4.09Å; T100-L103 HydrophobicContact CG2-CD2 3.99Å; T100-L103 WeakPolarHBondContact O-CA 3.29Å; T100-L103 VanDerWaalsContact O-CB 3.28Å; T100-L103 WeakPolarHBondContact O-CB 3.47Å; T100-L103 PolarHBondContact O-N 3.1Å; T100-L104 PolarHBondContact O-N 3.4Å
101G73.8Confident76.6Confident21 Ų2162.9 Ų62.922%0.21636%0.36CS..Hα-helixtrans-48.7-51.3178.400000115L98 S99 L103 L104 D105L98-G101 WeakPolarHBondContact O-CA 3.34Å; L98-G101 PolarHBondContact O-N 3.33Å; S99-G101 PolarHBondContact O-N 3.02Å; G101-L103 PolarHBondContact O-N 3.35Å; G101-L104 WeakPolarHBondContact O-CA 3.2Å; G101-L104 WeakPolarHBondContact O-CB 3.27Å; G101-L104 PolarHBondContact O-N 2.71Å; G101-D105 PolarHBondContact O-N 3.46Å
102P71.1Confident75.2Confident95 Ų9565.9 Ų65.962%0.61737%0.373SS*.Hα-helixtrans-60.8-31.3176.6-24.134.4000113.7S99 Y106S99-P102 WeakPolarHBondContact O-CD 3.39Å; P102-Y106 PolarHBondContact O-N 2.94Å
103L74.7Confident73.9Confident103 Ų10365.3 Ų65.354%0.53938%0.38SS..Hα-helixtrans-71.2-39.6174.7-172.466.7000110.8T100 G101 Y106 I107T100-L103 HydrophobicContact CG2-CB 4.09Å; T100-L103 HydrophobicContact CG2-CD2 3.99Å; T100-L103 WeakPolarHBondContact O-CA 3.29Å; T100-L103 VanDerWaalsContact O-CB 3.28Å; T100-L103 WeakPolarHBondContact O-CB 3.47Å; T100-L103 PolarHBondContact O-N 3.1Å; G101-L103 PolarHBondContact O-N 3.35Å; L103-Y106 WeakPolarHBondContact O-CB 3.4Å; L103-Y106 PolarHBondContact O-N 3.09Å; L103-I107 HydrophobicContact CG-CD1 4.45Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.41Å
104L72.4Confident72.6Confident65 Ų6571.3 Ų71.334%0.3440%0.4SS..Hα-helixtrans-63.5-43.9174.6-152.591.4000111.1T100 G101 Y106 I107 I108T100-L104 PolarHBondContact O-N 3.4Å; G101-L104 WeakPolarHBondContact O-CA 3.2Å; G101-L104 WeakPolarHBondContact O-CB 3.27Å; G101-L104 PolarHBondContact O-N 2.71Å; L104-Y106 VanDerWaalsContact C-N 3.3Å; L104-Y106 PolarHBondContact O-N 3.15Å; L104-I107 PolarHBondContact O-N 2.8Å; L104-I108 HydrophobicContact CD2-CD1 3.91Å; L104-I108 HydrophobicContact CG-CD1 4.08Å; L104-I108 WeakPolarHBondContact O-CB 3.28Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 2.88Å
105D71.7Confident71.3Confident94 Ų9480.1 Ų80.150%0.50343%0.428SS..Hα-helixtrans-60.9-39.6174.8-79.5-15.4000111.4G101 S109G101-D105 PolarHBondContact O-N 3.46Å; D105-S109 VanDerWaalsContact O-CB 3.23Å; D105-S109 WeakPolarHBondContact O-CB 3.23Å; D105-S109 PolarHBondContact O-N 2.88Å
106Y72.4Confident70.4Confident151 Ų15183.1 Ų83.159%0.59245%0.447SS*.Hα-helixtrans-60.4-49.3174.5-178.5-105.8000111.3P102 L103 L104 S109 I110P102-Y106 PolarHBondContact O-N 2.94Å; L103-Y106 WeakPolarHBondContact O-CB 3.4Å; L103-Y106 PolarHBondContact O-N 3.09Å; L104-Y106 VanDerWaalsContact C-N 3.3Å; L104-Y106 PolarHBondContact O-N 3.15Å; Y106-S109 WeakPolarHBondContact O-CB 3.25Å; Y106-S109 PolarHBondContact O-N 2.74Å; Y106-S109 VanDerWaalsContact O-N 3.15Å; Y106-S109 PolarHBondContact O-OG 2.69Å; Y106-I110 HydrophobicContact CD1-CD1 4.01Å; Y106-I110 HydrophobicContact CE1-CD1 3.64Å; Y106-I110 HydrophobicContact CE1-CG1 4.47Å; Y106-I110 WeakPolarHBondContact O-CG1 3.18Å; Y106-I110 PolarHBondContact O-N 3.33Å; Y106-I110 VanDerWaalsContact O-N 3.1Å
107I72.3Confident69.7Low103 Ų10388 Ų8853%0.52846%0.46SS..Hα-helixtrans-63.2-44.8179.9-65.5165.9000111.3L103 L104 S109 I110L103-I107 HydrophobicContact CG-CD1 4.45Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.41Å; L104-I107 PolarHBondContact O-N 2.8Å; I107-S109 VanDerWaalsContact C-N 3.26Å; I107-S109 PolarHBondContact O-N 3.15Å; I107-I110 WeakPolarHBondContact O-CA 3.39Å; I107-I110 WeakPolarHBondContact O-CB 3.49Å; I107-I110 PolarHBondContact O-N 3.41Å; I107-I110 VanDerWaalsContact O-N 3.09Å
108I70.6Confident69.2Low77 Ų7794 Ų9440%0.39549%0.488SS..Hα-helixtrans-64.6-35.2176.1-65164.7000110.5L104 I110 N111L104-I108 HydrophobicContact CD2-CD1 3.91Å; L104-I108 HydrophobicContact CG-CD1 4.08Å; L104-I108 WeakPolarHBondContact O-CB 3.28Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 2.88Å; I108-I110 PolarHBondContact O-N 3.49Å; I108-N111 PolarHBondContact O-N 3.09Å; I108-N111 PolarHBondContact O-ND2 3.43Å
109S68.2Low68.9Low45 Ų4596.6 Ų96.632%0.31550%0.502SS..Hα-helixtrans-63.9-30.8175.789.90000111.2D105 Y106 I107 N111 R114D105-S109 VanDerWaalsContact O-CB 3.23Å; D105-S109 WeakPolarHBondContact O-CB 3.23Å; D105-S109 PolarHBondContact O-N 2.88Å; Y106-S109 WeakPolarHBondContact O-CB 3.25Å; Y106-S109 PolarHBondContact O-N 2.74Å; Y106-S109 VanDerWaalsContact O-N 3.15Å; Y106-S109 PolarHBondContact O-OG 2.69Å; I107-S109 VanDerWaalsContact C-N 3.26Å; I107-S109 PolarHBondContact O-N 3.15Å; S109-N111 PolarHBondContact O-N 3.21Å; S109-R114 PolarHBondContact O-NE 3.03Å; S109-R114 PolarHBondContact O-NH1 3.4Å; S109-R114 PolarHBondContact O-NH2 2.9Å; S109-R114 PolarHBondContact OG-NH1 3.18Å
110I67.7Low69Low87 Ų8798.9 Ų98.945%0.44651%0.509SS..  trans-6842.3168.2-49.6164.8000110.1Y106 I107 I108 P112Y106-I110 HydrophobicContact CD1-CD1 4.01Å; Y106-I110 HydrophobicContact CE1-CD1 3.64Å; Y106-I110 HydrophobicContact CE1-CG1 4.47Å; Y106-I110 WeakPolarHBondContact O-CG1 3.18Å; Y106-I110 PolarHBondContact O-N 3.33Å; Y106-I110 VanDerWaalsContact O-N 3.1Å; I107-I110 WeakPolarHBondContact O-CA 3.39Å; I107-I110 WeakPolarHBondContact O-CB 3.49Å; I107-I110 PolarHBondContact O-N 3.41Å; I107-I110 VanDerWaalsContact O-N 3.09Å; I108-I110 PolarHBondContact O-N 3.49Å; I110-P112 WeakPolarHBondContact O-CD 3.35Å
111N62.8Low69.2Low94 Ų94104.5 Ų104.550%0.50352%0.524SS..  trans-59.4114.3157.6-106.5-42.7000107.8I108 S109 A113 R114I108-N111 PolarHBondContact O-N 3.09Å; I108-N111 PolarHBondContact O-ND2 3.43Å; S109-N111 PolarHBondContact O-N 3.21Å; N111-A113 HydrophobicContact CB-CB 4.33Å; N111-A113 PolarHBondContact O-N 2.99Å; N111-R114 PolarHBondContact O-N 2.84Å; N111-R114 VanDerWaalsContact O-N 3.15Å
112P57.9Low69.5Low99 Ų99108.1 Ų108.164%0.64354%0.537SS*.THydrogen-bonded Turntrans-60.4-15173.226.4-34.1000111.7I110 R114 R115 T116I110-P112 WeakPolarHBondContact O-CD 3.35Å; P112-R114 PolarHBondContact O-N 2.81Å; P112-R115 WeakPolarHBondContact O-CB 3.36Å; P112-R115 PolarHBondContact O-N 3.03Å; P112-T116 PolarHBondContact O-N 3.01Å
113A59.8Low70.2Confident51 Ų51107.1 Ų107.142%0.42153%0.533SS..Hα-helixtrans-53-26172.200000113.7N111 R115 T116 K117N111-A113 HydrophobicContact CB-CB 4.33Å; N111-A113 PolarHBondContact O-N 2.99Å; A113-R115 VanDerWaalsContact C-N 3.27Å; A113-R115 PolarHBondContact O-N 3.06Å; A113-T116 PolarHBondContact O-N 2.96Å; A113-K117 PolarHBondContact O-N 3.45Å
114R59.6Low70.6Confident139 Ų139108 Ų10853%0.52553%0.534SS..Hα-helixtrans-59.1-40.2173.1-65-168.4-73.4-139.72.9111.6S109 N111 P112 M118S109-R114 PolarHBondContact O-NE 3.03Å; S109-R114 PolarHBondContact O-NH1 3.4Å; S109-R114 PolarHBondContact O-NH2 2.9Å; S109-R114 PolarHBondContact OG-NH1 3.18Å; N111-R114 PolarHBondContact O-N 2.84Å; N111-R114 VanDerWaalsContact O-N 3.15Å; P112-R114 PolarHBondContact O-N 2.81Å; R114-M118 WeakPolarHBondContact O-CB 3.23Å; R114-M118 PolarHBondContact O-N 2.7Å
115R59.1Low71Confident199 Ų199108.8 Ų108.875%0.75155%0.55SS*.Hα-helixtrans-65.8-43.3176.2-173.2-177.2-76.5-123.11.3110.6P112 A113 M118 L119P112-R115 WeakPolarHBondContact O-CB 3.36Å; P112-R115 PolarHBondContact O-N 3.03Å; A113-R115 VanDerWaalsContact C-N 3.27Å; A113-R115 PolarHBondContact O-N 3.06Å; R115-M118 PolarHBondContact O-N 3.35Å; R115-L119 HydrophobicContact CG-CD1 4.09Å; R115-L119 VanDerWaalsContact O-CG 3.32Å; R115-L119 WeakPolarHBondContact O-CG 3.36Å; R115-L119 PolarHBondContact O-N 3.34Å
116T64Low71.3Confident81 Ų81111 Ų11150%0.49756%0.562SS.*Hα-helixtrans-68-42.4-179.9-25.70000112.3P112 A113 M118 L119 L120P112-T116 PolarHBondContact O-N 3.01Å; A113-T116 PolarHBondContact O-N 2.96Å; T116-M118 VanDerWaalsContact C-N 3.32Å; T116-M118 PolarHBondContact O-N 2.85Å; T116-L119 PolarHBondContact O-N 3.04Å; T116-L120 WeakPolarHBondContact O-CB 3.32Å; T116-L120 PolarHBondContact O-N 2.92Å
117K68.2Low71Confident164 Ų164112.3 Ų112.371%0.71359%0.585SS**Hα-helixtrans-61.5-39.7173.6-98.6-175.2179.7-179.20111.9A113 R121A113-K117 PolarHBondContact O-N 3.45Å; K117-R121 WeakPolarHBondContact O-CG 3.49Å; K117-R121 PolarHBondContact O-N 3.31Å
118M73.2Confident70.9Confident132 Ų132112.8 Ų112.865%0.6559%0.588SS**Hα-helixtrans-67-42177.5-168164.1-150.800112.1R114 R115 T116 R121 I122R114-M118 WeakPolarHBondContact O-CB 3.23Å; R114-M118 PolarHBondContact O-N 2.7Å; R115-M118 PolarHBondContact O-N 3.35Å; T116-M118 VanDerWaalsContact C-N 3.32Å; T116-M118 PolarHBondContact O-N 2.85Å; M118-R121 PolarHBondContact O-N 3.22Å; M118-I122 HydrophobicContact CG-CD1 4.39Å; M118-I122 WeakPolarHBondContact O-CG1 3.5Å; M118-I122 PolarHBondContact O-N 3.36Å; M118-I122 VanDerWaalsContact O-N 3.09Å
119L73.9Confident70.9Confident109 Ų109114.6 Ų114.657%0.57160%0.598SS**Hα-helixtrans-64.8-40.4175.4-71.7169000112.4R115 T116 I122 S123R115-L119 HydrophobicContact CG-CD1 4.09Å; R115-L119 VanDerWaalsContact O-CG 3.32Å; R115-L119 WeakPolarHBondContact O-CG 3.36Å; R115-L119 PolarHBondContact O-N 3.34Å; T116-L119 PolarHBondContact O-N 3.04Å; L119-I122 PolarHBondContact O-N 3.39Å; L119-S123 PolarHBondContact O-N 3.38Å
120L78.9Confident71.1Confident106 Ų106118.5 Ų118.556%0.55561%0.614SS**Hα-helixtrans-63.9-42.6174.6-82.5168.1000112.1T116 I122 S123 E124T116-L120 WeakPolarHBondContact O-CB 3.32Å; T116-L120 PolarHBondContact O-N 2.92Å; L120-I122 VanDerWaalsContact C-N 3.28Å; L120-I122 PolarHBondContact O-N 3Å; L120-S123 WeakPolarHBondContact O-CB 3.35Å; L120-S123 PolarHBondContact O-N 3.35Å; L120-S123 VanDerWaalsContact O-N 3.11Å; L120-E124 WeakPolarHBondContact O-CG 3.39Å; L120-E124 PolarHBondContact O-N 3.11Å
121R81.3Confident71.3Confident180 Ų180120.4 Ų120.468%0.67962%0.623SS**Hα-helixtrans-61.9-34175-77.8-63-150.5179.88.1113.2K117 M118 E124 A125K117-R121 WeakPolarHBondContact O-CG 3.49Å; K117-R121 PolarHBondContact O-N 3.31Å; M118-R121 PolarHBondContact O-N 3.22Å; R121-E124 WeakPolarHBondContact CD-OE2 3.46Å; R121-E124 IonicContact NH1-OE2 3.33Å; R121-E124 PolarHBondContact NH1-OE2 3.09Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 3.47Å; R121-A125 VanDerWaalsContact O-N 3.08Å
122I79.6Confident71.8Confident96 Ų96122 Ų12249%0.49263%0.631SS.*Hα-helixtrans-71-35.4174.6-68.4166.4000110.9M118 L119 L120 A125 N126M118-I122 HydrophobicContact CG-CD1 4.39Å; M118-I122 WeakPolarHBondContact O-CG1 3.5Å; M118-I122 PolarHBondContact O-N 3.36Å; M118-I122 VanDerWaalsContact O-N 3.09Å; L119-I122 PolarHBondContact O-N 3.39Å; L120-I122 VanDerWaalsContact C-N 3.28Å; L120-I122 PolarHBondContact O-N 3Å; I122-A125 PolarHBondContact O-N 2.89Å; I122-N126 PolarHBondContact O-N 3.49Å
123S86.4Confident72.8Confident75 Ų75123.5 Ų123.552%0.52463%0.63SS.*Hα-helixtrans-69-40.8174.3-170.50000112.3L119 L120 A125 N126L119-S123 PolarHBondContact O-N 3.38Å; L120-S123 WeakPolarHBondContact O-CB 3.35Å; L120-S123 PolarHBondContact O-N 3.35Å; L120-S123 VanDerWaalsContact O-N 3.11Å; S123-A125 VanDerWaalsContact C-N 3.29Å; S123-A125 PolarHBondContact O-N 3.08Å; S123-N126 PolarHBondContact O-N 3.33Å
124E83.2Confident73.7Confident120 Ų120128.7 Ų128.756%0.56165%0.645SS**Hα-helixtrans-65.9-30.7175-72.6177.3167.700112.3L120 R121 N126L120-E124 WeakPolarHBondContact O-CG 3.39Å; L120-E124 PolarHBondContact O-N 3.11Å; R121-E124 WeakPolarHBondContact CD-OE2 3.46Å; R121-E124 IonicContact NH1-OE2 3.33Å; R121-E124 PolarHBondContact NH1-OE2 3.09Å; E124-N126 VanDerWaalsContact C-N 3.31Å
125A80.5Confident74.8Confident83 Ų83127.9 Ų127.969%0.68665%0.654SS**THydrogen-bonded Turntrans-80.1-10.1178.500000114R121 I122 S123R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 3.47Å; R121-A125 VanDerWaalsContact O-N 3.08Å; I122-A125 PolarHBondContact O-N 2.89Å; S123-A125 VanDerWaalsContact C-N 3.29Å; S123-A125 PolarHBondContact O-N 3.08Å
126N76.8Confident76.1Confident141 Ų141122 Ų12275%0.75465%0.646SS**THydrogen-bonded Turntrans-103.43.7-179.9-112.7-34.6000113.2I122 S123 E124I122-N126 PolarHBondContact O-N 3.49Å; S123-N126 PolarHBondContact O-N 3.33Å; E124-N126 VanDerWaalsContact C-N 3.31Å
127V66.8Low77.2Confident177 Ų177125.7 Ų125.7100%1.07366%0.66SS**  trans-1180174.1-179.70000108.2

Retrieved 127 of 127 residues in 25.4 ms (Link to these results)