A0A077Z0C6_TRITR Loading...

SH2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0C6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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
1M48.8Very low64.1Low231 Ų231103 Ų103100%1.13858%0.582SS**  017.80-71.8-170.6-84.100113.5
2A49.2Very low65.2Low91 Ų91108.5 Ų108.575%0.75259%0.587SS**  trans-1002.7-17700000114.9
3S61.1Low66.3Low80 Ų80104.9 Ų104.956%0.55957%0.574SS**SBendtrans-93.4-27-174.5520000114.7I7S3-I7 WeakPolarHBondContact O-CD1 3.38Å; S3-I7 WeakPolarHBondContact O-CG1 3.26Å
4T57.5Low67.2Low90 Ų90103.6 Ų103.655%0.55256%0.56SS**Hα-helixtrans-76-35.4-174.3-47.70000112.8D6 I7 D8T4-D6 VanDerWaalsContact C-N 3.34Å; T4-D6 PolarHBondContact O-N 3.04Å; T4-I7 PolarHBondContact O-N 2.84Å; T4-D8 PolarHBondContact O-N 3.32Å
5I59.3Low67.9Low129 Ų12998.1 Ų98.166%0.66253%0.53SS*.Hα-helixtrans-65.7-39.1-177.8-63.9169.4000110.9D8 V9I5-D8 PolarHBondContact O-N 2.74Å; I5-V9 WeakPolarHBondContact O-CG2 3.47Å; I5-V9 PolarHBondContact O-N 3.41Å
6D65.7Low68.8Low114 Ų11498.2 Ų98.261%0.6153%0.529SS*.Hα-helixtrans-65.7-43.5179.4-160.8-20.8000111.4T4 D8 V9 A10T4-D6 VanDerWaalsContact C-N 3.34Å; T4-D6 PolarHBondContact O-N 3.04Å; D6-D8 VanDerWaalsContact C-N 3.34Å; D6-D8 PolarHBondContact O-N 3.46Å; D6-V9 PolarHBondContact O-N 3.08Å; D6-A10 WeakPolarHBondContact O-CB 3.5Å; D6-A10 PolarHBondContact O-N 2.66Å
7I65.6Low69.6Low84 Ų8498.7 Ų98.743%0.43153%0.528SS..Hα-helixtrans-61-42.5178.6-65.3167.2000111.4S3 T4 R11S3-I7 WeakPolarHBondContact O-CD1 3.38Å; S3-I7 WeakPolarHBondContact O-CG1 3.26Å; T4-I7 PolarHBondContact O-N 2.84Å; I7-R11 HydrophobicContact CG2-CG 4.47Å; I7-R11 WeakPolarHBondContact O-CB 3.28Å; I7-R11 WeakPolarHBondContact O-CD 3.43Å; I7-R11 WeakPolarHBondContact O-CG 3.42Å; I7-R11 PolarHBondContact O-N 3.35Å
8D72.2Confident70.2Confident70 Ų7093.6 Ų93.637%0.37450%0.501SS..Hα-helixtrans-70.9-35.2-179.4-74.8-22.9000112.5T4 I5 D6 R12T4-D8 PolarHBondContact O-N 3.32Å; I5-D8 PolarHBondContact O-N 2.74Å; D6-D8 VanDerWaalsContact C-N 3.34Å; D6-D8 PolarHBondContact O-N 3.46Å; D8-R12 VanDerWaalsContact O-CG 3.31Å; D8-R12 WeakPolarHBondContact O-CG 3.25Å; D8-R12 PolarHBondContact O-N 3.24Å
9V76.3Confident70.9Confident73 Ų7388.8 Ų88.844%0.44248%0.475SS..Hα-helixtrans-67.4-50.1174.3173.50000110.5I5 D6 R11 R12 C13I5-V9 WeakPolarHBondContact O-CG2 3.47Å; I5-V9 PolarHBondContact O-N 3.41Å; D6-V9 PolarHBondContact O-N 3.08Å; V9-R11 VanDerWaalsContact C-N 3.28Å; V9-R11 PolarHBondContact O-N 3.03Å; V9-R12 PolarHBondContact O-N 2.66Å; V9-R12 VanDerWaalsContact O-N 3.08Å; V9-C13 PolarHBondContact O-N 2.91Å; V9-C13 PolarHBondContact O-SG 2.97Å
10A76.3Confident71.6Confident53 Ų5390.6 Ų90.644%0.43848%0.48SS..Hα-helixtrans-57.3-42.1177.900000111.8D6 C13 F14D6-A10 WeakPolarHBondContact O-CB 3.5Å; D6-A10 PolarHBondContact O-N 2.66Å; A10-C13 PolarHBondContact O-N 3.13Å; A10-F14 WeakPolarHBondContact O-CB 3.41Å; A10-F14 PolarHBondContact O-N 3.16Å
11R73.6Confident72.1Confident118 Ų11891.1 Ų91.145%0.44548%0.48SS..Hα-helixtrans-61.5-44.5174.6-77.9171.6174.2176-0.3112.4I7 V9 F14 I15I7-R11 HydrophobicContact CG2-CG 4.47Å; I7-R11 WeakPolarHBondContact O-CB 3.28Å; I7-R11 WeakPolarHBondContact O-CD 3.43Å; I7-R11 WeakPolarHBondContact O-CG 3.42Å; I7-R11 PolarHBondContact O-N 3.35Å; V9-R11 VanDerWaalsContact C-N 3.28Å; V9-R11 PolarHBondContact O-N 3.03Å; R11-F14 PolarHBondContact O-N 3.28Å; R11-I15 WeakPolarHBondContact O-CB 3.38Å; R11-I15 VanDerWaalsContact O-CD1 3.32Å; R11-I15 WeakPolarHBondContact O-CD1 3.36Å; R11-I15 WeakPolarHBondContact O-CG1 3.43Å; R11-I15 PolarHBondContact O-N 2.94Å
12R76.4Confident73.8Confident169 Ų16980.2 Ų80.264%0.63843%0.426SS*.Hα-helixtrans-63-45.2177.3-76.8173.8-179.8157.72.5111.8D8 V9 F14 I15 L16D8-R12 VanDerWaalsContact O-CG 3.31Å; D8-R12 WeakPolarHBondContact O-CG 3.25Å; D8-R12 PolarHBondContact O-N 3.24Å; V9-R12 PolarHBondContact O-N 2.66Å; V9-R12 VanDerWaalsContact O-N 3.08Å; R12-F14 PolarHBondContact O-N 2.84Å; R12-I15 PolarHBondContact O-N 3.4Å; R12-L16 WeakPolarHBondContact O-CB 3.34Å; R12-L16 VanDerWaalsContact O-CG 3.27Å; R12-L16 WeakPolarHBondContact O-CG 3.43Å; R12-L16 PolarHBondContact O-N 3.41Å
13C79.4Confident75.5Confident62 Ų6281.8 Ų81.842%0.41941%0.413SS..Hα-helixtrans-57.6-48.7175.9-69.50000111.2V9 A10 I15 L16 E17V9-C13 PolarHBondContact O-N 2.91Å; V9-C13 PolarHBondContact O-SG 2.97Å; A10-C13 PolarHBondContact O-N 3.13Å; C13-I15 VanDerWaalsContact C-N 3.34Å; C13-I15 PolarHBondContact O-N 3.25Å; C13-L16 PolarHBondContact O-N 3.48Å; C13-E17 WeakPolarHBondContact O-CG 3.49Å; C13-E17 PolarHBondContact O-N 3.18Å
14F79.7Confident76.6Confident86 Ų8685.5 Ų85.538%0.37742%0.422SS..Hα-helixtrans-59.2-42.8178.3-177.2-96.1000112.9A10 R11 R12 S18 L96A10-F14 WeakPolarHBondContact O-CB 3.41Å; A10-F14 PolarHBondContact O-N 3.16Å; R11-F14 PolarHBondContact O-N 3.28Å; R12-F14 PolarHBondContact O-N 2.84Å; F14-S18 WeakPolarHBondContact O-CB 3.42Å; F14-S18 PolarHBondContact O-N 2.87Å; F14-S18 PolarHBondContact O-OG 3.23Å; F14-L96 HydrophobicContact CE1-CB 4.48Å; F14-L96 HydrophobicContact CZ-CB 4.21Å
15I77.9Confident77.9Confident21 Ų2181.9 Ų81.911%0.10840%0.4CS..Hα-helixtrans-64-45.2177.4-69161.7000110.4R11 R12 C13 S18 M19R11-I15 WeakPolarHBondContact O-CB 3.38Å; R11-I15 VanDerWaalsContact O-CD1 3.32Å; R11-I15 WeakPolarHBondContact O-CD1 3.36Å; R11-I15 WeakPolarHBondContact O-CG1 3.43Å; R11-I15 PolarHBondContact O-N 2.94Å; R12-I15 PolarHBondContact O-N 3.4Å; C13-I15 VanDerWaalsContact C-N 3.34Å; C13-I15 PolarHBondContact O-N 3.25Å; I15-S18 PolarHBondContact O-N 3.49Å; I15-M19 HydrophobicContact CG2-CE 3.25Å; I15-M19 HydrophobicContact CG2-CG 4.49Å; I15-M19 HydrophobicContact CG2-SD 4Å; I15-M19 WeakPolarHBondContact O-CG 3.16Å; I15-M19 PolarHBondContact O-N 3.29Å
16L81.4Confident79.1Confident100 Ų10078.3 Ų78.352%0.52439%0.385SS..Hα-helixtrans-63.7-41.9179.7-71.6171.9000112.1R12 C13 M19 Q20R12-L16 WeakPolarHBondContact O-CB 3.34Å; R12-L16 VanDerWaalsContact O-CG 3.27Å; R12-L16 WeakPolarHBondContact O-CG 3.43Å; R12-L16 PolarHBondContact O-N 3.41Å; C13-L16 PolarHBondContact O-N 3.48Å; L16-M19 WeakPolarHBondContact O-CB 3.25Å; L16-M19 PolarHBondContact O-N 3.48Å; L16-Q20 WeakPolarHBondContact O-CG 3.28Å; L16-Q20 PolarHBondContact O-N 3.15Å
17E82.7Confident80.2Confident107 Ų10775.6 Ų75.650%0.537%0.366SS..Hα-helixtrans-62.4-46.7174.9-73.2173.2-172.500111.4C13 M19 Q20 Q21C13-E17 WeakPolarHBondContact O-CG 3.49Å; C13-E17 PolarHBondContact O-N 3.18Å; E17-M19 VanDerWaalsContact C-N 3.26Å; E17-M19 PolarHBondContact O-N 3.01Å; E17-Q20 PolarHBondContact O-N 3.33Å; E17-Q20 VanDerWaalsContact O-N 3.12Å; E17-Q21 WeakPolarHBondContact O-CG 3.48Å; E17-Q21 PolarHBondContact O-N 3.21Å
18S81.3Confident81.4Confident7 Ų772.5 Ų72.55%0.04935%0.349CS..Hα-helixtrans-60-38176.7-64.60000111.9F14 I15 F22F14-S18 WeakPolarHBondContact O-CB 3.42Å; F14-S18 PolarHBondContact O-N 2.87Å; F14-S18 PolarHBondContact O-OG 3.23Å; I15-S18 PolarHBondContact O-N 3.49Å; S18-F22 WeakPolarHBondContact O-CB 3.46Å; S18-F22 PolarHBondContact O-N 3.41Å
19M83.4Confident82.4Confident3 Ų369.9 Ų69.92%0.01533%0.334CS..Hα-helixtrans-66.5-43.5173.8-71.5174.5-17900112.3I15 L16 E17 Q21 F22 R23 F60 F61 F83I15-M19 HydrophobicContact CG2-CE 3.25Å; I15-M19 HydrophobicContact CG2-CG 4.49Å; I15-M19 HydrophobicContact CG2-SD 4Å; I15-M19 WeakPolarHBondContact O-CG 3.16Å; I15-M19 PolarHBondContact O-N 3.29Å; L16-M19 WeakPolarHBondContact O-CB 3.25Å; L16-M19 PolarHBondContact O-N 3.48Å; E17-M19 VanDerWaalsContact C-N 3.26Å; E17-M19 PolarHBondContact O-N 3.01Å; M19-Q21 VanDerWaalsContact C-N 3.34Å; M19-Q21 PolarHBondContact O-N 2.79Å; M19-F22 PolarHBondContact O-N 2.91Å; M19-R23 VanDerWaalsContact O-CG 3.28Å; M19-R23 WeakPolarHBondContact O-CG 3.35Å; M19-R23 PolarHBondContact O-N 2.98Å; M19-F60 HydrophobicContact CE-CB 3.8Å; M19-F60 HydrophobicContact CE-CD1 3.54Å; M19-F60 HydrophobicContact CE-CD2 3.12Å; M19-F60 HydrophobicContact CE-CE1 3.8Å; M19-F60 HydrophobicContact CE-CE2 3.41Å; M19-F60 VanDerWaalsContact CE-CE2 3.41Å; M19-F60 HydrophobicContact CE-CG 3.18Å; M19-F60 HydrophobicContact CE-CZ 3.73Å; M19-F60 HydrophobicContact SD-CD1 3.94Å; M19-F60 HydrophobicContact SD-CE1 4.21Å; M19-F60 HydrophobicContact SD-CG 4.08Å; M19-F61 HydrophobicContact CB-CE2 4.47Å; M19-F61 HydrophobicContact CB-CZ 4.33Å; M19-F61 HydrophobicContact CG-CE2 3.9Å; M19-F61 HydrophobicContact CG-CZ 4.17Å; M19-F83 HydrophobicContact CE-CE1 4.43Å
20Q83.7Confident83.1Confident123 Ų12366.7 Ų66.758%0.57532%0.316SS*.Hα-helixtrans-61.6-44178.5-76.3-178.7-3.400111.4L16 E17 F22 R23 Q24L16-Q20 WeakPolarHBondContact O-CG 3.28Å; L16-Q20 PolarHBondContact O-N 3.15Å; E17-Q20 PolarHBondContact O-N 3.33Å; E17-Q20 VanDerWaalsContact O-N 3.12Å; Q20-F22 VanDerWaalsContact C-N 3.35Å; Q20-F22 PolarHBondContact O-N 3.18Å; Q20-R23 PolarHBondContact O-N 3.49Å; Q20-Q24 PolarHBondContact O-N 3.45Å
21Q82.2Confident83.8Confident103 Ų10368.6 Ų68.648%0.48133%0.332SS..Hα-helixtrans-60.9-45.3174.9-68.9175.71200111.2E17 M19 R23 Q24E17-Q21 WeakPolarHBondContact O-CG 3.48Å; E17-Q21 PolarHBondContact O-N 3.21Å; M19-Q21 VanDerWaalsContact C-N 3.34Å; M19-Q21 PolarHBondContact O-N 2.79Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.9Å; Q21-Q24 WeakPolarHBondContact O-CB 3.48Å; Q21-Q24 PolarHBondContact O-N 3.23Å; Q21-Q24 VanDerWaalsContact O-N 3.08Å
22F85Confident84.7Confident1 Ų164 Ų640%0.00432%0.316CS..Hα-helixtrans-63.6-36.6179-176.8-100.9000113.4S18 M19 Q20 Q24 C25 W27 Y28 V51 F61 L98 F102S18-F22 WeakPolarHBondContact O-CB 3.46Å; S18-F22 PolarHBondContact O-N 3.41Å; M19-F22 PolarHBondContact O-N 2.91Å; Q20-F22 VanDerWaalsContact C-N 3.35Å; Q20-F22 PolarHBondContact O-N 3.18Å; F22-Q24 PolarHBondContact O-N 3.37Å; F22-Q24 VanDerWaalsContact O-N 3.14Å; F22-C25 WeakPolarHBondContact O-CB 3.42Å; F22-C25 PolarHBondContact O-N 3.02Å; F22-C25 PolarHBondContact O-SG 3.45Å; F22-C25 VanDerWaalsContact O-SG 3.39Å; F22-W27 AromaticContact CE2-NE1 3.85Å; F22-Y28 HydrophobicContact CD1-CD2 4.4Å; F22-Y28 AromaticContact CE1-CD2 3.9Å; F22-Y28 HydrophobicContact CE1-CD2 3.9Å; F22-Y28 HydrophobicContact CE1-CG 4.38Å; F22-V51 HydrophobicContact CE1-CB 3.96Å; F22-V51 HydrophobicContact CE1-CG1 3.49Å; F22-V51 VanDerWaalsContact CE1-CG1 3.49Å; F22-V51 HydrophobicContact CZ-CB 3.64Å; F22-V51 HydrophobicContact CZ-CG1 3.52Å; F22-V51 HydrophobicContact CZ-CG2 3.78Å; F22-F61 HydrophobicContact CD1-CD1 4.45Å; F22-F61 HydrophobicContact CD1-CD2 4.42Å; F22-F61 HydrophobicContact CD1-CE1 4.13Å; F22-F61 HydrophobicContact CD1-CE2 4.1Å; F22-F61 AromaticContact CD1-CZ 3.94Å; F22-F61 HydrophobicContact CD1-CZ 3.94Å; F22-F61 HydrophobicContact CE1-CD1 4.32Å; F22-F61 HydrophobicContact CE1-CE1 4.41Å; F22-F61 HydrophobicContact CE1-CG 4.42Å; F22-L98 HydrophobicContact CB-CB 4.02Å; F22-L98 HydrophobicContact CB-CD1 3.62Å; F22-L98 HydrophobicContact CB-CG 4.44Å; F22-L98 HydrophobicContact CD1-CD1 3.61Å; F22-L98 HydrophobicContact CD2-CB 3.2Å; F22-L98 HydrophobicContact CD2-CD1 3.86Å; F22-L98 HydrophobicContact CD2-CG 4.14Å; F22-L98 HydrophobicContact CE1-CD1 4.26Å; F22-L98 HydrophobicContact CE2-CB 3.74Å; F22-L98 HydrophobicContact CE2-CD1 4.46Å; F22-L98 HydrophobicContact CG-CB 3.65Å; F22-L98 HydrophobicContact CG-CD1 3.38Å; F22-L98 HydrophobicContact CG-CG 4.14Å; F22-F102 HydrophobicContact CE2-CD2 4.04Å; F22-F102 AromaticContact CE2-CE2 3.84Å; F22-F102 HydrophobicContact CE2-CE2 3.84Å; F22-F102 HydrophobicContact CZ-CE2 4.04Å
23R85Confident85.4Confident124 Ų12457.7 Ų57.747%0.46830%0.298SS..Hα-helixtrans-63.9-16.7176-72.9-179.8176.5143.81.9113.3M19 Q20 Q21 C25 Y28M19-R23 VanDerWaalsContact O-CG 3.28Å; M19-R23 WeakPolarHBondContact O-CG 3.35Å; M19-R23 PolarHBondContact O-N 2.98Å; Q20-R23 PolarHBondContact O-N 3.49Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.9Å; R23-C25 VanDerWaalsContact C-N 3.34Å; R23-Y28 HydrophobicContact CB-CD1 4.05Å; R23-Y28 HydrophobicContact CB-CE1 3.9Å; R23-Y28 HydrophobicContact CG-CD1 4.1Å; R23-Y28 HydrophobicContact CG-CE1 3.55Å
24Q82.9Confident86Confident159 Ų15956.1 Ų56.174%0.74329%0.287SS*.THydrogen-bonded Turntrans-83-12.4172.9-59.8176.78.300112.6Q20 Q21 F22Q20-Q24 PolarHBondContact O-N 3.45Å; Q21-Q24 WeakPolarHBondContact O-CB 3.48Å; Q21-Q24 PolarHBondContact O-N 3.23Å; Q21-Q24 VanDerWaalsContact O-N 3.08Å; F22-Q24 PolarHBondContact O-N 3.37Å; F22-Q24 VanDerWaalsContact O-N 3.14Å
25C85.3Confident86.7Confident14 Ų1457.6 Ų57.610%0.09530%0.295CS..SBendtrans-63.5137.8177.7-65.40000110.9F22 R23 W27 Y28F22-C25 WeakPolarHBondContact O-CB 3.42Å; F22-C25 PolarHBondContact O-N 3.02Å; F22-C25 PolarHBondContact O-SG 3.45Å; F22-C25 VanDerWaalsContact O-SG 3.39Å; R23-C25 VanDerWaalsContact C-N 3.34Å; C25-W27 HydrophobicContact CB-CD2 4.39Å; C25-W27 HydrophobicContact CB-CG 4.47Å; C25-W27 HydrophobicContact CB-CZ2 4.37Å; C25-W27 PolarHBondContact O-N 3.45Å; C25-Y28 WeakPolarHBondContact O-CB 3.45Å; C25-Y28 PolarHBondContact O-N 3.4Å; C25-Y28 VanDerWaalsContact O-N 3.1Å
26P85.5Confident87.4Confident53 Ų5361.2 Ų61.234%0.34431%0.312SS..THydrogen-bonded Turntrans-71-17.4-173.130.5-37.3000113.4L137 R138P26-L137 HydrophobicContact CB-CD2 3.93Å; P26-L137 HydrophobicContact CG-CD2 3.92Å; P26-L137 CarbonylContact O-C 3.56Å; P26-L137 VanDerWaalsContact O-CA 3.29Å; P26-L137 WeakPolarHBondContact O-CA 3.46Å; P26-R138 PolarHBondContact O-N 2.94Å
27W88.5Confident88Confident57 Ų5756.5 Ų56.522%0.21629%0.287CS..THydrogen-bonded Turntrans-92.87.6175.454.964.4000114.1F22 C25 W29 F49 V51 P135 I136 L137F22-W27 AromaticContact CE2-NE1 3.85Å; C25-W27 HydrophobicContact CB-CD2 4.39Å; C25-W27 HydrophobicContact CB-CG 4.47Å; C25-W27 HydrophobicContact CB-CZ2 4.37Å; C25-W27 PolarHBondContact O-N 3.45Å; W27-W29 VanDerWaalsContact O-CD1 3.3Å; W27-F49 HydrophobicContact CG-CE2 4.38Å; W27-V51 PolarHBondContact O-N 3.38Å; W27-P135 HydrophobicContact CB-CB 3.81Å; W27-P135 HydrophobicContact CD2-CB 3.94Å; W27-P135 HydrophobicContact CE3-CB 3.39Å; W27-P135 HydrophobicContact CE3-CG 3.82Å; W27-P135 HydrophobicContact CG-CB 4.16Å; W27-P135 HydrophobicContact CZ3-CB 4.2Å; W27-P135 HydrophobicContact CZ3-CG 4.19Å; W27-I136 WeakPolarHBondContact CA-O 3.34Å; W27-L137 HydrophobicContact CB-CD2 4.47Å
28Y91.7Very high88.6Confident20 Ų2055.7 Ų55.78%0.07828%0.283CS..BIsolated β-bridgetrans-87.9128.3170.1173.2-111.9000110.6F22 R23 C25 G30 V51 D53 F61 R138F22-Y28 HydrophobicContact CD1-CD2 4.4Å; F22-Y28 AromaticContact CE1-CD2 3.9Å; F22-Y28 HydrophobicContact CE1-CD2 3.9Å; F22-Y28 HydrophobicContact CE1-CG 4.38Å; R23-Y28 HydrophobicContact CB-CD1 4.05Å; R23-Y28 HydrophobicContact CB-CE1 3.9Å; R23-Y28 HydrophobicContact CG-CD1 4.1Å; R23-Y28 HydrophobicContact CG-CE1 3.55Å; C25-Y28 WeakPolarHBondContact O-CB 3.45Å; C25-Y28 PolarHBondContact O-N 3.4Å; C25-Y28 VanDerWaalsContact O-N 3.1Å; Y28-G30 VanDerWaalsContact CZ-CA 3.4Å; Y28-V51 CarbonylContact C-O 3.59Å; Y28-V51 WeakPolarHBondContact CA-O 3.31Å; Y28-D53 WeakPolarHBondContact CE2-OD1 3.32Å; Y28-D53 PolarHBondContact OH-OD1 3.31Å; Y28-D53 PolarHBondContact OH-OD2 2.95Å; Y28-F61 HydrophobicContact CD2-CD1 4.47Å; Y28-F61 HydrophobicContact CD2-CE1 4.37Å; Y28-F61 AromaticContact CE2-CD1 3.84Å; Y28-F61 HydrophobicContact CE2-CD1 3.84Å; Y28-F61 AromaticContact CE2-CE1 3.62Å; Y28-F61 HydrophobicContact CE2-CE1 3.62Å; Y28-R138 WeakPolarHBondContact O-CD 3.33Å
29W92.2Very high89.1Confident14 Ų1460 Ų605%0.05331%0.312CS..  trans-105.4-8.7-172.7-77.270.6000114.3W27 L32 I40 L50 V51 I136 R138 F141 V142W27-W29 VanDerWaalsContact O-CD1 3.3Å; W29-L32 HydrophobicContact CB-CB 4.1Å; W29-L32 HydrophobicContact CB-CD2 3.9Å; W29-L32 HydrophobicContact CD2-CD2 4.18Å; W29-L32 HydrophobicContact CE3-CD1 4.19Å; W29-L32 HydrophobicContact CE3-CD2 4.07Å; W29-L32 HydrophobicContact CG-CD2 4.13Å; W29-I40 HydrophobicContact CE3-CD1 3.85Å; W29-I40 HydrophobicContact CH2-CD1 3.68Å; W29-I40 HydrophobicContact CH2-CG1 4.28Å; W29-I40 HydrophobicContact CH2-CG2 4.14Å; W29-I40 HydrophobicContact CZ2-CD1 4.45Å; W29-I40 HydrophobicContact CZ2-CG2 4.25Å; W29-I40 HydrophobicContact CZ3-CD1 3.38Å; W29-I40 HydrophobicContact CZ3-CG1 4.36Å; W29-L50 HydrophobicContact CD2-CD2 4.47Å; W29-L50 HydrophobicContact CG-CB 4.37Å; W29-L50 HydrophobicContact CG-CD1 4.43Å; W29-V51 PolarHBondContact N-O 2.84Å; W29-I136 HydrophobicContact CH2-CG2 4.43Å; W29-I136 HydrophobicContact CZ2-CB 4.49Å; W29-I136 HydrophobicContact CZ2-CG2 3.52Å; W29-I136 PolarHBondContact NE1-O 3.42Å; W29-R138 HydrophobicContact CD2-CB 4.1Å; W29-R138 HydrophobicContact CD2-CG 4.12Å; W29-R138 HydrophobicContact CE3-CG 4.16Å; W29-R138 HydrophobicContact CG-CB 4.32Å; W29-R138 HydrophobicContact CG-CG 4.48Å; W29-R138 HydrophobicContact CZ2-CB 4.5Å; W29-F141 HydrophobicContact CH2-CB 3.41Å; W29-F141 VanDerWaalsContact CH2-CB 3.41Å; W29-F141 HydrophobicContact CH2-CD1 4.36Å; W29-F141 AromaticContact CH2-CD2 3.48Å; W29-F141 HydrophobicContact CH2-CD2 3.48Å; W29-F141 VanDerWaalsContact CH2-CD2 3.48Å; W29-F141 HydrophobicContact CH2-CE2 4.33Å; W29-F141 AromaticContact CH2-CG 3.5Å; W29-F141 HydrophobicContact CH2-CG 3.5Å; W29-F141 VanDerWaalsContact CH2-CG 3.5Å; W29-F141 HydrophobicContact CZ2-CB 4.32Å; W29-F141 AromaticContact CZ2-CD2 3.68Å; W29-F141 HydrophobicContact CZ2-CD2 3.68Å; W29-F141 HydrophobicContact CZ2-CE2 4.32Å; W29-F141 HydrophobicContact CZ2-CG 4.19Å; W29-F141 HydrophobicContact CZ3-CB 3.98Å; W29-F141 HydrophobicContact CZ3-CG 4.46Å; W29-V142 HydrophobicContact CZ3-CG2 4.24Å
30G90.8Very high89.6Confident6 Ų661.2 Ų61.26%0.06232%0.318CS..SBendtrans72.3-145.6-175.300000112.4Y28 L32 R52 D53Y28-G30 VanDerWaalsContact CZ-CA 3.4Å; G30-L32 PolarHBondContact O-N 2.93Å; G30-R52 CarbonylContact O-C 3.56Å; G30-R52 WeakPolarHBondContact O-CA 3.38Å; G30-D53 PolarHBondContact O-N 3.37Å
31A91.2Very high90Very high94 Ų9455.3 Ų55.378%0.77729%0.291SS*.SBendtrans-70.378176.600000110.8D53A31-D53 PolarHBondContact N-OD2 3.33Å; A31-D53 VanDerWaalsContact N-OD2 3.08Å
32L92.5Very high90.5Very high20 Ų2054 Ų5411%0.10529%0.289CS..  trans-107.6131.9172.7-170.975.6000107.9W29 G30 E36 A37 I40 L50 R52W29-L32 HydrophobicContact CB-CB 4.1Å; W29-L32 HydrophobicContact CB-CD2 3.9Å; W29-L32 HydrophobicContact CD2-CD2 4.18Å; W29-L32 HydrophobicContact CE3-CD1 4.19Å; W29-L32 HydrophobicContact CE3-CD2 4.07Å; W29-L32 HydrophobicContact CG-CD2 4.13Å; G30-L32 PolarHBondContact O-N 2.93Å; L32-E36 HydrophobicContact CD1-CB 3.58Å; L32-E36 HydrophobicContact CD1-CG 4.4Å; L32-E36 HydrophobicContact CG-CB 3.98Å; L32-A37 HydrophobicContact CD2-CB 3.78Å; L32-A37 HydrophobicContact CG-CB 4.43Å; L32-I40 HydrophobicContact CD1-CD1 3.99Å; L32-I40 HydrophobicContact CD2-CD1 3.85Å; L32-L50 HydrophobicContact CD2-CD1 3.71Å; L32-L50 HydrophobicContact CD2-CD2 3.97Å; L32-R52 HydrophobicContact CB-CB 3.82Å; L32-R52 WeakPolarHBondContact O-CD 3.41Å
33S92.2Very high90.7Very high37 Ų3760.7 Ų60.726%0.25933%0.325SS..  trans-69.2156.7175.663.80000111.5E35 E36 A37S33-E35 WeakPolarHBondContact CB-OE2 3.27Å; S33-E35 PolarHBondContact O-N 2.94Å; S33-E36 WeakPolarHBondContact CB-OE2 3.48Å; S33-E36 PolarHBondContact N-OE2 2.86Å; S33-E36 VanDerWaalsContact OG-CB 3.28Å; S33-E36 WeakPolarHBondContact OG-CB 3.36Å; S33-E36 WeakPolarHBondContact OG-CG 3.28Å; S33-E36 PolarHBondContact OG-N 3.14Å; S33-E36 VanDerWaalsContact OG-N 3.07Å; S33-E36 PolarHBondContact OG-OE2 3.4Å; S33-A37 WeakPolarHBondContact O-CB 3.34Å; S33-A37 PolarHBondContact O-N 2.74Å; S33-A37 VanDerWaalsContact O-N 3.09Å
34P91.9Very high91.1Very high30 Ų3058 Ų5820%0.19532%0.317CS..Hα-helixtrans-51.2-45.5168.3-18.225.2000112A37 E38 H73P34-A37 WeakPolarHBondContact O-CB 3.44Å; P34-A37 PolarHBondContact O-N 3.06Å; P34-A37 VanDerWaalsContact O-N 3.16Å; P34-E38 WeakPolarHBondContact O-CG 3.46Å; P34-E38 PolarHBondContact O-N 2.92Å; P34-H73 PolarHBondContact O-CE1 3.4Å
35E93.6Very high91.6Very high117 Ų11754.3 Ų54.355%0.54731%0.306SS..Hα-helixtrans-65.5-45.4-175-61.171.7-155.200111.5S33 A37 E38 C39S33-E35 WeakPolarHBondContact CB-OE2 3.27Å; S33-E35 PolarHBondContact O-N 2.94Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 2.64Å; E35-E38 WeakPolarHBondContact O-CB 3.28Å; E35-E38 PolarHBondContact O-N 3.19Å; E35-E38 VanDerWaalsContact O-N 3.17Å; E35-C39 PolarHBondContact O-N 2.9Å; E35-C39 PolarHBondContact O-SG 3.39Å
36E93.4Very high91.8Very high97 Ų9756.8 Ų56.845%0.45332%0.321SS..Hα-helixtrans-62.5-37.9173.9-71.1163.213600111.6L32 S33 E38 C39 I40L32-E36 HydrophobicContact CD1-CB 3.58Å; L32-E36 HydrophobicContact CD1-CG 4.4Å; L32-E36 HydrophobicContact CG-CB 3.98Å; S33-E36 WeakPolarHBondContact CB-OE2 3.48Å; S33-E36 PolarHBondContact N-OE2 2.86Å; S33-E36 VanDerWaalsContact OG-CB 3.28Å; S33-E36 WeakPolarHBondContact OG-CB 3.36Å; S33-E36 WeakPolarHBondContact OG-CG 3.28Å; S33-E36 PolarHBondContact OG-N 3.14Å; S33-E36 VanDerWaalsContact OG-N 3.07Å; S33-E36 PolarHBondContact OG-OE2 3.4Å; E36-E38 VanDerWaalsContact C-N 3.31Å; E36-E38 PolarHBondContact O-N 3.46Å; E36-C39 PolarHBondContact O-N 3.47Å; E36-I40 WeakPolarHBondContact O-CD1 3.4Å; E36-I40 WeakPolarHBondContact O-CG1 3.38Å; E36-I40 PolarHBondContact O-N 3.18Å
37A93.5Very high91.9Very high0 Ų054.2 Ų54.20%031%0.305CS..Hα-helixtrans-65-36.217600000112.1L32 S33 P34 E35 I40 L41 L50 S64L32-A37 HydrophobicContact CD2-CB 3.78Å; L32-A37 HydrophobicContact CG-CB 4.43Å; S33-A37 WeakPolarHBondContact O-CB 3.34Å; S33-A37 PolarHBondContact O-N 2.74Å; S33-A37 VanDerWaalsContact O-N 3.09Å; P34-A37 WeakPolarHBondContact O-CB 3.44Å; P34-A37 PolarHBondContact O-N 3.06Å; P34-A37 VanDerWaalsContact O-N 3.16Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 2.64Å; A37-I40 PolarHBondContact O-N 3.25Å; A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 WeakPolarHBondContact O-CG 3.32Å; A37-L41 PolarHBondContact O-N 2.92Å; A37-L41 VanDerWaalsContact O-N 3.1Å; A37-L50 HydrophobicContact CB-CD1 4.01Å; A37-L50 HydrophobicContact CB-CD2 4.28Å; A37-S64 WeakPolarHBondContact CB-OG 3.4Å
38E94Very high92.1Very high90 Ų9051.5 Ų51.542%0.42129%0.294SS..Hα-helixtrans-62.6-47.7172.3-66.3-174.7169.200111.1P34 E35 E36 I40 L41 V42 V71 H73P34-E38 WeakPolarHBondContact O-CG 3.46Å; P34-E38 PolarHBondContact O-N 2.92Å; E35-E38 WeakPolarHBondContact O-CB 3.28Å; E35-E38 PolarHBondContact O-N 3.19Å; E35-E38 VanDerWaalsContact O-N 3.17Å; E36-E38 VanDerWaalsContact C-N 3.31Å; E36-E38 PolarHBondContact O-N 3.46Å; E38-I40 VanDerWaalsContact C-N 3.28Å; E38-I40 PolarHBondContact O-N 3.26Å; E38-L41 PolarHBondContact O-N 3.41Å; E38-L41 VanDerWaalsContact O-N 3.12Å; E38-V42 WeakPolarHBondContact O-CB 3.32Å; E38-V42 PolarHBondContact O-N 2.89Å; E38-V71 HydrophobicContact CB-CB 4.47Å; E38-V71 HydrophobicContact CG-CB 4.01Å; E38-V71 HydrophobicContact CG-CG1 3.97Å; E38-H73 IonicContact OE1-NE2 3.28Å; E38-H73 PolarHBondContact OE1-NE2 3.42Å
39C93.8Very high92.2Very high97 Ų9751 Ų5166%0.65529%0.293SS*.Hα-helixtrans-57.6-38.4176.3-66.20000112.8E35 E36 V42E35-C39 PolarHBondContact O-N 2.9Å; E35-C39 PolarHBondContact O-SG 3.39Å; E36-C39 PolarHBondContact O-N 3.47Å; C39-V42 WeakPolarHBondContact O-CG1 3.09Å
40I92.9Very high92.2Very high29 Ų2950.4 Ų50.415%0.14929%0.29CS..Hα-helixtrans-70.6-35.6178.2-69.9157.9000111.9W29 L32 E36 A37 E38 K44 L50 I136W29-I40 HydrophobicContact CE3-CD1 3.85Å; W29-I40 HydrophobicContact CH2-CD1 3.68Å; W29-I40 HydrophobicContact CH2-CG1 4.28Å; W29-I40 HydrophobicContact CH2-CG2 4.14Å; W29-I40 HydrophobicContact CZ2-CD1 4.45Å; W29-I40 HydrophobicContact CZ2-CG2 4.25Å; W29-I40 HydrophobicContact CZ3-CD1 3.38Å; W29-I40 HydrophobicContact CZ3-CG1 4.36Å; L32-I40 HydrophobicContact CD1-CD1 3.99Å; L32-I40 HydrophobicContact CD2-CD1 3.85Å; E36-I40 WeakPolarHBondContact O-CD1 3.4Å; E36-I40 WeakPolarHBondContact O-CG1 3.38Å; E36-I40 PolarHBondContact O-N 3.18Å; A37-I40 PolarHBondContact O-N 3.25Å; E38-I40 VanDerWaalsContact C-N 3.28Å; E38-I40 PolarHBondContact O-N 3.26Å; I40-K44 WeakPolarHBondContact O-CE 3.4Å; I40-K44 WeakPolarHBondContact O-CG 3.28Å; I40-L50 HydrophobicContact CB-CD2 4.3Å; I40-L50 HydrophobicContact CD1-CD2 4.42Å; I40-L50 HydrophobicContact CG2-CD2 3.93Å; I40-I136 HydrophobicContact CG2-CG2 3.74Å
41L92.7Very high92.3Very high0 Ų050.1 Ų50.10%029%0.287CS..Hα-helixtrans-93.9-17.2-171.6-72.8170.5000114.1A37 E38 D43 K44 L50 K66 V71 I136A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 WeakPolarHBondContact O-CG 3.32Å; A37-L41 PolarHBondContact O-N 2.92Å; A37-L41 VanDerWaalsContact O-N 3.1Å; E38-L41 PolarHBondContact O-N 3.41Å; E38-L41 VanDerWaalsContact O-N 3.12Å; L41-D43 VanDerWaalsContact C-N 3.31Å; L41-D43 PolarHBondContact O-N 3.27Å; L41-K44 PolarHBondContact O-N 3.05Å; L41-K44 VanDerWaalsContact O-N 3.09Å; L41-L50 HydrophobicContact CD1-CD2 4.24Å; L41-L50 HydrophobicContact CD1-CG 4.23Å; L41-L50 HydrophobicContact CG-CD2 4.16Å; L41-K66 HydrophobicContact CB-CB 4.44Å; L41-K66 HydrophobicContact CD2-CB 4.49Å; L41-K66 WeakPolarHBondContact O-CD 3.43Å; L41-V71 HydrophobicContact CB-CG1 4.22Å; L41-V71 HydrophobicContact CB-CG2 3.59Å; L41-V71 HydrophobicContact CD1-CG1 3.73Å; L41-I136 HydrophobicContact CD2-CG1 3.69Å
42V91.5Very high92.4Very high74 Ų7446 Ų4645%0.44825%0.252SS..THydrogen-bonded Turntrans-55.1-44.4-172.868.30000112.7E38 C39 K66E38-V42 WeakPolarHBondContact O-CB 3.32Å; E38-V42 PolarHBondContact O-N 2.89Å; C39-V42 WeakPolarHBondContact O-CG1 3.09Å; V42-K66 PolarHBondContact O-NZ 2.66Å
43D90.5Very high92.4Very high143 Ų14347.2 Ų47.277%0.76526%0.258SS*.THydrogen-bonded Turntrans-96.114.7-177.9-61.1-36.9000113.6L41L41-D43 VanDerWaalsContact C-N 3.31Å; L41-D43 PolarHBondContact O-N 3.27Å
44K93.1Very high92.4Very high68 Ų6846.4 Ų46.430%0.29625%0.253SS..SBendtrans-97.1153.2179.6-56.3-57.8177.6-160.60110.8I40 L41 S48 I136I40-K44 WeakPolarHBondContact O-CE 3.4Å; I40-K44 WeakPolarHBondContact O-CG 3.28Å; L41-K44 PolarHBondContact O-N 3.05Å; L41-K44 VanDerWaalsContact O-N 3.09Å; K44-S48 WeakPolarHBondContact CB-OG 3.43Å; K44-I136 HydrophobicContact CB-CD1 4.43Å; K44-I136 HydrophobicContact CD-CD1 4.23Å; K44-I136 HydrophobicContact CG-CD1 4.03Å
45P92.7Very high92.1Very high80 Ų8049.6 Ų49.652%0.51928%0.275SS..PPolyproline II helixtrans-62.6153.6177.825.2-34.1000111.4G47 S48P45-G47 PolarHBondContact O-N 3.36Å; P45-S48 WeakPolarHBondContact CD-OG 3.38Å; P45-S48 VanDerWaalsContact O-CB 3.25Å; P45-S48 WeakPolarHBondContact O-CB 3.08Å; P45-S48 PolarHBondContact O-N 2.93Å; P45-S48 PolarHBondContact O-OG 3.41Å
46V89.6Confident91.7Very high66 Ų6645.1 Ų45.140%0.426%0.255SS..THydrogen-bonded Turntrans-52.9135.6174.2178.80000110.2E68V46-E68 HydrophobicContact CG1-CG 4.15Å; V46-E68 HydrophobicContact CG2-CG 4.46Å
47G88.7Confident91.2Very high0 Ų049.2 Ų49.20%028%0.279CS..THydrogen-bonded Turntrans83.412.3-175.100000115.2P45 K66 T131 K133 N134P45-G47 PolarHBondContact O-N 3.36Å; G47-K66 PolarHBondContact N-O 2.82Å; G47-T131 CarbonylContact C-O 3.59Å; G47-T131 WeakPolarHBondContact CA-O 3.48Å; G47-T131 WeakPolarHBondContact CA-OG1 2.95Å; G47-T131 VanDerWaalsContact O-O 3.07Å; G47-K133 PolarHBondContact O-N 2.65Å; G47-N134 PolarHBondContact O-N 3.44Å
48S92.4Very high90.8Very high0 Ų058.1 Ų58.10%031%0.313CS..EExtended strand (participates in β ladder)trans-73.6141.1165.1-59.40000111.1K44 P45 Y65 K66 N134K44-S48 WeakPolarHBondContact CB-OG 3.43Å; P45-S48 WeakPolarHBondContact CD-OG 3.38Å; P45-S48 VanDerWaalsContact O-CB 3.25Å; P45-S48 WeakPolarHBondContact O-CB 3.08Å; P45-S48 PolarHBondContact O-N 2.93Å; P45-S48 PolarHBondContact O-OG 3.41Å; S48-Y65 CarbonylContact O-C 3.47Å; S48-Y65 WeakPolarHBondContact O-CA 3.17Å; S48-K66 PolarHBondContact O-N 3.05Å; S48-N134 CarbonylContact C-O 3.57Å; S48-N134 WeakPolarHBondContact CA-O 3.24Å
49F92.4Very high90.3Very high10 Ų1056.1 Ų56.14%0.04430%0.304CS..EExtended strand (participates in β ladder)trans-149.9158.9-177.372.1-84.7000112.9W27 L63 S64 F102 F132 N134 P135 I136W27-F49 HydrophobicContact CG-CE2 4.38Å; F49-L63 HydrophobicContact CB-CD1 4.01Å; F49-L63 HydrophobicContact CD2-CD1 4.06Å; F49-L63 HydrophobicContact CG-CD1 4.43Å; F49-S64 CarbonylContact C-O 3.58Å; F49-S64 WeakPolarHBondContact CA-O 3.17Å; F49-F102 HydrophobicContact CD2-CD1 4.42Å; F49-F102 AromaticContact CD2-CE1 3.86Å; F49-F102 HydrophobicContact CD2-CE1 3.86Å; F49-F102 AromaticContact CE2-CD1 3.8Å; F49-F102 HydrophobicContact CE2-CD1 3.8Å; F49-F102 AromaticContact CE2-CE1 3.64Å; F49-F102 HydrophobicContact CE2-CE1 3.64Å; F49-F102 HydrophobicContact CZ-CD1 4.28Å; F49-F132 HydrophobicContact CB-CD1 4.28Å; F49-F132 HydrophobicContact CD1-CB 4.07Å; F49-F132 AromaticContact CD1-CD1 3.93Å; F49-F132 HydrophobicContact CD1-CD1 3.93Å; F49-F132 HydrophobicContact CD2-CD1 4.3Å; F49-F132 HydrophobicContact CE1-CB 3.82Å; F49-F132 HydrophobicContact CE1-CD1 4.32Å; F49-F132 AromaticContact CG-CD1 3.91Å; F49-F132 HydrophobicContact CG-CD1 3.91Å; F49-F132 HydrophobicContact CZ-CB 4.39Å; F49-N134 PolarHBondContact N-O 3.08Å; F49-P135 HydrophobicContact CE1-CB 3.91Å; F49-P135 HydrophobicContact CE1-CG 4.42Å; F49-P135 HydrophobicContact CE2-CB 4.19Å; F49-P135 HydrophobicContact CZ-CB 3.65Å; F49-P135 HydrophobicContact CZ-CG 4.36Å; F49-I136 PolarHBondContact O-N 3.32Å
50L93.2Very high90Very high0 Ų056.6 Ų56.60%030%0.295CS..EExtended strand (participates in β ladder)trans-144.9159.8170.963.282.6000110W29 L32 A37 I40 L41 R52 S64 I136W29-L50 HydrophobicContact CD2-CD2 4.47Å; W29-L50 HydrophobicContact CG-CB 4.37Å; W29-L50 HydrophobicContact CG-CD1 4.43Å; L32-L50 HydrophobicContact CD2-CD1 3.71Å; L32-L50 HydrophobicContact CD2-CD2 3.97Å; A37-L50 HydrophobicContact CB-CD1 4.01Å; A37-L50 HydrophobicContact CB-CD2 4.28Å; I40-L50 HydrophobicContact CB-CD2 4.3Å; I40-L50 HydrophobicContact CD1-CD2 4.42Å; I40-L50 HydrophobicContact CG2-CD2 3.93Å; L41-L50 HydrophobicContact CD1-CD2 4.24Å; L41-L50 HydrophobicContact CD1-CG 4.23Å; L41-L50 HydrophobicContact CG-CD2 4.16Å; L50-R52 HydrophobicContact CD1-CB 4.25Å; L50-R52 HydrophobicContact CD1-CG 4.42Å; L50-S64 PolarHBondContact N-O 2.93Å; L50-S64 PolarHBondContact O-N 2.83Å; L50-S64 VanDerWaalsContact O-O 3.06Å; L50-I136 HydrophobicContact CB-CB 4.37Å
51V92.7Very high90Very high0 Ų055.3 Ų55.30%029%0.288CS..EExtended strand (participates in β ladder)trans-117.5135.2174.1-174.30000109.9F22 W27 Y28 W29 F61 S62 L63 I76 F102F22-V51 HydrophobicContact CE1-CB 3.96Å; F22-V51 HydrophobicContact CE1-CG1 3.49Å; F22-V51 VanDerWaalsContact CE1-CG1 3.49Å; F22-V51 HydrophobicContact CZ-CB 3.64Å; F22-V51 HydrophobicContact CZ-CG1 3.52Å; F22-V51 HydrophobicContact CZ-CG2 3.78Å; W27-V51 PolarHBondContact O-N 3.38Å; Y28-V51 CarbonylContact C-O 3.59Å; Y28-V51 WeakPolarHBondContact CA-O 3.31Å; W29-V51 PolarHBondContact N-O 2.84Å; V51-F61 HydrophobicContact CG1-CB 3.98Å; V51-F61 HydrophobicContact CG1-CG 4.43Å; V51-S62 WeakPolarHBondContact CA-O 3.41Å; V51-L63 HydrophobicContact CG2-CD1 4.33Å; V51-I76 HydrophobicContact CG1-CD1 4.2Å; V51-F102 HydrophobicContact CG2-CE1 4.16Å; V51-F102 HydrophobicContact CG2-CE2 3.73Å; V51-F102 HydrophobicContact CG2-CZ 3.26Å
52R93.6Very high89.9Confident9 Ų955.5 Ų55.53%0.03429%0.289CS..EExtended strand (participates in β ladder)trans-132168.4-177.661.5-171.2-176.482.5-5.2110G30 L32 L50 F61 S62 S64G30-R52 CarbonylContact O-C 3.56Å; G30-R52 WeakPolarHBondContact O-CA 3.38Å; L32-R52 HydrophobicContact CB-CB 3.82Å; L32-R52 WeakPolarHBondContact O-CD 3.41Å; L50-R52 HydrophobicContact CD1-CB 4.25Å; L50-R52 HydrophobicContact CD1-CG 4.42Å; R52-F61 CarbonylContact O-C 3.59Å; R52-F61 WeakPolarHBondContact O-CA 3.39Å; R52-S62 WeakPolarHBondContact CG-O 3.39Å; R52-S62 PolarHBondContact N-O 3.01Å; R52-S62 PolarHBondContact O-N 2.98Å; R52-S64 WeakPolarHBondContact CD-OG 3.47Å; R52-S64 PolarHBondContact NE-OG 3.18Å
53D92.6Very high89.8Confident44 Ų4452 Ų5224%0.23527%0.268CS..EExtended strand (participates in β ladder)trans-65.5145.6171.5-64.5-23.6000110.1Y28 G30 A31Y28-D53 WeakPolarHBondContact CE2-OD1 3.32Å; Y28-D53 PolarHBondContact OH-OD1 3.31Å; Y28-D53 PolarHBondContact OH-OD2 2.95Å; G30-D53 PolarHBondContact O-N 3.37Å; A31-D53 PolarHBondContact N-OD2 3.33Å; A31-D53 VanDerWaalsContact N-OD2 3.08Å
54S91Very high89.9Confident21 Ų2145.2 Ų45.215%0.14723%0.232CC..  trans-78.1141173.1-147.30000110.6H59 F60 S62S54-H59 WeakPolarHBondContact CB-O 3.5Å; S54-F60 PolarHBondContact N-O 2.92Å; S54-F60 VanDerWaalsContact N-O 3.11Å; S54-S62 WeakPolarHBondContact CA-OG 3.43Å; S54-S62 WeakPolarHBondContact CB-OG 3.35Å; S54-S62 PolarHBondContact OG-OG 2.99Å
55S86.8Confident89.8Confident96 Ų9642 Ų4267%0.67122%0.218SC*.SBendtrans-78.2-10.8166.651.80000112.6
56D85.3Confident89.7Confident23 Ų2339.8 Ų39.812%0.12320%0.2CC..SBendtrans-95.3121.8177.5-172.5-37.3000110R58 H59 R75D56-R58 PolarHBondContact O-N 3.11Å; D56-R58 VanDerWaalsContact OD1-CB 3.28Å; D56-R58 WeakPolarHBondContact OD1-CB 3.32Å; D56-R58 WeakPolarHBondContact OD1-CG 3.17Å; D56-R58 IonicContact OD1-CZ 3.25Å; D56-R58 PolarHBondContact OD1-N 3.4Å; D56-R58 IonicContact OD1-NE 3.99Å; D56-R58 PolarHBondContact OD1-NE 3.4Å; D56-R58 IonicContact OD1-NH2 3.85Å; D56-R58 IonicContact OD2-CZ 2.84Å; D56-R58 IonicContact OD2-NE 3.48Å; D56-R58 PolarHBondContact OD2-NE 3.08Å; D56-R58 IonicContact OD2-NH2 3.94Å; D56-R58 PolarHBondContact OD2-NH2 2.55Å; D56-H59 PolarHBondContact O-N 2.91Å; D56-R75 IonicContact OD2-CZ 2.94Å; D56-R75 IonicContact OD2-NE 3.87Å; D56-R75 IonicContact OD2-NH1 3.89Å; D56-R75 PolarHBondContact OD2-NH1 2.92Å; D56-R75 IonicContact OD2-NH2 3.01Å; D56-R75 PolarHBondContact OD2-NH2 3.33Å
57L82.9Confident89.5Confident183 Ų18336.7 Ų36.796%0.95818%0.182SC*.THydrogen-bonded Turntrans-58.8-16.7-178.4-64.3174.4000114.4H59L57-H59 VanDerWaalsContact C-N 3.31Å
58R83.8Confident89.3Confident187 Ų18744.1 Ų44.171%0.70622%0.216SC*.THydrogen-bonded Turntrans-80.4-11.7177.5-60.5173.8-67.3-178.2-2.1113.5D56D56-R58 PolarHBondContact O-N 3.11Å; D56-R58 VanDerWaalsContact OD1-CB 3.28Å; D56-R58 WeakPolarHBondContact OD1-CB 3.32Å; D56-R58 WeakPolarHBondContact OD1-CG 3.17Å; D56-R58 IonicContact OD1-CZ 3.25Å; D56-R58 PolarHBondContact OD1-N 3.4Å; D56-R58 IonicContact OD1-NE 3.99Å; D56-R58 PolarHBondContact OD1-NE 3.4Å; D56-R58 IonicContact OD1-NH2 3.85Å; D56-R58 IonicContact OD2-CZ 2.84Å; D56-R58 IonicContact OD2-NE 3.48Å; D56-R58 PolarHBondContact OD2-NE 3.08Å; D56-R58 IonicContact OD2-NH2 3.94Å; D56-R58 PolarHBondContact OD2-NH2 2.55Å
59H85Confident88.9Confident49 Ų4952.3 Ų52.323%0.22725%0.252CS..  trans-132.6138.3-175.8-56.977.2000109.4S54 D56 L57 R75 I76S54-H59 WeakPolarHBondContact CB-O 3.5Å; D56-H59 PolarHBondContact O-N 2.91Å; L57-H59 VanDerWaalsContact C-N 3.31Å; H59-R75 HydrophobicContact CB-CB 4.19Å; H59-I76 PolarHBondContact CD2-O 3.35Å
60F87.5Confident88.7Confident106 Ų10657.2 Ų57.247%0.46527%0.27SS..SBendtrans-78.8-36.5178.1-61.6-83.7000111.7M19 S54M19-F60 HydrophobicContact CE-CB 3.8Å; M19-F60 HydrophobicContact CE-CD1 3.54Å; M19-F60 HydrophobicContact CE-CD2 3.12Å; M19-F60 HydrophobicContact CE-CE1 3.8Å; M19-F60 HydrophobicContact CE-CE2 3.41Å; M19-F60 VanDerWaalsContact CE-CE2 3.41Å; M19-F60 HydrophobicContact CE-CG 3.18Å; M19-F60 HydrophobicContact CE-CZ 3.73Å; M19-F60 HydrophobicContact SD-CD1 3.94Å; M19-F60 HydrophobicContact SD-CE1 4.21Å; M19-F60 HydrophobicContact SD-CG 4.08Å; S54-F60 PolarHBondContact N-O 2.92Å; S54-F60 VanDerWaalsContact N-O 3.11Å
61F91.1Very high88.5Confident3 Ų357.9 Ų57.91%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-132.2153.2-172.7-56.3-66.1000112.5M19 F22 Y28 V51 R52 I76 L98M19-F61 HydrophobicContact CB-CE2 4.47Å; M19-F61 HydrophobicContact CB-CZ 4.33Å; M19-F61 HydrophobicContact CG-CE2 3.9Å; M19-F61 HydrophobicContact CG-CZ 4.17Å; F22-F61 HydrophobicContact CD1-CD1 4.45Å; F22-F61 HydrophobicContact CD1-CD2 4.42Å; F22-F61 HydrophobicContact CD1-CE1 4.13Å; F22-F61 HydrophobicContact CD1-CE2 4.1Å; F22-F61 AromaticContact CD1-CZ 3.94Å; F22-F61 HydrophobicContact CD1-CZ 3.94Å; F22-F61 HydrophobicContact CE1-CD1 4.32Å; F22-F61 HydrophobicContact CE1-CE1 4.41Å; F22-F61 HydrophobicContact CE1-CG 4.42Å; Y28-F61 HydrophobicContact CD2-CD1 4.47Å; Y28-F61 HydrophobicContact CD2-CE1 4.37Å; Y28-F61 AromaticContact CE2-CD1 3.84Å; Y28-F61 HydrophobicContact CE2-CD1 3.84Å; Y28-F61 AromaticContact CE2-CE1 3.62Å; Y28-F61 HydrophobicContact CE2-CE1 3.62Å; V51-F61 HydrophobicContact CG1-CB 3.98Å; V51-F61 HydrophobicContact CG1-CG 4.43Å; R52-F61 CarbonylContact O-C 3.59Å; R52-F61 WeakPolarHBondContact O-CA 3.39Å; F61-I76 HydrophobicContact CB-CB 4.4Å; F61-I76 HydrophobicContact CB-CD1 4.01Å; F61-I76 HydrophobicContact CB-CG1 4.37Å; F61-I76 PolarHBondContact O-N 2.92Å; F61-L98 HydrophobicContact CD2-CD1 3.47Å; F61-L98 VanDerWaalsContact CD2-CD1 3.47Å; F61-L98 HydrophobicContact CE2-CD1 3.32Å; F61-L98 HydrophobicContact CZ-CD1 4.31Å
62S91.1Very high88.2Confident4 Ų458.6 Ų58.63%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-125.4136.5169.5-63.20000109.8V51 R52 S54 S74V51-S62 WeakPolarHBondContact CA-O 3.41Å; R52-S62 WeakPolarHBondContact CG-O 3.39Å; R52-S62 PolarHBondContact N-O 3.01Å; R52-S62 PolarHBondContact O-N 2.98Å; S54-S62 WeakPolarHBondContact CA-OG 3.43Å; S54-S62 WeakPolarHBondContact CB-OG 3.35Å; S54-S62 PolarHBondContact OG-OG 2.99Å; S62-S74 CarbonylContact C-O 3.5Å; S62-S74 VanDerWaalsContact CA-O 3.27Å; S62-S74 WeakPolarHBondContact CA-O 3.2Å
63L90.8Very high87.9Confident0 Ų060.6 Ų60.60%029%0.287CS..EExtended strand (participates in β ladder)trans-87.7124.7168.3168.765.6000108.6F49 V51 Y65 H73 S74 F85 F102 F132F49-L63 HydrophobicContact CB-CD1 4.01Å; F49-L63 HydrophobicContact CD2-CD1 4.06Å; F49-L63 HydrophobicContact CG-CD1 4.43Å; V51-L63 HydrophobicContact CG2-CD1 4.33Å; L63-Y65 HydrophobicContact CD2-CD1 4.47Å; L63-Y65 HydrophobicContact CG-CD1 4.49Å; L63-H73 CarbonylContact O-C 3.51Å; L63-H73 WeakPolarHBondContact O-CA 3.36Å; L63-S74 PolarHBondContact N-O 3Å; L63-S74 PolarHBondContact O-N 3.48Å; L63-F85 HydrophobicContact CB-CE1 4.17Å; L63-F85 HydrophobicContact CD2-CD1 3.97Å; L63-F85 HydrophobicContact CD2-CE1 3.65Å; L63-F85 HydrophobicContact CD2-CZ 4.31Å; L63-F85 HydrophobicContact CG-CE1 4.44Å; L63-F102 HydrophobicContact CD1-CE1 3.94Å; L63-F102 HydrophobicContact CD1-CZ 4.08Å; L63-F132 HydrophobicContact CD1-CE1 4.01Å; L63-F132 HydrophobicContact CD2-CE1 3.47Å; L63-F132 VanDerWaalsContact CD2-CE1 3.47Å; L63-F132 HydrophobicContact CD2-CZ 3.75Å; L63-F132 HydrophobicContact CG-CE1 4.32Å
64S91.5Very high87.5Confident0 Ų058.8 Ų58.80%028%0.277CS..EExtended strand (participates in β ladder)trans-107.2132.5164.3-63.50000108.6A37 F49 L50 R52 Y72 H73A37-S64 WeakPolarHBondContact CB-OG 3.4Å; F49-S64 CarbonylContact C-O 3.58Å; F49-S64 WeakPolarHBondContact CA-O 3.17Å; L50-S64 PolarHBondContact N-O 2.93Å; L50-S64 PolarHBondContact O-N 2.83Å; L50-S64 VanDerWaalsContact O-O 3.06Å; R52-S64 WeakPolarHBondContact CD-OG 3.47Å; R52-S64 PolarHBondContact NE-OG 3.18Å; S64-Y72 CarbonylContact C-O 3.58Å; S64-Y72 WeakPolarHBondContact CA-O 3.47Å; S64-H73 PolarHBondContact OG-CE1 2.83Å; S64-H73 PolarHBondContact OG-ND1 2.98Å
65Y90.8Very high87.4Confident0 Ų062.9 Ų62.90%029%0.29CS..EExtended strand (participates in β ladder)trans-145151.3-178.383.8-91.1000112.1S48 L63 V71 Y72 L118 V130S48-Y65 CarbonylContact O-C 3.47Å; S48-Y65 WeakPolarHBondContact O-CA 3.17Å; L63-Y65 HydrophobicContact CD2-CD1 4.47Å; L63-Y65 HydrophobicContact CG-CD1 4.49Å; Y65-V71 CarbonylContact O-C 3.52Å; Y65-V71 WeakPolarHBondContact O-CA 3.47Å; Y65-Y72 HydrophobicContact CE1-CD2 4.25Å; Y65-Y72 AromaticContact CE1-CG 3.9Å; Y65-Y72 HydrophobicContact CE1-CG 3.9Å; Y65-Y72 AromaticContact CE2-CD2 3.71Å; Y65-Y72 HydrophobicContact CE2-CD2 3.71Å; Y65-Y72 HydrophobicContact CE2-CG 4.21Å; Y65-Y72 AromaticContact CZ-CD2 3.42Å; Y65-Y72 VanDerWaalsContact CZ-CD2 3.42Å; Y65-Y72 AromaticContact CZ-CG 3.48Å; Y65-Y72 VanDerWaalsContact CZ-CG 3.48Å; Y65-Y72 PolarHBondContact N-O 2.98Å; Y65-Y72 PolarHBondContact O-N 2.86Å; Y65-Y72 VanDerWaalsContact OH-CB 3.27Å; Y65-Y72 WeakPolarHBondContact OH-CB 3.37Å; Y65-Y72 WeakPolarHBondContact OH-CD2 3.42Å; Y65-L118 HydrophobicContact CD1-CD2 4.32Å; Y65-L118 HydrophobicContact CE1-CD1 3.28Å; Y65-L118 HydrophobicContact CE1-CD2 3.51Å; Y65-L118 HydrophobicContact CE1-CG 3.95Å; Y65-L118 WeakPolarHBondContact OH-CD1 3.35Å; Y65-V130 HydrophobicContact CD1-CG1 3.97Å; Y65-V130 HydrophobicContact CD1-CG2 4.35Å; Y65-V130 HydrophobicContact CD2-CB 4.24Å; Y65-V130 HydrophobicContact CD2-CG1 3.3Å; Y65-V130 HydrophobicContact CD2-CG2 4.13Å; Y65-V130 HydrophobicContact CE1-CG1 4.11Å; Y65-V130 HydrophobicContact CE1-CG2 3.64Å; Y65-V130 HydrophobicContact CE2-CB 3.96Å; Y65-V130 HydrophobicContact CE2-CG1 3.53Å; Y65-V130 HydrophobicContact CE2-CG2 3.44Å; Y65-V130 VanDerWaalsContact CE2-CG2 3.44Å; Y65-V130 HydrophobicContact CG-CG1 3.57Å; Y65-V130 WeakPolarHBondContact OH-CG2 3.29Å
66K90.7Very high87.4Confident34 Ų3458.5 Ų58.515%0.14826%0.259CS..EExtended strand (participates in β ladder)trans-88.5109.4177.317965.4177.4-161.20110L41 V42 G47 S48 V71L41-K66 HydrophobicContact CB-CB 4.44Å; L41-K66 HydrophobicContact CD2-CB 4.49Å; L41-K66 WeakPolarHBondContact O-CD 3.43Å; V42-K66 PolarHBondContact O-NZ 2.66Å; G47-K66 PolarHBondContact N-O 2.82Å; S48-K66 PolarHBondContact O-N 3.05Å; K66-V71 HydrophobicContact CD-CG2 4.06Å
67G86.7Confident87.4Confident2 Ų257.6 Ų57.62%0.02126%0.255CS..  trans-87.2-172167.400000112.2R70 E128G67-R70 WeakPolarHBondContact CA-O 3.27Å; G67-R70 PolarHBondContact N-O 3.07Å; G67-E128 WeakPolarHBondContact CA-OE1 3.25Å
68E83.6Confident87.4Confident155 Ų15551.9 Ų51.972%0.72422%0.223SC*.SBendtrans-69.4-42.5178.7-67.4-175.6170.300111.2V46 E128V46-E68 HydrophobicContact CG1-CG 4.15Å; V46-E68 HydrophobicContact CG2-CG 4.46Å; E68-E128 PolarHBondContact N-OE1 3.07Å
69K83.7Confident87.3Confident172 Ų17247.2 Ų47.275%0.74821%0.212SC*.SBendtrans-91.9-38.7-173-64.1178.1-177.5171.90113.4
70R87.5Confident87.1Confident114 Ų11452.5 Ų52.543%0.4323%0.234SC..SBendtrans-158.1177.5-173.861.7173.7177.3-171.9-2.4111.6G67 Y72G67-R70 WeakPolarHBondContact CA-O 3.27Å; G67-R70 PolarHBondContact N-O 3.07Å; R70-Y72 HydrophobicContact CG-CD1 4.32Å; R70-Y72 HydrophobicContact CG-CD2 4Å; R70-Y72 HydrophobicContact CG-CE1 3.88Å; R70-Y72 HydrophobicContact CG-CE2 3.55Å; R70-Y72 HydrophobicContact CG-CG 4.35Å; R70-Y72 VanDerWaalsContact CG-CZ 3.43Å; R70-Y72 WeakPolarHBondContact O-CD2 3.5Å; R70-Y72 WeakPolarHBondContact O-CE2 3.49Å
71V89Confident86.6Confident14 Ų1447.8 Ų47.89%0.08522%0.216CC..EExtended strand (participates in β ladder)trans-81.6142.6163.9178.60000108.4E38 L41 Y65 K66E38-V71 HydrophobicContact CB-CB 4.47Å; E38-V71 HydrophobicContact CG-CB 4.01Å; E38-V71 HydrophobicContact CG-CG1 3.97Å; L41-V71 HydrophobicContact CB-CG1 4.22Å; L41-V71 HydrophobicContact CB-CG2 3.59Å; L41-V71 HydrophobicContact CD1-CG1 3.73Å; Y65-V71 CarbonylContact O-C 3.52Å; Y65-V71 WeakPolarHBondContact O-CA 3.47Å; K66-V71 HydrophobicContact CD-CG2 4.06Å
72Y86.8Confident86.3Confident15 Ų1551.4 Ų51.46%0.05923%0.233CC..EExtended strand (participates in β ladder)trans-128.5153.4-176.3-69.9-91.2000109.8S64 Y65 R70 L118 E128S64-Y72 CarbonylContact C-O 3.58Å; S64-Y72 WeakPolarHBondContact CA-O 3.47Å; Y65-Y72 HydrophobicContact CE1-CD2 4.25Å; Y65-Y72 AromaticContact CE1-CG 3.9Å; Y65-Y72 HydrophobicContact CE1-CG 3.9Å; Y65-Y72 AromaticContact CE2-CD2 3.71Å; Y65-Y72 HydrophobicContact CE2-CD2 3.71Å; Y65-Y72 HydrophobicContact CE2-CG 4.21Å; Y65-Y72 AromaticContact CZ-CD2 3.42Å; Y65-Y72 VanDerWaalsContact CZ-CD2 3.42Å; Y65-Y72 AromaticContact CZ-CG 3.48Å; Y65-Y72 VanDerWaalsContact CZ-CG 3.48Å; Y65-Y72 PolarHBondContact N-O 2.98Å; Y65-Y72 PolarHBondContact O-N 2.86Å; Y65-Y72 VanDerWaalsContact OH-CB 3.27Å; Y65-Y72 WeakPolarHBondContact OH-CB 3.37Å; Y65-Y72 WeakPolarHBondContact OH-CD2 3.42Å; R70-Y72 HydrophobicContact CG-CD1 4.32Å; R70-Y72 HydrophobicContact CG-CD2 4Å; R70-Y72 HydrophobicContact CG-CE1 3.88Å; R70-Y72 HydrophobicContact CG-CE2 3.55Å; R70-Y72 HydrophobicContact CG-CG 4.35Å; R70-Y72 VanDerWaalsContact CG-CZ 3.43Å; R70-Y72 WeakPolarHBondContact O-CD2 3.5Å; R70-Y72 WeakPolarHBondContact O-CE2 3.49Å; Y72-L118 HydrophobicContact CD1-CD1 4.09Å; Y72-L118 HydrophobicContact CG-CD1 4.19Å; Y72-E128 VanDerWaalsContact CE2-CD 3.5Å; Y72-E128 WeakPolarHBondContact CE2-OE1 3.43Å; Y72-E128 VanDerWaalsContact CE2-OE2 3.24Å; Y72-E128 WeakPolarHBondContact CE2-OE2 3.46Å; Y72-E128 PolarHBondContact OH-OE2 3.3Å
73H87.4Confident86.1Confident51 Ų5151.4 Ų51.424%0.23623%0.232CC..EExtended strand (participates in β ladder)trans-126130.5-179.5-52.7-70.8000110.3P34 E38 L63 S64P34-H73 PolarHBondContact O-CE1 3.4Å; E38-H73 IonicContact OE1-NE2 3.28Å; E38-H73 PolarHBondContact OE1-NE2 3.42Å; L63-H73 CarbonylContact O-C 3.51Å; L63-H73 WeakPolarHBondContact O-CA 3.36Å; S64-H73 PolarHBondContact OG-CE1 2.83Å; S64-H73 PolarHBondContact OG-ND1 2.98Å
74S85.2Confident85.8Confident5 Ų553.2 Ų53.24%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-124.6140.6174.3-156.40000109.6S62 L63S62-S74 CarbonylContact C-O 3.5Å; S62-S74 VanDerWaalsContact CA-O 3.27Å; S62-S74 WeakPolarHBondContact CA-O 3.2Å; L63-S74 PolarHBondContact N-O 3Å; L63-S74 PolarHBondContact O-N 3.48Å
75R87.5Confident85.3Confident107 Ų10753.4 Ų53.440%0.40424%0.241SC..EExtended strand (participates in β ladder)trans-86.5141.1170-61.1-179.2-178.3141.3-3.2109.1D56 H59D56-R75 IonicContact OD2-CZ 2.94Å; D56-R75 IonicContact OD2-NE 3.87Å; D56-R75 IonicContact OD2-NH1 3.89Å; D56-R75 PolarHBondContact OD2-NH1 2.92Å; D56-R75 IonicContact OD2-NH2 3.01Å; D56-R75 PolarHBondContact OD2-NH2 3.33Å; H59-R75 HydrophobicContact CB-CB 4.19Å
76I87.4Confident84.4Confident5 Ų554.1 Ų54.13%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-90.2114175.3-53.1-176.2000107.5V51 H59 F61 F83 F84 F85 L98 L101 F102V51-I76 HydrophobicContact CG1-CD1 4.2Å; H59-I76 PolarHBondContact CD2-O 3.35Å; F61-I76 HydrophobicContact CB-CB 4.4Å; F61-I76 HydrophobicContact CB-CD1 4.01Å; F61-I76 HydrophobicContact CB-CG1 4.37Å; F61-I76 PolarHBondContact O-N 2.92Å; I76-F83 HydrophobicContact CG2-CB 4.38Å; I76-F84 CarbonylContact C-O 3.59Å; I76-F84 WeakPolarHBondContact CG2-O 3.33Å; I76-F85 HydrophobicContact CD1-CD1 4.43Å; I76-F85 HydrophobicContact CD1-CE1 3.79Å; I76-F85 HydrophobicContact CG1-CD1 3.94Å; I76-F85 HydrophobicContact CG1-CE1 3.8Å; I76-L98 HydrophobicContact CD1-CD2 4.15Å; I76-L98 HydrophobicContact CG2-CD2 3.68Å; I76-L101 HydrophobicContact CG2-CD2 3.83Å; I76-F102 HydrophobicContact CD1-CE2 4.29Å; I76-F102 HydrophobicContact CD1-CZ 4.37Å
77G85.7Confident83.1Confident4 Ų461.1 Ų61.14%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-75.6152.617700000111.3F83 F84G77-F83 WeakPolarHBondContact O-CA 3.43Å; G77-F84 PolarHBondContact N-O 3Å; G77-F84 PolarHBondContact O-N 2.95Å
78Q83.6Confident81.8Confident62 Ų6262.7 Ų62.729%0.2928%0.283SS..EExtended strand (participates in β ladder)trans-136.3120.9174.4-174-84.3-4300108.3Q82 F83Q78-Q82 CarbonylContact C-O 3.57Å; Q78-Q82 VanDerWaalsContact CA-O 3.29Å; Q78-Q82 WeakPolarHBondContact CA-O 3.35Å; Q78-F83 HydrophobicContact CB-CD1 3.99Å; Q78-F83 HydrophobicContact CB-CE1 4.07Å; Q78-F83 HydrophobicContact CG-CD1 3.91Å; Q78-F83 HydrophobicContact CG-CE1 3.66Å; Q78-F83 HydrophobicContact CG-CZ 4.22Å
79D81.6Confident80.5Confident89 Ų8961.9 Ų61.948%0.47629%0.289SS..EExtended strand (participates in β ladder)trans-140.2137.6175.8-174.636.8000110.2G81 Q82 F84D79-G81 PolarHBondContact O-N 3.27Å; D79-Q82 PolarHBondContact N-O 3.04Å; D79-Q82 PolarHBondContact O-N 3.5Å; D79-F84 HydrophobicContact CB-CE1 3.79Å
80K79.4Confident79.6Confident160 Ų16055.3 Ų55.370%0.69626%0.262SS*.THydrogen-bonded Turntrans47.332.3176.7-63.7170.7-171.9172.90115.4
81G78.2Confident78.6Confident7 Ų754.7 Ų54.77%0.07227%0.273CS..THydrogen-bonded Turntrans83.56.5-179.100000114.9D79D79-G81 PolarHBondContact O-N 3.27Å
82Q83.8Confident77.7Confident80 Ų8062 Ų6237%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-109.1148.1173.6-63.8178.9900110.5Q78 D79 C94 A95 L96Q78-Q82 CarbonylContact C-O 3.57Å; Q78-Q82 VanDerWaalsContact CA-O 3.29Å; Q78-Q82 WeakPolarHBondContact CA-O 3.35Å; D79-Q82 PolarHBondContact N-O 3.04Å; D79-Q82 PolarHBondContact O-N 3.5Å; Q82-C94 HydrophobicContact CB-CB 4.17Å; Q82-A95 CarbonylContact C-O 3.59Å; Q82-A95 WeakPolarHBondContact CA-O 3.42Å; Q82-L96 HydrophobicContact CG-CD2 3.98Å
83F86.8Confident77.1Confident3 Ų361.4 Ų61.41%0.01330%0.297CS..EExtended strand (participates in β ladder)trans-106144.6173.5-59.7-85.8000109.8M19 I76 G77 Q78 C94 A95 L98 L101M19-F83 HydrophobicContact CE-CE1 4.43Å; I76-F83 HydrophobicContact CG2-CB 4.38Å; G77-F83 WeakPolarHBondContact O-CA 3.43Å; Q78-F83 HydrophobicContact CB-CD1 3.99Å; Q78-F83 HydrophobicContact CB-CE1 4.07Å; Q78-F83 HydrophobicContact CG-CD1 3.91Å; Q78-F83 HydrophobicContact CG-CE1 3.66Å; Q78-F83 HydrophobicContact CG-CZ 4.22Å; F83-C94 CarbonylContact O-C 3.32Å; F83-C94 WeakPolarHBondContact O-CA 3.33Å; F83-A95 PolarHBondContact N-O 2.95Å; F83-A95 PolarHBondContact O-N 3.49Å; F83-L98 HydrophobicContact CB-CD2 3.84Å; F83-L98 HydrophobicContact CB-CG 4.45Å; F83-L98 HydrophobicContact CD1-CD1 4.43Å; F83-L98 HydrophobicContact CD1-CD2 3.61Å; F83-L98 HydrophobicContact CD1-CG 3.91Å; F83-L98 HydrophobicContact CD2-CD2 4.38Å; F83-L98 HydrophobicContact CD2-CG 4.11Å; F83-L98 HydrophobicContact CE1-CD1 4.24Å; F83-L98 HydrophobicContact CE1-CD2 4.24Å; F83-L98 HydrophobicContact CE1-CG 4.12Å; F83-L98 HydrophobicContact CE2-CG 4.32Å; F83-L98 HydrophobicContact CG-CD2 3.68Å; F83-L98 HydrophobicContact CG-CG 3.89Å; F83-L98 HydrophobicContact CZ-CD1 4.49Å; F83-L98 HydrophobicContact CZ-CG 4.32Å; F83-L101 HydrophobicContact CB-CD2 3.82Å
84F85.6Confident76.8Confident38 Ų3860 Ų6017%0.16729%0.293CS..EExtended strand (participates in β ladder)trans-150.9163.1178.458.5-91.3000110.8I76 G77 D79 G86 T88I76-F84 CarbonylContact C-O 3.59Å; I76-F84 WeakPolarHBondContact CG2-O 3.33Å; G77-F84 PolarHBondContact N-O 3Å; G77-F84 PolarHBondContact O-N 2.95Å; D79-F84 HydrophobicContact CB-CE1 3.79Å; F84-G86 WeakPolarHBondContact CE2-O 3.43Å; F84-T88 HydrophobicContact CB-CG2 3.99Å; F84-T88 HydrophobicContact CD2-CG2 4.39Å
85F80.8Confident76.8Confident5 Ų560.3 Ų60.32%0.02230%0.295CS..EExtended strand (participates in β ladder)trans-101.7141.1176.8-65.4-75.8000112.1L63 I76 T88 L101 F102 A105 F116L63-F85 HydrophobicContact CB-CE1 4.17Å; L63-F85 HydrophobicContact CD2-CD1 3.97Å; L63-F85 HydrophobicContact CD2-CE1 3.65Å; L63-F85 HydrophobicContact CD2-CZ 4.31Å; L63-F85 HydrophobicContact CG-CE1 4.44Å; I76-F85 HydrophobicContact CD1-CD1 4.43Å; I76-F85 HydrophobicContact CD1-CE1 3.79Å; I76-F85 HydrophobicContact CG1-CD1 3.94Å; I76-F85 HydrophobicContact CG1-CE1 3.8Å; F85-T88 WeakPolarHBondContact O-CG2 3.29Å; F85-L101 HydrophobicContact CD1-CD2 4.4Å; F85-L101 HydrophobicContact CD2-CD1 3.67Å; F85-L101 HydrophobicContact CD2-CD2 3.81Å; F85-L101 HydrophobicContact CD2-CG 3.71Å; F85-L101 HydrophobicContact CE1-CD2 4.19Å; F85-L101 HydrophobicContact CE2-CD1 3.8Å; F85-L101 HydrophobicContact CE2-CD2 3.66Å; F85-L101 HydrophobicContact CE2-CG 3.37Å; F85-L101 HydrophobicContact CG-CD2 4.23Å; F85-L101 HydrophobicContact CZ-CD2 3.84Å; F85-L101 HydrophobicContact CZ-CG 3.93Å; F85-F102 HydrophobicContact CE1-CE1 4.28Å; F85-F102 HydrophobicContact CE1-CE2 4.42Å; F85-F102 AromaticContact CE1-CZ 3.9Å; F85-F102 HydrophobicContact CE1-CZ 3.9Å; F85-F102 HydrophobicContact CZ-CD1 4.05Å; F85-F102 HydrophobicContact CZ-CD2 4.33Å; F85-F102 AromaticContact CZ-CE1 3.68Å; F85-F102 HydrophobicContact CZ-CE1 3.68Å; F85-F102 AromaticContact CZ-CE2 3.95Å; F85-F102 HydrophobicContact CZ-CE2 3.95Å; F85-F102 HydrophobicContact CZ-CG 4.34Å; F85-F102 AromaticContact CZ-CZ 3.57Å; F85-F102 HydrophobicContact CZ-CZ 3.57Å; F85-A105 HydrophobicContact CD2-CB 4.21Å; F85-A105 HydrophobicContact CE2-CB 3.65Å; F85-F116 HydrophobicContact CB-CD1 3.57Å; F85-F116 HydrophobicContact CB-CE1 3.35Å; F85-F116 HydrophobicContact CD1-CE1 4.18Å; F85-F116 HydrophobicContact CD2-CD1 4.39Å; F85-F116 AromaticContact CD2-CE1 3.38Å; F85-F116 HydrophobicContact CD2-CE1 3.38Å; F85-F116 HydrophobicContact CD2-CZ 4.05Å; F85-F116 HydrophobicContact CE2-CE1 4.04Å; F85-F116 HydrophobicContact CE2-CZ 4.43Å; F85-F116 HydrophobicContact CG-CD1 4Å; F85-F116 AromaticContact CG-CE1 3.41Å; F85-F116 HydrophobicContact CG-CE1 3.41Å; F85-F116 VanDerWaalsContact CG-CE1 3.41Å; F85-F116 HydrophobicContact CG-CZ 4.47Å
86G72.6Confident76.5Confident14 Ų1459.8 Ų59.814%0.14430%0.3CS..THydrogen-bonded Turntrans64.1-140.6176.700000112.7F84F84-G86 WeakPolarHBondContact CE2-O 3.43Å
87R62.9Low76.4Confident181 Ų18160.3 Ų60.368%0.68330%0.304SS*.THydrogen-bonded Turntrans-104.726.5177.3-85.9-161.1-157.3166.8-0.6113.7T89 Y119R87-T89 PolarHBondContact O-N 3.12Å; R87-Y119 WeakPolarHBondContact CB-OH 3.45Å; R87-Y119 WeakPolarHBondContact CD-OH 2.94Å; R87-Y119 HydrophobicContact CG-CE2 4.01Å; R87-Y119 WeakPolarHBondContact CG-OH 3.33Å; R87-Y119 PolarHBondContact NE-OH 2.86Å
88T59.5Low76.3Confident36 Ų3660.1 Ų60.122%0.22130%0.302CS..  trans-70.8119.1179.6-164.70000110.6F84 F85 D90 F114F84-T88 HydrophobicContact CB-CG2 3.99Å; F84-T88 HydrophobicContact CD2-CG2 4.39Å; F85-T88 WeakPolarHBondContact O-CG2 3.29Å; T88-D90 WeakPolarHBondContact OG1-CB 3.32Å; T88-D90 PolarHBondContact OG1-N 3.08Å; T88-F114 HydrophobicContact CG2-CZ 4.13Å
89T54.8Low76.5Confident138 Ų13860.5 Ų60.585%0.84731%0.305SS*.  trans-896.4162.251.10000111.4R87 P91R87-T89 PolarHBondContact O-N 3.12Å; T89-P91 WeakPolarHBondContact O-CD 3.47Å
90D66Low76.7Confident34 Ų3458.5 Ų58.518%0.18230%0.295CS..  trans-69112.3177.1-172.1-13.5000109.1T88 R92 G93 C94 R108T88-D90 WeakPolarHBondContact OG1-CB 3.32Å; T88-D90 PolarHBondContact OG1-N 3.08Å; D90-R92 PolarHBondContact O-N 3.39Å; D90-R92 WeakPolarHBondContact OD1-CB 3.41Å; D90-R92 WeakPolarHBondContact OD1-CG 3.35Å; D90-R92 IonicContact OD1-CZ 3.3Å; D90-R92 PolarHBondContact OD1-N 3.49Å; D90-R92 IonicContact OD1-NE 3.46Å; D90-R92 PolarHBondContact OD1-NE 3.14Å; D90-R92 IonicContact OD1-NH2 2.6Å; D90-R92 IonicContact OD2-CZ 3.66Å; D90-R92 VanDerWaalsContact OD2-CZ 3.25Å; D90-R92 IonicContact OD2-NE 3.09Å; D90-R92 PolarHBondContact OD2-NE 3.39Å; D90-R92 IonicContact OD2-NH2 3.28Å; D90-R92 PolarHBondContact OD2-NH2 3.19Å; D90-G93 PolarHBondContact O-N 3.1Å; D90-C94 PolarHBondContact O-SG 3.09Å; D90-R108 IonicContact OD2-NH1 2.88Å
91P67.1Low77.1Confident101 Ų10151 Ų5166%0.65626%0.262SS*.G310 helixtrans-56-24.7178.8-23.234.5000112.4T89 G93 C94T89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-G93 VanDerWaalsContact C-N 3.28Å; P91-G93 PolarHBondContact O-N 2.79Å; P91-C94 PolarHBondContact O-N 2.82Å
92R69.1Low77.4Confident168 Ų16851.1 Ų51.163%0.63426%0.26SS*.G310 helixtrans-75.3-19.3-178.3-45.9172-71.5-176.8-2.5112.5D90 V104 R108D90-R92 PolarHBondContact O-N 3.39Å; D90-R92 WeakPolarHBondContact OD1-CB 3.41Å; D90-R92 WeakPolarHBondContact OD1-CG 3.35Å; D90-R92 IonicContact OD1-CZ 3.3Å; D90-R92 PolarHBondContact OD1-N 3.49Å; D90-R92 IonicContact OD1-NE 3.46Å; D90-R92 PolarHBondContact OD1-NE 3.14Å; D90-R92 IonicContact OD1-NH2 2.6Å; D90-R92 IonicContact OD2-CZ 3.66Å; D90-R92 VanDerWaalsContact OD2-CZ 3.25Å; D90-R92 IonicContact OD2-NE 3.09Å; D90-R92 PolarHBondContact OD2-NE 3.39Å; D90-R92 IonicContact OD2-NH2 3.28Å; D90-R92 PolarHBondContact OD2-NH2 3.19Å; R92-V104 WeakPolarHBondContact O-CG1 3.33Å; R92-R108 PolarHBondContact O-NE 3.34Å; R92-R108 PolarHBondContact O-NH1 2.91Å; R92-R108 PolarHBondContact O-NH2 2.92Å
93G74.1Confident77.6Confident1 Ų153.6 Ų53.61%0.0127%0.266CS..G310 helixtrans-95.44.9175.100000114.1D90 P91 L101D90-G93 PolarHBondContact O-N 3.1Å; P91-G93 VanDerWaalsContact C-N 3.28Å; P91-G93 PolarHBondContact O-N 2.79Å; G93-L101 VanDerWaalsContact O-CD1 3.26Å; G93-L101 WeakPolarHBondContact O-CD1 3.37Å
94C80.7Confident77.5Confident23 Ų2354.9 Ų54.916%0.15528%0.275CS..  trans-98.5151.3179.1-61.80000110.9Q82 F83 D90 P91Q82-C94 HydrophobicContact CB-CB 4.17Å; F83-C94 CarbonylContact O-C 3.32Å; F83-C94 WeakPolarHBondContact O-CA 3.33Å; D90-C94 PolarHBondContact O-SG 3.09Å; P91-C94 PolarHBondContact O-N 2.82Å
95A84.9Confident77.3Confident10 Ų1053.2 Ų53.28%0.08327%0.267CS..BIsolated β-bridgetrans-144156.4170.800000112.3Q82 F83 D100 L101Q82-A95 CarbonylContact C-O 3.59Å; Q82-A95 WeakPolarHBondContact CA-O 3.42Å; F83-A95 PolarHBondContact N-O 2.95Å; F83-A95 PolarHBondContact O-N 3.49Å; A95-D100 HydrophobicContact CB-CB 3.74Å; A95-L101 HydrophobicContact CB-CB 3.84Å; A95-L101 VanDerWaalsContact CB-N 3.26Å
96L82.1Confident77.5Confident97 Ų9758.7 Ų58.751%0.50829%0.288SS..SBendtrans-75.3-27.4-179.1-66.9173.4000112.8F14 Q82F14-L96 HydrophobicContact CE1-CB 4.48Å; F14-L96 HydrophobicContact CZ-CB 4.21Å; Q82-L96 HydrophobicContact CG-CD2 3.98Å
97S85.1Confident78Confident15 Ų1562.2 Ų62.211%0.10530%0.301CS..SBendtrans-121.9153.8172.980.90000110.6I99 D100 L101S97-I99 PolarHBondContact O-N 2.85Å; S97-D100 PolarHBondContact O-N 3.18Å; S97-D100 WeakPolarHBondContact OG-CB 3.2Å; S97-D100 PolarHBondContact OG-N 3.28Å; S97-D100 PolarHBondContact OG-OD2 2.91Å; S97-L101 PolarHBondContact O-N 3.28Å
98L84.7Confident78.8Confident1 Ų155.6 Ų55.61%0.00528%0.276CS..Hα-helixtrans-63.5-33.6175-72.9164.5000111.8F22 F61 I76 F83 L101 F102F22-L98 HydrophobicContact CB-CB 4.02Å; F22-L98 HydrophobicContact CB-CD1 3.62Å; F22-L98 HydrophobicContact CB-CG 4.44Å; F22-L98 HydrophobicContact CD1-CD1 3.61Å; F22-L98 HydrophobicContact CD2-CB 3.2Å; F22-L98 HydrophobicContact CD2-CD1 3.86Å; F22-L98 HydrophobicContact CD2-CG 4.14Å; F22-L98 HydrophobicContact CE1-CD1 4.26Å; F22-L98 HydrophobicContact CE2-CB 3.74Å; F22-L98 HydrophobicContact CE2-CD1 4.46Å; F22-L98 HydrophobicContact CG-CB 3.65Å; F22-L98 HydrophobicContact CG-CD1 3.38Å; F22-L98 HydrophobicContact CG-CG 4.14Å; F61-L98 HydrophobicContact CD2-CD1 3.47Å; F61-L98 VanDerWaalsContact CD2-CD1 3.47Å; F61-L98 HydrophobicContact CE2-CD1 3.32Å; F61-L98 HydrophobicContact CZ-CD1 4.31Å; I76-L98 HydrophobicContact CD1-CD2 4.15Å; I76-L98 HydrophobicContact CG2-CD2 3.68Å; F83-L98 HydrophobicContact CB-CD2 3.84Å; F83-L98 HydrophobicContact CB-CG 4.45Å; F83-L98 HydrophobicContact CD1-CD1 4.43Å; F83-L98 HydrophobicContact CD1-CD2 3.61Å; F83-L98 HydrophobicContact CD1-CG 3.91Å; F83-L98 HydrophobicContact CD2-CD2 4.38Å; F83-L98 HydrophobicContact CD2-CG 4.11Å; F83-L98 HydrophobicContact CE1-CD1 4.24Å; F83-L98 HydrophobicContact CE1-CD2 4.24Å; F83-L98 HydrophobicContact CE1-CG 4.12Å; F83-L98 HydrophobicContact CE2-CG 4.32Å; F83-L98 HydrophobicContact CG-CD2 3.68Å; F83-L98 HydrophobicContact CG-CG 3.89Å; F83-L98 HydrophobicContact CZ-CD1 4.49Å; F83-L98 HydrophobicContact CZ-CG 4.32Å; L98-L101 HydrophobicContact CD2-CD2 4.21Å; L98-L101 WeakPolarHBondContact O-CB 3.4Å; L98-L101 PolarHBondContact O-N 2.87Å; L98-F102 WeakPolarHBondContact O-CD2 3.34Å; L98-F102 PolarHBondContact O-N 3.46Å
99I85.9Confident79.7Confident70 Ų7054.3 Ų54.336%0.35927%0.268SS..Hα-helixtrans-62.8-46.7176.5-62.5174.2000109.9S97 L101 F102 R103S97-I99 PolarHBondContact O-N 2.85Å; I99-L101 VanDerWaalsContact C-N 3.29Å; I99-L101 PolarHBondContact O-N 2.98Å; I99-F102 PolarHBondContact O-N 2.88Å; I99-R103 PolarHBondContact O-N 2.81Å
100D87Confident80.9Confident47 Ų4753.5 Ų53.525%0.25126%0.255SS..Hα-helixtrans-65.1-36.7177.4-59.9-34.5000111.2A95 S97 F102 R103 V104A95-D100 HydrophobicContact CB-CB 3.74Å; S97-D100 PolarHBondContact O-N 3.18Å; S97-D100 WeakPolarHBondContact OG-CB 3.2Å; S97-D100 PolarHBondContact OG-N 3.28Å; S97-D100 PolarHBondContact OG-OD2 2.91Å; D100-F102 PolarHBondContact O-N 2.89Å; D100-R103 PolarHBondContact O-N 3.09Å; D100-R103 IonicContact OD1-CZ 2.74Å; D100-R103 VanDerWaalsContact OD1-CZ 3.28Å; D100-R103 IonicContact OD1-NH1 2.93Å; D100-R103 IonicContact OD1-NH2 3.87Å; D100-R103 PolarHBondContact OD1-NH2 2.99Å; D100-V104 WeakPolarHBondContact O-CB 3.34Å; D100-V104 VanDerWaalsContact O-CG2 3.32Å; D100-V104 WeakPolarHBondContact O-CG2 2.97Å; D100-V104 PolarHBondContact O-N 3.17Å
101L86.8Confident81.4Confident1 Ų159.9 Ų59.91%0.00528%0.276CS..Hα-helixtrans-58.9-46.8175.3176.963.3000111I76 F83 F85 G93 A95 S97 L98 I99 V104 A105I76-L101 HydrophobicContact CG2-CD2 3.83Å; F83-L101 HydrophobicContact CB-CD2 3.82Å; F85-L101 HydrophobicContact CD1-CD2 4.4Å; F85-L101 HydrophobicContact CD2-CD1 3.67Å; F85-L101 HydrophobicContact CD2-CD2 3.81Å; F85-L101 HydrophobicContact CD2-CG 3.71Å; F85-L101 HydrophobicContact CE1-CD2 4.19Å; F85-L101 HydrophobicContact CE2-CD1 3.8Å; F85-L101 HydrophobicContact CE2-CD2 3.66Å; F85-L101 HydrophobicContact CE2-CG 3.37Å; F85-L101 HydrophobicContact CG-CD2 4.23Å; F85-L101 HydrophobicContact CZ-CD2 3.84Å; F85-L101 HydrophobicContact CZ-CG 3.93Å; G93-L101 VanDerWaalsContact O-CD1 3.26Å; G93-L101 WeakPolarHBondContact O-CD1 3.37Å; A95-L101 HydrophobicContact CB-CB 3.84Å; A95-L101 VanDerWaalsContact CB-N 3.26Å; S97-L101 PolarHBondContact O-N 3.28Å; L98-L101 HydrophobicContact CD2-CD2 4.21Å; L98-L101 WeakPolarHBondContact O-CB 3.4Å; L98-L101 PolarHBondContact O-N 2.87Å; I99-L101 VanDerWaalsContact C-N 3.29Å; I99-L101 PolarHBondContact O-N 2.98Å; L101-V104 PolarHBondContact O-N 2.94Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 2.71Å
102F86.4Confident81.7Confident10 Ų1065.2 Ų65.24%0.04428%0.283CS..Hα-helixtrans-65-37.6176.5-85.1-78.9000112.6F22 F49 V51 L63 I76 F85 L98 I99 D100 R106 F132F22-F102 HydrophobicContact CE2-CD2 4.04Å; F22-F102 AromaticContact CE2-CE2 3.84Å; F22-F102 HydrophobicContact CE2-CE2 3.84Å; F22-F102 HydrophobicContact CZ-CE2 4.04Å; F49-F102 HydrophobicContact CD2-CD1 4.42Å; F49-F102 AromaticContact CD2-CE1 3.86Å; F49-F102 HydrophobicContact CD2-CE1 3.86Å; F49-F102 AromaticContact CE2-CD1 3.8Å; F49-F102 HydrophobicContact CE2-CD1 3.8Å; F49-F102 AromaticContact CE2-CE1 3.64Å; F49-F102 HydrophobicContact CE2-CE1 3.64Å; F49-F102 HydrophobicContact CZ-CD1 4.28Å; V51-F102 HydrophobicContact CG2-CE1 4.16Å; V51-F102 HydrophobicContact CG2-CE2 3.73Å; V51-F102 HydrophobicContact CG2-CZ 3.26Å; L63-F102 HydrophobicContact CD1-CE1 3.94Å; L63-F102 HydrophobicContact CD1-CZ 4.08Å; I76-F102 HydrophobicContact CD1-CE2 4.29Å; I76-F102 HydrophobicContact CD1-CZ 4.37Å; F85-F102 HydrophobicContact CE1-CE1 4.28Å; F85-F102 HydrophobicContact CE1-CE2 4.42Å; F85-F102 AromaticContact CE1-CZ 3.9Å; F85-F102 HydrophobicContact CE1-CZ 3.9Å; F85-F102 HydrophobicContact CZ-CD1 4.05Å; F85-F102 HydrophobicContact CZ-CD2 4.33Å; F85-F102 AromaticContact CZ-CE1 3.68Å; F85-F102 HydrophobicContact CZ-CE1 3.68Å; F85-F102 AromaticContact CZ-CE2 3.95Å; F85-F102 HydrophobicContact CZ-CE2 3.95Å; F85-F102 HydrophobicContact CZ-CG 4.34Å; F85-F102 AromaticContact CZ-CZ 3.57Å; F85-F102 HydrophobicContact CZ-CZ 3.57Å; L98-F102 WeakPolarHBondContact O-CD2 3.34Å; L98-F102 PolarHBondContact O-N 3.46Å; I99-F102 PolarHBondContact O-N 2.88Å; D100-F102 PolarHBondContact O-N 2.89Å; F102-R106 VanDerWaalsContact O-CB 3.29Å; F102-R106 WeakPolarHBondContact O-CB 3.33Å; F102-R106 PolarHBondContact O-N 3.3Å; F102-F132 HydrophobicContact CD1-CD1 4.47Å; F102-F132 HydrophobicContact CE1-CD1 4.32Å; F102-F132 HydrophobicContact CE1-CE1 4.38Å
103R86.8Confident81.5Confident132 Ų13263 Ų6350%0.49828%0.28SS..Hα-helixtrans-62.1-52.4174.5179.517858.9-150.7-6.7111.3I99 D100 A105 R106 E107I99-R103 PolarHBondContact O-N 2.81Å; D100-R103 PolarHBondContact O-N 3.09Å; D100-R103 IonicContact OD1-CZ 2.74Å; D100-R103 VanDerWaalsContact OD1-CZ 3.28Å; D100-R103 IonicContact OD1-NH1 2.93Å; D100-R103 IonicContact OD1-NH2 3.87Å; D100-R103 PolarHBondContact OD1-NH2 2.99Å; R103-A105 VanDerWaalsContact C-N 3.33Å; R103-A105 PolarHBondContact O-N 3.4Å; R103-R106 PolarHBondContact O-N 3.16Å; R103-E107 WeakPolarHBondContact CG-OE1 3.22Å; R103-E107 WeakPolarHBondContact O-CG 3.39Å; R103-E107 PolarHBondContact O-N 3.41Å
104V84Confident81Confident31 Ų3163.8 Ų63.819%0.18828%0.283CS..Hα-helixtrans-60.1-44.4178.2171.90000110.8R92 D100 L101 R106 E107 R108R92-V104 WeakPolarHBondContact O-CG1 3.33Å; D100-V104 WeakPolarHBondContact O-CB 3.34Å; D100-V104 VanDerWaalsContact O-CG2 3.32Å; D100-V104 WeakPolarHBondContact O-CG2 2.97Å; D100-V104 PolarHBondContact O-N 3.17Å; L101-V104 PolarHBondContact O-N 2.94Å; V104-R106 PolarHBondContact O-N 3.3Å; V104-E107 PolarHBondContact O-N 3.48Å; V104-R108 HydrophobicContact CG1-CG 4.41Å; V104-R108 VanDerWaalsContact CG1-NE 3.35Å; V104-R108 WeakPolarHBondContact O-CB 3.26Å; V104-R108 WeakPolarHBondContact O-CG 3.41Å; V104-R108 PolarHBondContact O-N 3.42Å
105A83.1Confident80.1Confident2 Ų267.2 Ų67.22%0.01730%0.297CS..Hα-helixtrans-60.2-44.6177.100000112F85 L101 R103 R108 T109 F116 F132F85-A105 HydrophobicContact CD2-CB 4.21Å; F85-A105 HydrophobicContact CE2-CB 3.65Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 2.71Å; R103-A105 VanDerWaalsContact C-N 3.33Å; R103-A105 PolarHBondContact O-N 3.4Å; A105-R108 PolarHBondContact O-N 3.03Å; A105-T109 PolarHBondContact O-N 3.49Å; A105-T109 PolarHBondContact O-OG1 3.01Å; A105-F116 HydrophobicContact CB-CZ 3.96Å; A105-F132 HydrophobicContact CB-CD2 4.01Å; A105-F132 HydrophobicContact CB-CE2 3.77Å
106R83.9Confident79Confident121 Ų12166.9 Ų66.946%0.45729%0.294SS..Hα-helixtrans-62.3-49.8178.1-179.4175.8174166.61.7112.1F102 R103 V104 R108 T109 E110 F132F102-R106 VanDerWaalsContact O-CB 3.29Å; F102-R106 WeakPolarHBondContact O-CB 3.33Å; F102-R106 PolarHBondContact O-N 3.3Å; R103-R106 PolarHBondContact O-N 3.16Å; V104-R106 PolarHBondContact O-N 3.3Å; R106-R108 VanDerWaalsContact C-N 3.25Å; R106-R108 PolarHBondContact O-N 2.92Å; R106-T109 PolarHBondContact O-N 2.83Å; R106-E110 WeakPolarHBondContact CG-OE1 3.34Å; R106-E110 IonicContact NE-OE1 3.42Å; R106-E110 PolarHBondContact NE-OE1 2.96Å; R106-E110 VanDerWaalsContact NE-OE1 3.13Å; R106-E110 IonicContact NH2-OE1 2.71Å; R106-E110 WeakPolarHBondContact O-CG 3.36Å; R106-E110 PolarHBondContact O-N 3.04Å; R106-F132 HydrophobicContact CB-CB 4.44Å
107E83.8Confident77.7Confident88 Ų8866 Ų6641%0.41129%0.289SS..Hα-helixtrans-57.5-41178.6-72.8171.2-168.500111.6R103 V104 E110 R111R103-E107 WeakPolarHBondContact CG-OE1 3.22Å; R103-E107 WeakPolarHBondContact O-CG 3.39Å; R103-E107 PolarHBondContact O-N 3.41Å; V104-E107 PolarHBondContact O-N 3.48Å; E107-E110 PolarHBondContact O-N 2.75Å; E107-R111 WeakPolarHBondContact O-CG 3.21Å; E107-R111 PolarHBondContact O-N 2.81Å
108R79.9Confident76.2Confident41 Ų4165.4 Ų65.416%0.15529%0.285CS..Hα-helixtrans-75.6-37.6-179.3-65.8171.1172.9-98-41113.5D90 R92 V104 A105 R106 E110 R111 R112 E113 F114D90-R108 IonicContact OD2-NH1 2.88Å; R92-R108 PolarHBondContact O-NE 3.34Å; R92-R108 PolarHBondContact O-NH1 2.91Å; R92-R108 PolarHBondContact O-NH2 2.92Å; V104-R108 HydrophobicContact CG1-CG 4.41Å; V104-R108 VanDerWaalsContact CG1-NE 3.35Å; V104-R108 WeakPolarHBondContact O-CB 3.26Å; V104-R108 WeakPolarHBondContact O-CG 3.41Å; V104-R108 PolarHBondContact O-N 3.42Å; A105-R108 PolarHBondContact O-N 3.03Å; R106-R108 VanDerWaalsContact C-N 3.25Å; R106-R108 PolarHBondContact O-N 2.92Å; R108-E110 VanDerWaalsContact C-N 3.26Å; R108-E110 PolarHBondContact O-N 2.93Å; R108-R111 CarbonylContact O-C 3.47Å; R108-R111 PolarHBondContact O-N 2.77Å; R108-R112 PolarHBondContact O-N 3.39Å; R108-E113 PolarHBondContact O-N 3.03Å; R108-F114 HydrophobicContact CB-CB 3.58Å; R108-F114 HydrophobicContact CB-CG 4.25Å
109T77.7Confident74.7Confident9 Ų969.8 Ų69.86%0.05530%0.302CS..Hα-helixtrans-65.3-36.6173.9-44.70000110.5A105 R106 R111 R112 V130 T131A105-T109 PolarHBondContact O-N 3.49Å; A105-T109 PolarHBondContact O-OG1 3.01Å; R106-T109 PolarHBondContact O-N 2.83Å; T109-R111 PolarHBondContact O-N 2.88Å; T109-R112 WeakPolarHBondContact O-CA 2.84Å; T109-R112 PolarHBondContact O-N 3.41Å; T109-V130 WeakPolarHBondContact CB-O 2.93Å; T109-V130 VanDerWaalsContact CG2-C 3.49Å; T109-V130 WeakPolarHBondContact CG2-O 2.9Å; T109-V130 PolarHBondContact OG1-O 2.87Å; T109-T131 HydrophobicContact CG2-CG2 3.88Å
110E79.3Confident73.1Confident122 Ų12267.5 Ų67.557%0.5729%0.291SS*.Hα-helixtrans-59.5-35.7174.2-74172.5-173.300111.7R106 E107 R108 R112R106-E110 WeakPolarHBondContact CG-OE1 3.34Å; R106-E110 IonicContact NE-OE1 3.42Å; R106-E110 PolarHBondContact NE-OE1 2.96Å; R106-E110 VanDerWaalsContact NE-OE1 3.13Å; R106-E110 IonicContact NH2-OE1 2.71Å; R106-E110 WeakPolarHBondContact O-CG 3.36Å; R106-E110 PolarHBondContact O-N 3.04Å; E107-E110 PolarHBondContact O-N 2.75Å; R108-E110 VanDerWaalsContact C-N 3.26Å; R108-E110 PolarHBondContact O-N 2.93Å; E110-R112 VanDerWaalsContact C-N 3.29Å; E110-R112 PolarHBondContact O-N 2.81Å
111R78.1Confident71.1Confident167 Ų16772 Ų7263%0.6332%0.321SS*.THydrogen-bonded Turntrans-80-2.9172.3-64.7177.7-173.5177.43.4114.7E107 R108 T109 E113E107-R111 WeakPolarHBondContact O-CG 3.21Å; E107-R111 PolarHBondContact O-N 2.81Å; R108-R111 CarbonylContact O-C 3.47Å; R108-R111 PolarHBondContact O-N 2.77Å; T109-R111 PolarHBondContact O-N 2.88Å; R111-E113 HydrophobicContact CB-CB 4.31Å; R111-E113 HydrophobicContact CB-CG 3.79Å; R111-E113 PolarHBondContact O-N 3.42Å
112R72Confident69.3Low213 Ų21376.6 Ų76.680%0.80436%0.359SS*.THydrogen-bonded Turntrans56.226.6-171.7-55.4-176.7176.7-166.3-1.8113.8R108 T109 E110R108-R112 PolarHBondContact O-N 3.39Å; T109-R112 WeakPolarHBondContact O-CA 2.84Å; T109-R112 PolarHBondContact O-N 3.41Å; E110-R112 VanDerWaalsContact C-N 3.29Å; E110-R112 PolarHBondContact O-N 2.81Å
113E65.5Low67.6Low123 Ų12379.1 Ų79.158%0.57539%0.388SS*.  trans-94.31-176.8-72.1174.8176.400112.9R108 R111R108-E113 PolarHBondContact O-N 3.03Å; R111-E113 HydrophobicContact CB-CB 4.31Å; R111-E113 HydrophobicContact CB-CG 3.79Å; R111-E113 PolarHBondContact O-N 3.42Å
114F64.1Low65.9Low17 Ų1782 Ų828%0.07540%0.399CS..  trans-144.3115.4-172-151.3-100.1000111.4T88 R108 F116T88-F114 HydrophobicContact CG2-CZ 4.13Å; R108-F114 HydrophobicContact CB-CB 3.58Å; R108-F114 HydrophobicContact CB-CG 4.25Å; F114-F116 HydrophobicContact CD1-CD2 4.28Å; F114-F116 HydrophobicContact CD1-CE1 4.01Å; F114-F116 AromaticContact CD1-CE2 3.61Å; F114-F116 HydrophobicContact CD1-CE2 3.61Å; F114-F116 AromaticContact CD1-CZ 3.41Å; F114-F116 HydrophobicContact CD1-CZ 3.41Å; F114-F116 VanDerWaalsContact CD1-CZ 3.41Å; F114-F116 HydrophobicContact CE1-CD1 4.33Å; F114-F116 AromaticContact CE1-CE1 3.66Å; F114-F116 HydrophobicContact CE1-CE1 3.66Å; F114-F116 HydrophobicContact CE1-CE2 4.13Å; F114-F116 AromaticContact CE1-CZ 3.51Å; F114-F116 HydrophobicContact CE1-CZ 3.51Å
115E60.6Low64.5Low95 Ų9586.7 Ų86.744%0.44442%0.417SS..  trans-104.7132.6171.9-71.6176.5-173.300108.6L117 A127 H129E115-L117 PolarHBondContact O-N 3.3Å; E115-A127 HydrophobicContact CB-CB 4.34Å; E115-A127 VanDerWaalsContact OE2-CB 3.25Å; E115-A127 WeakPolarHBondContact OE2-CB 2.68Å; E115-H129 IonicContact OE1-CE1 3.58Å; E115-H129 PolarHBondContact OE1-CE1 3.27Å; E115-H129 IonicContact OE1-ND1 3.64Å; E115-H129 IonicContact OE1-NE2 3.61Å
116F62.7Low63.1Low3 Ų390.9 Ų90.91%0.01344%0.439CS..EExtended strand (participates in β ladder)trans-81.4114.6172.8-67.8-93.6000107.1F85 A105 F114 L118 V130 F132F85-F116 HydrophobicContact CB-CD1 3.57Å; F85-F116 HydrophobicContact CB-CE1 3.35Å; F85-F116 HydrophobicContact CD1-CE1 4.18Å; F85-F116 HydrophobicContact CD2-CD1 4.39Å; F85-F116 AromaticContact CD2-CE1 3.38Å; F85-F116 HydrophobicContact CD2-CE1 3.38Å; F85-F116 HydrophobicContact CD2-CZ 4.05Å; F85-F116 HydrophobicContact CE2-CE1 4.04Å; F85-F116 HydrophobicContact CE2-CZ 4.43Å; F85-F116 HydrophobicContact CG-CD1 4Å; F85-F116 AromaticContact CG-CE1 3.41Å; F85-F116 HydrophobicContact CG-CE1 3.41Å; F85-F116 VanDerWaalsContact CG-CE1 3.41Å; F85-F116 HydrophobicContact CG-CZ 4.47Å; A105-F116 HydrophobicContact CB-CZ 3.96Å; F114-F116 HydrophobicContact CD1-CD2 4.28Å; F114-F116 HydrophobicContact CD1-CE1 4.01Å; F114-F116 AromaticContact CD1-CE2 3.61Å; F114-F116 HydrophobicContact CD1-CE2 3.61Å; F114-F116 AromaticContact CD1-CZ 3.41Å; F114-F116 HydrophobicContact CD1-CZ 3.41Å; F114-F116 VanDerWaalsContact CD1-CZ 3.41Å; F114-F116 HydrophobicContact CE1-CD1 4.33Å; F114-F116 AromaticContact CE1-CE1 3.66Å; F114-F116 HydrophobicContact CE1-CE1 3.66Å; F114-F116 HydrophobicContact CE1-CE2 4.13Å; F114-F116 AromaticContact CE1-CZ 3.51Å; F114-F116 HydrophobicContact CE1-CZ 3.51Å; F116-L118 VanDerWaalsContact C-N 3.27Å; F116-L118 HydrophobicContact CB-CD1 4.12Å; F116-L118 HydrophobicContact CB-CD2 3.91Å; F116-L118 HydrophobicContact CB-CG 3.77Å; F116-L118 WeakPolarHBondContact O-CG 3.43Å; F116-L118 PolarHBondContact O-N 2.83Å; F116-V130 HydrophobicContact CB-CB 4.49Å; F116-V130 HydrophobicContact CB-CG2 3.77Å; F116-V130 HydrophobicContact CD2-CB 3.49Å; F116-V130 VanDerWaalsContact CD2-CB 3.49Å; F116-V130 HydrophobicContact CD2-CG1 4.33Å; F116-V130 HydrophobicContact CD2-CG2 3.71Å; F116-V130 HydrophobicContact CE2-CB 4.13Å; F116-V130 HydrophobicContact CG-CB 4.18Å; F116-V130 HydrophobicContact CG-CG2 3.99Å; F116-F132 HydrophobicContact CD1-CZ 4.32Å; F116-F132 HydrophobicContact CD2-CE2 4.16Å; F116-F132 HydrophobicContact CD2-CZ 4.11Å; F116-F132 AromaticContact CE1-CE2 4Å; F116-F132 HydrophobicContact CE1-CE2 4Å; F116-F132 AromaticContact CE1-CZ 3.77Å; F116-F132 HydrophobicContact CE1-CZ 3.77Å; F116-F132 HydrophobicContact CE2-CD2 4.4Å; F116-F132 AromaticContact CE2-CE2 3.22Å; F116-F132 HydrophobicContact CE2-CE2 3.22Å; F116-F132 AromaticContact CE2-CZ 3.54Å; F116-F132 HydrophobicContact CE2-CZ 3.54Å; F116-F132 HydrophobicContact CG-CZ 4.49Å; F116-F132 HydrophobicContact CZ-CD2 4.41Å; F116-F132 AromaticContact CZ-CE2 3.15Å; F116-F132 HydrophobicContact CZ-CE2 3.15Å; F116-F132 AromaticContact CZ-CZ 3.39Å; F116-F132 HydrophobicContact CZ-CZ 3.39Å
117L53.5Low62.1Low78 Ų7887.3 Ų87.341%0.40844%0.435SS..EExtended strand (participates in β ladder)trans-72.691.9165-67.2174.6000107.6E115 A127E115-L117 PolarHBondContact O-N 3.3Å; L117-A127 HydrophobicContact CD2-CB 4.12Å
118L54.7Low61.1Low3 Ų384.2 Ų84.22%0.01642%0.421CS..  trans-92.2116.8-179.9-60.1152.3000106Y65 Y72 F116 P120 V130Y65-L118 HydrophobicContact CD1-CD2 4.32Å; Y65-L118 HydrophobicContact CE1-CD1 3.28Å; Y65-L118 HydrophobicContact CE1-CD2 3.51Å; Y65-L118 HydrophobicContact CE1-CG 3.95Å; Y65-L118 WeakPolarHBondContact OH-CD1 3.35Å; Y72-L118 HydrophobicContact CD1-CD1 4.09Å; Y72-L118 HydrophobicContact CG-CD1 4.19Å; F116-L118 VanDerWaalsContact C-N 3.27Å; F116-L118 HydrophobicContact CB-CD1 4.12Å; F116-L118 HydrophobicContact CB-CD2 3.91Å; F116-L118 HydrophobicContact CB-CG 3.77Å; F116-L118 WeakPolarHBondContact O-CG 3.43Å; F116-L118 PolarHBondContact O-N 2.83Å; L118-P120 WeakPolarHBondContact O-CD 3.33Å; L118-P120 WeakPolarHBondContact O-CG 3.27Å; L118-P120 VanDerWaalsContact O-N 3.11Å; L118-V130 HydrophobicContact CD1-CG2 3.88Å
119Y52.8Low60.4Low92 Ų9287.3 Ų87.336%0.36144%0.437SS..  trans-62111.2175.7-71.9-84.7000109.3R87 F125R87-Y119 WeakPolarHBondContact CB-OH 3.45Å; R87-Y119 WeakPolarHBondContact CD-OH 2.94Å; R87-Y119 HydrophobicContact CG-CE2 4.01Å; R87-Y119 WeakPolarHBondContact CG-OH 3.33Å; R87-Y119 PolarHBondContact NE-OH 2.86Å; Y119-F125 HydrophobicContact CD1-CE1 4.1Å; Y119-F125 AromaticContact CE1-CE1 3.54Å; Y119-F125 HydrophobicContact CE1-CE1 3.54Å; Y119-F125 HydrophobicContact CE1-CZ 4.09Å
120P51.6Low60.1Low22 Ų2286.9 Ų86.914%0.14343%0.434CS..  trans-75.1137.6167-17.539.5000107.1L118 A122 G123 R124L118-P120 WeakPolarHBondContact O-CD 3.33Å; L118-P120 WeakPolarHBondContact O-CG 3.27Å; L118-P120 VanDerWaalsContact O-N 3.11Å; P120-A122 PolarHBondContact O-N 2.92Å; P120-A122 VanDerWaalsContact O-N 3.07Å; P120-G123 PolarHBondContact O-N 3.39Å; P120-R124 WeakPolarHBondContact CD-O 3.39Å; P120-R124 WeakPolarHBondContact CG-O 3.35Å
121T45.8Very low60Low143 Ų14382.7 Ų82.788%0.87742%0.417SS*.THydrogen-bonded Turntrans-45.7117.7152.9-46.70000106.9
122A48.2Very low60.1Low97 Ų9775 Ų7580%0.80239%0.388SS*.THydrogen-bonded Turntrans99.116.3-179.200000119.8P120 R124P120-A122 PolarHBondContact O-N 2.92Å; P120-A122 VanDerWaalsContact O-N 3.07Å; A122-R124 VanDerWaalsContact C-N 3.31Å; A122-R124 PolarHBondContact O-N 3.44Å; A122-R124 VanDerWaalsContact O-N 3.13Å
123G50.6Low60.7Low63 Ų6370.2 Ų70.265%0.64937%0.373SS*.SBendtrans74.19.7155.200000117.4P120P120-G123 PolarHBondContact O-N 3.39Å
124R52Low61.8Low193 Ų19367.4 Ų67.473%0.72836%0.362SS*.  trans-86.5130.3162.1-68.1-174.2177.2-158.3-1.8108.2P120 A122 D126P120-R124 WeakPolarHBondContact CD-O 3.39Å; P120-R124 WeakPolarHBondContact CG-O 3.35Å; A122-R124 VanDerWaalsContact C-N 3.31Å; A122-R124 PolarHBondContact O-N 3.44Å; A122-R124 VanDerWaalsContact O-N 3.13Å; R124-D126 PolarHBondContact O-N 3.1Å
125F54.7Low63.1Low129 Ų12968.6 Ų68.657%0.56637%0.371SS*.  trans-89.688.8172.3-68.6-87.1000108.3Y119Y119-F125 HydrophobicContact CD1-CE1 4.1Å; Y119-F125 AromaticContact CE1-CE1 3.54Å; Y119-F125 HydrophobicContact CE1-CE1 3.54Å; Y119-F125 HydrophobicContact CE1-CZ 4.09Å
126D54.7Low64.6Low90 Ų9064.8 Ų64.848%0.48135%0.354SS..  trans-89.1106.8166.3-71.1-17.5000107R124 E128R124-D126 PolarHBondContact O-N 3.1Å; D126-E128 PolarHBondContact O-N 3.12Å
127A61.3Low65.9Low46 Ų4667.7 Ų67.738%0.3837%0.37SS..EExtended strand (participates in β ladder)trans-73.1122.5166.400000107.6E115 L117E115-A127 HydrophobicContact CB-CB 4.34Å; E115-A127 VanDerWaalsContact OE2-CB 3.25Å; E115-A127 WeakPolarHBondContact OE2-CB 2.68Å; L117-A127 HydrophobicContact CD2-CB 4.12Å
128E62.7Low67.4Low22 Ų2268.8 Ų68.810%0.10337%0.368CS..EExtended strand (participates in β ladder)trans-114.7139.6171.9-171165.5136.900109.5G67 E68 Y72 D126 V130G67-E128 WeakPolarHBondContact CA-OE1 3.25Å; E68-E128 PolarHBondContact N-OE1 3.07Å; Y72-E128 VanDerWaalsContact CE2-CD 3.5Å; Y72-E128 WeakPolarHBondContact CE2-OE1 3.43Å; Y72-E128 VanDerWaalsContact CE2-OE2 3.24Å; Y72-E128 WeakPolarHBondContact CE2-OE2 3.46Å; Y72-E128 PolarHBondContact OH-OE2 3.3Å; D126-E128 PolarHBondContact O-N 3.12Å; E128-V130 WeakPolarHBondContact O-CG2 3.43Å; E128-V130 PolarHBondContact O-N 3.3Å; E128-V130 VanDerWaalsContact O-N 3.12Å
129H66.2Low68.3Low106 Ų10676.6 Ų76.649%0.49140%0.402SS..  trans-69.5108.1173.9-66.7-67.8000109.9E115E115-H129 IonicContact OE1-CE1 3.58Å; E115-H129 PolarHBondContact OE1-CE1 3.27Å; E115-H129 IonicContact OE1-ND1 3.64Å; E115-H129 IonicContact OE1-NE2 3.61Å
130V70.4Confident69.3Low1 Ų176.8 Ų76.81%0.00641%0.412CS..  trans-98.4113.7-179-176.20000110.9Y65 T109 F116 L118 E128 F132Y65-V130 HydrophobicContact CD1-CG1 3.97Å; Y65-V130 HydrophobicContact CD1-CG2 4.35Å; Y65-V130 HydrophobicContact CD2-CB 4.24Å; Y65-V130 HydrophobicContact CD2-CG1 3.3Å; Y65-V130 HydrophobicContact CD2-CG2 4.13Å; Y65-V130 HydrophobicContact CE1-CG1 4.11Å; Y65-V130 HydrophobicContact CE1-CG2 3.64Å; Y65-V130 HydrophobicContact CE2-CB 3.96Å; Y65-V130 HydrophobicContact CE2-CG1 3.53Å; Y65-V130 HydrophobicContact CE2-CG2 3.44Å; Y65-V130 VanDerWaalsContact CE2-CG2 3.44Å; Y65-V130 HydrophobicContact CG-CG1 3.57Å; Y65-V130 WeakPolarHBondContact OH-CG2 3.29Å; T109-V130 WeakPolarHBondContact CB-O 2.93Å; T109-V130 VanDerWaalsContact CG2-C 3.49Å; T109-V130 WeakPolarHBondContact CG2-O 2.9Å; T109-V130 PolarHBondContact OG1-O 2.87Å; F116-V130 HydrophobicContact CB-CB 4.49Å; F116-V130 HydrophobicContact CB-CG2 3.77Å; F116-V130 HydrophobicContact CD2-CB 3.49Å; F116-V130 VanDerWaalsContact CD2-CB 3.49Å; F116-V130 HydrophobicContact CD2-CG1 4.33Å; F116-V130 HydrophobicContact CD2-CG2 3.71Å; F116-V130 HydrophobicContact CE2-CB 4.13Å; F116-V130 HydrophobicContact CG-CB 4.18Å; F116-V130 HydrophobicContact CG-CG2 3.99Å; L118-V130 HydrophobicContact CD1-CG2 3.88Å; E128-V130 WeakPolarHBondContact O-CG2 3.43Å; E128-V130 PolarHBondContact O-N 3.3Å; E128-V130 VanDerWaalsContact O-N 3.12Å; V130-F132 HydrophobicContact CB-CZ 4.42Å; V130-F132 HydrophobicContact CG1-CD1 4.4Å; V130-F132 HydrophobicContact CG1-CE1 3.79Å; V130-F132 HydrophobicContact CG1-CE2 4.3Å; V130-F132 HydrophobicContact CG1-CZ 3.74Å
131T76.9Confident70.3Confident34 Ų3480 Ų8021%0.20942%0.424CS..  trans-90.9127.8172.957.60000111.1G47 T109 K133G47-T131 CarbonylContact C-O 3.59Å; G47-T131 WeakPolarHBondContact CA-O 3.48Å; G47-T131 WeakPolarHBondContact CA-OG1 2.95Å; G47-T131 VanDerWaalsContact O-O 3.07Å; T109-T131 HydrophobicContact CG2-CG2 3.88Å; T131-K133 PolarHBondContact O-N 2.6Å
132F81.6Confident71.7Confident4 Ų476.1 Ų76.12%0.01840%0.4CS..  trans-95.576.4173.1-58.7-73.5000110.3F49 L63 F102 A105 R106 F116 V130F49-F132 HydrophobicContact CB-CD1 4.28Å; F49-F132 HydrophobicContact CD1-CB 4.07Å; F49-F132 AromaticContact CD1-CD1 3.93Å; F49-F132 HydrophobicContact CD1-CD1 3.93Å; F49-F132 HydrophobicContact CD2-CD1 4.3Å; F49-F132 HydrophobicContact CE1-CB 3.82Å; F49-F132 HydrophobicContact CE1-CD1 4.32Å; F49-F132 AromaticContact CG-CD1 3.91Å; F49-F132 HydrophobicContact CG-CD1 3.91Å; F49-F132 HydrophobicContact CZ-CB 4.39Å; L63-F132 HydrophobicContact CD1-CE1 4.01Å; L63-F132 HydrophobicContact CD2-CE1 3.47Å; L63-F132 VanDerWaalsContact CD2-CE1 3.47Å; L63-F132 HydrophobicContact CD2-CZ 3.75Å; L63-F132 HydrophobicContact CG-CE1 4.32Å; F102-F132 HydrophobicContact CD1-CD1 4.47Å; F102-F132 HydrophobicContact CE1-CD1 4.32Å; F102-F132 HydrophobicContact CE1-CE1 4.38Å; A105-F132 HydrophobicContact CB-CD2 4.01Å; A105-F132 HydrophobicContact CB-CE2 3.77Å; R106-F132 HydrophobicContact CB-CB 4.44Å; F116-F132 HydrophobicContact CD1-CZ 4.32Å; F116-F132 HydrophobicContact CD2-CE2 4.16Å; F116-F132 HydrophobicContact CD2-CZ 4.11Å; F116-F132 AromaticContact CE1-CE2 4Å; F116-F132 HydrophobicContact CE1-CE2 4Å; F116-F132 AromaticContact CE1-CZ 3.77Å; F116-F132 HydrophobicContact CE1-CZ 3.77Å; F116-F132 HydrophobicContact CE2-CD2 4.4Å; F116-F132 AromaticContact CE2-CE2 3.22Å; F116-F132 HydrophobicContact CE2-CE2 3.22Å; F116-F132 AromaticContact CE2-CZ 3.54Å; F116-F132 HydrophobicContact CE2-CZ 3.54Å; F116-F132 HydrophobicContact CG-CZ 4.49Å; F116-F132 HydrophobicContact CZ-CD2 4.41Å; F116-F132 AromaticContact CZ-CE2 3.15Å; F116-F132 HydrophobicContact CZ-CE2 3.15Å; F116-F132 AromaticContact CZ-CZ 3.39Å; F116-F132 HydrophobicContact CZ-CZ 3.39Å; V130-F132 HydrophobicContact CB-CZ 4.42Å; V130-F132 HydrophobicContact CG1-CD1 4.4Å; V130-F132 HydrophobicContact CG1-CE1 3.79Å; V130-F132 HydrophobicContact CG1-CE2 4.3Å; V130-F132 HydrophobicContact CG1-CZ 3.74Å
133K84Confident73.1Confident114 Ų11473.2 Ų73.250%0.49637%0.373SS..  trans-98.4-43.4-174.9-70.8176.3178.6178.70112.2G47 T131 P135G47-K133 PolarHBondContact O-N 2.65Å; T131-K133 PolarHBondContact O-N 2.6Å; K133-P135 WeakPolarHBondContact O-CD 3.42Å
134N87.9Confident74.6Confident63 Ų6373.2 Ų73.234%0.33736%0.363SS..EExtended strand (participates in β ladder)trans-124.887.8-164.5-53.1-56.8000111G47 S48 F49 I136G47-N134 PolarHBondContact O-N 3.44Å; S48-N134 CarbonylContact C-O 3.57Å; S48-N134 WeakPolarHBondContact CA-O 3.24Å; F49-N134 PolarHBondContact N-O 3.08Å; N134-I136 PolarHBondContact O-N 3.05Å
135P91.7Very high76.3Confident42 Ų4270.2 Ų70.227%0.27336%0.361SS..EExtended strand (participates in β ladder)trans-63.9125.917423.9-30.6000110.7W27 F49 K133 L137W27-P135 HydrophobicContact CB-CB 3.81Å; W27-P135 HydrophobicContact CD2-CB 3.94Å; W27-P135 HydrophobicContact CE3-CB 3.39Å; W27-P135 HydrophobicContact CE3-CG 3.82Å; W27-P135 HydrophobicContact CG-CB 4.16Å; W27-P135 HydrophobicContact CZ3-CB 4.2Å; W27-P135 HydrophobicContact CZ3-CG 4.19Å; F49-P135 HydrophobicContact CE1-CB 3.91Å; F49-P135 HydrophobicContact CE1-CG 4.42Å; F49-P135 HydrophobicContact CE2-CB 4.19Å; F49-P135 HydrophobicContact CZ-CB 3.65Å; F49-P135 HydrophobicContact CZ-CG 4.36Å; K133-P135 WeakPolarHBondContact O-CD 3.42Å; P135-L137 HydrophobicContact CB-CD2 4.22Å; P135-L137 HydrophobicContact CG-CD2 4.43Å; P135-L137 PolarHBondContact O-N 3.49Å
136I92.2Very high77.9Confident16 Ų1670.2 Ų70.28%0.08236%0.363CS..  trans-83113.5175-54.9-50.4000108.6W27 W29 I40 L41 K44 F49 L50 N134 F141W27-I136 WeakPolarHBondContact CA-O 3.34Å; W29-I136 HydrophobicContact CH2-CG2 4.43Å; W29-I136 HydrophobicContact CZ2-CB 4.49Å; W29-I136 HydrophobicContact CZ2-CG2 3.52Å; W29-I136 PolarHBondContact NE1-O 3.42Å; I40-I136 HydrophobicContact CG2-CG2 3.74Å; L41-I136 HydrophobicContact CD2-CG1 3.69Å; K44-I136 HydrophobicContact CB-CD1 4.43Å; K44-I136 HydrophobicContact CD-CD1 4.23Å; K44-I136 HydrophobicContact CG-CD1 4.03Å; F49-I136 PolarHBondContact O-N 3.32Å; L50-I136 HydrophobicContact CB-CB 4.37Å; N134-I136 PolarHBondContact O-N 3.05Å; I136-F141 HydrophobicContact CG2-CD2 4.18Å; I136-F141 HydrophobicContact CG2-CE2 3.6Å; I136-F141 HydrophobicContact CG2-CZ 4.32Å
137L89.6Confident79.4Confident64 Ų6466.6 Ų66.634%0.33534%0.343SS..  trans-84124.5-173.9-49.6-173.2000111.2P26 W27 P135 K139 V140P26-L137 HydrophobicContact CB-CD2 3.93Å; P26-L137 HydrophobicContact CG-CD2 3.92Å; P26-L137 CarbonylContact O-C 3.56Å; P26-L137 VanDerWaalsContact O-CA 3.29Å; P26-L137 WeakPolarHBondContact O-CA 3.46Å; W27-L137 HydrophobicContact CB-CD2 4.47Å; P135-L137 HydrophobicContact CB-CD2 4.22Å; P135-L137 HydrophobicContact CG-CD2 4.43Å; P135-L137 PolarHBondContact O-N 3.49Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 2.92Å; L137-V140 HydrophobicContact CB-CG2 4.03Å; L137-V140 WeakPolarHBondContact O-CB 3.2Å; L137-V140 PolarHBondContact O-N 3.28Å
138R85Confident80.6Confident101 Ų10168.2 Ų68.238%0.38135%0.345SS..Hα-helixtrans-57.9-39.4179.3-173.1-170.8-177173.10.7112.5P26 Y28 W29 V140 F141 V142P26-R138 PolarHBondContact O-N 2.94Å; Y28-R138 WeakPolarHBondContact O-CD 3.33Å; W29-R138 HydrophobicContact CD2-CB 4.1Å; W29-R138 HydrophobicContact CD2-CG 4.12Å; W29-R138 HydrophobicContact CE3-CG 4.16Å; W29-R138 HydrophobicContact CG-CB 4.32Å; W29-R138 HydrophobicContact CG-CG 4.48Å; W29-R138 HydrophobicContact CZ2-CB 4.5Å; R138-V140 PolarHBondContact O-N 3.28Å; R138-V140 VanDerWaalsContact O-N 3.09Å; R138-F141 PolarHBondContact O-N 3.02Å; R138-V142 HydrophobicContact CG-CB 4.13Å; R138-V142 HydrophobicContact CG-CG2 3.93Å; R138-V142 PolarHBondContact O-N 3.47Å
139K75.2Confident82Confident167 Ų16770.6 Ų70.673%0.72636%0.363SS*.Hα-helixtrans-59.4-23-177.9-68.1-175.8179.8178.80113.6L137L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 2.92Å
140V73.1Confident83.1Confident95 Ų9566.1 Ų66.158%0.57634%0.343SS*.Hα-helixtrans-75.3-30.5178.1178.10000110.9L137 R138L137-V140 HydrophobicContact CB-CG2 4.03Å; L137-V140 WeakPolarHBondContact O-CB 3.2Å; L137-V140 PolarHBondContact O-N 3.28Å; R138-V140 PolarHBondContact O-N 3.28Å; R138-V140 VanDerWaalsContact O-N 3.09Å
141F72Confident83.9Confident90 Ų9071.5 Ų71.540%0.39536%0.363SS..Hα-helixtrans-106.5-30.2-172.8-68.4-92.1000113.7W29 I136 R138 P143W29-F141 HydrophobicContact CH2-CB 3.41Å; W29-F141 VanDerWaalsContact CH2-CB 3.41Å; W29-F141 HydrophobicContact CH2-CD1 4.36Å; W29-F141 AromaticContact CH2-CD2 3.48Å; W29-F141 HydrophobicContact CH2-CD2 3.48Å; W29-F141 VanDerWaalsContact CH2-CD2 3.48Å; W29-F141 HydrophobicContact CH2-CE2 4.33Å; W29-F141 AromaticContact CH2-CG 3.5Å; W29-F141 HydrophobicContact CH2-CG 3.5Å; W29-F141 VanDerWaalsContact CH2-CG 3.5Å; W29-F141 HydrophobicContact CZ2-CB 4.32Å; W29-F141 AromaticContact CZ2-CD2 3.68Å; W29-F141 HydrophobicContact CZ2-CD2 3.68Å; W29-F141 HydrophobicContact CZ2-CE2 4.32Å; W29-F141 HydrophobicContact CZ2-CG 4.19Å; W29-F141 HydrophobicContact CZ3-CB 3.98Å; W29-F141 HydrophobicContact CZ3-CG 4.46Å; I136-F141 HydrophobicContact CG2-CD2 4.18Å; I136-F141 HydrophobicContact CG2-CE2 3.6Å; I136-F141 HydrophobicContact CG2-CZ 4.32Å; R138-F141 PolarHBondContact O-N 3.02Å; F141-P143 WeakPolarHBondContact O-CD 3.45Å
142V75.7Confident84.6Confident62 Ų6274 Ų7438%0.37637%0.372SS..SBendtrans-112.599.3-177.3-171.70000108.7W29 R138W29-V142 HydrophobicContact CZ3-CG2 4.24Å; R138-V142 HydrophobicContact CG-CB 4.13Å; R138-V142 HydrophobicContact CG-CG2 3.93Å; R138-V142 PolarHBondContact O-N 3.47Å
143P77Confident85Confident36 Ų3676.1 Ų76.123%0.23438%0.384CS..  trans-60.3149.9172.926.9-35.4000110.1F141 L147 L148F141-P143 WeakPolarHBondContact O-CD 3.45Å; P143-L147 HydrophobicContact CB-CB 4.28Å; P143-L147 HydrophobicContact CB-CD2 3.73Å; P143-L147 HydrophobicContact CB-CG 4.23Å; P143-L148 HydrophobicContact CB-CD2 4.3Å; P143-L148 HydrophobicContact CB-CG 4.28Å; P143-L148 HydrophobicContact CG-CD1 4.27Å; P143-L148 HydrophobicContact CG-CD2 3.47Å; P143-L148 VanDerWaalsContact CG-CD2 3.47Å; P143-L148 HydrophobicContact CG-CG 3.77Å
144S82.6Confident85.2Confident63 Ų6374.3 Ų74.344%0.44138%0.378SS..  trans-60.7151.5176.367.80000110.7Q146 L147 L148S144-Q146 PolarHBondContact O-N 3.02Å; S144-L147 WeakPolarHBondContact O-CA 3.48Å; S144-L147 WeakPolarHBondContact O-CB 3.32Å; S144-L147 PolarHBondContact O-N 2.97Å; S144-L147 WeakPolarHBondContact OG-CB 3.47Å; S144-L147 PolarHBondContact OG-N 3.44Å; S144-L147 VanDerWaalsContact OG-N 3.14Å; S144-L148 PolarHBondContact O-N 2.76Å
145L87.3Confident85.2Confident129 Ų12980.3 Ų80.368%0.67540%0.396SS*.Hα-helixtrans-53.9-38.7173.5-178.761.8000111L147 L148 C149L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.27Å; L145-L148 PolarHBondContact O-N 3.03Å; L145-C149 WeakPolarHBondContact O-CB 3.43Å; L145-C149 PolarHBondContact O-N 2.64Å; L145-C149 PolarHBondContact O-SG 2.91Å
146Q88.9Confident85.2Confident129 Ų12985.2 Ų85.260%0.60342%0.415SS*.Hα-helixtrans-58-44174.1-67.9177.6-14.900112.3S144 K150 F174S144-Q146 PolarHBondContact O-N 3.02Å; Q146-K150 VanDerWaalsContact O-CB 3.25Å; Q146-K150 WeakPolarHBondContact O-CB 3.16Å; Q146-K150 PolarHBondContact O-N 2.94Å; Q146-F174 HydrophobicContact CB-CE1 3.99Å; Q146-F174 HydrophobicContact CB-CZ 3.88Å; Q146-F174 WeakPolarHBondContact O-CE1 3.48Å
147L86Confident85.1Confident15 Ų1585.7 Ų85.78%0.07942%0.419CS..Hα-helixtrans-68.5-38.1177.5-17561.7000111.9P143 S144 L145 K150 R151 N179P143-L147 HydrophobicContact CB-CB 4.28Å; P143-L147 HydrophobicContact CB-CD2 3.73Å; P143-L147 HydrophobicContact CB-CG 4.23Å; S144-L147 WeakPolarHBondContact O-CA 3.48Å; S144-L147 WeakPolarHBondContact O-CB 3.32Å; S144-L147 PolarHBondContact O-N 2.97Å; S144-L147 WeakPolarHBondContact OG-CB 3.47Å; S144-L147 PolarHBondContact OG-N 3.44Å; S144-L147 VanDerWaalsContact OG-N 3.14Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.27Å; L147-K150 HydrophobicContact CD1-CD 4.43Å; L147-K150 PolarHBondContact O-N 2.82Å; L147-R151 WeakPolarHBondContact O-CB 3.49Å; L147-R151 WeakPolarHBondContact O-CG 3.41Å; L147-R151 PolarHBondContact O-N 2.92Å; L147-N179 HydrophobicContact CD1-CB 3.93Å
148L87.1Confident84.9Confident79 Ų7985.3 Ų85.341%0.41443%0.425SS..Hα-helixtrans-64-49.3174.2-70.4174.8000111.7P143 S144 L145 K150 R151 E152P143-L148 HydrophobicContact CB-CD2 4.3Å; P143-L148 HydrophobicContact CB-CG 4.28Å; P143-L148 HydrophobicContact CG-CD1 4.27Å; P143-L148 HydrophobicContact CG-CD2 3.47Å; P143-L148 VanDerWaalsContact CG-CD2 3.47Å; P143-L148 HydrophobicContact CG-CG 3.77Å; S144-L148 PolarHBondContact O-N 2.76Å; L145-L148 PolarHBondContact O-N 3.03Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.09Å; L148-R151 PolarHBondContact O-N 3.47Å; L148-E152 PolarHBondContact O-N 2.85Å
149C90.9Very high84.8Confident72 Ų7287.9 Ų87.949%0.48644%0.435SS..Hα-helixtrans-58.5-42.5174.8-68.80000111.4L145 E152 L153L145-C149 WeakPolarHBondContact O-CB 3.43Å; L145-C149 PolarHBondContact O-N 2.64Å; L145-C149 PolarHBondContact O-SG 2.91Å; C149-E152 PolarHBondContact O-N 3.05Å; C149-L153 VanDerWaalsContact O-CB 3.25Å; C149-L153 WeakPolarHBondContact O-CB 3.21Å; C149-L153 PolarHBondContact O-N 3.39Å
150K89.5Confident85.2Confident13 Ų1387.8 Ų87.86%0.05744%0.437CS..Hα-helixtrans-60.6-47.2174.6169.8177.7173167.50112Q146 L147 L148 E152 L153 I154 F174 V175 S177Q146-K150 VanDerWaalsContact O-CB 3.25Å; Q146-K150 WeakPolarHBondContact O-CB 3.16Å; Q146-K150 PolarHBondContact O-N 2.94Å; L147-K150 HydrophobicContact CD1-CD 4.43Å; L147-K150 PolarHBondContact O-N 2.82Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.09Å; K150-E152 VanDerWaalsContact C-N 3.3Å; K150-E152 PolarHBondContact O-N 3.13Å; K150-L153 PolarHBondContact O-N 3.37Å; K150-I154 HydrophobicContact CD-CD1 4.43Å; K150-I154 HydrophobicContact CG-CD1 3.65Å; K150-I154 HydrophobicContact CG-CG1 4.48Å; K150-I154 VanDerWaalsContact O-CG1 3.28Å; K150-I154 WeakPolarHBondContact O-CG1 3.15Å; K150-I154 PolarHBondContact O-N 3.46Å; K150-F174 HydrophobicContact CB-CE1 3.83Å; K150-F174 HydrophobicContact CB-CZ 4.47Å; K150-F174 HydrophobicContact CD-CD1 4.24Å; K150-F174 HydrophobicContact CD-CE1 3.8Å; K150-F174 HydrophobicContact CD-CZ 4.01Å; K150-F174 WeakPolarHBondContact CE-O 3.33Å; K150-F174 HydrophobicContact CG-CE1 4.39Å; K150-F174 PolarHBondContact NZ-O 3.33Å; K150-V175 WeakPolarHBondContact CE-O 3.25Å; K150-V175 PolarHBondContact NZ-O 2.95Å; K150-S177 PolarHBondContact NZ-O 3.19Å; K150-S177 PolarHBondContact NZ-OG 2.93Å
151R88.2Confident86Confident113 Ų11387.1 Ų87.143%0.42643%0.43SS..Hα-helixtrans-59-43.3177.5-79.2176172.9-179.6-1.4111.2L147 L148 R155 Q181L147-R151 WeakPolarHBondContact O-CB 3.49Å; L147-R151 WeakPolarHBondContact O-CG 3.41Å; L147-R151 PolarHBondContact O-N 2.92Å; L148-R151 PolarHBondContact O-N 3.47Å; R151-R155 WeakPolarHBondContact O-CG 3.21Å; R151-R155 PolarHBondContact O-N 3.07Å; R151-Q181 PolarHBondContact NH2-O 3.48Å
152E91.5Very high86.7Confident86 Ų8683 Ų8340%0.40241%0.412SS..Hα-helixtrans-70.3-41.8179.1-165.157.6-157.200111.9L148 C149 K150 I154 R155 H156L148-E152 PolarHBondContact O-N 2.85Å; C149-E152 PolarHBondContact O-N 3.05Å; K150-E152 VanDerWaalsContact C-N 3.3Å; K150-E152 PolarHBondContact O-N 3.13Å; E152-I154 PolarHBondContact O-N 3.48Å; E152-R155 WeakPolarHBondContact O-CB 3.42Å; E152-R155 PolarHBondContact O-N 2.99Å; E152-R155 IonicContact OE2-CZ 2.95Å; E152-R155 IonicContact OE2-NH1 2.93Å; E152-R155 PolarHBondContact OE2-NH1 2.92Å; E152-H156 PolarHBondContact O-CD2 3Å; E152-H156 VanDerWaalsContact O-CD2 3.25Å; E152-H156 IonicContact OE1-CD2 2.66Å; E152-H156 PolarHBondContact OE1-CD2 3.22Å; E152-H156 IonicContact OE1-NE2 2.66Å; E152-H156 PolarHBondContact OE1-NE2 3.43Å
153L90.4Very high87.2Confident50 Ų5084.1 Ų84.126%0.26242%0.416SS..Hα-helixtrans-59.1-46.1176.9-175.770.5000112.2C149 K150 R155 H156 V157 L165 V175C149-L153 VanDerWaalsContact O-CB 3.25Å; C149-L153 WeakPolarHBondContact O-CB 3.21Å; C149-L153 PolarHBondContact O-N 3.39Å; K150-L153 PolarHBondContact O-N 3.37Å; L153-R155 PolarHBondContact O-N 2.98Å; L153-H156 PolarHBondContact O-N 2.86Å; L153-H156 VanDerWaalsContact O-N 3.16Å; L153-V157 HydrophobicContact CD1-CG2 3.88Å; L153-V157 HydrophobicContact CG-CG2 4.39Å; L153-V157 PolarHBondContact O-N 3.22Å; L153-L165 HydrophobicContact CD1-CD1 3.9Å; L153-L165 HydrophobicContact CD2-CD1 3.88Å; L153-L165 HydrophobicContact CG-CD1 4.19Å; L153-V175 HydrophobicContact CD2-CB 4.5Å; L153-V175 HydrophobicContact CD2-CG1 3.97Å; L153-V175 HydrophobicContact CD2-CG2 3.72Å
154I87.7Confident87.8Confident75 Ų7589 Ų8939%0.38544%0.439SS..Hα-helixtrans-67.8-21.1-178.5-65.9167.8000111.9K150 E152 V175K150-I154 HydrophobicContact CD-CD1 4.43Å; K150-I154 HydrophobicContact CG-CD1 3.65Å; K150-I154 HydrophobicContact CG-CG1 4.48Å; K150-I154 VanDerWaalsContact O-CG1 3.28Å; K150-I154 WeakPolarHBondContact O-CG1 3.15Å; K150-I154 PolarHBondContact O-N 3.46Å; E152-I154 PolarHBondContact O-N 3.48Å; I154-V175 HydrophobicContact CD1-CG1 4.06Å; I154-V175 HydrophobicContact CG1-CG1 3.84Å
155R88.7Confident88.2Confident189 Ų18987.8 Ų87.871%0.71343%0.428SS*.Hα-helixtrans-71.4-31.4173.2-75.3172.5173.4169.1-7.3113.1R151 E152 L153R151-R155 WeakPolarHBondContact O-CG 3.21Å; R151-R155 PolarHBondContact O-N 3.07Å; E152-R155 WeakPolarHBondContact O-CB 3.42Å; E152-R155 PolarHBondContact O-N 2.99Å; E152-R155 IonicContact OE2-CZ 2.95Å; E152-R155 IonicContact OE2-NH1 2.93Å; E152-R155 PolarHBondContact OE2-NH1 2.92Å; L153-R155 PolarHBondContact O-N 2.98Å
156H91Very high88.4Confident145 Ų14588.1 Ų88.167%0.67144%0.438SS*.Hα-helixtrans-104.7-17.1-174.4-64.7-74.2000113.7E152 L153E152-H156 PolarHBondContact O-CD2 3Å; E152-H156 VanDerWaalsContact O-CD2 3.25Å; E152-H156 IonicContact OE1-CD2 2.66Å; E152-H156 PolarHBondContact OE1-CD2 3.22Å; E152-H156 IonicContact OE1-NE2 2.66Å; E152-H156 PolarHBondContact OE1-NE2 3.43Å; L153-H156 PolarHBondContact O-N 2.86Å; L153-H156 VanDerWaalsContact O-N 3.16Å
157V89.5Confident88.4Confident27 Ų2784.4 Ų84.416%0.16442%0.421CS..SBendtrans-118.6117.3-176.5-172.90000110.2L153 N161 L162 L165L153-V157 HydrophobicContact CD1-CG2 3.88Å; L153-V157 HydrophobicContact CG-CG2 4.39Å; L153-V157 PolarHBondContact O-N 3.22Å; V157-N161 HydrophobicContact CG1-CB 3.87Å; V157-L162 HydrophobicContact CB-CD2 4.17Å; V157-L162 HydrophobicContact CG1-CD2 3.89Å; V157-L162 HydrophobicContact CG1-CG 4.4Å; V157-L165 HydrophobicContact CG1-CD1 4.24Å; V157-L165 HydrophobicContact CG1-CD2 4.46Å; V157-L165 HydrophobicContact CG1-CG 4.43Å; V157-L165 HydrophobicContact CG2-CD1 4.45Å; V157-L165 HydrophobicContact CG2-CD2 4.31Å
158A85.2Confident88.8Confident55 Ų5586.8 Ų86.846%0.45544%0.439SS..  trans-58.2147.2172.400000111.1E160 N161 L162A158-E160 PolarHBondContact O-N 3.17Å; A158-E160 VanDerWaalsContact O-N 3.13Å; A158-N161 PolarHBondContact O-N 3.19Å; A158-L162 PolarHBondContact O-N 2.92Å
159W82.7Confident88.9Confident155 Ų15588 Ų8859%0.58745%0.449SS*.G310 helixtrans-52.7-39.3-176-177.1-98.6000113.5N161 L162 K176W159-N161 VanDerWaalsContact C-N 3.29Å; W159-N161 PolarHBondContact O-N 2.85Å; W159-L162 HydrophobicContact CD2-CD1 4.06Å; W159-L162 HydrophobicContact CE3-CD1 3.56Å; W159-L162 HydrophobicContact CZ3-CD1 4.02Å; W159-L162 WeakPolarHBondContact O-CB 3.29Å; W159-L162 PolarHBondContact O-N 2.92Å; W159-K176 HydrophobicContact CH2-CB 3.68Å; W159-K176 HydrophobicContact CH2-CG 3.74Å; W159-K176 WeakPolarHBondContact CH2-O 3.49Å; W159-K176 HydrophobicContact CZ2-CB 4.24Å; W159-K176 HydrophobicContact CZ2-CD 4.43Å; W159-K176 HydrophobicContact CZ2-CG 4.03Å; W159-K176 HydrophobicContact CZ3-CB 4.32Å; W159-K176 HydrophobicContact CZ3-CG 4.16Å
160E85.1Confident89Confident166 Ų16688.9 Ų88.978%0.77645%0.454SS*.G310 helixtrans-65.1-30.8179-64.1163.6-163.600112.8A158A158-E160 PolarHBondContact O-N 3.17Å; A158-E160 VanDerWaalsContact O-N 3.13Å
161N89.2Confident89Confident80 Ų8092.1 Ų92.143%0.42847%0.472SS..G310 helixtrans-88.8-6.6-177.2-66.9-24.2000112.9V157 A158 W159 D163 L164V157-N161 HydrophobicContact CG1-CB 3.87Å; A158-N161 PolarHBondContact O-N 3.19Å; W159-N161 VanDerWaalsContact C-N 3.29Å; W159-N161 PolarHBondContact O-N 2.85Å; N161-D163 PolarHBondContact O-N 3.47Å; N161-L164 HydrophobicContact CB-CD1 4.36Å; N161-L164 WeakPolarHBondContact O-CB 3.45Å; N161-L164 PolarHBondContact O-N 3.04Å
162L85.7Confident89.1Confident5 Ų589.2 Ų89.23%0.02646%0.462CS..G310 helixtrans-60.3-32.8-179.4-72.2176000112.6V157 A158 W159 L164 L165 V175 K176V157-L162 HydrophobicContact CB-CD2 4.17Å; V157-L162 HydrophobicContact CG1-CD2 3.89Å; V157-L162 HydrophobicContact CG1-CG 4.4Å; A158-L162 PolarHBondContact O-N 2.92Å; W159-L162 HydrophobicContact CD2-CD1 4.06Å; W159-L162 HydrophobicContact CE3-CD1 3.56Å; W159-L162 HydrophobicContact CZ3-CD1 4.02Å; W159-L162 WeakPolarHBondContact O-CB 3.29Å; W159-L162 PolarHBondContact O-N 2.92Å; L162-L164 VanDerWaalsContact C-N 3.27Å; L162-L164 PolarHBondContact O-N 3.46Å; L162-L165 HydrophobicContact CD2-CD1 4.01Å; L162-L165 PolarHBondContact O-N 3.13Å; L162-V175 HydrophobicContact CD1-CG1 4.1Å; L162-V175 HydrophobicContact CD2-CG1 3.77Å; L162-K176 HydrophobicContact CD1-CG 4.11Å
163D87.2Confident89Confident84 Ų8490.6 Ų90.645%0.44947%0.471SS..G310 helixtrans-73.5-20.6178.6-70.2-43.5000113.2N161 L165 K172 K176N161-D163 PolarHBondContact O-N 3.47Å; D163-L165 VanDerWaalsContact C-N 3.3Å; D163-K172 PolarHBondContact O-NZ 2.46Å; D163-K176 IonicContact OD1-NZ 3.97Å; D163-K176 PolarHBondContact OD1-NZ 3.4Å; D163-K176 IonicContact OD2-NZ 3.13Å; D163-K176 PolarHBondContact OD2-NZ 3Å
164L90.2Very high89Confident138 Ų13890.9 Ų90.972%0.72347%0.471SS*.G310 helixtrans-79.2-13.6177.4-58.3174000112.7N161 L162N161-L164 HydrophobicContact CB-CD1 4.36Å; N161-L164 WeakPolarHBondContact O-CB 3.45Å; N161-L164 PolarHBondContact O-N 3.04Å; L162-L164 VanDerWaalsContact C-N 3.27Å; L162-L164 PolarHBondContact O-N 3.46Å
165L89.8Confident89Confident39 Ų3987.7 Ų87.720%0.20446%0.455CS..SBendtrans-67.1139.4-178.7-66.4175.6000111.8L153 V157 L162 D163 M167 K172L153-L165 HydrophobicContact CD1-CD1 3.9Å; L153-L165 HydrophobicContact CD2-CD1 3.88Å; L153-L165 HydrophobicContact CG-CD1 4.19Å; V157-L165 HydrophobicContact CG1-CD1 4.24Å; V157-L165 HydrophobicContact CG1-CD2 4.46Å; V157-L165 HydrophobicContact CG1-CG 4.43Å; V157-L165 HydrophobicContact CG2-CD1 4.45Å; V157-L165 HydrophobicContact CG2-CD2 4.31Å; L162-L165 HydrophobicContact CD2-CD1 4.01Å; L162-L165 PolarHBondContact O-N 3.13Å; D163-L165 VanDerWaalsContact C-N 3.3Å; L165-M167 HydrophobicContact CB-CG 4Å; L165-M167 HydrophobicContact CB-SD 3.7Å; L165-M167 HydrophobicContact CD1-SD 3.75Å; L165-M167 HydrophobicContact CG-SD 4.41Å; L165-M167 PolarHBondContact O-N 3.34Å; L165-K172 VanDerWaalsContact O-CE 3.26Å; L165-K172 WeakPolarHBondContact O-CE 2.8Å; L165-K172 PolarHBondContact O-NZ 2.81Å
166P92.1Very high88.9Confident136 Ų13681.7 Ų81.788%0.88343%0.434SS*.SBendtrans-7865.4179.233.9-36.5000111.1
167M89Confident88.7Confident51 Ų5177 Ų7725%0.25142%0.418SS..  trans-134.7157.1-177.765.5-165.5-65.400112L165 L171 K172 V175L165-M167 HydrophobicContact CB-CG 4Å; L165-M167 HydrophobicContact CB-SD 3.7Å; L165-M167 HydrophobicContact CD1-SD 3.75Å; L165-M167 HydrophobicContact CG-SD 4.41Å; L165-M167 PolarHBondContact O-N 3.34Å; M167-L171 HydrophobicContact CB-CB 4.5Å; M167-L171 HydrophobicContact CB-CD1 4.46Å; M167-L171 HydrophobicContact CE-CB 3.31Å; M167-L171 HydrophobicContact CE-CD1 4.45Å; M167-L171 HydrophobicContact CE-CG 4.47Å; M167-K172 HydrophobicContact CG-CD 4.37Å; M167-K172 HydrophobicContact CG-CG 3.59Å; M167-K172 VanDerWaalsContact O-CE 3.28Å; M167-K172 WeakPolarHBondContact O-CE 3.37Å; M167-K172 HydrophobicContact SD-CG 4.18Å; M167-V175 HydrophobicContact CE-CG2 3.78Å
168S93.5Very high87.5Confident64 Ų6481.8 Ų81.845%0.44845%0.447SS..  trans-68.4154.2-177.866.60000112.5P170 L171 K172S168-P170 VanDerWaalsContact C-CD 3.49Å; S168-L171 WeakPolarHBondContact O-CB 2.84Å; S168-L171 PolarHBondContact O-N 2.93Å; S168-L171 WeakPolarHBondContact OG-CG 3.44Å; S168-K172 PolarHBondContact O-N 3.36Å; S168-K172 VanDerWaalsContact O-N 3.08Å
169V91Very high86.2Confident105 Ų10583.3 Ų83.364%0.63645%0.447SS*.Hα-helixtrans-52.8-44.7-179.4179.30000113.1L171 K172 L173V169-L171 VanDerWaalsContact C-N 3.27Å; V169-L171 PolarHBondContact O-N 3Å; V169-K172 PolarHBondContact O-N 2.87Å; V169-K172 VanDerWaalsContact O-N 3.15Å; V169-L173 HydrophobicContact CG1-CD1 4.29Å; V169-L173 HydrophobicContact CG1-CG 4.48Å; V169-L173 WeakPolarHBondContact O-CG 3.42Å; V169-L173 PolarHBondContact O-N 2.95Å
170P91.6Very high84.3Confident91 Ų9181.4 Ų81.459%0.59145%0.452SS*.Hα-helixtrans-60.3-35.8177.5-24.635.6000113.2S168 F174S168-P170 VanDerWaalsContact C-CD 3.49Å; P170-F174 WeakPolarHBondContact O-CB 3.41Å; P170-F174 PolarHBondContact O-N 3.47Å
171L90.1Very high82.2Confident81 Ų8179.8 Ų79.842%0.42445%0.445SS..Hα-helixtrans-71.5-38.7177.4-64.3175.4000111.2M167 S168 V169 L173 F174 V175M167-L171 HydrophobicContact CB-CB 4.5Å; M167-L171 HydrophobicContact CB-CD1 4.46Å; M167-L171 HydrophobicContact CE-CB 3.31Å; M167-L171 HydrophobicContact CE-CD1 4.45Å; M167-L171 HydrophobicContact CE-CG 4.47Å; S168-L171 WeakPolarHBondContact O-CB 2.84Å; S168-L171 PolarHBondContact O-N 2.93Å; S168-L171 WeakPolarHBondContact OG-CG 3.44Å; V169-L171 VanDerWaalsContact C-N 3.27Å; V169-L171 PolarHBondContact O-N 3Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-L173 PolarHBondContact O-N 3.05Å; L171-F174 PolarHBondContact O-N 3.49Å; L171-V175 WeakPolarHBondContact O-CG2 3.13Å; L171-V175 PolarHBondContact O-N 3.12Å
172K89.7Confident79.3Confident51 Ų5181 Ų8122%0.22246%0.455CS..Hα-helixtrans-59.8-45.4174-65.1-173.3179.5-179.90111.2D163 L165 M167 S168 V169 F174 V175 K176D163-K172 PolarHBondContact O-NZ 2.46Å; L165-K172 VanDerWaalsContact O-CE 3.26Å; L165-K172 WeakPolarHBondContact O-CE 2.8Å; L165-K172 PolarHBondContact O-NZ 2.81Å; M167-K172 HydrophobicContact CG-CD 4.37Å; M167-K172 HydrophobicContact CG-CG 3.59Å; M167-K172 VanDerWaalsContact O-CE 3.28Å; M167-K172 WeakPolarHBondContact O-CE 3.37Å; M167-K172 HydrophobicContact SD-CG 4.18Å; S168-K172 PolarHBondContact O-N 3.36Å; S168-K172 VanDerWaalsContact O-N 3.08Å; V169-K172 PolarHBondContact O-N 2.87Å; V169-K172 VanDerWaalsContact O-N 3.15Å; K172-F174 VanDerWaalsContact C-N 3.35Å; K172-F174 PolarHBondContact O-N 2.99Å; K172-V175 PolarHBondContact O-N 3.33Å; K172-K176 WeakPolarHBondContact O-CB 3.15Å; K172-K176 WeakPolarHBondContact O-CG 3.22Å; K172-K176 PolarHBondContact O-N 3.49Å
173L89.7Confident76.7Confident115 Ų11588.8 Ų88.860%0.60249%0.493SS*.Hα-helixtrans-61.3-42174.8-68.1175.3000111.9V169 L171 K176 S177V169-L173 HydrophobicContact CG1-CD1 4.29Å; V169-L173 HydrophobicContact CG1-CG 4.48Å; V169-L173 WeakPolarHBondContact O-CG 3.42Å; V169-L173 PolarHBondContact O-N 2.95Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-L173 PolarHBondContact O-N 3.05Å; L173-K176 PolarHBondContact O-N 2.93Å; L173-S177 PolarHBondContact O-N 2.74Å
174F89.6Confident74.1Confident57 Ų5797.6 Ų97.625%0.2553%0.528CS..Hα-helixtrans-64.4-41.2176.1172.4-102.7000112.8Q146 K150 P170 L171 K172 K176 S177Q146-F174 HydrophobicContact CB-CE1 3.99Å; Q146-F174 HydrophobicContact CB-CZ 3.88Å; Q146-F174 WeakPolarHBondContact O-CE1 3.48Å; K150-F174 HydrophobicContact CB-CE1 3.83Å; K150-F174 HydrophobicContact CB-CZ 4.47Å; K150-F174 HydrophobicContact CD-CD1 4.24Å; K150-F174 HydrophobicContact CD-CE1 3.8Å; K150-F174 HydrophobicContact CD-CZ 4.01Å; K150-F174 WeakPolarHBondContact CE-O 3.33Å; K150-F174 HydrophobicContact CG-CE1 4.39Å; K150-F174 PolarHBondContact NZ-O 3.33Å; P170-F174 WeakPolarHBondContact O-CB 3.41Å; P170-F174 PolarHBondContact O-N 3.47Å; L171-F174 PolarHBondContact O-N 3.49Å; K172-F174 VanDerWaalsContact C-N 3.35Å; K172-F174 PolarHBondContact O-N 2.99Å; F174-K176 VanDerWaalsContact C-N 3.34Å; F174-S177 PolarHBondContact O-N 3.18Å; F174-S177 PolarHBondContact O-OG 3.05Å
175V88.6Confident73.3Confident8 Ų895.6 Ų95.65%0.04852%0.518CS..Hα-helixtrans-66.4-40177174.80000110.6K150 L153 I154 L162 M167 L171 K172 S177K150-V175 WeakPolarHBondContact CE-O 3.25Å; K150-V175 PolarHBondContact NZ-O 2.95Å; L153-V175 HydrophobicContact CD2-CB 4.5Å; L153-V175 HydrophobicContact CD2-CG1 3.97Å; L153-V175 HydrophobicContact CD2-CG2 3.72Å; I154-V175 HydrophobicContact CD1-CG1 4.06Å; I154-V175 HydrophobicContact CG1-CG1 3.84Å; L162-V175 HydrophobicContact CD1-CG1 4.1Å; L162-V175 HydrophobicContact CD2-CG1 3.77Å; M167-V175 HydrophobicContact CE-CG2 3.78Å; L171-V175 WeakPolarHBondContact O-CG2 3.13Å; L171-V175 PolarHBondContact O-N 3.12Å; K172-V175 PolarHBondContact O-N 3.33Å; V175-S177 VanDerWaalsContact C-N 3.34Å; V175-S177 PolarHBondContact O-N 3.32Å
176K86.8Confident72.4Confident62 Ų6298.5 Ų98.527%0.2754%0.535SS..Hα-helixtrans-75.7-15.6177.9-71.2179.5168.2-177.70114.5W159 L162 D163 K172 L173 F174W159-K176 HydrophobicContact CH2-CB 3.68Å; W159-K176 HydrophobicContact CH2-CG 3.74Å; W159-K176 WeakPolarHBondContact CH2-O 3.49Å; W159-K176 HydrophobicContact CZ2-CB 4.24Å; W159-K176 HydrophobicContact CZ2-CD 4.43Å; W159-K176 HydrophobicContact CZ2-CG 4.03Å; W159-K176 HydrophobicContact CZ3-CB 4.32Å; W159-K176 HydrophobicContact CZ3-CG 4.16Å; L162-K176 HydrophobicContact CD1-CG 4.11Å; D163-K176 IonicContact OD1-NZ 3.97Å; D163-K176 PolarHBondContact OD1-NZ 3.4Å; D163-K176 IonicContact OD2-NZ 3.13Å; D163-K176 PolarHBondContact OD2-NZ 3Å; K172-K176 WeakPolarHBondContact O-CB 3.15Å; K172-K176 WeakPolarHBondContact O-CG 3.22Å; K172-K176 PolarHBondContact O-N 3.49Å; L173-K176 PolarHBondContact O-N 2.93Å; F174-K176 VanDerWaalsContact C-N 3.34Å
177S86Confident71.3Confident48 Ų4896.4 Ų96.434%0.33652%0.516SS..SBendtrans-65.7147.117873.20000111.3K150 L173 F174 V175 N179K150-S177 PolarHBondContact NZ-O 3.19Å; K150-S177 PolarHBondContact NZ-OG 2.93Å; L173-S177 PolarHBondContact O-N 2.74Å; F174-S177 PolarHBondContact O-N 3.18Å; F174-S177 PolarHBondContact O-OG 3.05Å; V175-S177 VanDerWaalsContact C-N 3.34Å; V175-S177 PolarHBondContact O-N 3.32Å; S177-N179 PolarHBondContact O-N 2.91Å
178T65.3Low70.3Confident127 Ų12799.1 Ų99.178%0.77953%0.531SS*.  trans-81.999.9170.928.50000109.5V180T178-V180 PolarHBondContact O-N 3.31Å
179N57.6Low68.8Low86 Ų86101.3 Ų101.346%0.4654%0.536SS..  trans-93.878.2163.9-85.4-20.4000108.4L147 S177 Q181L147-N179 HydrophobicContact CD1-CB 3.93Å; S177-N179 PolarHBondContact O-N 2.91Å; N179-Q181 PolarHBondContact O-N 3.26Å
180V43.3Very low67.4Low115 Ų115101.1 Ų101.170%0.69753%0.53SS*.  trans-71.884.4165.8-1730000107.3T178 V182T178-V180 PolarHBondContact O-N 3.31Å; V180-V182 HydrophobicContact CG1-CG2 4.49Å
181Q40.3Very low65.6Low133 Ų133101.8 Ų101.862%0.62153%0.525SS*.  trans-119.675.9152-77.5-169.8-22.300106.6R151 N179R151-Q181 PolarHBondContact NH2-O 3.48Å; N179-Q181 PolarHBondContact O-N 3.26Å
182V29Very low63.8Low105 Ų105103.4 Ų103.464%0.63653%0.533SS*.  trans-85.798.4153.6-170.90000104.4V180 F184V180-V182 HydrophobicContact CG1-CG2 4.49Å; V182-F184 HydrophobicContact CG1-CD2 4.46Å; V182-F184 HydrophobicContact CG1-CE2 4.03Å; V182-F184 HydrophobicContact CG1-CZ 4.24Å
183M29.9Very low61.6Low169 Ų169107.8 Ų107.883%0.83356%0.559SS**  trans-121122152.7-80.2-169.3-16600105.3
184F33.1Very low59Low268 Ų268107.1 Ų107.1100%1.17556%0.555SS**  trans-61.90172.4-64.6-87000110.8V182V182-F184 HydrophobicContact CG1-CD2 4.46Å; V182-F184 HydrophobicContact CG1-CE2 4.03Å; V182-F184 HydrophobicContact CG1-CZ 4.24Å

Retrieved 184 of 184 residues in 261.4 ms (Link to these results)

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