A0A077ZDM6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDM6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 224 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
1M53.9Low76.9Confident48 Ų4874.3 Ų74.324%0.23638%0.375CS..  0-51.20-67.5-172.572.800111.8S3 R4 Q5 L12 L39 I53M1-S3 PolarHBondContact O-N 3.12Å; M1-S3 VanDerWaalsContact O-N 3.16Å; M1-R4 CarbonylContact O-C 3.6Å; M1-R4 WeakPolarHBondContact O-CA 3.4Å; M1-R4 PolarHBondContact O-N 3.5Å; M1-Q5 PolarHBondContact O-N 3.28Å; M1-L12 HydrophobicContact CE-CD2 3.91Å; M1-L12 HydrophobicContact CG-CD2 4.01Å; M1-L12 HydrophobicContact SD-CD2 3.74Å; M1-L39 HydrophobicContact CE-CD2 4.38Å; M1-L39 HydrophobicContact SD-CD2 4.09Å; M1-I53 HydrophobicContact CE-CD1 3.73Å; M1-I53 HydrophobicContact CE-CG1 3.95Å; M1-I53 HydrophobicContact CE-CG2 4.13Å; M1-I53 HydrophobicContact SD-CD1 4.14Å
2L57.8Low77.9Confident141 Ų14168.3 Ų68.374%0.73835%0.345SS*.THydrogen-bonded Turntrans-54.4-37.3175.6-70.6166.9000113.9R4 L68L2-R4 VanDerWaalsContact C-N 3.34Å; L2-L68 HydrophobicContact CD2-CD2 3.41Å; L2-L68 VanDerWaalsContact CD2-CD2 3.41Å; L2-L68 HydrophobicContact CG-CD2 4.2Å
3S58.3Low78.8Confident113 Ų11365.4 Ų65.479%0.7933%0.333SS*.THydrogen-bonded Turntrans-76.2-17175.7570000114.7M1M1-S3 PolarHBondContact O-N 3.12Å; M1-S3 VanDerWaalsContact O-N 3.16Å
4R61.2Low79.6Confident146 Ų14673.6 Ų73.655%0.55136%0.358SS*.  trans-135.883-177.1-68-173.1-179.9-179.10.1107.7M1 L2 V6 S7M1-R4 CarbonylContact O-C 3.6Å; M1-R4 WeakPolarHBondContact O-CA 3.4Å; M1-R4 PolarHBondContact O-N 3.5Å; L2-R4 VanDerWaalsContact C-N 3.34Å; R4-V6 PolarHBondContact O-N 3.39Å; R4-V6 VanDerWaalsContact O-N 3.09Å; R4-S7 PolarHBondContact O-OG 3.41Å
5Q79Confident80.2Confident48 Ų4872.5 Ų72.522%0.22435%0.353CS..SBendtrans-66-13-169.8-49.2-156.339.600112.9M1 L67 L68M1-Q5 PolarHBondContact O-N 3.28Å; Q5-L67 WeakPolarHBondContact O-CA 3.5Å; Q5-L68 PolarHBondContact O-N 3.3Å
6V86.7Confident80.8Confident36 Ų3669 Ų6922%0.21834%0.337CS..EExtended strand (participates in β ladder)trans-124133.4168.4-166.40000108.6R4 K65 L67 V150 R151R4-V6 PolarHBondContact O-N 3.39Å; R4-V6 VanDerWaalsContact O-N 3.09Å; V6-K65 HydrophobicContact CG1-CB 3.82Å; V6-K65 HydrophobicContact CG1-CG 4.23Å; V6-L67 HydrophobicContact CB-CD2 4.34Å; V6-L67 HydrophobicContact CG1-CD2 4.23Å; V6-L67 HydrophobicContact CG2-CD2 3.73Å; V6-V150 HydrophobicContact CG1-CG1 3.77Å; V6-V150 HydrophobicContact CG2-CG1 4.49Å; V6-R151 HydrophobicContact CG2-CB 3.83Å; V6-R151 HydrophobicContact CG2-CG 4.45Å
7S90.4Very high81.3Confident0 Ų067.2 Ų67.20%033%0.328CS..EExtended strand (participates in β ladder)trans-139.9140.6175.1-64.50000111.4R4 K65 F66R4-S7 PolarHBondContact O-OG 3.41Å; S7-K65 CarbonylContact O-C 3.6Å; S7-F66 PolarHBondContact N-O 3.3Å; S7-F66 PolarHBondContact O-N 3.42Å
8T90.5Very high81.7Confident24 Ų2468.9 Ų68.915%0.14734%0.343CS..EExtended strand (participates in β ladder)trans-75.1167.2166.252.50000110.9E10 Q11 L12 K65T8-E10 VanDerWaalsContact C-N 3.31Å; T8-E10 WeakPolarHBondContact CB-OE2 3.45Å; T8-E10 PolarHBondContact O-N 2.79Å; T8-Q11 PolarHBondContact O-N 2.79Å; T8-Q11 WeakPolarHBondContact OG1-CB 3.35Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.46Å; T8-Q11 PolarHBondContact OG1-N 3.26Å; T8-Q11 PolarHBondContact OG1-OE1 3.19Å; T8-Q11 VanDerWaalsContact OG1-OE1 3.07Å; T8-L12 WeakPolarHBondContact O-CG 3.48Å; T8-L12 PolarHBondContact O-N 2.9Å; T8-K65 HydrophobicContact CG2-CD 3.83Å
9E88Confident82.1Confident66 Ų6667.6 Ų67.631%0.30834%0.344SS..Hα-helixtrans-59.2-43.8174.8-169171.3153.300111.4Q11 L12 V13 S32 F66E9-Q11 VanDerWaalsContact C-N 3.3Å; E9-Q11 PolarHBondContact O-N 3.27Å; E9-L12 WeakPolarHBondContact O-CB 3.1Å; E9-L12 PolarHBondContact O-N 3.38Å; E9-L12 VanDerWaalsContact O-N 3.12Å; E9-V13 WeakPolarHBondContact O-CG2 3.34Å; E9-V13 PolarHBondContact O-N 3.03Å; E9-S32 WeakPolarHBondContact OE1-CB 3.46Å; E9-S32 PolarHBondContact OE1-OG 3.44Å; E9-F66 HydrophobicContact CB-CE2 4.03Å; E9-F66 HydrophobicContact CG-CE2 4.41Å
10E89.6Confident82.4Confident124 Ų12466.8 Ų66.858%0.57934%0.339SS*.Hα-helixtrans-62.6-38.8178.6-61.474.3-162.600111.7T8 R14T8-E10 VanDerWaalsContact C-N 3.31Å; T8-E10 WeakPolarHBondContact CB-OE2 3.45Å; T8-E10 PolarHBondContact O-N 2.79Å; E10-R14 WeakPolarHBondContact O-CG 3.28Å; E10-R14 PolarHBondContact O-N 2.85Å; E10-R14 VanDerWaalsContact O-N 3.08Å
11Q90.5Very high82.7Confident71 Ų7167.6 Ų67.633%0.33234%0.344SS..Hα-helixtrans-67-39.2175.5-75.4168.2-22.700111.6T8 E9 R14 I15T8-Q11 PolarHBondContact O-N 2.79Å; T8-Q11 WeakPolarHBondContact OG1-CB 3.35Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.46Å; T8-Q11 PolarHBondContact OG1-N 3.26Å; T8-Q11 PolarHBondContact OG1-OE1 3.19Å; T8-Q11 VanDerWaalsContact OG1-OE1 3.07Å; E9-Q11 VanDerWaalsContact C-N 3.3Å; E9-Q11 PolarHBondContact O-N 3.27Å; Q11-R14 PolarHBondContact O-N 2.81Å; Q11-I15 VanDerWaalsContact O-CG1 3.26Å; Q11-I15 WeakPolarHBondContact O-CG1 3.13Å; Q11-I15 PolarHBondContact O-N 2.83Å
12L89Confident84.3Confident2 Ų273 Ų731%0.0137%0.367CS..Hα-helixtrans-64.8-44.8175.5-73.1179.6000111.9M1 T8 E9 R14 I15 V16 V35 L39 F66M1-L12 HydrophobicContact CE-CD2 3.91Å; M1-L12 HydrophobicContact CG-CD2 4.01Å; M1-L12 HydrophobicContact SD-CD2 3.74Å; T8-L12 WeakPolarHBondContact O-CG 3.48Å; T8-L12 PolarHBondContact O-N 2.9Å; E9-L12 WeakPolarHBondContact O-CB 3.1Å; E9-L12 PolarHBondContact O-N 3.38Å; E9-L12 VanDerWaalsContact O-N 3.12Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 3.25Å; L12-I15 HydrophobicContact CD2-CD1 4.5Å; L12-I15 PolarHBondContact O-N 3.39Å; L12-I15 VanDerWaalsContact O-N 3.11Å; L12-V16 WeakPolarHBondContact O-CG2 3.17Å; L12-V16 PolarHBondContact O-N 2.73Å; L12-V35 HydrophobicContact CB-CG1 4.06Å; L12-L39 HydrophobicContact CD1-CD1 3.86Å; L12-L39 HydrophobicContact CD1-CD2 4.29Å; L12-F66 HydrophobicContact CD1-CB 3.53Å; L12-F66 HydrophobicContact CD1-CD1 3.7Å; L12-F66 HydrophobicContact CD1-CD2 3.37Å; L12-F66 HydrophobicContact CD1-CE1 4.17Å; L12-F66 HydrophobicContact CD1-CE2 3.88Å; L12-F66 HydrophobicContact CD1-CG 3.25Å; L12-F66 HydrophobicContact CD1-CZ 4.24Å; L12-F66 HydrophobicContact CG-CB 4.43Å; L12-F66 HydrophobicContact CG-CD2 4.42Å; L12-F66 HydrophobicContact CG-CG 4.47Å
13V90Very high85.7Confident31 Ų3175.6 Ų75.619%0.18837%0.368CS..Hα-helixtrans-54.8-45.81741740000110.5E9 I15 V16 Q17 V35E9-V13 WeakPolarHBondContact O-CG2 3.34Å; E9-V13 PolarHBondContact O-N 3.03Å; V13-I15 PolarHBondContact O-N 3.24Å; V13-V16 PolarHBondContact O-N 3.19Å; V13-Q17 VanDerWaalsContact O-CB 3.28Å; V13-Q17 WeakPolarHBondContact O-CB 3.37Å; V13-Q17 PolarHBondContact O-N 3.36Å; V13-V35 HydrophobicContact CB-CG2 4.3Å; V13-V35 HydrophobicContact CG2-CG2 3.8Å
14R90.2Very high87Confident181 Ų18172.1 Ų72.168%0.68334%0.343SS*.Hα-helixtrans-63.2-40.8176.7-71.1176.6-170.4-171.94.6113.1E10 Q11 L12 T18E10-R14 WeakPolarHBondContact O-CG 3.28Å; E10-R14 PolarHBondContact O-N 2.85Å; E10-R14 VanDerWaalsContact O-N 3.08Å; Q11-R14 PolarHBondContact O-N 2.81Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 3.25Å; R14-T18 WeakPolarHBondContact O-CB 3.49Å; R14-T18 PolarHBondContact O-N 2.88Å; R14-T18 PolarHBondContact O-OG1 2.95Å
15I88.3Confident87.7Confident56 Ų5671.1 Ų71.129%0.28736%0.359SS..Hα-helixtrans-63.4-46.9177.7-71.5163.7000110.2Q11 L12 V13 T18 A19Q11-I15 VanDerWaalsContact O-CG1 3.26Å; Q11-I15 WeakPolarHBondContact O-CG1 3.13Å; Q11-I15 PolarHBondContact O-N 2.83Å; L12-I15 HydrophobicContact CD2-CD1 4.5Å; L12-I15 PolarHBondContact O-N 3.39Å; L12-I15 VanDerWaalsContact O-N 3.11Å; V13-I15 PolarHBondContact O-N 3.24Å; I15-T18 PolarHBondContact O-N 3Å; I15-A19 PolarHBondContact O-N 3.48Å
16V88.9Confident87.7Confident17 Ų1776.2 Ų76.210%0.10338%0.381CS..Hα-helixtrans-66.5-42.9179.4176.70000110.9L12 V13 T18 A19 H20 V30 V35 I38L12-V16 WeakPolarHBondContact O-CG2 3.17Å; L12-V16 PolarHBondContact O-N 2.73Å; V13-V16 PolarHBondContact O-N 3.19Å; V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 PolarHBondContact O-N 3.11Å; V16-A19 PolarHBondContact O-N 3.32Å; V16-H20 WeakPolarHBondContact O-CB 3.26Å; V16-H20 PolarHBondContact O-N 2.93Å; V16-V30 HydrophobicContact CB-CG1 4.23Å; V16-V30 HydrophobicContact CG1-CG1 3.66Å; V16-V30 HydrophobicContact CG1-CG2 4.29Å; V16-V35 HydrophobicContact CB-CG2 4.13Å; V16-V35 HydrophobicContact CG1-CG2 4.36Å; V16-V35 HydrophobicContact CG2-CG1 4.2Å; V16-V35 HydrophobicContact CG2-CG2 4.15Å; V16-I38 HydrophobicContact CG1-CD1 3.45Å; V16-I38 VanDerWaalsContact CG1-CD1 3.45Å; V16-I38 HydrophobicContact CG2-CG2 4.48Å
17Q90Very high87Confident39 Ų3981.5 Ų81.518%0.18241%0.412CS..Hα-helixtrans-57-47.7173.9-175.169.261.600111.2V13 A19 H20 D21 Q28 V30V13-Q17 VanDerWaalsContact O-CB 3.28Å; V13-Q17 WeakPolarHBondContact O-CB 3.37Å; V13-Q17 PolarHBondContact O-N 3.36Å; Q17-A19 VanDerWaalsContact C-N 3.32Å; Q17-A19 PolarHBondContact O-N 2.94Å; Q17-H20 PolarHBondContact O-N 3.44Å; Q17-D21 PolarHBondContact NE2-OD1 2.89Å; Q17-D21 PolarHBondContact NE2-OD2 3.34Å; Q17-D21 WeakPolarHBondContact O-CB 3.31Å; Q17-D21 PolarHBondContact O-N 3.08Å; Q17-Q28 PolarHBondContact NE2-O 3.36Å; Q17-V30 HydrophobicContact CB-CB 4.47Å; Q17-V30 HydrophobicContact CB-CG2 4.38Å
18T89.1Confident86.6Confident97 Ų9786.7 Ų86.760%0.59544%0.437SS*.Hα-helixtrans-60.9-41.8179-550000111.5R14 I15 V16 F22R14-T18 WeakPolarHBondContact O-CB 3.49Å; R14-T18 PolarHBondContact O-N 2.88Å; R14-T18 PolarHBondContact O-OG1 2.95Å; I15-T18 PolarHBondContact O-N 3Å; V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 PolarHBondContact O-N 3.11Å; T18-F22 WeakPolarHBondContact O-CB 3.25Å; T18-F22 PolarHBondContact O-N 3.35Å
19A88.4Confident86.4Confident44 Ų4492.9 Ų92.936%0.36446%0.462SS..Hα-helixtrans-66.5-43.9175.900000111.5I15 V16 Q17 F22 Y23I15-A19 PolarHBondContact O-N 3.48Å; V16-A19 PolarHBondContact O-N 3.32Å; Q17-A19 VanDerWaalsContact C-N 3.32Å; Q17-A19 PolarHBondContact O-N 2.94Å; A19-F22 PolarHBondContact O-N 2.92Å; A19-Y23 WeakPolarHBondContact O-CD2 3.38Å; A19-Y23 PolarHBondContact O-N 3.12Å
20H87.7Confident86.3Confident51 Ų5190.3 Ų90.324%0.23645%0.45CS..Hα-helixtrans-59.9-48.1177.7-179.9-85.2000111.3V16 Q17 F22 Y23 S24 K26 V30V16-H20 WeakPolarHBondContact O-CB 3.26Å; V16-H20 PolarHBondContact O-N 2.93Å; Q17-H20 PolarHBondContact O-N 3.44Å; H20-F22 PolarHBondContact O-N 3.36Å; H20-Y23 PolarHBondContact O-N 3.3Å; H20-S24 WeakPolarHBondContact O-CA 3.39Å; H20-S24 WeakPolarHBondContact O-CB 3.41Å; H20-S24 PolarHBondContact O-N 3.27Å; H20-K26 PolarHBondContact CE1-O 3.16Å; H20-K26 VanDerWaalsContact CE1-O 3.28Å; H20-V30 HydrophobicContact CB-CG2 4.01Å
21D88.4Confident86.2Confident85 Ų8589.6 Ų89.646%0.45545%0.447SS..Hα-helixtrans-63.1-29179.2-64.6-17.5000112.6Q17Q17-D21 PolarHBondContact NE2-OD1 2.89Å; Q17-D21 PolarHBondContact NE2-OD2 3.34Å; Q17-D21 WeakPolarHBondContact O-CB 3.31Å; Q17-D21 PolarHBondContact O-N 3.08Å
22F89.3Confident85.9Confident161 Ų16189 Ų8971%0.70645%0.45SS*.Hα-helixtrans-77.1-39.5176.7-174-93.2000112.9T18 A19 H20T18-F22 WeakPolarHBondContact O-CB 3.25Å; T18-F22 PolarHBondContact O-N 3.35Å; A19-F22 PolarHBondContact O-N 2.92Å; H20-F22 PolarHBondContact O-N 3.36Å
23Y87.3Confident85.8Confident196 Ų19692.2 Ų92.277%0.76947%0.473SS*.Hα-helixtrans-96.8-15.9-174.7-69.5-68.2000114.4A19 H20A19-Y23 WeakPolarHBondContact O-CD2 3.38Å; A19-Y23 PolarHBondContact O-N 3.12Å; H20-Y23 PolarHBondContact O-N 3.3Å
24S85.1Confident85.7Confident39 Ų3993.3 Ų93.327%0.27348%0.478SS..  trans-111.5133.7-178.4-171.70000110.9H20 K26H20-S24 WeakPolarHBondContact O-CA 3.39Å; H20-S24 WeakPolarHBondContact O-CB 3.41Å; H20-S24 PolarHBondContact O-N 3.27Å; S24-K26 PolarHBondContact O-N 3.16Å; S24-K26 PolarHBondContact OG-N 2.87Å; S24-K26 PolarHBondContact OG-O 2.99Å
25S75.9Confident85.6Confident126 Ų12684.9 Ų84.988%0.88145%0.446SS*.SBendtrans-76.6-5.9171.656.60000113.3
26K78.3Confident85.5Confident155 Ų15584.6 Ų84.667%0.67445%0.453SS*.SBendtrans-101.9125.4179.3-65.5-177.6-179.5178.90109.9H20 S24 Q28H20-K26 PolarHBondContact CE1-O 3.16Å; H20-K26 VanDerWaalsContact CE1-O 3.28Å; S24-K26 PolarHBondContact O-N 3.16Å; S24-K26 PolarHBondContact OG-N 2.87Å; S24-K26 PolarHBondContact OG-O 2.99Å; K26-Q28 PolarHBondContact O-N 3.23Å; K26-Q28 VanDerWaalsContact O-N 3.12Å
27V72.8Confident85.5Confident146 Ų14690.5 Ų90.589%0.88548%0.479SS*.  trans-72.1105.2167.9-177.50000107.8
28Q80.9Confident85.5Confident110 Ų11092 Ų9251%0.51449%0.487SS..  trans-126.3134.3171.7-176.5172.8-11.100108.6Q17 K26 V30Q17-Q28 PolarHBondContact NE2-O 3.36Å; K26-Q28 PolarHBondContact O-N 3.23Å; K26-Q28 VanDerWaalsContact O-N 3.12Å; Q28-V30 PolarHBondContact O-N 2.99Å
29K87Confident85.5Confident154 Ų15487.8 Ų87.867%0.6746%0.461SS*.PPolyproline II helixtrans-74.1121.6173.3-169.8175.2-177.6179.20108.5H31K29-H31 PolarHBondContact O-CD2 3.35Å; K29-H31 VanDerWaalsContact O-CD2 3.32Å
30V86.4Confident85.6Confident12 Ų1290.2 Ų90.27%0.07347%0.465CS..PPolyproline II helixtrans-76.3125.4173.8176.70000108.4V16 Q17 H20 Q28 D34 V35V16-V30 HydrophobicContact CB-CG1 4.23Å; V16-V30 HydrophobicContact CG1-CG1 3.66Å; V16-V30 HydrophobicContact CG1-CG2 4.29Å; Q17-V30 HydrophobicContact CB-CB 4.47Å; Q17-V30 HydrophobicContact CB-CG2 4.38Å; H20-V30 HydrophobicContact CB-CG2 4.01Å; Q28-V30 PolarHBondContact O-N 2.99Å; V30-D34 HydrophobicContact CG1-CB 4.03Å; V30-V35 HydrophobicContact CG1-CG2 3.71Å
31H86.8Confident85.7Confident108 Ų10890.1 Ų90.150%0.547%0.473SS..PPolyproline II helixtrans-96161.1174.7-65.1-86.3000111K29 S33 D34 V35K29-H31 PolarHBondContact O-CD2 3.35Å; K29-H31 VanDerWaalsContact O-CD2 3.32Å; H31-S33 PolarHBondContact O-N 3.45Å; H31-S33 VanDerWaalsContact O-N 3.16Å; H31-D34 IonicContact CD2-OD2 3.91Å; H31-D34 PolarHBondContact N-OD2 2.95Å; H31-D34 WeakPolarHBondContact O-CB 3.45Å; H31-D34 PolarHBondContact O-N 3.33Å; H31-V35 PolarHBondContact O-N 2.9Å
32S83.8Confident85.8Confident59 Ų5989 Ų8941%0.41347%0.466SS..Hα-helixtrans-56.3-31.9177.9-66.60000113.2E9 D34 V35 A36E9-S32 WeakPolarHBondContact OE1-CB 3.46Å; E9-S32 PolarHBondContact OE1-OG 3.44Å; S32-D34 VanDerWaalsContact C-N 3.34Å; S32-D34 PolarHBondContact O-N 2.83Å; S32-V35 PolarHBondContact O-N 3.44Å; S32-A36 PolarHBondContact O-N 2.88Å
33S87.6Confident85.8Confident69 Ų6983.7 Ų83.748%0.48344%0.443SS..Hα-helixtrans-61.8-41.1174.451.10000112.4H31 V35 A36 H37H31-S33 PolarHBondContact O-N 3.45Å; H31-S33 VanDerWaalsContact O-N 3.16Å; S33-V35 VanDerWaalsContact C-N 3.33Å; S33-A36 PolarHBondContact O-N 3.01Å; S33-H37 PolarHBondContact O-CD2 3.08Å; S33-H37 PolarHBondContact O-N 3.39Å
34D86.6Confident85.9Confident54 Ų5481.5 Ų81.529%0.28944%0.44SS..Hα-helixtrans-66.8-40179.5-53-39.1000110.3V30 H31 S32 A36 H37 I38V30-D34 HydrophobicContact CG1-CB 4.03Å; H31-D34 IonicContact CD2-OD2 3.91Å; H31-D34 PolarHBondContact N-OD2 2.95Å; H31-D34 WeakPolarHBondContact O-CB 3.45Å; H31-D34 PolarHBondContact O-N 3.33Å; S32-D34 VanDerWaalsContact C-N 3.34Å; S32-D34 PolarHBondContact O-N 2.83Å; D34-A36 VanDerWaalsContact C-N 3.34Å; D34-A36 PolarHBondContact O-N 3.45Å; D34-H37 PolarHBondContact O-N 3.37Å; D34-I38 VanDerWaalsContact O-CG1 3.31Å; D34-I38 WeakPolarHBondContact O-CG1 3.48Å; D34-I38 PolarHBondContact O-N 3.44Å
35V88.5Confident86.2Confident4 Ų487.3 Ų87.32%0.02446%0.46CS..Hα-helixtrans-60.6-44.2175.6178.80000110.9L12 V13 V16 V30 H31 S32 S33 H37 I38 L39L12-V35 HydrophobicContact CB-CG1 4.06Å; V13-V35 HydrophobicContact CB-CG2 4.3Å; V13-V35 HydrophobicContact CG2-CG2 3.8Å; V16-V35 HydrophobicContact CB-CG2 4.13Å; V16-V35 HydrophobicContact CG1-CG2 4.36Å; V16-V35 HydrophobicContact CG2-CG1 4.2Å; V16-V35 HydrophobicContact CG2-CG2 4.15Å; V30-V35 HydrophobicContact CG1-CG2 3.71Å; H31-V35 PolarHBondContact O-N 2.9Å; S32-V35 PolarHBondContact O-N 3.44Å; S33-V35 VanDerWaalsContact C-N 3.33Å; V35-H37 PolarHBondContact O-N 3.21Å; V35-I38 PolarHBondContact O-N 3.4Å; V35-L39 HydrophobicContact CG1-CD1 3.89Å; V35-L39 HydrophobicContact CG1-CG 4.13Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 3.26Å
36A87.2Confident86.8Confident51 Ų5183 Ų8342%0.42143%0.427SS..Hα-helixtrans-58.7-46.8178.100000111.7S32 S33 D34 I38 L39 E40S32-A36 PolarHBondContact O-N 2.88Å; S33-A36 PolarHBondContact O-N 3.01Å; D34-A36 VanDerWaalsContact C-N 3.34Å; D34-A36 PolarHBondContact O-N 3.45Å; A36-I38 PolarHBondContact O-N 3.04Å; A36-L39 PolarHBondContact O-N 3.2Å; A36-E40 WeakPolarHBondContact O-CG 3.41Å; A36-E40 PolarHBondContact O-N 2.86Å
37H88Confident87.2Confident141 Ų14179 Ų7965%0.65341%0.413SS*.Hα-helixtrans-62.2-41.6176.9-70.6-58.7000112.9S33 D34 V35 E40 A41S33-H37 PolarHBondContact O-CD2 3.08Å; S33-H37 PolarHBondContact O-N 3.39Å; D34-H37 PolarHBondContact O-N 3.37Å; V35-H37 PolarHBondContact O-N 3.21Å; H37-E40 PolarHBondContact O-N 3.29Å; H37-A41 PolarHBondContact O-N 2.96Å; H37-A41 VanDerWaalsContact O-N 3.1Å
38I89.7Confident87.8Confident69 Ų6976.8 Ų76.835%0.35440%0.404SS..Hα-helixtrans-66.1-41177.7-70.4165.8000111V16 D34 V35 A36 A41 I42V16-I38 HydrophobicContact CG1-CD1 3.45Å; V16-I38 VanDerWaalsContact CG1-CD1 3.45Å; V16-I38 HydrophobicContact CG2-CG2 4.48Å; D34-I38 VanDerWaalsContact O-CG1 3.31Å; D34-I38 WeakPolarHBondContact O-CG1 3.48Å; D34-I38 PolarHBondContact O-N 3.44Å; V35-I38 PolarHBondContact O-N 3.4Å; A36-I38 PolarHBondContact O-N 3.04Å; I38-A41 PolarHBondContact O-N 2.96Å; I38-I42 HydrophobicContact CG2-CD1 3.74Å; I38-I42 HydrophobicContact CG2-CG1 4.38Å; I38-I42 VanDerWaalsContact O-CG1 3.25Å; I38-I42 WeakPolarHBondContact O-CG1 3.39Å; I38-I42 PolarHBondContact O-N 3.34Å
39L89.6Confident87.9Confident9 Ų978 Ų785%0.04741%0.409CS..Hα-helixtrans-62.7-42.9177.1-73.2172.7000111.8M1 L12 V35 A36 I42 K43 I53 F66M1-L39 HydrophobicContact CE-CD2 4.38Å; M1-L39 HydrophobicContact SD-CD2 4.09Å; L12-L39 HydrophobicContact CD1-CD1 3.86Å; L12-L39 HydrophobicContact CD1-CD2 4.29Å; V35-L39 HydrophobicContact CG1-CD1 3.89Å; V35-L39 HydrophobicContact CG1-CG 4.13Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 3.26Å; A36-L39 PolarHBondContact O-N 3.2Å; L39-I42 PolarHBondContact O-N 2.98Å; L39-K43 WeakPolarHBondContact O-CB 3.33Å; L39-K43 VanDerWaalsContact O-CG 3.28Å; L39-K43 WeakPolarHBondContact O-CG 3.16Å; L39-K43 PolarHBondContact O-N 3.45Å; L39-I53 HydrophobicContact CD2-CD1 4.16Å; L39-F66 HydrophobicContact CD1-CD1 4.06Å; L39-F66 HydrophobicContact CD1-CE1 3.84Å
40E89.9Confident87.6Confident96 Ų9671.9 Ų71.945%0.44939%0.389SS..Hα-helixtrans-62-45.1175.7-67.5-5012600111.4A36 H37 I42 K43 E44A36-E40 WeakPolarHBondContact O-CG 3.41Å; A36-E40 PolarHBondContact O-N 2.86Å; H37-E40 PolarHBondContact O-N 3.29Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 2.75Å; E40-K43 WeakPolarHBondContact O-CB 3.18Å; E40-K43 PolarHBondContact O-N 3.02Å; E40-K43 VanDerWaalsContact O-N 3.16Å; E40-K43 WeakPolarHBondContact OE1-CE 3.36Å; E40-K43 IonicContact OE1-NZ 2.66Å; E40-K43 PolarHBondContact OE1-NZ 3.5Å; E40-K43 IonicContact OE2-NZ 3.84Å; E40-E44 PolarHBondContact O-N 3.07Å
41A91.2Very high87.7Confident48 Ų4875.4 Ų75.440%0.39740%0.404SS..Hα-helixtrans-62.7-33.6175.600000113.1H37 I38 K45H37-A41 PolarHBondContact O-N 2.96Å; H37-A41 VanDerWaalsContact O-N 3.1Å; I38-A41 PolarHBondContact O-N 2.96Å; A41-K45 WeakPolarHBondContact O-CG 3.38Å; A41-K45 PolarHBondContact O-N 3.07Å
42I90Very high87.8Confident63 Ų6371.6 Ų71.632%0.32339%0.389SS..Hα-helixtrans-69.5-46.8173.5-70.4166.9000110.2I38 L39 E40 E44 K45 I46 I53I38-I42 HydrophobicContact CG2-CD1 3.74Å; I38-I42 HydrophobicContact CG2-CG1 4.38Å; I38-I42 VanDerWaalsContact O-CG1 3.25Å; I38-I42 WeakPolarHBondContact O-CG1 3.39Å; I38-I42 PolarHBondContact O-N 3.34Å; L39-I42 PolarHBondContact O-N 2.98Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 2.75Å; I42-E44 VanDerWaalsContact C-N 3.31Å; I42-E44 PolarHBondContact O-N 2.88Å; I42-K45 PolarHBondContact O-N 3.09Å; I42-I46 HydrophobicContact CG2-CD1 4.41Å; I42-I46 HydrophobicContact CG2-CG2 4.11Å; I42-I46 WeakPolarHBondContact O-CG1 3.38Å; I42-I46 PolarHBondContact O-N 3.49Å; I42-I53 HydrophobicContact CB-CD1 4.47Å; I42-I53 HydrophobicContact CG2-CD1 3.77Å
43K89.9Confident88.1Confident48 Ų4869 Ų6921%0.20937%0.37CS..Hα-helixtrans-53.6-48.6179.2-77175.9-166.2178.70111.1L39 E40 K45 I46 D47 I53L39-K43 WeakPolarHBondContact O-CB 3.33Å; L39-K43 VanDerWaalsContact O-CG 3.28Å; L39-K43 WeakPolarHBondContact O-CG 3.16Å; L39-K43 PolarHBondContact O-N 3.45Å; E40-K43 WeakPolarHBondContact O-CB 3.18Å; E40-K43 PolarHBondContact O-N 3.02Å; E40-K43 VanDerWaalsContact O-N 3.16Å; E40-K43 WeakPolarHBondContact OE1-CE 3.36Å; E40-K43 IonicContact OE1-NZ 2.66Å; E40-K43 PolarHBondContact OE1-NZ 3.5Å; E40-K43 IonicContact OE2-NZ 3.84Å; K43-K45 VanDerWaalsContact C-N 3.27Å; K43-K45 PolarHBondContact O-N 3.47Å; K43-I46 WeakPolarHBondContact O-CG1 3.49Å; K43-I46 PolarHBondContact O-N 3.3Å; K43-D47 WeakPolarHBondContact O-CB 3.48Å; K43-D47 PolarHBondContact O-N 3.48Å; K43-I53 HydrophobicContact CD-CB 4.34Å; K43-I53 WeakPolarHBondContact CE-O 3.5Å; K43-I53 HydrophobicContact CG-CB 3.83Å; K43-I53 HydrophobicContact CG-CD1 4.26Å; K43-I53 HydrophobicContact CG-CG1 4.37Å
44E89.5Confident88.3Confident151 Ų15166.7 Ų66.771%0.70635%0.353SS*.Hα-helixtrans-57.1-39.8177.8-71.5176.9176.500112.5E40 I42E40-E44 PolarHBondContact O-N 3.07Å; I42-E44 VanDerWaalsContact C-N 3.31Å; I42-E44 PolarHBondContact O-N 2.88Å
45K90.4Very high88.6Confident160 Ų16068.6 Ų68.670%0.69636%0.358SS*.Hα-helixtrans-75.3-36.5-179.5-72-179179.3-177.10113.7A41 I42 K43 S48 H49A41-K45 WeakPolarHBondContact O-CG 3.38Å; A41-K45 PolarHBondContact O-N 3.07Å; I42-K45 PolarHBondContact O-N 3.09Å; K43-K45 VanDerWaalsContact C-N 3.27Å; K43-K45 PolarHBondContact O-N 3.47Å; K45-S48 PolarHBondContact O-OG 3.1Å; K45-H49 PolarHBondContact O-CD2 3.04Å
46I88.7Confident88.9Confident37 Ų3771.2 Ų71.219%0.1937%0.368CS..Hα-helixtrans-83.9-17.1-17967.4172.9000112.3I42 K43 S48 H49 F51 I53 L68I42-I46 HydrophobicContact CG2-CD1 4.41Å; I42-I46 HydrophobicContact CG2-CG2 4.11Å; I42-I46 WeakPolarHBondContact O-CG1 3.38Å; I42-I46 PolarHBondContact O-N 3.49Å; K43-I46 WeakPolarHBondContact O-CG1 3.49Å; K43-I46 PolarHBondContact O-N 3.3Å; I46-S48 VanDerWaalsContact C-N 3.32Å; I46-S48 PolarHBondContact O-N 3.45Å; I46-H49 WeakPolarHBondContact O-CA 3.46Å; I46-H49 WeakPolarHBondContact O-CB 3.47Å; I46-H49 PolarHBondContact O-N 3.26Å; I46-F51 HydrophobicContact CB-CB 4.24Å; I46-F51 HydrophobicContact CD1-CB 4.11Å; I46-F51 HydrophobicContact CG1-CB 4.31Å; I46-F51 PolarHBondContact O-N 2.84Å; I46-I53 HydrophobicContact CD1-CD1 4.08Å; I46-I53 HydrophobicContact CD1-CG1 3.89Å; I46-L68 HydrophobicContact CD1-CD1 3.45Å; I46-L68 VanDerWaalsContact CD1-CD1 3.45Å
47D86.8Confident89.2Confident71 Ų7169.1 Ų69.138%0.3835%0.349SS..Hα-helixtrans-59-44-179.4-169.315.9000111.8K43 H49 G50 F51 K71K43-D47 WeakPolarHBondContact O-CB 3.48Å; K43-D47 PolarHBondContact O-N 3.48Å; D47-H49 PolarHBondContact O-N 3.44Å; D47-G50 PolarHBondContact O-N 3.3Å; D47-F51 WeakPolarHBondContact CA-O 3.24Å; D47-K71 WeakPolarHBondContact OD1-CD 3.27Å; D47-K71 WeakPolarHBondContact OD1-CE 3.38Å; D47-K71 IonicContact OD1-NZ 3.65Å; D47-K71 PolarHBondContact OD1-NZ 3.12Å; D47-K71 IonicContact OD2-NZ 3.57Å; D47-K71 PolarHBondContact OD2-NZ 3.24Å; D47-K71 VanDerWaalsContact OD2-NZ 3.09Å
48S84.5Confident89.4Confident99 Ų9962.8 Ų62.869%0.69232%0.32SS*.THydrogen-bonded Turntrans-61.1-16.3175.858.30000113.9K45 I46K45-S48 PolarHBondContact O-OG 3.1Å; I46-S48 VanDerWaalsContact C-N 3.32Å; I46-S48 PolarHBondContact O-N 3.45Å
49H83.3Confident89.5Confident135 Ų13561.3 Ų61.363%0.62531%0.312SS*.THydrogen-bonded Turntrans-97.97.3176.7-61.9-67.7000113K45 I46 D47 F51K45-H49 PolarHBondContact O-CD2 3.04Å; I46-H49 WeakPolarHBondContact O-CA 3.46Å; I46-H49 WeakPolarHBondContact O-CB 3.47Å; I46-H49 PolarHBondContact O-N 3.26Å; D47-H49 PolarHBondContact O-N 3.44Å; H49-F51 HydrophobicContact CB-CD2 4.01Å; H49-F51 HydrophobicContact CB-CE2 4.45Å; H49-F51 VanDerWaalsContact O-CD2 3.27Å; H49-F51 WeakPolarHBondContact O-CD2 3.43Å; H49-F51 WeakPolarHBondContact O-CE2 3.49Å
50G81.9Confident89.4Confident25 Ų2566.7 Ų66.726%0.25833%0.332SS..THydrogen-bonded Turntrans74.828.818000000112.9D47 S70 K71D47-G50 PolarHBondContact O-N 3.3Å; G50-S70 CarbonylContact O-C 3.59Å; G50-S70 WeakPolarHBondContact O-CA 3.47Å; G50-S70 PolarHBondContact O-OG 3.3Å; G50-K71 PolarHBondContact O-N 3.25Å
51F86.9Confident89.3Confident87 Ų8766.4 Ų66.438%0.38233%0.333SS..EExtended strand (participates in β ladder)trans-121.9158173.7-64.2-82.5000111.2I46 D47 H49 L68 I69I46-F51 HydrophobicContact CB-CB 4.24Å; I46-F51 HydrophobicContact CD1-CB 4.11Å; I46-F51 HydrophobicContact CG1-CB 4.31Å; I46-F51 PolarHBondContact O-N 2.84Å; D47-F51 WeakPolarHBondContact CA-O 3.24Å; H49-F51 HydrophobicContact CB-CD2 4.01Å; H49-F51 HydrophobicContact CB-CE2 4.45Å; H49-F51 VanDerWaalsContact O-CD2 3.27Å; H49-F51 WeakPolarHBondContact O-CD2 3.43Å; H49-F51 WeakPolarHBondContact O-CE2 3.49Å; F51-L68 HydrophobicContact CB-CD1 3.93Å; F51-I69 CarbonylContact C-O 3.52Å; F51-I69 WeakPolarHBondContact CA-O 3.41Å
52T89.7Confident89.2Confident28 Ų2865.1 Ų65.117%0.17233%0.325CS..EExtended strand (participates in β ladder)trans-146.1156.4172.1-172.80000111.1V54 L68 I69 K71T52-V54 HydrophobicContact CG2-CG1 4.02Å; T52-L68 WeakPolarHBondContact O-CA 3.28Å; T52-I69 HydrophobicContact CG2-CD1 3.88Å; T52-I69 HydrophobicContact CG2-CG1 3.44Å; T52-I69 VanDerWaalsContact CG2-CG1 3.44Å; T52-I69 PolarHBondContact N-O 2.82Å; T52-I69 PolarHBondContact O-N 3.31Å; T52-K71 VanDerWaalsContact CB-CE 3.47Å; T52-K71 HydrophobicContact CG2-CG 3.82Å
53I90.9Very high89.3Confident5 Ų563.6 Ų63.63%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-102.5119.8170.1-63.6160.8000108.2M1 L39 I42 K43 I46 F66 L67 L68M1-I53 HydrophobicContact CE-CD1 3.73Å; M1-I53 HydrophobicContact CE-CG1 3.95Å; M1-I53 HydrophobicContact CE-CG2 4.13Å; M1-I53 HydrophobicContact SD-CD1 4.14Å; L39-I53 HydrophobicContact CD2-CD1 4.16Å; I42-I53 HydrophobicContact CB-CD1 4.47Å; I42-I53 HydrophobicContact CG2-CD1 3.77Å; K43-I53 HydrophobicContact CD-CB 4.34Å; K43-I53 WeakPolarHBondContact CE-O 3.5Å; K43-I53 HydrophobicContact CG-CB 3.83Å; K43-I53 HydrophobicContact CG-CD1 4.26Å; K43-I53 HydrophobicContact CG-CG1 4.37Å; I46-I53 HydrophobicContact CD1-CD1 4.08Å; I46-I53 HydrophobicContact CD1-CG1 3.89Å; I53-F66 HydrophobicContact CG2-CB 4.47Å; I53-F66 HydrophobicContact CG2-CD1 4.36Å; I53-L67 CarbonylContact C-O 3.57Å; I53-L67 WeakPolarHBondContact CA-O 3.35Å; I53-L68 HydrophobicContact CG1-CD1 4.04Å
54V91Very high89.3Confident19 Ų1964.6 Ų64.612%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-110.1148.6175.3-62.10000110.7T52 R56 F66 L67 I69T52-V54 HydrophobicContact CG2-CG1 4.02Å; V54-R56 HydrophobicContact CB-CG 4.49Å; V54-R56 HydrophobicContact CG2-CG 3.97Å; V54-F66 WeakPolarHBondContact O-CA 3.36Å; V54-L67 HydrophobicContact CG2-CB 3.85Å; V54-L67 HydrophobicContact CG2-CD1 4.17Å; V54-L67 PolarHBondContact N-O 3.4Å; V54-L67 PolarHBondContact O-N 2.83Å; V54-I69 HydrophobicContact CB-CD1 4.45Å; V54-I69 HydrophobicContact CG1-CD1 3.71Å; V54-I69 HydrophobicContact CG1-CG1 4.25Å; V54-I69 HydrophobicContact CG2-CD1 3.84Å; V54-I69 HydrophobicContact CG2-CG1 4.25Å; V54-I69 HydrophobicContact CG2-CG2 4.27Å
55K92.8Very high89.5Confident94 Ų9458.7 Ų58.741%0.40930%0.299SS..EExtended strand (participates in β ladder)trans-101.6127.1168.8-171177.9-177.8173.60107.7Q64 K65 F66K55-Q64 HydrophobicContact CD-CB 4.38Å; K55-Q64 HydrophobicContact CG-CB 4.19Å; K55-K65 CarbonylContact C-O 3.55Å; K55-K65 WeakPolarHBondContact CA-O 3.35Å; K55-F66 HydrophobicContact CB-CD1 4.3Å; K55-F66 HydrophobicContact CB-CE1 4.21Å; K55-F66 HydrophobicContact CD-CE1 4.04Å; K55-F66 HydrophobicContact CD-CE2 4.43Å; K55-F66 HydrophobicContact CD-CZ 3.83Å; K55-F66 HydrophobicContact CG-CD1 4.45Å; K55-F66 HydrophobicContact CG-CE1 4.14Å; K55-F66 HydrophobicContact CG-CE2 4.46Å; K55-F66 HydrophobicContact CG-CZ 4.15Å
56R94.5Very high89.6Confident59 Ų5952.1 Ų52.122%0.22327%0.271CS..EExtended strand (participates in β ladder)trans-137.7145.8-177.2-64.9-62.4-173.2-111.911.7111.1V54 K65 L67 V150 A154 E157 F174V54-R56 HydrophobicContact CB-CG 4.49Å; V54-R56 HydrophobicContact CG2-CG 3.97Å; R56-K65 PolarHBondContact N-O 3.49Å; R56-K65 PolarHBondContact O-N 3.01Å; R56-L67 HydrophobicContact CB-CD1 3.71Å; R56-L67 HydrophobicContact CG-CD1 3.75Å; R56-V150 HydrophobicContact CB-CG2 3.99Å; R56-A154 HydrophobicContact CG-CB 4.14Å; R56-E157 IonicContact NH2-OE2 3.88Å; R56-F174 HydrophobicContact CB-CD1 4.29Å; R56-F174 HydrophobicContact CB-CE1 3.92Å; R56-F174 HydrophobicContact CB-CZ 4.14Å; R56-F174 HydrophobicContact CG-CD2 4.4Å; R56-F174 HydrophobicContact CG-CE1 4.23Å; R56-F174 HydrophobicContact CG-CE2 4.13Å; R56-F174 HydrophobicContact CG-CZ 4.03Å; R56-F174 VanDerWaalsContact NE-CD2 3.34Å
57L93.5Very high89.8Confident7 Ų750.3 Ų50.34%0.03726%0.261CS..EExtended strand (participates in β ladder)trans-78.1131.8173.4-176.475.8000109.4G62 H192 Q194L57-G62 VanDerWaalsContact CD1-O 3.23Å; L57-G62 WeakPolarHBondContact CD1-O 3.27Å; L57-H192 HydrophobicContact CD2-CB 3.47Å; L57-H192 VanDerWaalsContact CD2-CB 3.47Å; L57-Q194 HydrophobicContact CD1-CB 4.01Å; L57-Q194 HydrophobicContact CD1-CG 3.99Å; L57-Q194 HydrophobicContact CD2-CB 4.05Å
58D93.4Very high89.9Confident8 Ų848.1 Ų48.14%0.04325%0.249CC..  trans-90112.8161.3-172.4-23.3000108.1R60 D61 G62 A63 K65 V150D58-R60 PolarHBondContact O-N 3.04Å; D58-R60 VanDerWaalsContact O-N 3.13Å; D58-R60 WeakPolarHBondContact OD1-CB 3.4Å; D58-R60 IonicContact OD1-CZ 2.86Å; D58-R60 PolarHBondContact OD1-N 3.49Å; D58-R60 IonicContact OD1-NE 2.71Å; D58-R60 PolarHBondContact OD1-NE 3.16Å; D58-R60 IonicContact OD1-NH2 2.69Å; D58-R60 IonicContact OD2-CZ 3.19Å; D58-R60 IonicContact OD2-NE 3.09Å; D58-R60 IonicContact OD2-NH2 2.93Å; D58-R60 PolarHBondContact OD2-NH2 3.07Å; D58-D61 WeakPolarHBondContact CB-OD1 3.43Å; D58-G62 WeakPolarHBondContact O-CA 3.41Å; D58-G62 PolarHBondContact O-N 3.31Å; D58-A63 PolarHBondContact N-O 3.31Å; D58-K65 HydrophobicContact CB-CG 4.09Å; D58-V150 HydrophobicContact CB-CB 4.2Å; D58-V150 HydrophobicContact CB-CG2 4.28Å
59E92.1Very high89.9Confident39 Ų3944.4 Ų44.418%0.18222%0.222CC..THydrogen-bonded Turntrans-61.5-21.8-174.8-72-179.8-155.500113.7L176 F177 T178 H192E59-L176 VanDerWaalsContact OE1-CA 3.26Å; E59-L176 WeakPolarHBondContact OE1-CA 3.39Å; E59-F177 PolarHBondContact OE1-N 3.38Å; E59-T178 HydrophobicContact CB-CG2 4.42Å; E59-T178 VanDerWaalsContact OE2-CB 3.26Å; E59-T178 WeakPolarHBondContact OE2-CB 3.36Å; E59-T178 VanDerWaalsContact OE2-CG2 3.32Å; E59-T178 WeakPolarHBondContact OE2-CG2 3.15Å; E59-T178 PolarHBondContact OE2-N 3.4Å; E59-T178 PolarHBondContact OE2-OG1 2.96Å; E59-H192 VanDerWaalsContact CD-CD2 3.43Å; E59-H192 VanDerWaalsContact CG-CD2 3.43Å; E59-H192 WeakPolarHBondContact CG-CD2 3.4Å; E59-H192 IonicContact OE1-CD2 3.09Å; E59-H192 PolarHBondContact OE1-CD2 2.96Å; E59-H192 IonicContact OE1-NE2 2.85Å; E59-H192 PolarHBondContact OE1-NE2 3.26Å
60R86.7Confident89.8Confident122 Ų12239.9 Ų39.946%0.4621%0.205SC..THydrogen-bonded Turntrans-77.5-41.2-173.5-59.2173-61.3148.9-3.9112.3D58 T138D58-R60 PolarHBondContact O-N 3.04Å; D58-R60 VanDerWaalsContact O-N 3.13Å; D58-R60 WeakPolarHBondContact OD1-CB 3.4Å; D58-R60 IonicContact OD1-CZ 2.86Å; D58-R60 PolarHBondContact OD1-N 3.49Å; D58-R60 IonicContact OD1-NE 2.71Å; D58-R60 PolarHBondContact OD1-NE 3.16Å; D58-R60 IonicContact OD1-NH2 2.69Å; D58-R60 IonicContact OD2-CZ 3.19Å; D58-R60 IonicContact OD2-NE 3.09Å; D58-R60 IonicContact OD2-NH2 2.93Å; D58-R60 PolarHBondContact OD2-NH2 3.07Å; R60-T138 PolarHBondContact NH1-OG1 3.45Å; R60-T138 PolarHBondContact NH2-OG1 3.08Å
61D88.2Confident89.5Confident89 Ų8942.9 Ų42.948%0.47621%0.211SC..THydrogen-bonded Turntrans-109.9-5.6-178.968.75.2000112.9D58 A63 K65D58-D61 WeakPolarHBondContact CB-OD1 3.43Å; D61-A63 PolarHBondContact O-N 3.35Å; D61-A63 WeakPolarHBondContact OD1-CB 3.43Å; D61-A63 PolarHBondContact OD1-N 3.19Å; D61-K65 IonicContact OD1-NZ 3.92Å; D61-K65 WeakPolarHBondContact OD2-CE 3.47Å; D61-K65 IonicContact OD2-NZ 2.71Å; D61-K65 PolarHBondContact OD2-NZ 2.98Å
62G89.1Confident88.5Confident21 Ų2144.3 Ų44.322%0.21623%0.227CC..  trans68.98-177.300000113.6L57 D58L57-G62 VanDerWaalsContact CD1-O 3.23Å; L57-G62 WeakPolarHBondContact CD1-O 3.27Å; D58-G62 WeakPolarHBondContact O-CA 3.41Å; D58-G62 PolarHBondContact O-N 3.31Å
63A90.7Very high87.1Confident32 Ų3245 Ų4526%0.26423%0.229SC..  trans-87.8147.5-175.100000111.6D58 D61 K65D58-A63 PolarHBondContact N-O 3.31Å; D61-A63 PolarHBondContact O-N 3.35Å; D61-A63 WeakPolarHBondContact OD1-CB 3.43Å; D61-A63 PolarHBondContact OD1-N 3.19Å; A63-K65 HydrophobicContact CB-CD 4.49Å
64Q91.5Very high85.7Confident69 Ų6948.4 Ų48.432%0.32225%0.25SS..EExtended strand (participates in β ladder)trans-82.5127.4171.6-63.5-68.9-35.100109.9K55K55-Q64 HydrophobicContact CD-CB 4.38Å; K55-Q64 HydrophobicContact CG-CB 4.19Å
65K93Very high84.4Confident27 Ų2752.3 Ų52.312%0.11727%0.271CS..EExtended strand (participates in β ladder)trans-116.3142.4178.8-49.7-63.7-173.2-174.10109.6V6 S7 T8 K55 R56 D58 D61 A63 V150V6-K65 HydrophobicContact CG1-CB 3.82Å; V6-K65 HydrophobicContact CG1-CG 4.23Å; S7-K65 CarbonylContact O-C 3.6Å; T8-K65 HydrophobicContact CG2-CD 3.83Å; K55-K65 CarbonylContact C-O 3.55Å; K55-K65 WeakPolarHBondContact CA-O 3.35Å; R56-K65 PolarHBondContact N-O 3.49Å; R56-K65 PolarHBondContact O-N 3.01Å; D58-K65 HydrophobicContact CB-CG 4.09Å; D61-K65 IonicContact OD1-NZ 3.92Å; D61-K65 WeakPolarHBondContact OD2-CE 3.47Å; D61-K65 IonicContact OD2-NZ 2.71Å; D61-K65 PolarHBondContact OD2-NZ 2.98Å; A63-K65 HydrophobicContact CB-CD 4.49Å; K65-V150 HydrophobicContact CB-CG1 4.16Å; K65-V150 HydrophobicContact CG-CG1 4.1Å
66F92.8Very high82.8Confident21 Ų2155.5 Ų55.59%0.09229%0.285CS..EExtended strand (participates in β ladder)trans-104.1130.3175.7-65.8-100.8000109.4S7 E9 L12 L39 I53 V54 K55S7-F66 PolarHBondContact N-O 3.3Å; S7-F66 PolarHBondContact O-N 3.42Å; E9-F66 HydrophobicContact CB-CE2 4.03Å; E9-F66 HydrophobicContact CG-CE2 4.41Å; L12-F66 HydrophobicContact CD1-CB 3.53Å; L12-F66 HydrophobicContact CD1-CD1 3.7Å; L12-F66 HydrophobicContact CD1-CD2 3.37Å; L12-F66 HydrophobicContact CD1-CE1 4.17Å; L12-F66 HydrophobicContact CD1-CE2 3.88Å; L12-F66 HydrophobicContact CD1-CG 3.25Å; L12-F66 HydrophobicContact CD1-CZ 4.24Å; L12-F66 HydrophobicContact CG-CB 4.43Å; L12-F66 HydrophobicContact CG-CD2 4.42Å; L12-F66 HydrophobicContact CG-CG 4.47Å; L39-F66 HydrophobicContact CD1-CD1 4.06Å; L39-F66 HydrophobicContact CD1-CE1 3.84Å; I53-F66 HydrophobicContact CG2-CB 4.47Å; I53-F66 HydrophobicContact CG2-CD1 4.36Å; V54-F66 WeakPolarHBondContact O-CA 3.36Å; K55-F66 HydrophobicContact CB-CD1 4.3Å; K55-F66 HydrophobicContact CB-CE1 4.21Å; K55-F66 HydrophobicContact CD-CE1 4.04Å; K55-F66 HydrophobicContact CD-CE2 4.43Å; K55-F66 HydrophobicContact CD-CZ 3.83Å; K55-F66 HydrophobicContact CG-CD1 4.45Å; K55-F66 HydrophobicContact CG-CE1 4.14Å; K55-F66 HydrophobicContact CG-CE2 4.46Å; K55-F66 HydrophobicContact CG-CZ 4.15Å
67L91.8Very high81Confident0 Ų057 Ų570%029%0.294CS..EExtended strand (participates in β ladder)trans-129.2133.3-169.8-67.3135.6000109.4Q5 V6 I53 V54 R56 I69 V150 R151 A154Q5-L67 WeakPolarHBondContact O-CA 3.5Å; V6-L67 HydrophobicContact CB-CD2 4.34Å; V6-L67 HydrophobicContact CG1-CD2 4.23Å; V6-L67 HydrophobicContact CG2-CD2 3.73Å; I53-L67 CarbonylContact C-O 3.57Å; I53-L67 WeakPolarHBondContact CA-O 3.35Å; V54-L67 HydrophobicContact CG2-CB 3.85Å; V54-L67 HydrophobicContact CG2-CD1 4.17Å; V54-L67 PolarHBondContact N-O 3.4Å; V54-L67 PolarHBondContact O-N 2.83Å; R56-L67 HydrophobicContact CB-CD1 3.71Å; R56-L67 HydrophobicContact CG-CD1 3.75Å; L67-I69 HydrophobicContact CB-CG2 4.03Å; L67-V150 HydrophobicContact CD1-CG2 4.25Å; L67-V150 HydrophobicContact CD2-CG1 4.31Å; L67-R151 VanDerWaalsContact CD2-CA 3.48Å; L67-R151 HydrophobicContact CD2-CB 3.58Å; L67-R151 HydrophobicContact CD2-CG 3.75Å; L67-A154 HydrophobicContact CD1-CB 3.94Å
68L89Confident79.7Confident24 Ų2461.1 Ų61.113%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-91.2114.5166177.468.6000107.7L2 Q5 I46 F51 T52 I53L2-L68 HydrophobicContact CD2-CD2 3.41Å; L2-L68 VanDerWaalsContact CD2-CD2 3.41Å; L2-L68 HydrophobicContact CG-CD2 4.2Å; Q5-L68 PolarHBondContact O-N 3.3Å; I46-L68 HydrophobicContact CD1-CD1 3.45Å; I46-L68 VanDerWaalsContact CD1-CD1 3.45Å; F51-L68 HydrophobicContact CB-CD1 3.93Å; T52-L68 WeakPolarHBondContact O-CA 3.28Å; I53-L68 HydrophobicContact CG1-CD1 4.04Å
69I86.1Confident78.4Confident22 Ų2266 Ų6611%0.11333%0.331CS..EExtended strand (participates in β ladder)trans-121.2152.8-17965.2172.2000110.2F51 T52 V54 L67 A154 E155F51-I69 CarbonylContact C-O 3.52Å; F51-I69 WeakPolarHBondContact CA-O 3.41Å; T52-I69 HydrophobicContact CG2-CD1 3.88Å; T52-I69 HydrophobicContact CG2-CG1 3.44Å; T52-I69 VanDerWaalsContact CG2-CG1 3.44Å; T52-I69 PolarHBondContact N-O 2.82Å; T52-I69 PolarHBondContact O-N 3.31Å; V54-I69 HydrophobicContact CB-CD1 4.45Å; V54-I69 HydrophobicContact CG1-CD1 3.71Å; V54-I69 HydrophobicContact CG1-CG1 4.25Å; V54-I69 HydrophobicContact CG2-CD1 3.84Å; V54-I69 HydrophobicContact CG2-CG1 4.25Å; V54-I69 HydrophobicContact CG2-CG2 4.27Å; L67-I69 HydrophobicContact CB-CG2 4.03Å; I69-A154 HydrophobicContact CG2-CB 4.49Å; I69-E155 HydrophobicContact CB-CG 3.94Å; I69-E155 HydrophobicContact CG2-CG 3.51Å
70S80.2Confident76.6Confident40 Ų4068.2 Ų68.228%0.2835%0.348SS..EExtended strand (participates in β ladder)trans-73.6127.5169.5-164.70000109.2G50 V72G50-S70 CarbonylContact O-C 3.59Å; G50-S70 WeakPolarHBondContact O-CA 3.47Å; G50-S70 PolarHBondContact O-OG 3.3Å; S70-V72 PolarHBondContact O-N 3.37Å
71K75.6Confident75.3Confident87 Ų8766.6 Ų66.638%0.37835%0.345SS..SBendtrans-65.9125.4158.6-65.5-167.2179.1-168.80106.5D47 G50 T52D47-K71 WeakPolarHBondContact OD1-CD 3.27Å; D47-K71 WeakPolarHBondContact OD1-CE 3.38Å; D47-K71 IonicContact OD1-NZ 3.65Å; D47-K71 PolarHBondContact OD1-NZ 3.12Å; D47-K71 IonicContact OD2-NZ 3.57Å; D47-K71 PolarHBondContact OD2-NZ 3.24Å; D47-K71 VanDerWaalsContact OD2-NZ 3.09Å; G50-K71 PolarHBondContact O-N 3.25Å; T52-K71 VanDerWaalsContact CB-CE 3.47Å; T52-K71 HydrophobicContact CG2-CG 3.82Å
72V66.2Low74.1Confident117 Ų11768 Ų6871%0.70935%0.349SS*.SBendtrans13.5104.6176.1-174.40000113.9S70 T74S70-V72 PolarHBondContact O-N 3.37Å; V72-T74 PolarHBondContact O-N 3.24Å; V72-T74 VanDerWaalsContact O-N 3.14Å
73L60.1Low72.7Confident42 Ų4274 Ų7422%0.2238%0.376CS..  trans-48.8125.9169.4-65.7170.2000109Q77 R78 E81L73-Q77 HydrophobicContact CB-CB 4.18Å; L73-Q77 HydrophobicContact CD2-CB 4.1Å; L73-R78 HydrophobicContact CB-CG 3.54Å; L73-R78 HydrophobicContact CD1-CG 4.18Å; L73-R78 VanDerWaalsContact O-CZ 3.23Å; L73-R78 PolarHBondContact O-NH1 3.15Å; L73-E81 WeakPolarHBondContact CD1-OE2 3.24Å
74T61.3Low70.9Confident77 Ų7777.3 Ų77.347%0.47240%0.396SS..  trans-56.9153.217160.30000109.1V72 K76 Q77 R78V72-T74 PolarHBondContact O-N 3.24Å; V72-T74 VanDerWaalsContact O-N 3.14Å; T74-K76 PolarHBondContact O-N 3.43Å; T74-K76 VanDerWaalsContact O-N 3.11Å; T74-Q77 CarbonylContact O-C 3.54Å; T74-Q77 WeakPolarHBondContact O-CA 3.4Å; T74-Q77 WeakPolarHBondContact O-CB 3.41Å; T74-Q77 PolarHBondContact O-N 3.36Å; T74-Q77 WeakPolarHBondContact OG1-CB 3.44Å; T74-Q77 VanDerWaalsContact OG1-CD 3.31Å; T74-Q77 VanDerWaalsContact OG1-CG 3.26Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.2Å; T74-Q77 PolarHBondContact OG1-N 2.97Å; T74-Q77 PolarHBondContact OG1-OE1 3.26Å; T74-R78 PolarHBondContact O-N 3.09Å
75N64Low70.2Confident102 Ų10280.4 Ų80.455%0.54541%0.405SS..Hα-helixtrans-50.3-40.2177.2-75.8-16.5000112.2R78 E79N75-R78 WeakPolarHBondContact O-CB 3.36Å; N75-R78 PolarHBondContact O-N 2.72Å; N75-R78 PolarHBondContact OD1-NE 3.27Å; N75-R78 PolarHBondContact OD1-NH2 3.04Å; N75-E79 WeakPolarHBondContact O-CB 3.37Å; N75-E79 VanDerWaalsContact O-CG 3.23Å; N75-E79 WeakPolarHBondContact O-CG 3.25Å; N75-E79 PolarHBondContact O-N 3.33Å
76K58.5Low69.6Low161 Ų16179.6 Ų79.670%0.741%0.405SS*.Hα-helixtrans-65-37.9175.2-73.1-174.3175.9-177.10113.6T74 V80T74-K76 PolarHBondContact O-N 3.43Å; T74-K76 VanDerWaalsContact O-N 3.11Å; K76-V80 WeakPolarHBondContact O-CB 3.43Å; K76-V80 WeakPolarHBondContact O-CG2 3.04Å; K76-V80 PolarHBondContact O-N 2.9Å
77Q57.7Low69.2Low89 Ų8980.5 Ų80.542%0.41642%0.416SS..Hα-helixtrans-70.3-39174.8-75165.2-47.400111.3L73 T74 V80 E81L73-Q77 HydrophobicContact CB-CB 4.18Å; L73-Q77 HydrophobicContact CD2-CB 4.1Å; T74-Q77 CarbonylContact O-C 3.54Å; T74-Q77 WeakPolarHBondContact O-CA 3.4Å; T74-Q77 WeakPolarHBondContact O-CB 3.41Å; T74-Q77 PolarHBondContact O-N 3.36Å; T74-Q77 WeakPolarHBondContact OG1-CB 3.44Å; T74-Q77 VanDerWaalsContact OG1-CD 3.31Å; T74-Q77 VanDerWaalsContact OG1-CG 3.26Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.2Å; T74-Q77 PolarHBondContact OG1-N 2.97Å; T74-Q77 PolarHBondContact OG1-OE1 3.26Å; Q77-V80 PolarHBondContact O-N 3.13Å; Q77-E81 WeakPolarHBondContact O-CB 3.34Å; Q77-E81 WeakPolarHBondContact O-CG 3.4Å; Q77-E81 PolarHBondContact O-N 2.71Å
78R65.9Low69.1Low95 Ų9582.3 Ų82.336%0.35842%0.424SS..Hα-helixtrans-58.1-51.7171.2-72.2-168.1-88.9-111.12.8111L73 T74 N75 V80 E81 E82L73-R78 HydrophobicContact CB-CG 3.54Å; L73-R78 HydrophobicContact CD1-CG 4.18Å; L73-R78 VanDerWaalsContact O-CZ 3.23Å; L73-R78 PolarHBondContact O-NH1 3.15Å; T74-R78 PolarHBondContact O-N 3.09Å; N75-R78 WeakPolarHBondContact O-CB 3.36Å; N75-R78 PolarHBondContact O-N 2.72Å; N75-R78 PolarHBondContact OD1-NE 3.27Å; N75-R78 PolarHBondContact OD1-NH2 3.04Å; R78-V80 VanDerWaalsContact C-N 3.34Å; R78-V80 PolarHBondContact O-N 3.25Å; R78-E81 PolarHBondContact O-N 3.21Å; R78-E82 VanDerWaalsContact O-CB 3.27Å; R78-E82 WeakPolarHBondContact O-CB 3.34Å; R78-E82 VanDerWaalsContact O-CG 3.24Å; R78-E82 WeakPolarHBondContact O-CG 3.34Å; R78-E82 PolarHBondContact O-N 2.86Å
79E65.5Low69Low109 Ų10983.2 Ų83.251%0.50943%0.431SS..Hα-helixtrans-58.1-44.2177.4-73.9163.8-164.500111.4N75 E82 D83N75-E79 WeakPolarHBondContact O-CB 3.37Å; N75-E79 VanDerWaalsContact O-CG 3.23Å; N75-E79 WeakPolarHBondContact O-CG 3.25Å; N75-E79 PolarHBondContact O-N 3.33Å; E79-E82 PolarHBondContact O-N 3.15Å; E79-D83 VanDerWaalsContact O-CB 3.26Å; E79-D83 WeakPolarHBondContact O-CB 3.38Å; E79-D83 PolarHBondContact O-N 3.06Å
80V53.9Low69.1Low87 Ų8789.6 Ų89.653%0.52745%0.453SS..Hα-helixtrans-68-38.9177.8169.70000112.2K76 Q77 R78 C84K76-V80 WeakPolarHBondContact O-CB 3.43Å; K76-V80 WeakPolarHBondContact O-CG2 3.04Å; K76-V80 PolarHBondContact O-N 2.9Å; Q77-V80 PolarHBondContact O-N 3.13Å; R78-V80 VanDerWaalsContact C-N 3.34Å; R78-V80 PolarHBondContact O-N 3.25Å; V80-C84 WeakPolarHBondContact O-CB 3.45Å; V80-C84 PolarHBondContact O-N 3.32Å; V80-C84 PolarHBondContact O-SG 2.77Å
81E61.2Low69.7Low88 Ų8888 Ų8841%0.41144%0.442SS..Hα-helixtrans-68.9-39.7175.1-75.7-172.3-178.300111.5L73 Q77 R78 R85L73-E81 WeakPolarHBondContact CD1-OE2 3.24Å; Q77-E81 WeakPolarHBondContact O-CB 3.34Å; Q77-E81 WeakPolarHBondContact O-CG 3.4Å; Q77-E81 PolarHBondContact O-N 2.71Å; R78-E81 PolarHBondContact O-N 3.21Å; E81-R85 CarbonylContact O-C 3.47Å; E81-R85 WeakPolarHBondContact O-CA 3.14Å; E81-R85 VanDerWaalsContact O-CB 3.24Å; E81-R85 WeakPolarHBondContact O-CB 3.2Å; E81-R85 PolarHBondContact O-N 3.34Å
82E63.2Low70.5Confident119 Ų11984.6 Ų84.656%0.55643%0.427SS*.Hα-helixtrans-65.9-40.6174.4-73.9173.1-174.400111.8R78 E79 G86R78-E82 VanDerWaalsContact O-CB 3.27Å; R78-E82 WeakPolarHBondContact O-CB 3.34Å; R78-E82 VanDerWaalsContact O-CG 3.24Å; R78-E82 WeakPolarHBondContact O-CG 3.34Å; R78-E82 PolarHBondContact O-N 2.86Å; E79-E82 PolarHBondContact O-N 3.15Å; E82-G86 WeakPolarHBondContact O-CA 3.1Å; E82-G86 PolarHBondContact O-N 2.85Å
83D58Low71.8Confident145 Ų14582.5 Ų82.578%0.77541%0.407SS*.Hα-helixtrans-77.7-41.4179.9-81.8-12.7000112.6E79E79-D83 VanDerWaalsContact O-CB 3.26Å; E79-D83 WeakPolarHBondContact O-CB 3.38Å; E79-D83 PolarHBondContact O-N 3.06Å
84C53.8Low73.4Confident103 Ų10385.5 Ų85.570%0.69642%0.42SS*.Hα-helixtrans-83.6-25.7-177.4-62.60000113.1V80V80-C84 WeakPolarHBondContact O-CB 3.45Å; V80-C84 PolarHBondContact O-N 3.32Å; V80-C84 PolarHBondContact O-SG 2.77Å
85R75.8Confident75Confident133 Ų13381.8 Ų81.850%0.50240%0.397SS..Hα-helixtrans-127.911.4-176-59.8179.5175.3-1229.9113.8E81 A87 E88 T89E81-R85 CarbonylContact O-C 3.47Å; E81-R85 WeakPolarHBondContact O-CA 3.14Å; E81-R85 VanDerWaalsContact O-CB 3.24Å; E81-R85 WeakPolarHBondContact O-CB 3.2Å; E81-R85 PolarHBondContact O-N 3.34Å; R85-A87 CarbonylContact O-C 3.57Å; R85-A87 PolarHBondContact O-N 3.44Å; R85-E88 HydrophobicContact CB-CB 4.34Å; R85-E88 IonicContact CZ-OE2 2.58Å; R85-E88 IonicContact NH1-OE1 3.09Å; R85-E88 PolarHBondContact NH1-OE1 2.9Å; R85-E88 IonicContact NH1-OE2 3.44Å; R85-E88 PolarHBondContact NH1-OE2 2.93Å; R85-E88 WeakPolarHBondContact O-CA 3.33Å; R85-E88 WeakPolarHBondContact O-CB 3.39Å; R85-E88 PolarHBondContact O-N 2.66Å; R85-T89 PolarHBondContact O-N 3.27Å; R85-T89 PolarHBondContact O-OG1 2.84Å
86G80.9Confident76.5Confident11 Ų1177 Ų7711%0.11337%0.371CS..Hα-helixtrans-51.4-34.8-170.900000115.1E82 R90E82-G86 WeakPolarHBondContact O-CA 3.1Å; E82-G86 PolarHBondContact O-N 2.85Å; G86-R90 VanDerWaalsContact O-CB 3.32Å; G86-R90 WeakPolarHBondContact O-CB 3.35Å; G86-R90 WeakPolarHBondContact O-CG 3.46Å; G86-R90 PolarHBondContact O-N 2.9Å; G86-R90 PolarHBondContact O-NH1 2.9Å
87A85.2Confident78.3Confident39 Ų3971.2 Ų71.232%0.32235%0.348SS..Hα-helixtrans-71.6-41.7174.900000113.2R85 R90 L91 L121R85-A87 CarbonylContact O-C 3.57Å; R85-A87 PolarHBondContact O-N 3.44Å; A87-R90 PolarHBondContact O-N 3.49Å; A87-L91 PolarHBondContact O-N 2.9Å; A87-L121 HydrophobicContact CB-CD2 3.34Å; A87-L121 HydrophobicContact CB-CG 4.06Å
88E88.5Confident80.2Confident38 Ų3870 Ų7018%0.17834%0.344CS..Hα-helixtrans-61.4-47.9173173.2-177.8-176.200110.3R85 R90 L91 F92 L121 I127 W131R85-E88 HydrophobicContact CB-CB 4.34Å; R85-E88 IonicContact CZ-OE2 2.58Å; R85-E88 IonicContact NH1-OE1 3.09Å; R85-E88 PolarHBondContact NH1-OE1 2.9Å; R85-E88 IonicContact NH1-OE2 3.44Å; R85-E88 PolarHBondContact NH1-OE2 2.93Å; R85-E88 WeakPolarHBondContact O-CA 3.33Å; R85-E88 WeakPolarHBondContact O-CB 3.39Å; R85-E88 PolarHBondContact O-N 2.66Å; E88-R90 PolarHBondContact O-N 2.86Å; E88-L91 PolarHBondContact O-N 2.86Å; E88-F92 PolarHBondContact O-N 2.89Å; E88-L121 HydrophobicContact CB-CD1 4.5Å; E88-I127 HydrophobicContact CG-CG2 3.76Å; E88-W131 HydrophobicContact CG-CH2 4.46Å; E88-W131 HydrophobicContact CG-CZ2 3.57Å; E88-W131 PolarHBondContact OE1-NE1 3.25Å
89T86.7Confident81.7Confident43 Ų4365.5 Ų65.526%0.26433%0.327SS..Hα-helixtrans-60.3-45.2178-56.30000111.5R85 L91 F92 Y93R85-T89 PolarHBondContact O-N 3.27Å; R85-T89 PolarHBondContact O-OG1 2.84Å; T89-L91 PolarHBondContact O-N 3.31Å; T89-F92 PolarHBondContact O-N 2.81Å; T89-Y93 HydrophobicContact CG2-CD2 3.72Å; T89-Y93 HydrophobicContact CG2-CE2 3.63Å; T89-Y93 VanDerWaalsContact O-CD2 3.26Å; T89-Y93 WeakPolarHBondContact O-CD2 3.36Å; T89-Y93 PolarHBondContact O-N 2.95Å
90R88.6Confident83.2Confident156 Ų15660.7 Ų60.759%0.58930%0.304SS*.Hα-helixtrans-59.1-47.6175-79.9-174.1-59.8-92.35.2111.9G86 A87 E88 F92 Y93 E94G86-R90 VanDerWaalsContact O-CB 3.32Å; G86-R90 WeakPolarHBondContact O-CB 3.35Å; G86-R90 WeakPolarHBondContact O-CG 3.46Å; G86-R90 PolarHBondContact O-N 2.9Å; G86-R90 PolarHBondContact O-NH1 2.9Å; A87-R90 PolarHBondContact O-N 3.49Å; E88-R90 PolarHBondContact O-N 2.86Å; R90-F92 VanDerWaalsContact C-N 3.3Å; R90-F92 PolarHBondContact O-N 3.09Å; R90-Y93 PolarHBondContact O-N 2.58Å; R90-E94 WeakPolarHBondContact O-CG 3.45Å; R90-E94 PolarHBondContact O-N 2.93Å
91L92.2Very high85.1Confident8 Ų863 Ų634%0.04231%0.309CS..Hα-helixtrans-59.1-42.5177.5-17869000111.6A87 E88 T89 E94 I95 M115 L121 V124 W131A87-L91 PolarHBondContact O-N 2.9Å; E88-L91 PolarHBondContact O-N 2.86Å; T89-L91 PolarHBondContact O-N 3.31Å; L91-E94 PolarHBondContact O-N 2.7Å; L91-I95 WeakPolarHBondContact O-CG1 3.26Å; L91-I95 PolarHBondContact O-N 2.71Å; L91-I95 VanDerWaalsContact O-N 3.14Å; L91-M115 HydrophobicContact CD1-CE 3.4Å; L91-M115 VanDerWaalsContact CD1-CE 3.4Å; L91-M115 HydrophobicContact CD1-CG 4.13Å; L91-M115 HydrophobicContact CD1-SD 3.88Å; L91-M115 HydrophobicContact CG-CE 4.03Å; L91-L121 HydrophobicContact CB-CD1 3.95Å; L91-L121 HydrophobicContact CD2-CD1 3.75Å; L91-L121 HydrophobicContact CG-CD1 4.47Å; L91-V124 HydrophobicContact CD2-CG2 3.42Å; L91-V124 VanDerWaalsContact CD2-CG2 3.42Å; L91-W131 HydrophobicContact CB-CH2 4.24Å; L91-W131 HydrophobicContact CD2-CH2 4.03Å; L91-W131 HydrophobicContact CD2-CZ3 4.26Å; L91-W131 HydrophobicContact CG-CH2 4.11Å; L91-W131 HydrophobicContact CG-CZ3 4.4Å
92F93.2Very high86.7Confident15 Ų1560.4 Ų60.47%0.06630%0.3CS..Hα-helixtrans-60.8-48.1177.1179.7-108.4000111.7E88 T89 R90 E94 I95 V96 W131 W136 L137 A152 I156E88-F92 PolarHBondContact O-N 2.89Å; T89-F92 PolarHBondContact O-N 2.81Å; R90-F92 VanDerWaalsContact C-N 3.3Å; R90-F92 PolarHBondContact O-N 3.09Å; F92-E94 VanDerWaalsContact C-N 3.32Å; F92-E94 PolarHBondContact O-N 3.11Å; F92-I95 WeakPolarHBondContact O-CB 3.4Å; F92-I95 PolarHBondContact O-N 3.18Å; F92-I95 VanDerWaalsContact O-N 3.15Å; F92-V96 HydrophobicContact CD1-CG2 4.07Å; F92-V96 HydrophobicContact CE1-CG2 3.65Å; F92-V96 HydrophobicContact CE2-CG2 4.26Å; F92-V96 HydrophobicContact CZ-CG2 3.74Å; F92-V96 WeakPolarHBondContact O-CG2 3.47Å; F92-V96 PolarHBondContact O-N 3.48Å; F92-W131 HydrophobicContact CB-CH2 3.69Å; F92-W131 HydrophobicContact CB-CZ2 3.68Å; F92-W131 HydrophobicContact CB-CZ3 4.37Å; F92-W131 HydrophobicContact CD2-CD2 4.15Å; F92-W131 HydrophobicContact CD2-CE3 4.23Å; F92-W131 HydrophobicContact CD2-CH2 4.38Å; F92-W131 HydrophobicContact CD2-CZ2 4.29Å; F92-W131 HydrophobicContact CD2-CZ3 4.37Å; F92-W131 HydrophobicContact CG-CZ2 4.38Å; F92-W136 HydrophobicContact CE1-CE3 4.15Å; F92-W136 HydrophobicContact CE1-CZ3 4.25Å; F92-W136 HydrophobicContact CE2-CB 4.25Å; F92-W136 HydrophobicContact CE2-CE3 4.16Å; F92-W136 HydrophobicContact CZ-CD2 4.48Å; F92-W136 AromaticContact CZ-CE3 3.59Å; F92-W136 HydrophobicContact CZ-CE3 3.59Å; F92-W136 HydrophobicContact CZ-CZ3 4.13Å; F92-L137 HydrophobicContact CE2-CD2 4.45Å; F92-A152 HydrophobicContact CZ-CB 4.14Å; F92-I156 HydrophobicContact CE1-CD1 4.15Å
93Y92.8Very high88.1Confident72 Ų7259.1 Ų59.128%0.28231%0.305SS..Hα-helixtrans-68.3-28.8179.5-79.6-71000113.3T89 R90 V96 D97 I156 F159T89-Y93 HydrophobicContact CG2-CD2 3.72Å; T89-Y93 HydrophobicContact CG2-CE2 3.63Å; T89-Y93 VanDerWaalsContact O-CD2 3.26Å; T89-Y93 WeakPolarHBondContact O-CD2 3.36Å; T89-Y93 PolarHBondContact O-N 2.95Å; R90-Y93 PolarHBondContact O-N 2.58Å; Y93-V96 PolarHBondContact O-N 3.13Å; Y93-D97 WeakPolarHBondContact O-CB 3.16Å; Y93-D97 PolarHBondContact O-N 2.87Å; Y93-I156 HydrophobicContact CE1-CD1 4.45Å; Y93-F159 HydrophobicContact CD1-CD1 4.27Å; Y93-F159 AromaticContact CD1-CE1 3.55Å; Y93-F159 HydrophobicContact CD1-CE1 3.55Å; Y93-F159 HydrophobicContact CD1-CE2 4.18Å; Y93-F159 AromaticContact CD1-CZ 3.48Å; Y93-F159 HydrophobicContact CD1-CZ 3.48Å; Y93-F159 VanDerWaalsContact CD1-CZ 3.48Å; Y93-F159 AromaticContact CE1-CD1 3.7Å; Y93-F159 HydrophobicContact CE1-CD1 3.7Å; Y93-F159 HydrophobicContact CE1-CD2 4.18Å; Y93-F159 AromaticContact CE1-CE1 3.46Å; Y93-F159 HydrophobicContact CE1-CE1 3.46Å; Y93-F159 VanDerWaalsContact CE1-CE1 3.46Å; Y93-F159 AromaticContact CE1-CE2 3.96Å; Y93-F159 HydrophobicContact CE1-CE2 3.96Å; Y93-F159 HydrophobicContact CE1-CG 4.04Å; Y93-F159 AromaticContact CE1-CZ 3.58Å; Y93-F159 HydrophobicContact CE1-CZ 3.58Å
94E93.8Very high89.7Confident105 Ų10557.6 Ų57.649%0.49129%0.293SS..Hα-helixtrans-62.7-41.4169.4-74.8172.4-164.300111.6R90 L91 F92 D97 M98R90-E94 WeakPolarHBondContact O-CG 3.45Å; R90-E94 PolarHBondContact O-N 2.93Å; L91-E94 PolarHBondContact O-N 2.7Å; F92-E94 VanDerWaalsContact C-N 3.32Å; F92-E94 PolarHBondContact O-N 3.11Å; E94-D97 PolarHBondContact O-N 2.82Å; E94-M98 VanDerWaalsContact O-CG 3.26Å; E94-M98 WeakPolarHBondContact O-CG 3.42Å; E94-M98 PolarHBondContact O-N 3.43Å; E94-M98 VanDerWaalsContact O-N 3.08Å
95I95.9Very high91.7Very high0 Ų054.7 Ų54.70%027%0.267CS..Hα-helixtrans-63.6-46.7173.1-63.5166.3000110.8L91 F92 D97 M98 I99 W111 L112 M115 W131 L137L91-I95 WeakPolarHBondContact O-CG1 3.26Å; L91-I95 PolarHBondContact O-N 2.71Å; L91-I95 VanDerWaalsContact O-N 3.14Å; F92-I95 WeakPolarHBondContact O-CB 3.4Å; F92-I95 PolarHBondContact O-N 3.18Å; F92-I95 VanDerWaalsContact O-N 3.15Å; I95-D97 VanDerWaalsContact C-N 3.32Å; I95-D97 PolarHBondContact O-N 2.98Å; I95-M98 PolarHBondContact O-N 3.43Å; I95-I99 HydrophobicContact CG2-CD1 3.66Å; I95-I99 HydrophobicContact CG2-CG1 4.23Å; I95-I99 WeakPolarHBondContact O-CG1 3.39Å; I95-I99 PolarHBondContact O-N 2.97Å; I95-W111 HydrophobicContact CG1-CZ3 4.48Å; I95-L112 HydrophobicContact CD1-CD1 3.65Å; I95-L112 HydrophobicContact CG1-CD1 4.03Å; I95-M115 HydrophobicContact CD1-CE 3.4Å; I95-M115 VanDerWaalsContact CD1-CE 3.4Å; I95-M115 HydrophobicContact CG1-CE 3.07Å; I95-M115 HydrophobicContact CG1-SD 3.82Å; I95-W131 HydrophobicContact CD1-CE3 4.13Å; I95-W131 HydrophobicContact CD1-CH2 4.5Å; I95-W131 HydrophobicContact CD1-CZ3 3.54Å; I95-L137 HydrophobicContact CD1-CD1 4.36Å; I95-L137 HydrophobicContact CG2-CD2 4.12Å
96V95.7Very high92.7Very high0 Ų053 Ų530%026%0.261CS..Hα-helixtrans-56.3-49.7177.7172.30000109.7F92 Y93 M98 I99 M100 L148 I156 F159 L160 Y164F92-V96 HydrophobicContact CD1-CG2 4.07Å; F92-V96 HydrophobicContact CE1-CG2 3.65Å; F92-V96 HydrophobicContact CE2-CG2 4.26Å; F92-V96 HydrophobicContact CZ-CG2 3.74Å; F92-V96 WeakPolarHBondContact O-CG2 3.47Å; F92-V96 PolarHBondContact O-N 3.48Å; Y93-V96 PolarHBondContact O-N 3.13Å; V96-M98 VanDerWaalsContact C-N 3.29Å; V96-M98 PolarHBondContact O-N 2.93Å; V96-I99 PolarHBondContact O-N 2.98Å; V96-M100 HydrophobicContact CG1-CG 4.13Å; V96-M100 VanDerWaalsContact O-CB 3.31Å; V96-M100 WeakPolarHBondContact O-CB 3.39Å; V96-M100 WeakPolarHBondContact O-CG 3.48Å; V96-M100 PolarHBondContact O-N 2.79Å; V96-L148 HydrophobicContact CG1-CD1 4.39Å; V96-L148 HydrophobicContact CG2-CD2 3.91Å; V96-I156 HydrophobicContact CG1-CD1 4.19Å; V96-I156 HydrophobicContact CG2-CD1 4.02Å; V96-F159 HydrophobicContact CG1-CE1 4.12Å; V96-L160 HydrophobicContact CG1-CD2 3.8Å; V96-Y164 HydrophobicContact CG1-CE2 4.22Å
97D96.4Very high93.5Very high40 Ų4053.1 Ų53.121%0.21426%0.259CS..Hα-helixtrans-54-46.3177.4-92-44000112Y93 E94 I95 M100 Q101 K163 Y164Y93-D97 WeakPolarHBondContact O-CB 3.16Å; Y93-D97 PolarHBondContact O-N 2.87Å; E94-D97 PolarHBondContact O-N 2.82Å; I95-D97 VanDerWaalsContact C-N 3.32Å; I95-D97 PolarHBondContact O-N 2.98Å; D97-M100 CarbonylContact O-C 3.43Å; D97-M100 PolarHBondContact O-N 3.12Å; D97-Q101 VanDerWaalsContact O-CG 3.24Å; D97-Q101 WeakPolarHBondContact O-CG 3.5Å; D97-Q101 PolarHBondContact O-N 3.2Å; D97-K163 VanDerWaalsContact OD1-CE 3.3Å; D97-K163 WeakPolarHBondContact OD1-CE 3.34Å; D97-K163 IonicContact OD1-NZ 2.71Å; D97-K163 PolarHBondContact OD1-NZ 2.98Å; D97-K163 IonicContact OD2-NZ 2.8Å; D97-K163 PolarHBondContact OD2-NZ 3.46Å; D97-Y164 WeakPolarHBondContact CA-OH 3.39Å; D97-Y164 PolarHBondContact OD1-OH 3.27Å
98M96.9Very high94Very high65 Ų6555.9 Ų55.932%0.3227%0.269SS..Hα-helixtrans-70.1-40.5-177.9-71.6-68.7-45.400112.8E94 I95 V96 M100 Q101 S102 V107 W111E94-M98 VanDerWaalsContact O-CG 3.26Å; E94-M98 WeakPolarHBondContact O-CG 3.42Å; E94-M98 PolarHBondContact O-N 3.43Å; E94-M98 VanDerWaalsContact O-N 3.08Å; I95-M98 PolarHBondContact O-N 3.43Å; V96-M98 VanDerWaalsContact C-N 3.29Å; V96-M98 PolarHBondContact O-N 2.93Å; M98-M100 VanDerWaalsContact C-N 3.28Å; M98-M100 PolarHBondContact O-N 3.39Å; M98-Q101 PolarHBondContact O-N 2.95Å; M98-S102 PolarHBondContact O-N 2.77Å; M98-V107 HydrophobicContact CB-CG1 4.18Å; M98-W111 HydrophobicContact CB-CH2 3.46Å; M98-W111 VanDerWaalsContact CB-CH2 3.46Å; M98-W111 HydrophobicContact CB-CZ2 3.71Å; M98-W111 HydrophobicContact CB-CZ3 4.07Å; M98-W111 HydrophobicContact CE-CZ2 3.91Å; M98-W111 HydrophobicContact CG-CH2 3.51Å; M98-W111 HydrophobicContact CG-CZ2 3.37Å; M98-W111 HydrophobicContact SD-CZ2 4.16Å
99I97.4Very high94.3Very high0 Ų055.5 Ų55.50%027%0.269CS..Hα-helixtrans-60.4-41.7171.2-71173.3000110.3I95 V96 S102 R105 V107 L137 L148 F177I95-I99 HydrophobicContact CG2-CD1 3.66Å; I95-I99 HydrophobicContact CG2-CG1 4.23Å; I95-I99 WeakPolarHBondContact O-CG1 3.39Å; I95-I99 PolarHBondContact O-N 2.97Å; V96-I99 PolarHBondContact O-N 2.98Å; I99-S102 WeakPolarHBondContact O-CB 3.09Å; I99-S102 PolarHBondContact O-N 2.94Å; I99-R105 WeakPolarHBondContact CG2-O 3.42Å; I99-R105 WeakPolarHBondContact O-CA 3.33Å; I99-V107 HydrophobicContact CG1-CB 4.49Å; I99-V107 HydrophobicContact CG1-CG1 3.88Å; I99-V107 HydrophobicContact CG1-CG2 3.97Å; I99-L137 HydrophobicContact CD1-CD2 4.31Å; I99-L148 HydrophobicContact CD1-CD2 3.84Å; I99-L148 HydrophobicContact CD1-CG 4.22Å; I99-L148 HydrophobicContact CG2-CG 4.2Å; I99-F177 HydrophobicContact CG2-CE2 4.39Å; I99-F177 HydrophobicContact CG2-CZ 3.82Å
100M96.4Very high94.7Very high8 Ų859.1 Ų59.14%0.03929%0.291CS..Hα-helixtrans-74.6-24-178.6-68.2-57.3-70.600113.4V96 D97 M98 S102 R105 L160 Y164 L166 F177V96-M100 HydrophobicContact CG1-CG 4.13Å; V96-M100 VanDerWaalsContact O-CB 3.31Å; V96-M100 WeakPolarHBondContact O-CB 3.39Å; V96-M100 WeakPolarHBondContact O-CG 3.48Å; V96-M100 PolarHBondContact O-N 2.79Å; D97-M100 CarbonylContact O-C 3.43Å; D97-M100 PolarHBondContact O-N 3.12Å; M98-M100 VanDerWaalsContact C-N 3.28Å; M98-M100 PolarHBondContact O-N 3.39Å; M100-S102 VanDerWaalsContact C-N 3.34Å; M100-R105 VanDerWaalsContact CE-NH1 3.28Å; M100-R105 PolarHBondContact O-NH1 2.9Å; M100-L160 HydrophobicContact CE-CD2 4.4Å; M100-L160 HydrophobicContact CG-CD2 4.26Å; M100-L160 HydrophobicContact SD-CD2 4.24Å; M100-Y164 HydrophobicContact CB-CD1 3.61Å; M100-Y164 HydrophobicContact CB-CD2 4.2Å; M100-Y164 HydrophobicContact CB-CE1 3.42Å; M100-Y164 VanDerWaalsContact CB-CE1 3.42Å; M100-Y164 HydrophobicContact CB-CE2 4.04Å; M100-Y164 HydrophobicContact CB-CG 3.99Å; M100-Y164 VanDerWaalsContact CE-CB 3.41Å; M100-Y164 HydrophobicContact CE-CD1 4.19Å; M100-Y164 HydrophobicContact CE-CD2 3.54Å; M100-Y164 HydrophobicContact CE-CE2 4.33Å; M100-Y164 HydrophobicContact CE-CG 3.45Å; M100-Y164 VanDerWaalsContact CE-CG 3.45Å; M100-Y164 HydrophobicContact CG-CD1 4.19Å; M100-Y164 HydrophobicContact CG-CD2 3.84Å; M100-Y164 HydrophobicContact CG-CE1 4.03Å; M100-Y164 HydrophobicContact CG-CE2 3.66Å; M100-Y164 HydrophobicContact CG-CG 4.09Å; M100-Y164 HydrophobicContact SD-CD2 4.48Å; M100-L166 HydrophobicContact CE-CD1 3.69Å; M100-L166 HydrophobicContact CE-CD2 3.78Å; M100-L166 HydrophobicContact CE-CG 3.75Å; M100-F177 HydrophobicContact SD-CD2 4.31Å; M100-F177 HydrophobicContact SD-CE2 3.71Å
101Q95Very high95.1Very high136 Ų13655.6 Ų55.664%0.63628%0.278SS*.Hα-helixtrans-76.6-23172.1-73.7170.127.800112.7D97 M98D97-Q101 VanDerWaalsContact O-CG 3.24Å; D97-Q101 WeakPolarHBondContact O-CG 3.5Å; D97-Q101 PolarHBondContact O-N 3.2Å; M98-Q101 PolarHBondContact O-N 2.95Å
102S95.1Very high95.2Very high32 Ų3255.3 Ų55.322%0.22428%0.276CS..SBendtrans-71.1130.2173.71780000111.1M98 I99 M100 E104 R105 R106M98-S102 PolarHBondContact O-N 2.77Å; I99-S102 WeakPolarHBondContact O-CB 3.09Å; I99-S102 PolarHBondContact O-N 2.94Å; M100-S102 VanDerWaalsContact C-N 3.34Å; S102-E104 PolarHBondContact O-N 3.14Å; S102-E104 PolarHBondContact OG-N 3.1Å; S102-R105 PolarHBondContact O-N 3.08Å; S102-R106 WeakPolarHBondContact CB-O 3.46Å; S102-R106 PolarHBondContact OG-O 2.94Å
103S91.9Very high95.2Very high92 Ų9262.5 Ų62.564%0.64330%0.303SS*.THydrogen-bonded Turntrans-61.2-27.3175.5550000112.5N179S103-N179 PolarHBondContact O-ND2 2.47Å
104E92.6Very high95.3Very high114 Ų11461.1 Ų61.153%0.53331%0.311SS..THydrogen-bonded Turntrans-943179.3-60.1-176.9145.500112.9S102 R106S102-E104 PolarHBondContact O-N 3.14Å; S102-E104 PolarHBondContact OG-N 3.1Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 HydrophobicContact CB-CG 3.8Å; E104-R106 PolarHBondContact O-N 3.44Å; E104-R106 IonicContact OE1-NH2 3.12Å; E104-R106 PolarHBondContact OE1-NH2 3.33Å; E104-R106 VanDerWaalsContact OE1-NH2 3.12Å; E104-R106 IonicContact OE2-CZ 3.83Å; E104-R106 IonicContact OE2-NE 2.7Å; E104-R106 PolarHBondContact OE2-NE 2.88Å; E104-R106 IonicContact OE2-NH2 3.96Å; E104-R106 PolarHBondContact OE2-NH2 3.21Å
105R95.6Very high95.2Very high41 Ų4157 Ų5716%0.15529%0.292CS..SBendtrans56.940.6178.4-56.5-69.4-165.7-161.20.4113.1I99 M100 S102 S147 L166 F177I99-R105 WeakPolarHBondContact CG2-O 3.42Å; I99-R105 WeakPolarHBondContact O-CA 3.33Å; M100-R105 VanDerWaalsContact CE-NH1 3.28Å; M100-R105 PolarHBondContact O-NH1 2.9Å; S102-R105 PolarHBondContact O-N 3.08Å; R105-S147 PolarHBondContact O-OG 3.38Å; R105-L166 VanDerWaalsContact NH2-CD2 3.32Å; R105-F177 HydrophobicContact CB-CD1 4.35Å; R105-F177 HydrophobicContact CB-CE1 3.66Å; R105-F177 HydrophobicContact CB-CE2 4.21Å; R105-F177 HydrophobicContact CB-CZ 3.61Å; R105-F177 HydrophobicContact CG-CZ 4.46Å; R105-F177 WeakPolarHBondContact CG-O 3.44Å; R105-F177 PolarHBondContact NE-O 3.17Å
106R96Very high95Very high97 Ų9758.1 Ų58.137%0.36630%0.297SS..  trans-153.9158.5-178.863.7-168.5-177.2-180-2.1111.7S102 E104 V145 V146S102-R106 WeakPolarHBondContact CB-O 3.46Å; S102-R106 PolarHBondContact OG-O 2.94Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 HydrophobicContact CB-CG 3.8Å; E104-R106 PolarHBondContact O-N 3.44Å; E104-R106 IonicContact OE1-NH2 3.12Å; E104-R106 PolarHBondContact OE1-NH2 3.33Å; E104-R106 VanDerWaalsContact OE1-NH2 3.12Å; E104-R106 IonicContact OE2-CZ 3.83Å; E104-R106 IonicContact OE2-NE 2.7Å; E104-R106 PolarHBondContact OE2-NE 2.88Å; E104-R106 IonicContact OE2-NH2 3.96Å; E104-R106 PolarHBondContact OE2-NH2 3.21Å; R106-V145 HydrophobicContact CB-CB 4.44Å; R106-V145 HydrophobicContact CG-CB 4.46Å; R106-V146 CarbonylContact C-O 3.59Å; R106-V146 WeakPolarHBondContact CA-O 3.39Å; R106-V146 WeakPolarHBondContact CB-O 3.36Å
107V97Very high94.8Very high14 Ų1463.7 Ų63.79%0.08534%0.335CS..EExtended strand (participates in β ladder)trans-127.4154.2172.5-63.80000110.4M98 I99 W111 V145 V146M98-V107 HydrophobicContact CB-CG1 4.18Å; I99-V107 HydrophobicContact CG1-CB 4.49Å; I99-V107 HydrophobicContact CG1-CG1 3.88Å; I99-V107 HydrophobicContact CG1-CG2 3.97Å; V107-W111 HydrophobicContact CB-CD2 4.4Å; V107-W111 HydrophobicContact CB-CE3 3.76Å; V107-W111 HydrophobicContact CB-CZ3 4.32Å; V107-W111 HydrophobicContact CG1-CE3 4.01Å; V107-W111 HydrophobicContact CG1-CZ3 4.22Å; V107-W111 HydrophobicContact CG2-CE3 3.68Å; V107-W111 HydrophobicContact CG2-CZ3 3.98Å; V107-V145 CarbonylContact O-C 3.58Å; V107-V145 WeakPolarHBondContact O-CA 3.37Å; V107-V146 HydrophobicContact CG2-CB 4.13Å; V107-V146 PolarHBondContact N-O 2.85Å; V107-V146 PolarHBondContact O-N 3.24Å
108D96.3Very high94.5Very high98 Ų9866.1 Ų66.152%0.52436%0.355SS..EExtended strand (participates in β ladder)trans-69.5142.7173.7-64.9-68.7000111.8V110 W111 L112D108-V110 PolarHBondContact O-N 2.76Å; D108-W111 HydrophobicContact CB-CB 4.48Å; D108-W111 WeakPolarHBondContact O-CB 3.48Å; D108-W111 PolarHBondContact O-N 2.82Å; D108-L112 PolarHBondContact O-N 2.87Å; D108-L112 VanDerWaalsContact O-N 3.12Å
109T95.2Very high94.1Very high29 Ų2964.5 Ų64.518%0.17835%0.35CS..Hα-helixtrans-58.7-29.8174-63.40000111.8L112 R113 G143 L144T109-L112 PolarHBondContact O-N 3.19Å; T109-R113 WeakPolarHBondContact O-CG 3.46Å; T109-R113 PolarHBondContact O-N 3.13Å; T109-G143 PolarHBondContact OG1-O 3.15Å; T109-L144 WeakPolarHBondContact CB-O 3.37Å; T109-L144 PolarHBondContact N-O 2.83Å; T109-L144 PolarHBondContact OG1-O 3.01Å; T109-L144 VanDerWaalsContact OG1-O 3.11Å
110V95.1Very high93.7Very high120 Ų12076.4 Ų76.473%0.72740%0.395SS*.Hα-helixtrans-63.8-42.1174.2178.50000111.1D108 R113 G114D108-V110 PolarHBondContact O-N 2.76Å; V110-R113 PolarHBondContact O-N 2.93Å; V110-G114 PolarHBondContact O-N 3.37Å
111W96Very high93.3Very high81 Ų8177.5 Ų77.531%0.30740%0.401SS..Hα-helixtrans-63.9-46.5176.4176.788000110.9I95 M98 V107 D108 R113 G114 M115I95-W111 HydrophobicContact CG1-CZ3 4.48Å; M98-W111 HydrophobicContact CB-CH2 3.46Å; M98-W111 VanDerWaalsContact CB-CH2 3.46Å; M98-W111 HydrophobicContact CB-CZ2 3.71Å; M98-W111 HydrophobicContact CB-CZ3 4.07Å; M98-W111 HydrophobicContact CE-CZ2 3.91Å; M98-W111 HydrophobicContact CG-CH2 3.51Å; M98-W111 HydrophobicContact CG-CZ2 3.37Å; M98-W111 HydrophobicContact SD-CZ2 4.16Å; V107-W111 HydrophobicContact CB-CD2 4.4Å; V107-W111 HydrophobicContact CB-CE3 3.76Å; V107-W111 HydrophobicContact CB-CZ3 4.32Å; V107-W111 HydrophobicContact CG1-CE3 4.01Å; V107-W111 HydrophobicContact CG1-CZ3 4.22Å; V107-W111 HydrophobicContact CG2-CE3 3.68Å; V107-W111 HydrophobicContact CG2-CZ3 3.98Å; D108-W111 HydrophobicContact CB-CB 4.48Å; D108-W111 WeakPolarHBondContact O-CB 3.48Å; D108-W111 PolarHBondContact O-N 2.82Å; W111-R113 VanDerWaalsContact C-N 3.34Å; W111-R113 PolarHBondContact O-N 3.14Å; W111-G114 PolarHBondContact O-N 3.25Å; W111-G114 VanDerWaalsContact O-N 3.13Å; W111-M115 HydrophobicContact CH2-CE 4.43Å; W111-M115 HydrophobicContact CH2-CG 4.48Å; W111-M115 HydrophobicContact CH2-SD 3.45Å; W111-M115 WeakPolarHBondContact CH2-SD 3.44Å; W111-M115 HydrophobicContact CZ2-SD 4Å; W111-M115 HydrophobicContact CZ3-SD 4.08Å; W111-M115 PolarHBondContact O-N 3.27Å
112L95.8Very high92.9Very high3 Ų375.8 Ų75.82%0.01640%0.401CS..Hα-helixtrans-58.3-45.3177.618060.3000111.6I95 D108 T109 G114 M115 E116 V128 F132 V146I95-L112 HydrophobicContact CD1-CD1 3.65Å; I95-L112 HydrophobicContact CG1-CD1 4.03Å; D108-L112 PolarHBondContact O-N 2.87Å; D108-L112 VanDerWaalsContact O-N 3.12Å; T109-L112 PolarHBondContact O-N 3.19Å; L112-G114 PolarHBondContact O-N 3.03Å; L112-M115 HydrophobicContact CD1-CE 3.82Å; L112-M115 WeakPolarHBondContact O-CB 3.43Å; L112-M115 PolarHBondContact O-N 3.38Å; L112-E116 WeakPolarHBondContact O-CG 3.23Å; L112-E116 PolarHBondContact O-N 2.93Å; L112-V128 HydrophobicContact CD2-CG1 4.08Å; L112-F132 HydrophobicContact CD2-CE2 3.91Å; L112-F132 HydrophobicContact CD2-CZ 3.84Å; L112-V146 HydrophobicContact CD2-CB 4.48Å; L112-V146 HydrophobicContact CD2-CG1 4.2Å; L112-V146 HydrophobicContact CD2-CG2 3.95Å
113R93.5Very high92.6Very high165 Ų16580.3 Ų80.362%0.62342%0.423SS*.Hα-helixtrans-62.6-40.6175.6-73.9-178.9-177.2-138.12.8112.7T109 V110 W111 M115 E116 C117T109-R113 WeakPolarHBondContact O-CG 3.46Å; T109-R113 PolarHBondContact O-N 3.13Å; V110-R113 PolarHBondContact O-N 2.93Å; W111-R113 VanDerWaalsContact C-N 3.34Å; W111-R113 PolarHBondContact O-N 3.14Å; R113-M115 VanDerWaalsContact C-N 3.28Å; R113-M115 PolarHBondContact O-N 3.5Å; R113-E116 WeakPolarHBondContact O-CB 3.33Å; R113-E116 PolarHBondContact O-N 3.48Å; R113-C117 PolarHBondContact O-N 2.95Å; R113-C117 PolarHBondContact O-SG 3.16Å
114G94.1Very high92.6Very high44 Ų4476.7 Ų76.745%0.45440%0.397SS..Hα-helixtrans-59.4-42174.400000111.8V110 W111 L112 C117 S118V110-G114 PolarHBondContact O-N 3.37Å; W111-G114 PolarHBondContact O-N 3.25Å; W111-G114 VanDerWaalsContact O-N 3.13Å; L112-G114 PolarHBondContact O-N 3.03Å; G114-C117 PolarHBondContact O-N 3.02Å; G114-S118 PolarHBondContact O-N 2.95Å; G114-S118 VanDerWaalsContact O-N 3.1Å
115M92.3Very high92.6Very high17 Ų1774.5 Ų74.58%0.08439%0.392CS..Hα-helixtrans-66.8-42.8176.7-166.1-167.766.200112L91 I95 W111 L112 R113 C117 S118 S119L91-M115 HydrophobicContact CD1-CE 3.4Å; L91-M115 VanDerWaalsContact CD1-CE 3.4Å; L91-M115 HydrophobicContact CD1-CG 4.13Å; L91-M115 HydrophobicContact CD1-SD 3.88Å; L91-M115 HydrophobicContact CG-CE 4.03Å; I95-M115 HydrophobicContact CD1-CE 3.4Å; I95-M115 VanDerWaalsContact CD1-CE 3.4Å; I95-M115 HydrophobicContact CG1-CE 3.07Å; I95-M115 HydrophobicContact CG1-SD 3.82Å; W111-M115 HydrophobicContact CH2-CE 4.43Å; W111-M115 HydrophobicContact CH2-CG 4.48Å; W111-M115 HydrophobicContact CH2-SD 3.45Å; W111-M115 WeakPolarHBondContact CH2-SD 3.44Å; W111-M115 HydrophobicContact CZ2-SD 4Å; W111-M115 HydrophobicContact CZ3-SD 4.08Å; W111-M115 PolarHBondContact O-N 3.27Å; L112-M115 HydrophobicContact CD1-CE 3.82Å; L112-M115 WeakPolarHBondContact O-CB 3.43Å; L112-M115 PolarHBondContact O-N 3.38Å; R113-M115 VanDerWaalsContact C-N 3.28Å; R113-M115 PolarHBondContact O-N 3.5Å; M115-C117 PolarHBondContact O-N 3.41Å; M115-S118 WeakPolarHBondContact CA-OG 3.49Å; M115-S118 PolarHBondContact O-N 3.23Å; M115-S118 VanDerWaalsContact O-N 3.14Å; M115-S118 PolarHBondContact O-OG 3.2Å; M115-S119 PolarHBondContact O-N 3.47Å; M115-S119 VanDerWaalsContact O-N 3.08Å
116E91.4Very high92.5Very high24 Ų2479.1 Ų79.111%0.11241%0.41CS..Hα-helixtrans-54.1-49.5171.1-73.3179-147.900111.6L112 R113 S118 S119 V124 T125 V128L112-E116 WeakPolarHBondContact O-CG 3.23Å; L112-E116 PolarHBondContact O-N 2.93Å; R113-E116 WeakPolarHBondContact O-CB 3.33Å; R113-E116 PolarHBondContact O-N 3.48Å; E116-S118 PolarHBondContact O-N 3.46Å; E116-S119 WeakPolarHBondContact O-CB 3.43Å; E116-S119 PolarHBondContact O-N 2.93Å; E116-S119 VanDerWaalsContact O-N 3.09Å; E116-V124 HydrophobicContact CB-CG1 4.2Å; E116-V124 HydrophobicContact CB-CG2 4.39Å; E116-V124 HydrophobicContact CG-CG2 4.23Å; E116-V124 WeakPolarHBondContact O-CG1 3.25Å; E116-T125 WeakPolarHBondContact OE2-CA 2.98Å; E116-T125 WeakPolarHBondContact OE2-CB 3.2Å; E116-T125 PolarHBondContact OE2-OG1 2.94Å; E116-V128 HydrophobicContact CG-CG2 3.94Å; E116-V128 WeakPolarHBondContact OE1-CG1 3.4Å
117C90.4Very high92.3Very high118 Ų11875.7 Ų75.780%0.79740%0.399SS*.Hα-helixtrans-62.7-28.6179.3-67.90000113.5R113 G114 M115R113-C117 PolarHBondContact O-N 2.95Å; R113-C117 PolarHBondContact O-SG 3.16Å; G114-C117 PolarHBondContact O-N 3.02Å; M115-C117 PolarHBondContact O-N 3.41Å
118S90.9Very high92.1Very high90 Ų9075.1 Ų75.163%0.62940%0.395SS*.Hα-helixtrans-83.6-14.4177.373.20000113.8G114 M115 E116G114-S118 PolarHBondContact O-N 2.95Å; G114-S118 VanDerWaalsContact O-N 3.1Å; M115-S118 WeakPolarHBondContact CA-OG 3.49Å; M115-S118 PolarHBondContact O-N 3.23Å; M115-S118 VanDerWaalsContact O-N 3.14Å; M115-S118 PolarHBondContact O-OG 3.2Å; E116-S118 PolarHBondContact O-N 3.46Å
119S89Confident91.9Very high32 Ų3274.3 Ų74.322%0.22439%0.388CS..  trans-72.6140.9-176-172.20000111.9M115 E116 L121M115-S119 PolarHBondContact O-N 3.47Å; M115-S119 VanDerWaalsContact O-N 3.08Å; E116-S119 WeakPolarHBondContact O-CB 3.43Å; E116-S119 PolarHBondContact O-N 2.93Å; E116-S119 VanDerWaalsContact O-N 3.09Å; S119-L121 VanDerWaalsContact C-N 3.27Å; S119-L121 WeakPolarHBondContact OG-CB 3.17Å; S119-L121 PolarHBondContact OG-N 2.98Å
120R87.6Confident91.7Very high249 Ų24974.6 Ų74.694%0.9439%0.388SS*.  trans-86.10.4172.9-61.9-175.9-178.6-175.60.5112.9P122R120-P122 WeakPolarHBondContact O-CD 3.26Å
121L88.1Confident91.6Very high31 Ų3169.5 Ų69.516%0.16236%0.356CS..  trans-71.4125-179.7-81171.7000111.1A87 E88 L91 S119 N123 V124A87-L121 HydrophobicContact CB-CD2 3.34Å; A87-L121 HydrophobicContact CB-CG 4.06Å; E88-L121 HydrophobicContact CB-CD1 4.5Å; L91-L121 HydrophobicContact CB-CD1 3.95Å; L91-L121 HydrophobicContact CD2-CD1 3.75Å; L91-L121 HydrophobicContact CG-CD1 4.47Å; S119-L121 VanDerWaalsContact C-N 3.27Å; S119-L121 WeakPolarHBondContact OG-CB 3.17Å; S119-L121 PolarHBondContact OG-N 2.98Å; L121-N123 PolarHBondContact O-N 2.89Å; L121-V124 HydrophobicContact CB-CB 4.08Å; L121-V124 HydrophobicContact CB-CG2 4.44Å; L121-V124 PolarHBondContact O-N 2.93Å
122P86.8Confident91.5Very high100 Ų10068.7 Ų68.765%0.64935%0.354SS*.THydrogen-bonded Turntrans-58.2137.4167.1-20.432.5000110.1R120 V124R120-P122 WeakPolarHBondContact O-CD 3.26Å; P122-V124 PolarHBondContact O-N 3.26Å
123N88.8Confident91.3Very high127 Ų12776.7 Ų76.768%0.67938%0.384SS*.THydrogen-bonded Turntrans58.729.4178-51.1-45.3000114.6L121 T125 Y126 I127L121-N123 PolarHBondContact O-N 2.89Å; N123-T125 VanDerWaalsContact C-N 3.28Å; N123-T125 PolarHBondContact O-N 2.83Å; N123-Y126 WeakPolarHBondContact O-CA 2.92Å; N123-Y126 WeakPolarHBondContact O-CB 3.09Å; N123-Y126 PolarHBondContact O-N 2.89Å; N123-I127 PolarHBondContact O-N 3.14Å
124V92.2Very high91Very high16 Ų1671.6 Ų71.610%0.09737%0.368CS..Hα-helixtrans-50.3-44.2-179.2640000113.4L91 E116 L121 P122 Y126 I127 V128L91-V124 HydrophobicContact CD2-CG2 3.42Å; L91-V124 VanDerWaalsContact CD2-CG2 3.42Å; E116-V124 HydrophobicContact CB-CG1 4.2Å; E116-V124 HydrophobicContact CB-CG2 4.39Å; E116-V124 HydrophobicContact CG-CG2 4.23Å; E116-V124 WeakPolarHBondContact O-CG1 3.25Å; L121-V124 HydrophobicContact CB-CB 4.08Å; L121-V124 HydrophobicContact CB-CG2 4.44Å; L121-V124 PolarHBondContact O-N 2.93Å; P122-V124 PolarHBondContact O-N 3.26Å; V124-Y126 VanDerWaalsContact C-N 3.32Å; V124-Y126 PolarHBondContact O-N 2.77Å; V124-I127 WeakPolarHBondContact O-CB 3.41Å; V124-I127 PolarHBondContact O-N 2.87Å; V124-I127 VanDerWaalsContact O-N 3.13Å; V124-V128 HydrophobicContact CG2-CG2 4.37Å; V124-V128 WeakPolarHBondContact O-CG2 3.36Å; V124-V128 PolarHBondContact O-N 3.42Å
125T92.7Very high90.9Very high69 Ų6970.4 Ų70.442%0.42336%0.355SS..Hα-helixtrans-61.4-40.3177.5-58.90000111.9E116 N123 V128 E129E116-T125 WeakPolarHBondContact OE2-CA 2.98Å; E116-T125 WeakPolarHBondContact OE2-CB 3.2Å; E116-T125 PolarHBondContact OE2-OG1 2.94Å; N123-T125 VanDerWaalsContact C-N 3.28Å; N123-T125 PolarHBondContact O-N 2.83Å; T125-V128 PolarHBondContact O-N 3.36Å; T125-E129 WeakPolarHBondContact O-CB 3.45Å; T125-E129 WeakPolarHBondContact O-CG 3.39Å; T125-E129 PolarHBondContact O-N 2.83Å
126Y92.7Very high91Very high137 Ų13771.3 Ų71.354%0.53736%0.357SS..Hα-helixtrans-65-40.9175.1175.1-96.9000111.7N123 V124 E129 Q130N123-Y126 WeakPolarHBondContact O-CA 2.92Å; N123-Y126 WeakPolarHBondContact O-CB 3.09Å; N123-Y126 PolarHBondContact O-N 2.89Å; V124-Y126 VanDerWaalsContact C-N 3.32Å; V124-Y126 PolarHBondContact O-N 2.77Å; Y126-E129 WeakPolarHBondContact O-CB 3.26Å; Y126-E129 PolarHBondContact O-N 3.4Å; Y126-Q130 HydrophobicContact CD1-CG 4.26Å; Y126-Q130 HydrophobicContact CE1-CG 3.81Å; Y126-Q130 HydrophobicContact CE2-CG 4.42Å; Y126-Q130 VanDerWaalsContact CE2-NE2 3.28Å; Y126-Q130 WeakPolarHBondContact O-CG 3.37Å; Y126-Q130 PolarHBondContact O-N 2.82Å
127I91.5Very high91.2Very high26 Ų2670.2 Ų70.213%0.13335%0.353CS..Hα-helixtrans-60.2-50.1176.6-68.1170.1000110.2E88 N123 V124 E129 Q130 W131E88-I127 HydrophobicContact CG-CG2 3.76Å; N123-I127 PolarHBondContact O-N 3.14Å; V124-I127 WeakPolarHBondContact O-CB 3.41Å; V124-I127 PolarHBondContact O-N 2.87Å; V124-I127 VanDerWaalsContact O-N 3.13Å; I127-E129 VanDerWaalsContact C-N 3.35Å; I127-E129 PolarHBondContact O-N 3.37Å; I127-Q130 WeakPolarHBondContact O-CA 2.95Å; I127-Q130 WeakPolarHBondContact O-CB 3.18Å; I127-Q130 PolarHBondContact O-N 3.31Å; I127-W131 HydrophobicContact CG2-CD2 4.33Å; I127-W131 HydrophobicContact CG2-CH2 4.07Å; I127-W131 HydrophobicContact CG2-CZ2 3.62Å; I127-W131 PolarHBondContact O-N 3.14Å
128V93Very high91.4Very high1 Ų165.9 Ų65.91%0.00632%0.322CS..Hα-helixtrans-62.2-42.1178.4175.10000111.1L112 E116 V124 T125 Q130 W131 F132 L137L112-V128 HydrophobicContact CD2-CG1 4.08Å; E116-V128 HydrophobicContact CG-CG2 3.94Å; E116-V128 WeakPolarHBondContact OE1-CG1 3.4Å; V124-V128 HydrophobicContact CG2-CG2 4.37Å; V124-V128 WeakPolarHBondContact O-CG2 3.36Å; V124-V128 PolarHBondContact O-N 3.42Å; T125-V128 PolarHBondContact O-N 3.36Å; V128-Q130 VanDerWaalsContact C-N 3.27Å; V128-Q130 PolarHBondContact O-N 2.79Å; V128-W131 HydrophobicContact CB-CE3 4.25Å; V128-W131 HydrophobicContact CG1-CE3 4.49Å; V128-W131 HydrophobicContact CG2-CE3 3.85Å; V128-W131 HydrophobicContact CG2-CZ3 3.73Å; V128-W131 WeakPolarHBondContact O-CB 3.27Å; V128-W131 PolarHBondContact O-N 3.4Å; V128-F132 HydrophobicContact CG1-CD2 4.06Å; V128-F132 HydrophobicContact CG1-CE2 3.68Å; V128-F132 VanDerWaalsContact O-CD2 3.27Å; V128-F132 WeakPolarHBondContact O-CD2 3.32Å; V128-F132 PolarHBondContact O-N 3.23Å; V128-F132 VanDerWaalsContact O-N 3.15Å; V128-L137 HydrophobicContact CG1-CD1 4.4Å
129E92.9Very high91.6Very high81 Ų8163.7 Ų63.738%0.37931%0.306SS..Hα-helixtrans-57-39.6172.1-80.3-176.1-157.800112.4T125 Y126 I127 W131 F132 R133T125-E129 WeakPolarHBondContact O-CB 3.45Å; T125-E129 WeakPolarHBondContact O-CG 3.39Å; T125-E129 PolarHBondContact O-N 2.83Å; Y126-E129 WeakPolarHBondContact O-CB 3.26Å; Y126-E129 PolarHBondContact O-N 3.4Å; I127-E129 VanDerWaalsContact C-N 3.35Å; I127-E129 PolarHBondContact O-N 3.37Å; E129-W131 VanDerWaalsContact C-N 3.32Å; E129-F132 PolarHBondContact O-N 2.92Å; E129-R133 WeakPolarHBondContact O-CG 3.18Å; E129-R133 PolarHBondContact O-N 3.11Å; E129-R133 IonicContact OE2-CZ 3.87Å; E129-R133 IonicContact OE2-NH2 2.93Å; E129-R133 PolarHBondContact OE2-NH2 2.71Å
130Q91Very high91.7Very high36 Ų3664 Ų6417%0.16831%0.309CS..Hα-helixtrans-64.9-36.6175-66.7-44.7-57.700111.8Y126 I127 V128 F132 R133 Q134Y126-Q130 HydrophobicContact CD1-CG 4.26Å; Y126-Q130 HydrophobicContact CE1-CG 3.81Å; Y126-Q130 HydrophobicContact CE2-CG 4.42Å; Y126-Q130 VanDerWaalsContact CE2-NE2 3.28Å; Y126-Q130 WeakPolarHBondContact O-CG 3.37Å; Y126-Q130 PolarHBondContact O-N 2.82Å; I127-Q130 WeakPolarHBondContact O-CA 2.95Å; I127-Q130 WeakPolarHBondContact O-CB 3.18Å; I127-Q130 PolarHBondContact O-N 3.31Å; V128-Q130 VanDerWaalsContact C-N 3.27Å; V128-Q130 PolarHBondContact O-N 2.79Å; Q130-F132 VanDerWaalsContact C-N 3.32Å; Q130-F132 PolarHBondContact O-N 2.84Å; Q130-R133 PolarHBondContact O-N 2.69Å; Q130-Q134 WeakPolarHBondContact O-CB 3.46Å; Q130-Q134 WeakPolarHBondContact O-CG 3.08Å; Q130-Q134 PolarHBondContact O-N 2.91Å
131W93.1Very high91.8Very high13 Ų1362.2 Ų62.25%0.04931%0.311CS..Hα-helixtrans-61.7-39.7175.1-65.1-23.4000112.4E88 L91 F92 I95 I127 V128 E129 G135 W136 L137E88-W131 HydrophobicContact CG-CH2 4.46Å; E88-W131 HydrophobicContact CG-CZ2 3.57Å; E88-W131 PolarHBondContact OE1-NE1 3.25Å; L91-W131 HydrophobicContact CB-CH2 4.24Å; L91-W131 HydrophobicContact CD2-CH2 4.03Å; L91-W131 HydrophobicContact CD2-CZ3 4.26Å; L91-W131 HydrophobicContact CG-CH2 4.11Å; L91-W131 HydrophobicContact CG-CZ3 4.4Å; F92-W131 HydrophobicContact CB-CH2 3.69Å; F92-W131 HydrophobicContact CB-CZ2 3.68Å; F92-W131 HydrophobicContact CB-CZ3 4.37Å; F92-W131 HydrophobicContact CD2-CD2 4.15Å; F92-W131 HydrophobicContact CD2-CE3 4.23Å; F92-W131 HydrophobicContact CD2-CH2 4.38Å; F92-W131 HydrophobicContact CD2-CZ2 4.29Å; F92-W131 HydrophobicContact CD2-CZ3 4.37Å; F92-W131 HydrophobicContact CG-CZ2 4.38Å; I95-W131 HydrophobicContact CD1-CE3 4.13Å; I95-W131 HydrophobicContact CD1-CH2 4.5Å; I95-W131 HydrophobicContact CD1-CZ3 3.54Å; I127-W131 HydrophobicContact CG2-CD2 4.33Å; I127-W131 HydrophobicContact CG2-CH2 4.07Å; I127-W131 HydrophobicContact CG2-CZ2 3.62Å; I127-W131 PolarHBondContact O-N 3.14Å; V128-W131 HydrophobicContact CB-CE3 4.25Å; V128-W131 HydrophobicContact CG1-CE3 4.49Å; V128-W131 HydrophobicContact CG2-CE3 3.85Å; V128-W131 HydrophobicContact CG2-CZ3 3.73Å; V128-W131 WeakPolarHBondContact O-CB 3.27Å; V128-W131 PolarHBondContact O-N 3.4Å; E129-W131 VanDerWaalsContact C-N 3.32Å; W131-G135 PolarHBondContact O-N 3.33Å; W131-G135 VanDerWaalsContact O-N 3.15Å; W131-W136 HydrophobicContact CB-CB 3.92Å; W131-W136 HydrophobicContact CG-CB 4.39Å; W131-W136 WeakPolarHBondContact O-CB 3.37Å; W131-W136 PolarHBondContact O-N 2.9Å; W131-L137 HydrophobicContact CB-CD1 4.16Å; W131-L137 HydrophobicContact CB-CG 4.13Å; W131-L137 HydrophobicContact CE3-CD1 4Å; W131-L137 PolarHBondContact O-N 3.21Å
132F93.7Very high91.9Very high64 Ų6465.9 Ų65.928%0.28133%0.331SS..Hα-helixtrans-65.2-50.2171.4-74.3-75.8000112.2L112 V128 E129 Q130 Q134 G135 L137 C139 V146L112-F132 HydrophobicContact CD2-CE2 3.91Å; L112-F132 HydrophobicContact CD2-CZ 3.84Å; V128-F132 HydrophobicContact CG1-CD2 4.06Å; V128-F132 HydrophobicContact CG1-CE2 3.68Å; V128-F132 VanDerWaalsContact O-CD2 3.27Å; V128-F132 WeakPolarHBondContact O-CD2 3.32Å; V128-F132 PolarHBondContact O-N 3.23Å; V128-F132 VanDerWaalsContact O-N 3.15Å; E129-F132 PolarHBondContact O-N 2.92Å; Q130-F132 VanDerWaalsContact C-N 3.32Å; Q130-F132 PolarHBondContact O-N 2.84Å; F132-Q134 PolarHBondContact O-N 2.84Å; F132-G135 PolarHBondContact O-N 2.88Å; F132-G135 VanDerWaalsContact O-N 3.08Å; F132-L137 HydrophobicContact CD1-CB 3.77Å; F132-L137 HydrophobicContact CD2-CB 4.44Å; F132-L137 HydrophobicContact CE1-CB 3.67Å; F132-L137 HydrophobicContact CE2-CB 4.34Å; F132-L137 HydrophobicContact CE2-CD1 4.18Å; F132-L137 HydrophobicContact CG-CB 4.16Å; F132-L137 HydrophobicContact CZ-CB 3.97Å; F132-L137 HydrophobicContact CZ-CD1 4.23Å; F132-C139 HydrophobicContact CE1-CB 4.18Å; F132-V146 HydrophobicContact CE1-CG1 3.9Å; F132-V146 HydrophobicContact CE1-CG2 4.24Å; F132-V146 HydrophobicContact CZ-CB 4.43Å; F132-V146 HydrophobicContact CZ-CG1 3.7Å; F132-V146 HydrophobicContact CZ-CG2 3.81Å
133R90.6Very high92.1Very high171 Ų17162.7 Ų62.765%0.64532%0.316SS*.Hα-helixtrans-60.1-32.2-178.9-71178.4-164.1-17010112.7E129 Q130E129-R133 WeakPolarHBondContact O-CG 3.18Å; E129-R133 PolarHBondContact O-N 3.11Å; E129-R133 IonicContact OE2-CZ 3.87Å; E129-R133 IonicContact OE2-NH2 2.93Å; E129-R133 PolarHBondContact OE2-NH2 2.71Å; Q130-R133 PolarHBondContact O-N 2.69Å
134Q89.3Confident92.4Very high58 Ų5861.8 Ų61.827%0.27131%0.31SS..THydrogen-bonded Turntrans-941.6-178.6-63.7-178.424.700113.8Q130 F132 R151Q130-Q134 WeakPolarHBondContact O-CB 3.46Å; Q130-Q134 WeakPolarHBondContact O-CG 3.08Å; Q130-Q134 PolarHBondContact O-N 2.91Å; F132-Q134 PolarHBondContact O-N 2.84Å; Q134-R151 WeakPolarHBondContact O-CD 3.48Å; Q134-R151 PolarHBondContact O-NH1 3.47Å; Q134-R151 VanDerWaalsContact OE1-NH1 3.17Å
135G91.4Very high92.6Very high18 Ų1862.4 Ų62.419%0.18631%0.314CS..THydrogen-bonded Turntrans79.313.7173.800000115.7W131 F132 G149 R151W131-G135 PolarHBondContact O-N 3.33Å; W131-G135 VanDerWaalsContact O-N 3.15Å; F132-G135 PolarHBondContact O-N 2.88Å; F132-G135 VanDerWaalsContact O-N 3.08Å; G135-G149 CarbonylContact O-C 2.98Å; G135-G149 WeakPolarHBondContact O-CA 3.2Å; G135-R151 VanDerWaalsContact O-CB 3.25Å; G135-R151 WeakPolarHBondContact O-CB 3.32Å
136W93.6Very high92.8Very high36 Ų3659.1 Ų59.114%0.13629%0.294CS..SBendtrans-70.6-45.4171.6-73.1102.2000111.3F92 W131 G149 R151 A152 E155 I156F92-W136 HydrophobicContact CE1-CE3 4.15Å; F92-W136 HydrophobicContact CE1-CZ3 4.25Å; F92-W136 HydrophobicContact CE2-CB 4.25Å; F92-W136 HydrophobicContact CE2-CE3 4.16Å; F92-W136 HydrophobicContact CZ-CD2 4.48Å; F92-W136 AromaticContact CZ-CE3 3.59Å; F92-W136 HydrophobicContact CZ-CE3 3.59Å; F92-W136 HydrophobicContact CZ-CZ3 4.13Å; W131-W136 HydrophobicContact CB-CB 3.92Å; W131-W136 HydrophobicContact CG-CB 4.39Å; W131-W136 WeakPolarHBondContact O-CB 3.37Å; W131-W136 PolarHBondContact O-N 2.9Å; W136-G149 PolarHBondContact O-N 3.2Å; W136-R151 VanDerWaalsContact CE2-CZ 3.49Å; W136-A152 HydrophobicContact CE3-CB 3.71Å; W136-A152 HydrophobicContact CZ3-CB 4.31Å; W136-A152 VanDerWaalsContact O-CB 3.25Å; W136-A152 WeakPolarHBondContact O-CB 3.45Å; W136-E155 HydrophobicContact CH2-CB 3.68Å; W136-E155 VanDerWaalsContact CH2-CD 3.5Å; W136-E155 HydrophobicContact CH2-CG 4.1Å; W136-E155 WeakPolarHBondContact CH2-OE2 3.4Å; W136-E155 WeakPolarHBondContact CZ2-OE2 3.26Å; W136-E155 HydrophobicContact CZ3-CB 3.96Å; W136-I156 HydrophobicContact CZ3-CG2 4.46Å
137L95.5Very high93Very high2 Ų253.4 Ų53.41%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-111.3157172.8-63.4179000109.5F92 I95 I99 V128 W131 F132 V146 L148F92-L137 HydrophobicContact CE2-CD2 4.45Å; I95-L137 HydrophobicContact CD1-CD1 4.36Å; I95-L137 HydrophobicContact CG2-CD2 4.12Å; I99-L137 HydrophobicContact CD1-CD2 4.31Å; V128-L137 HydrophobicContact CG1-CD1 4.4Å; W131-L137 HydrophobicContact CB-CD1 4.16Å; W131-L137 HydrophobicContact CB-CG 4.13Å; W131-L137 HydrophobicContact CE3-CD1 4Å; W131-L137 PolarHBondContact O-N 3.21Å; F132-L137 HydrophobicContact CD1-CB 3.77Å; F132-L137 HydrophobicContact CD2-CB 4.44Å; F132-L137 HydrophobicContact CE1-CB 3.67Å; F132-L137 HydrophobicContact CE2-CB 4.34Å; F132-L137 HydrophobicContact CE2-CD1 4.18Å; F132-L137 HydrophobicContact CG-CB 4.16Å; F132-L137 HydrophobicContact CZ-CB 3.97Å; F132-L137 HydrophobicContact CZ-CD1 4.23Å; L137-V146 HydrophobicContact CB-CG1 4.31Å; L137-V146 HydrophobicContact CD1-CG1 4.49Å; L137-V146 HydrophobicContact CD2-CG1 4.4Å; L137-L148 HydrophobicContact CD2-CD2 4.09Å
138T95.3Very high93.2Very high26 Ų2652.3 Ų52.316%0.1627%0.269CS..EExtended strand (participates in β ladder)trans-144.9150.4177.4-164.20000110.2R60 V146 S147R60-T138 PolarHBondContact NH1-OG1 3.45Å; R60-T138 PolarHBondContact NH2-OG1 3.08Å; T138-V146 CarbonylContact O-C 3.59Å; T138-V146 WeakPolarHBondContact O-CA 3.46Å; T138-S147 PolarHBondContact N-O 3.33Å; T138-S147 PolarHBondContact O-N 2.87Å
139C94.3Very high93.3Very high44 Ų4452.3 Ų52.330%0.29727%0.269SS..EExtended strand (participates in β ladder)trans-114.8151.9178.8-149.30000109.5F132 G143 V145F132-C139 HydrophobicContact CE1-CB 4.18Å; C139-G143 WeakPolarHBondContact SG-CA 3.43Å; C139-G143 PolarHBondContact SG-O 3.43Å; C139-G143 VanDerWaalsContact SG-O 3.37Å; C139-V145 WeakPolarHBondContact CA-O 3.39Å; C139-V145 PolarHBondContact SG-O 3.46Å
140S91.9Very high93.4Very high39 Ų3948.8 Ų48.827%0.27325%0.253SS..  trans-59.4162.116538.80000111.5D142 G143 L144 V145S140-D142 WeakPolarHBondContact CB-OD1 3.36Å; S140-D142 PolarHBondContact O-N 2.88Å; S140-D142 PolarHBondContact OG-OD1 2.85Å; S140-G143 PolarHBondContact O-N 3.35Å; S140-L144 PolarHBondContact OG-N 2.92Å; S140-V145 PolarHBondContact N-O 2.72Å; S140-V145 WeakPolarHBondContact OG-CG2 3.32Å; S140-V145 PolarHBondContact OG-N 3.22Å; S140-V145 PolarHBondContact OG-O 2.64Å
141E88.8Confident93.5Very high212 Ų21247.7 Ų47.799%0.99125%0.248SC*.THydrogen-bonded Turntrans-60.7-32.9-179.4-64.3-173.416500112.9G143E141-G143 VanDerWaalsContact C-N 3.27Å; E141-G143 PolarHBondContact O-N 2.94Å
142D90.7Very high93.4Very high108 Ų10847.1 Ų47.158%0.57825%0.245SC*.THydrogen-bonded Turntrans-79.6-7.3175.964.111.1000113.5S140 L144S140-D142 WeakPolarHBondContact CB-OD1 3.36Å; S140-D142 PolarHBondContact O-N 2.88Å; S140-D142 PolarHBondContact OG-OD1 2.85Å; D142-L144 VanDerWaalsContact C-N 3.26Å; D142-L144 HydrophobicContact CB-CD1 4.37Å; D142-L144 HydrophobicContact CB-CG 4.18Å; D142-L144 PolarHBondContact O-N 3.09Å; D142-L144 WeakPolarHBondContact OD1-CB 3.26Å; D142-L144 PolarHBondContact OD1-N 2.77Å
143G92Very high93.5Very high33 Ų3344.3 Ų44.334%0.3423%0.233SC..SBendtrans75.37.6-18000000114.9T109 C139 S140 E141T109-G143 PolarHBondContact OG1-O 3.15Å; C139-G143 WeakPolarHBondContact SG-CA 3.43Å; C139-G143 PolarHBondContact SG-O 3.43Å; C139-G143 VanDerWaalsContact SG-O 3.37Å; S140-G143 PolarHBondContact O-N 3.35Å; E141-G143 VanDerWaalsContact C-N 3.27Å; E141-G143 PolarHBondContact O-N 2.94Å
144L95Very high93.6Very high107 Ų10736.6 Ų36.656%0.5621%0.206SC*.  trans-90.5-34-169.3-62.7-177.6000113.6T109 S140 D142T109-L144 WeakPolarHBondContact CB-O 3.37Å; T109-L144 PolarHBondContact N-O 2.83Å; T109-L144 PolarHBondContact OG1-O 3.01Å; T109-L144 VanDerWaalsContact OG1-O 3.11Å; S140-L144 PolarHBondContact OG-N 2.92Å; D142-L144 VanDerWaalsContact C-N 3.26Å; D142-L144 HydrophobicContact CB-CD1 4.37Å; D142-L144 HydrophobicContact CB-CG 4.18Å; D142-L144 PolarHBondContact O-N 3.09Å; D142-L144 WeakPolarHBondContact OD1-CB 3.26Å; D142-L144 PolarHBondContact OD1-N 2.77Å
145V96.2Very high93.5Very high29 Ų2936.8 Ų36.818%0.17621%0.207CC..EExtended strand (participates in β ladder)trans-119.5136.5-179.1-620000112.5R106 V107 C139 S140R106-V145 HydrophobicContact CB-CB 4.44Å; R106-V145 HydrophobicContact CG-CB 4.46Å; V107-V145 CarbonylContact O-C 3.58Å; V107-V145 WeakPolarHBondContact O-CA 3.37Å; C139-V145 WeakPolarHBondContact CA-O 3.39Å; C139-V145 PolarHBondContact SG-O 3.46Å; S140-V145 PolarHBondContact N-O 2.72Å; S140-V145 WeakPolarHBondContact OG-CG2 3.32Å; S140-V145 PolarHBondContact OG-N 3.22Å; S140-V145 PolarHBondContact OG-O 2.64Å
146V96.8Very high93.4Very high1 Ų136.7 Ų36.71%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-108.6139.3-179.2179.90000110.2R106 V107 L112 F132 L137 T138R106-V146 CarbonylContact C-O 3.59Å; R106-V146 WeakPolarHBondContact CA-O 3.39Å; R106-V146 WeakPolarHBondContact CB-O 3.36Å; V107-V146 HydrophobicContact CG2-CB 4.13Å; V107-V146 PolarHBondContact N-O 2.85Å; V107-V146 PolarHBondContact O-N 3.24Å; L112-V146 HydrophobicContact CD2-CB 4.48Å; L112-V146 HydrophobicContact CD2-CG1 4.2Å; L112-V146 HydrophobicContact CD2-CG2 3.95Å; F132-V146 HydrophobicContact CE1-CG1 3.9Å; F132-V146 HydrophobicContact CE1-CG2 4.24Å; F132-V146 HydrophobicContact CZ-CB 4.43Å; F132-V146 HydrophobicContact CZ-CG1 3.7Å; F132-V146 HydrophobicContact CZ-CG2 3.81Å; L137-V146 HydrophobicContact CB-CG1 4.31Å; L137-V146 HydrophobicContact CD1-CG1 4.49Å; L137-V146 HydrophobicContact CD2-CG1 4.4Å; T138-V146 CarbonylContact O-C 3.59Å; T138-V146 WeakPolarHBondContact O-CA 3.46Å
147S96.9Very high93.3Very high17 Ų1736.3 Ų36.312%0.11920%0.202CC..EExtended strand (participates in β ladder)trans-134.2170177.6173.20000110.2R105 T138 F177R105-S147 PolarHBondContact O-OG 3.38Å; T138-S147 PolarHBondContact N-O 3.33Å; T138-S147 PolarHBondContact O-N 2.87Å; S147-F177 WeakPolarHBondContact OG-CE1 3.45Å
148L96.1Very high93Very high2 Ų240.3 Ų40.31%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-65.3135.7163.9-60.5-174.4000109.6V96 I99 L137 A152 L153 L160 F177V96-L148 HydrophobicContact CG1-CD1 4.39Å; V96-L148 HydrophobicContact CG2-CD2 3.91Å; I99-L148 HydrophobicContact CD1-CD2 3.84Å; I99-L148 HydrophobicContact CD1-CG 4.22Å; I99-L148 HydrophobicContact CG2-CG 4.2Å; L137-L148 HydrophobicContact CD2-CD2 4.09Å; L148-A152 HydrophobicContact CB-CB 4.22Å; L148-A152 HydrophobicContact CD2-CB 4.31Å; L148-L153 HydrophobicContact CB-CD2 3.9Å; L148-L153 HydrophobicContact CB-CG 4.33Å; L148-L153 HydrophobicContact CD1-CD2 3.95Å; L148-L160 HydrophobicContact CD1-CD1 4.19Å; L148-L160 HydrophobicContact CD1-CD2 4.21Å; L148-F177 HydrophobicContact CB-CE2 4.16Å; L148-F177 HydrophobicContact CB-CZ 3.95Å; L148-F177 HydrophobicContact CD1-CE2 3.78Å; L148-F177 HydrophobicContact CD1-CZ 4.29Å; L148-F177 HydrophobicContact CG-CE2 4.08Å; L148-F177 HydrophobicContact CG-CZ 4.07Å
149G94.9Very high92.8Very high2 Ų242.1 Ų42.12%0.02124%0.235CC..  trans-82.7160169.600000111.1G135 W136 R151 A152 L153G135-G149 CarbonylContact O-C 2.98Å; G135-G149 WeakPolarHBondContact O-CA 3.2Å; W136-G149 PolarHBondContact O-N 3.2Å; G149-R151 PolarHBondContact O-N 3.26Å; G149-A152 WeakPolarHBondContact O-CB 3.44Å; G149-A152 PolarHBondContact O-N 2.96Å; G149-L153 PolarHBondContact O-N 2.83Å; G149-L153 VanDerWaalsContact O-N 3.16Å
150V94.6Very high92.7Very high6 Ų640 Ų404%0.03622%0.221CC..Hα-helixtrans-52.7-26.6-179.370.30000113.5V6 R56 D58 K65 L67 A154V6-V150 HydrophobicContact CG1-CG1 3.77Å; V6-V150 HydrophobicContact CG2-CG1 4.49Å; R56-V150 HydrophobicContact CB-CG2 3.99Å; D58-V150 HydrophobicContact CB-CB 4.2Å; D58-V150 HydrophobicContact CB-CG2 4.28Å; K65-V150 HydrophobicContact CB-CG1 4.16Å; K65-V150 HydrophobicContact CG-CG1 4.1Å; L67-V150 HydrophobicContact CD1-CG2 4.25Å; L67-V150 HydrophobicContact CD2-CG1 4.31Å; V150-A154 WeakPolarHBondContact O-CB 3.26Å; V150-A154 PolarHBondContact O-N 3.02Å
151R92.6Very high92.7Very high14 Ų1440.5 Ų40.55%0.05322%0.22CC..Hα-helixtrans-70-48176.4-171.9-176.1169.7-161.5-9.9112.9V6 L67 Q134 G135 W136 G149 L153 A154 E155V6-R151 HydrophobicContact CG2-CB 3.83Å; V6-R151 HydrophobicContact CG2-CG 4.45Å; L67-R151 VanDerWaalsContact CD2-CA 3.48Å; L67-R151 HydrophobicContact CD2-CB 3.58Å; L67-R151 HydrophobicContact CD2-CG 3.75Å; Q134-R151 WeakPolarHBondContact O-CD 3.48Å; Q134-R151 PolarHBondContact O-NH1 3.47Å; Q134-R151 VanDerWaalsContact OE1-NH1 3.17Å; G135-R151 VanDerWaalsContact O-CB 3.25Å; G135-R151 WeakPolarHBondContact O-CB 3.32Å; W136-R151 VanDerWaalsContact CE2-CZ 3.49Å; G149-R151 PolarHBondContact O-N 3.26Å; R151-L153 VanDerWaalsContact C-N 3.25Å; R151-L153 PolarHBondContact O-N 3.43Å; R151-A154 PolarHBondContact O-N 2.75Å; R151-A154 VanDerWaalsContact O-N 3.14Å; R151-E155 HydrophobicContact CG-CG 4.38Å; R151-E155 IonicContact CZ-OE1 3.7Å; R151-E155 IonicContact NE-OE1 3.56Å; R151-E155 PolarHBondContact NE-OE1 3.28Å; R151-E155 IonicContact NH2-OE1 2.76Å; R151-E155 PolarHBondContact NH2-OE1 3.42Å; R151-E155 IonicContact NH2-OE2 2.93Å; R151-E155 PolarHBondContact O-N 3.45Å
152A92.4Very high92.8Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-56.6-47.8174.200000109.7F92 W136 L148 G149 A154 E155 I156F92-A152 HydrophobicContact CZ-CB 4.14Å; W136-A152 HydrophobicContact CE3-CB 3.71Å; W136-A152 HydrophobicContact CZ3-CB 4.31Å; W136-A152 VanDerWaalsContact O-CB 3.25Å; W136-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 HydrophobicContact CB-CB 4.22Å; L148-A152 HydrophobicContact CD2-CB 4.31Å; G149-A152 WeakPolarHBondContact O-CB 3.44Å; G149-A152 PolarHBondContact O-N 2.96Å; A152-A154 PolarHBondContact O-N 3.44Å; A152-E155 PolarHBondContact O-N 3.45Å; A152-I156 WeakPolarHBondContact O-CG1 3.24Å; A152-I156 PolarHBondContact O-N 3.11Å
153L94.3Very high93Very high6 Ų635.2 Ų35.23%0.03120%0.195CC..Hα-helixtrans-54.9-38.8177.6-61.9-176.4000112.9L148 G149 R151 E157 L160 F174 I175 F177L148-L153 HydrophobicContact CB-CD2 3.9Å; L148-L153 HydrophobicContact CB-CG 4.33Å; L148-L153 HydrophobicContact CD1-CD2 3.95Å; G149-L153 PolarHBondContact O-N 2.83Å; G149-L153 VanDerWaalsContact O-N 3.16Å; R151-L153 VanDerWaalsContact C-N 3.25Å; R151-L153 PolarHBondContact O-N 3.43Å; L153-E157 WeakPolarHBondContact O-CA 3.34Å; L153-E157 VanDerWaalsContact O-CB 3.31Å; L153-E157 WeakPolarHBondContact O-CB 3.44Å; L153-E157 PolarHBondContact O-N 2.98Å; L153-L160 HydrophobicContact CD2-CD1 3.84Å; L153-F174 HydrophobicContact CB-CE1 4.46Å; L153-F174 HydrophobicContact CB-CZ 3.75Å; L153-I175 HydrophobicContact CB-CD1 3.89Å; L153-I175 HydrophobicContact CB-CG1 4.46Å; L153-I175 HydrophobicContact CD2-CD1 3.79Å; L153-I175 HydrophobicContact CG-CD1 4.33Å; L153-F177 HydrophobicContact CD1-CB 3.81Å; L153-F177 HydrophobicContact CD1-CD1 4.29Å; L153-F177 HydrophobicContact CD1-CG 3.96Å; L153-F177 HydrophobicContact CD2-CB 4Å; L153-F177 HydrophobicContact CD2-CD1 4.42Å; L153-F177 HydrophobicContact CD2-CD2 3.38Å; L153-F177 HydrophobicContact CD2-CE2 3.9Å; L153-F177 HydrophobicContact CD2-CG 3.67Å; L153-F177 HydrophobicContact CG-CG 4.48Å
154A92.5Very high93.1Very high8 Ų835.7 Ų35.77%0.06619%0.186CC..Hα-helixtrans-78-38.9178.900000114R56 L67 I69 V150 R151 A152 F174R56-A154 HydrophobicContact CG-CB 4.14Å; L67-A154 HydrophobicContact CD1-CB 3.94Å; I69-A154 HydrophobicContact CG2-CB 4.49Å; V150-A154 WeakPolarHBondContact O-CB 3.26Å; V150-A154 PolarHBondContact O-N 3.02Å; R151-A154 PolarHBondContact O-N 2.75Å; R151-A154 VanDerWaalsContact O-N 3.14Å; A152-A154 PolarHBondContact O-N 3.44Å; A154-F174 HydrophobicContact CB-CE2 4.36Å; A154-F174 HydrophobicContact CB-CZ 4.35Å
155E88.7Confident93.1Very high63 Ų6338.1 Ų38.129%0.29420%0.195SC..Hα-helixtrans-81.9-35.3-175.1-72.8-163.9-143.600113.3I69 W136 R151 A152I69-E155 HydrophobicContact CB-CG 3.94Å; I69-E155 HydrophobicContact CG2-CG 3.51Å; W136-E155 HydrophobicContact CH2-CB 3.68Å; W136-E155 VanDerWaalsContact CH2-CD 3.5Å; W136-E155 HydrophobicContact CH2-CG 4.1Å; W136-E155 WeakPolarHBondContact CH2-OE2 3.4Å; W136-E155 WeakPolarHBondContact CZ2-OE2 3.26Å; W136-E155 HydrophobicContact CZ3-CB 3.96Å; R151-E155 HydrophobicContact CG-CG 4.38Å; R151-E155 IonicContact CZ-OE1 3.7Å; R151-E155 IonicContact NE-OE1 3.56Å; R151-E155 PolarHBondContact NE-OE1 3.28Å; R151-E155 IonicContact NH2-OE1 2.76Å; R151-E155 PolarHBondContact NH2-OE1 3.42Å; R151-E155 IonicContact NH2-OE2 2.93Å; R151-E155 PolarHBondContact O-N 3.45Å; A152-E155 PolarHBondContact O-N 3.45Å
156I89.6Confident93Very high15 Ų1537.1 Ų37.18%0.07719%0.188CC..SBendtrans-107.323.3178.561.4156.6000112.5F92 Y93 V96 W136 A152 S158 F159 L160F92-I156 HydrophobicContact CE1-CD1 4.15Å; Y93-I156 HydrophobicContact CE1-CD1 4.45Å; V96-I156 HydrophobicContact CG1-CD1 4.19Å; V96-I156 HydrophobicContact CG2-CD1 4.02Å; W136-I156 HydrophobicContact CZ3-CG2 4.46Å; A152-I156 WeakPolarHBondContact O-CG1 3.24Å; A152-I156 PolarHBondContact O-N 3.11Å; I156-S158 PolarHBondContact O-N 2.64Å; I156-F159 HydrophobicContact CB-CB 4.36Å; I156-F159 HydrophobicContact CD1-CD1 4.25Å; I156-F159 WeakPolarHBondContact O-CB 3.31Å; I156-F159 PolarHBondContact O-N 3.24Å; I156-F159 VanDerWaalsContact O-N 3.14Å; I156-L160 HydrophobicContact CD1-CD1 4.13Å; I156-L160 HydrophobicContact CD1-CD2 3.96Å; I156-L160 HydrophobicContact CD1-CG 3.94Å; I156-L160 HydrophobicContact CG1-CD1 4.02Å; I156-L160 HydrophobicContact CG1-CG 4.09Å; I156-L160 WeakPolarHBondContact O-CG 3.41Å; I156-L160 PolarHBondContact O-N 3.23Å
157E90.7Very high93Very high29 Ų2939.8 Ų39.814%0.13621%0.205CC..Hα-helixtrans-48.6-55.4-178.1-177.8168-159.100112.5R56 L153 F159 L160 I161 F174 I175R56-E157 IonicContact NH2-OE2 3.88Å; L153-E157 WeakPolarHBondContact O-CA 3.34Å; L153-E157 VanDerWaalsContact O-CB 3.31Å; L153-E157 WeakPolarHBondContact O-CB 3.44Å; L153-E157 PolarHBondContact O-N 2.98Å; E157-F159 VanDerWaalsContact C-N 3.31Å; E157-F159 PolarHBondContact O-N 3.32Å; E157-L160 PolarHBondContact O-N 3.32Å; E157-L160 VanDerWaalsContact O-N 3.09Å; E157-I161 HydrophobicContact CG-CD1 3.92Å; E157-I161 WeakPolarHBondContact O-CG1 3.26Å; E157-I161 PolarHBondContact O-N 3.41Å; E157-F174 VanDerWaalsContact OE1-CD2 3.24Å; E157-F174 WeakPolarHBondContact OE1-CD2 3.43Å; E157-I175 HydrophobicContact CG-CG1 4.45Å; E157-I175 HydrophobicContact CG-CG2 3.67Å; E157-I175 PolarHBondContact OE1-N 3.39Å
158S89Confident92.9Very high86 Ų8641.7 Ų41.760%0.60122%0.216SC*.Hα-helixtrans-60.1-41.4-178.6-53.90000112.1I156 L160 I161 D162I156-S158 PolarHBondContact O-N 2.64Å; S158-L160 VanDerWaalsContact C-N 3.33Å; S158-L160 PolarHBondContact O-N 2.66Å; S158-I161 PolarHBondContact O-N 3.23Å; S158-D162 VanDerWaalsContact O-CB 3.31Å; S158-D162 WeakPolarHBondContact O-CB 3.24Å; S158-D162 PolarHBondContact O-N 3.35Å
159F90.3Very high92.9Very high63 Ų6341.6 Ų41.628%0.27622%0.216SC..Hα-helixtrans-61.7-42.2175.7168.9-92.9000111.8Y93 V96 I156 E157 D162 K163 Y164Y93-F159 HydrophobicContact CD1-CD1 4.27Å; Y93-F159 AromaticContact CD1-CE1 3.55Å; Y93-F159 HydrophobicContact CD1-CE1 3.55Å; Y93-F159 HydrophobicContact CD1-CE2 4.18Å; Y93-F159 AromaticContact CD1-CZ 3.48Å; Y93-F159 HydrophobicContact CD1-CZ 3.48Å; Y93-F159 VanDerWaalsContact CD1-CZ 3.48Å; Y93-F159 AromaticContact CE1-CD1 3.7Å; Y93-F159 HydrophobicContact CE1-CD1 3.7Å; Y93-F159 HydrophobicContact CE1-CD2 4.18Å; Y93-F159 AromaticContact CE1-CE1 3.46Å; Y93-F159 HydrophobicContact CE1-CE1 3.46Å; Y93-F159 VanDerWaalsContact CE1-CE1 3.46Å; Y93-F159 AromaticContact CE1-CE2 3.96Å; Y93-F159 HydrophobicContact CE1-CE2 3.96Å; Y93-F159 HydrophobicContact CE1-CG 4.04Å; Y93-F159 AromaticContact CE1-CZ 3.58Å; Y93-F159 HydrophobicContact CE1-CZ 3.58Å; V96-F159 HydrophobicContact CG1-CE1 4.12Å; I156-F159 HydrophobicContact CB-CB 4.36Å; I156-F159 HydrophobicContact CD1-CD1 4.25Å; I156-F159 WeakPolarHBondContact O-CB 3.31Å; I156-F159 PolarHBondContact O-N 3.24Å; I156-F159 VanDerWaalsContact O-N 3.14Å; E157-F159 VanDerWaalsContact C-N 3.31Å; E157-F159 PolarHBondContact O-N 3.32Å; F159-D162 PolarHBondContact O-N 3.14Å; F159-K163 HydrophobicContact CE1-CD 3.99Å; F159-K163 HydrophobicContact CE2-CB 4.4Å; F159-K163 HydrophobicContact CE2-CD 3.61Å; F159-K163 HydrophobicContact CZ-CB 4.45Å; F159-K163 HydrophobicContact CZ-CD 3.27Å; F159-K163 HydrophobicContact CZ-CG 4.47Å; F159-K163 WeakPolarHBondContact O-CB 3.37Å; F159-K163 PolarHBondContact O-N 3.33Å; F159-Y164 HydrophobicContact CD1-CE2 4.46Å; F159-Y164 AromaticContact CE1-CE2 3.82Å; F159-Y164 HydrophobicContact CE1-CE2 3.82Å; F159-Y164 HydrophobicContact CZ-CE2 4.45Å
160L92.2Very high92.9Very high0 Ų042.9 Ų42.90%023%0.227CC..Hα-helixtrans-66.8-39.9180-66.3172.4000112V96 M100 L148 L153 I156 E157 S158 Y164 L166 I175V96-L160 HydrophobicContact CG1-CD2 3.8Å; M100-L160 HydrophobicContact CE-CD2 4.4Å; M100-L160 HydrophobicContact CG-CD2 4.26Å; M100-L160 HydrophobicContact SD-CD2 4.24Å; L148-L160 HydrophobicContact CD1-CD1 4.19Å; L148-L160 HydrophobicContact CD1-CD2 4.21Å; L153-L160 HydrophobicContact CD2-CD1 3.84Å; I156-L160 HydrophobicContact CD1-CD1 4.13Å; I156-L160 HydrophobicContact CD1-CD2 3.96Å; I156-L160 HydrophobicContact CD1-CG 3.94Å; I156-L160 HydrophobicContact CG1-CD1 4.02Å; I156-L160 HydrophobicContact CG1-CG 4.09Å; I156-L160 WeakPolarHBondContact O-CG 3.41Å; I156-L160 PolarHBondContact O-N 3.23Å; E157-L160 PolarHBondContact O-N 3.32Å; E157-L160 VanDerWaalsContact O-N 3.09Å; S158-L160 VanDerWaalsContact C-N 3.33Å; S158-L160 PolarHBondContact O-N 2.66Å; L160-Y164 HydrophobicContact CD2-CD2 3.96Å; L160-Y164 HydrophobicContact CD2-CE2 3.89Å; L160-Y164 WeakPolarHBondContact O-CB 3.23Å; L160-Y164 PolarHBondContact O-N 3.12Å; L160-Y164 VanDerWaalsContact O-N 3.09Å; L160-L166 HydrophobicContact CB-CD1 3.97Å; L160-I175 HydrophobicContact CB-CD1 4.48Å; L160-I175 HydrophobicContact CD1-CD1 3.69Å
161I92.9Very high92.9Very high50 Ų5045.7 Ų45.726%0.25624%0.241SC..Hα-helixtrans-64.2-50.6174.2-66.1170000110.3E157 S158 H165 T168 I175E157-I161 HydrophobicContact CG-CD1 3.92Å; E157-I161 WeakPolarHBondContact O-CG1 3.26Å; E157-I161 PolarHBondContact O-N 3.41Å; S158-I161 PolarHBondContact O-N 3.23Å; I161-H165 WeakPolarHBondContact O-CA 3.24Å; I161-H165 PolarHBondContact O-N 3.04Å; I161-T168 HydrophobicContact CD1-CG2 3.71Å; I161-T168 HydrophobicContact CG1-CG2 4.42Å; I161-I175 HydrophobicContact CD1-CG2 3.58Å; I161-I175 HydrophobicContact CG1-CG2 3.39Å
162D91.7Very high93Very high118 Ų11847.3 Ų47.363%0.63125%0.254SS*.Hα-helixtrans-69.5-42.9-172.7-68.3-18.9000111.8S158 F159 H165S158-D162 VanDerWaalsContact O-CB 3.31Å; S158-D162 WeakPolarHBondContact O-CB 3.24Å; S158-D162 PolarHBondContact O-N 3.35Å; F159-D162 PolarHBondContact O-N 3.14Å; D162-H165 PolarHBondContact O-CE1 3.31Å
163K93.2Very high93.1Very high91 Ų9153.1 Ų53.140%0.39629%0.285SS..Hα-helixtrans-82.3-38.5-175.5-172.6175.7-179.4-171.30113.6D97 F159D97-K163 VanDerWaalsContact OD1-CE 3.3Å; D97-K163 WeakPolarHBondContact OD1-CE 3.34Å; D97-K163 IonicContact OD1-NZ 2.71Å; D97-K163 PolarHBondContact OD1-NZ 2.98Å; D97-K163 IonicContact OD2-NZ 2.8Å; D97-K163 PolarHBondContact OD2-NZ 3.46Å; F159-K163 HydrophobicContact CE1-CD 3.99Å; F159-K163 HydrophobicContact CE2-CB 4.4Å; F159-K163 HydrophobicContact CE2-CD 3.61Å; F159-K163 HydrophobicContact CZ-CB 4.45Å; F159-K163 HydrophobicContact CZ-CD 3.27Å; F159-K163 HydrophobicContact CZ-CG 4.47Å; F159-K163 WeakPolarHBondContact O-CB 3.37Å; F159-K163 PolarHBondContact O-N 3.33Å
164Y95Very high93.1Very high42 Ų4253 Ų5317%0.16528%0.284CS..Hα-helixtrans-114.95.1-174.1-50.7-79.7000113.9V96 D97 M100 F159 L160 L166V96-Y164 HydrophobicContact CG1-CE2 4.22Å; D97-Y164 WeakPolarHBondContact CA-OH 3.39Å; D97-Y164 PolarHBondContact OD1-OH 3.27Å; M100-Y164 HydrophobicContact CB-CD1 3.61Å; M100-Y164 HydrophobicContact CB-CD2 4.2Å; M100-Y164 HydrophobicContact CB-CE1 3.42Å; M100-Y164 VanDerWaalsContact CB-CE1 3.42Å; M100-Y164 HydrophobicContact CB-CE2 4.04Å; M100-Y164 HydrophobicContact CB-CG 3.99Å; M100-Y164 VanDerWaalsContact CE-CB 3.41Å; M100-Y164 HydrophobicContact CE-CD1 4.19Å; M100-Y164 HydrophobicContact CE-CD2 3.54Å; M100-Y164 HydrophobicContact CE-CE2 4.33Å; M100-Y164 HydrophobicContact CE-CG 3.45Å; M100-Y164 VanDerWaalsContact CE-CG 3.45Å; M100-Y164 HydrophobicContact CG-CD1 4.19Å; M100-Y164 HydrophobicContact CG-CD2 3.84Å; M100-Y164 HydrophobicContact CG-CE1 4.03Å; M100-Y164 HydrophobicContact CG-CE2 3.66Å; M100-Y164 HydrophobicContact CG-CG 4.09Å; M100-Y164 HydrophobicContact SD-CD2 4.48Å; F159-Y164 HydrophobicContact CD1-CE2 4.46Å; F159-Y164 AromaticContact CE1-CE2 3.82Å; F159-Y164 HydrophobicContact CE1-CE2 3.82Å; F159-Y164 HydrophobicContact CZ-CE2 4.45Å; L160-Y164 HydrophobicContact CD2-CD2 3.96Å; L160-Y164 HydrophobicContact CD2-CE2 3.89Å; L160-Y164 WeakPolarHBondContact O-CB 3.23Å; L160-Y164 PolarHBondContact O-N 3.12Å; L160-Y164 VanDerWaalsContact O-N 3.09Å; Y164-L166 PolarHBondContact O-N 3.26Å
165H95Very high93.3Very high159 Ų15952.6 Ų52.674%0.73628%0.281SS*.  trans55.238.5177.6-53.2-49.6000113I161 D162I161-H165 WeakPolarHBondContact O-CA 3.24Å; I161-H165 PolarHBondContact O-N 3.04Å; D162-H165 PolarHBondContact O-CE1 3.31Å
166L94.7Very high93.6Very high7 Ų749.8 Ų49.84%0.03727%0.268CS..  trans-64.5132.2175.5-72-170.2000110.4M100 R105 L160 Y164 I175 F177M100-L166 HydrophobicContact CE-CD1 3.69Å; M100-L166 HydrophobicContact CE-CD2 3.78Å; M100-L166 HydrophobicContact CE-CG 3.75Å; R105-L166 VanDerWaalsContact NH2-CD2 3.32Å; L160-L166 HydrophobicContact CB-CD1 3.97Å; Y164-L166 PolarHBondContact O-N 3.26Å; L166-I175 HydrophobicContact CD1-CD1 4.23Å; L166-F177 HydrophobicContact CD1-CD2 4.41Å
167P95.3Very high93.9Very high57 Ų5749.4 Ų49.437%0.3727%0.266SS..  trans-76161.1175.230.8-30.3000110.7L176 V190P167-L176 HydrophobicContact CB-CD1 4.29Å; P167-L176 HydrophobicContact CG-CB 4.11Å; P167-L176 HydrophobicContact CG-CD1 4.08Å; P167-L176 PolarHBondContact O-N 2.91Å; P167-V190 HydrophobicContact CB-CG2 3.73Å; P167-V190 HydrophobicContact CG-CG2 4.19Å
168T96.1Very high94Very high57 Ų5749.7 Ų49.735%0.3527%0.27SS..BIsolated β-bridgetrans-108.9146.2174.256.20000110.8I161 A170 F174 I175I161-T168 HydrophobicContact CD1-CG2 3.71Å; I161-T168 HydrophobicContact CG1-CG2 4.42Å; T168-A170 PolarHBondContact O-N 3.34Å; T168-F174 WeakPolarHBondContact CA-O 3.46Å; T168-I175 HydrophobicContact CG2-CG2 4.14Å
169C96.2Very high93.9Very high0 Ų050.7 Ų50.70%027%0.268CS..  trans-68.9125.2175.91720000110.3L171 C172 D173 F174 L176 V190 H192C169-L171 PolarHBondContact O-N 2.88Å; C169-L171 PolarHBondContact SG-N 3.44Å; C169-C172 VanDerWaalsContact CB-SG 3.6Å; C169-C172 PolarHBondContact O-N 3.25Å; C169-D173 WeakPolarHBondContact O-CA 3.44Å; C169-D173 PolarHBondContact O-N 2.85Å; C169-F174 PolarHBondContact N-O 3.32Å; C169-L176 HydrophobicContact CB-CD1 4.49Å; C169-L176 HydrophobicContact CB-CD2 4.37Å; C169-L176 HydrophobicContact CB-CG 4.3Å; C169-V190 WeakPolarHBondContact CA-O 3.2Å; C169-H192 VanDerWaalsContact CB-ND1 3.26Å; C169-H192 WeakPolarHBondContact CB-ND1 3.31Å; C169-H192 PolarHBondContact SG-N 3.44Å; C169-H192 VanDerWaalsContact SG-N 3.38Å
170A94.8Very high93.8Very high30 Ų3051.4 Ų51.425%0.24828%0.281CS..THydrogen-bonded Turntrans-70.81.1-17800000115.4T168 K189 V190 F191T168-A170 PolarHBondContact O-N 3.34Å; A170-K189 HydrophobicContact CB-CB 4.06Å; A170-K189 HydrophobicContact CB-CD 4.27Å; A170-K189 HydrophobicContact CB-CG 4.4Å; A170-V190 PolarHBondContact N-O 2.84Å; A170-F191 HydrophobicContact CB-CD1 4.1Å; A170-F191 HydrophobicContact CB-CE1 3.67Å; A170-F191 HydrophobicContact CB-CZ 4.38Å
171L94.3Very high93.9Very high65 Ų6554.5 Ų54.534%0.3430%0.295SS..THydrogen-bonded Turntrans-105.3-31.6176.2-76.8169.8000113.3C169 F191 C195 Y199 P212C169-L171 PolarHBondContact O-N 2.88Å; C169-L171 PolarHBondContact SG-N 3.44Å; L171-F191 HydrophobicContact CB-CD1 4.43Å; L171-F191 HydrophobicContact CD1-CD1 3.78Å; L171-F191 HydrophobicContact CD1-CE1 4.36Å; L171-F191 HydrophobicContact CG-CD1 3.69Å; L171-F191 HydrophobicContact CG-CE1 4Å; L171-C195 HydrophobicContact CB-CB 4.19Å; L171-C195 HydrophobicContact CD1-CB 3.98Å; L171-C195 WeakPolarHBondContact CD1-O 3.45Å; L171-Y199 HydrophobicContact CD1-CG 4.48Å; L171-P212 HydrophobicContact CD1-CG 4.47Å; L171-P212 HydrophobicContact CD2-CB 3.7Å; L171-P212 HydrophobicContact CD2-CG 3.77Å; L171-P212 HydrophobicContact CG-CG 4.18Å
172C93.8Very high93.9Very high48 Ų4855 Ų5532%0.32430%0.295SS..THydrogen-bonded Turntrans-123.8-1.1-175.569.90000114C169 F174 H192C169-C172 VanDerWaalsContact CB-SG 3.6Å; C169-C172 PolarHBondContact O-N 3.25Å; C172-F174 PolarHBondContact O-N 3.3Å; C172-F174 VanDerWaalsContact O-N 3.09Å; C172-H192 PolarHBondContact SG-ND1 3.09Å; C172-H192 VanDerWaalsContact SG-ND1 3.42Å
173D94.4Very high94.1Very high121 Ų12150.8 Ų50.865%0.64728%0.275SS*.  trans55.420.8-178-60-43.2000114.7C169C169-D173 WeakPolarHBondContact O-CA 3.44Å; C169-D173 PolarHBondContact O-N 2.85Å
174F95.8Very high94.3Very high3 Ų346.4 Ų46.41%0.01326%0.256CS..  trans-103.8149.1177.9-170.7-130.8000111.6R56 L153 A154 E157 T168 C169 C172 H192R56-F174 HydrophobicContact CB-CD1 4.29Å; R56-F174 HydrophobicContact CB-CE1 3.92Å; R56-F174 HydrophobicContact CB-CZ 4.14Å; R56-F174 HydrophobicContact CG-CD2 4.4Å; R56-F174 HydrophobicContact CG-CE1 4.23Å; R56-F174 HydrophobicContact CG-CE2 4.13Å; R56-F174 HydrophobicContact CG-CZ 4.03Å; R56-F174 VanDerWaalsContact NE-CD2 3.34Å; L153-F174 HydrophobicContact CB-CE1 4.46Å; L153-F174 HydrophobicContact CB-CZ 3.75Å; A154-F174 HydrophobicContact CB-CE2 4.36Å; A154-F174 HydrophobicContact CB-CZ 4.35Å; E157-F174 VanDerWaalsContact OE1-CD2 3.24Å; E157-F174 WeakPolarHBondContact OE1-CD2 3.43Å; T168-F174 WeakPolarHBondContact CA-O 3.46Å; C169-F174 PolarHBondContact N-O 3.32Å; C172-F174 PolarHBondContact O-N 3.3Å; C172-F174 VanDerWaalsContact O-N 3.09Å; F174-H192 PolarHBondContact O-CE1 2.98Å
175I95.4Very high94.2Very high0 Ų047.5 Ų47.50%027%0.27CS..BIsolated β-bridgetrans-54.9144.1-178.754.7167.4000114.3L153 E157 L160 I161 L166 T168 H192L153-I175 HydrophobicContact CB-CD1 3.89Å; L153-I175 HydrophobicContact CB-CG1 4.46Å; L153-I175 HydrophobicContact CD2-CD1 3.79Å; L153-I175 HydrophobicContact CG-CD1 4.33Å; E157-I175 HydrophobicContact CG-CG1 4.45Å; E157-I175 HydrophobicContact CG-CG2 3.67Å; E157-I175 PolarHBondContact OE1-N 3.39Å; L160-I175 HydrophobicContact CB-CD1 4.48Å; L160-I175 HydrophobicContact CD1-CD1 3.69Å; I161-I175 HydrophobicContact CD1-CG2 3.58Å; I161-I175 HydrophobicContact CG1-CG2 3.39Å; L166-I175 HydrophobicContact CD1-CD1 4.23Å; T168-I175 HydrophobicContact CG2-CG2 4.14Å; I175-H192 PolarHBondContact O-CE1 2.75Å; I175-H192 VanDerWaalsContact O-CE1 3.28Å; I175-H192 PolarHBondContact O-NE2 2.86Å
176L95.9Very high94.2Very high4 Ų444.3 Ų44.32%0.02126%0.261CS..  trans-93.798.6167.9-70.4154.8000108.1E59 P167 C169 H181 V190 H192E59-L176 VanDerWaalsContact OE1-CA 3.26Å; E59-L176 WeakPolarHBondContact OE1-CA 3.39Å; P167-L176 HydrophobicContact CB-CD1 4.29Å; P167-L176 HydrophobicContact CG-CB 4.11Å; P167-L176 HydrophobicContact CG-CD1 4.08Å; P167-L176 PolarHBondContact O-N 2.91Å; C169-L176 HydrophobicContact CB-CD1 4.49Å; C169-L176 HydrophobicContact CB-CD2 4.37Å; C169-L176 HydrophobicContact CB-CG 4.3Å; L176-H181 HydrophobicContact CD1-CB 4.5Å; L176-H181 HydrophobicContact CD2-CB 3.75Å; L176-V190 HydrophobicContact CD1-CB 3.57Å; L176-V190 HydrophobicContact CD1-CG2 3.17Å; L176-H192 HydrophobicContact CD2-CB 4.3Å; L176-H192 WeakPolarHBondContact CD2-CD2 3.48Å
177F96.1Very high94.2Very high7 Ų745.8 Ų45.83%0.03127%0.272CS..  trans-77.8-44.9-176.2178.2-111000111.4E59 I99 M100 R105 S147 L148 L153 L166E59-F177 PolarHBondContact OE1-N 3.38Å; I99-F177 HydrophobicContact CG2-CE2 4.39Å; I99-F177 HydrophobicContact CG2-CZ 3.82Å; M100-F177 HydrophobicContact SD-CD2 4.31Å; M100-F177 HydrophobicContact SD-CE2 3.71Å; R105-F177 HydrophobicContact CB-CD1 4.35Å; R105-F177 HydrophobicContact CB-CE1 3.66Å; R105-F177 HydrophobicContact CB-CE2 4.21Å; R105-F177 HydrophobicContact CB-CZ 3.61Å; R105-F177 HydrophobicContact CG-CZ 4.46Å; R105-F177 WeakPolarHBondContact CG-O 3.44Å; R105-F177 PolarHBondContact NE-O 3.17Å; S147-F177 WeakPolarHBondContact OG-CE1 3.45Å; L148-F177 HydrophobicContact CB-CE2 4.16Å; L148-F177 HydrophobicContact CB-CZ 3.95Å; L148-F177 HydrophobicContact CD1-CE2 3.78Å; L148-F177 HydrophobicContact CD1-CZ 4.29Å; L148-F177 HydrophobicContact CG-CE2 4.08Å; L148-F177 HydrophobicContact CG-CZ 4.07Å; L153-F177 HydrophobicContact CD1-CB 3.81Å; L153-F177 HydrophobicContact CD1-CD1 4.29Å; L153-F177 HydrophobicContact CD1-CG 3.96Å; L153-F177 HydrophobicContact CD2-CB 4Å; L153-F177 HydrophobicContact CD2-CD1 4.42Å; L153-F177 HydrophobicContact CD2-CD2 3.38Å; L153-F177 HydrophobicContact CD2-CE2 3.9Å; L153-F177 HydrophobicContact CD2-CG 3.67Å; L153-F177 HydrophobicContact CG-CG 4.48Å; L166-F177 HydrophobicContact CD1-CD2 4.41Å
178T91.6Very high94.1Very high36 Ų3649.2 Ų49.222%0.22128%0.283CS..SBendtrans-90.2162-17972.40000112.3E59 S180E59-T178 HydrophobicContact CB-CG2 4.42Å; E59-T178 VanDerWaalsContact OE2-CB 3.26Å; E59-T178 WeakPolarHBondContact OE2-CB 3.36Å; E59-T178 VanDerWaalsContact OE2-CG2 3.32Å; E59-T178 WeakPolarHBondContact OE2-CG2 3.15Å; E59-T178 PolarHBondContact OE2-N 3.4Å; E59-T178 PolarHBondContact OE2-OG1 2.96Å; T178-S180 PolarHBondContact O-N 2.8Å; T178-S180 PolarHBondContact OG1-N 2.71Å
179N87Confident94.1Very high106 Ų10650.4 Ų50.457%0.56728%0.283SS*.SBendtrans-76.2-0.5172.3-60.2-28.2000112.8S103 H181S103-N179 PolarHBondContact O-ND2 2.47Å; N179-H181 PolarHBondContact O-N 3.48Å; N179-H181 PolarHBondContact O-ND1 3.49Å
180S88.1Confident94.1Very high78 Ų7851.4 Ų51.455%0.54529%0.289SS..  trans-89.882.1178.9-66.10000110T178 N193T178-S180 PolarHBondContact O-N 2.8Å; T178-S180 PolarHBondContact OG1-N 2.71Å; S180-N193 PolarHBondContact O-ND2 3.36Å
181H93.6Very high94.1Very high65 Ų6550 Ų5030%0.30128%0.277SS..EExtended strand (participates in β ladder)trans-134.7162.7179.658.2-97.2000111.3L176 N179 F191L176-H181 HydrophobicContact CD1-CB 4.5Å; L176-H181 HydrophobicContact CD2-CB 3.75Å; N179-H181 PolarHBondContact O-N 3.48Å; N179-H181 PolarHBondContact O-ND1 3.49Å; H181-F191 WeakPolarHBondContact CA-O 3.31Å; H181-F191 WeakPolarHBondContact CB-O 3.3Å
182K94.7Very high94.2Very high60 Ų6047 Ų4726%0.26126%0.262SS..EExtended strand (participates in β ladder)trans-91.8140.5168.9-67.8-54.4-168.9-174.50110.5V190 F191 N193 F196 I223 Q224K182-V190 CarbonylContact O-C 3.43Å; K182-V190 WeakPolarHBondContact O-CA 3.47Å; K182-F191 HydrophobicContact CB-CB 4.26Å; K182-F191 HydrophobicContact CB-CD2 4.28Å; K182-F191 PolarHBondContact N-O 3.38Å; K182-F191 PolarHBondContact O-N 3.09Å; K182-N193 WeakPolarHBondContact CG-OD1 3.47Å; K182-F196 HydrophobicContact CB-CB 4.24Å; K182-F196 HydrophobicContact CB-CD1 4.38Å; K182-F196 HydrophobicContact CB-CG 4.22Å; K182-F196 HydrophobicContact CG-CB 3.99Å; K182-F196 HydrophobicContact CG-CD1 3.75Å; K182-F196 HydrophobicContact CG-CG 3.99Å; K182-I223 HydrophobicContact CB-CG2 3.79Å; K182-I223 HydrophobicContact CG-CG2 4.49Å; K182-Q224 CarbonylContact C-O 3.55Å; K182-Q224 WeakPolarHBondContact CA-O 3.35Å; K182-Q224 WeakPolarHBondContact CD-OXT 3.16Å; K182-Q224 WeakPolarHBondContact CE-OXT 3.01Å; K182-Q224 PolarHBondContact NZ-OXT 2.83Å
183C95.9Very high94.2Very high30 Ų3047.7 Ų47.720%0.20326%0.262CS..EExtended strand (participates in β ladder)trans-127.8129.9175-1730000110.9S185 K189 V190 I223 Q224C183-S185 PolarHBondContact O-N 2.73Å; C183-K189 WeakPolarHBondContact CA-O 3.36Å; C183-V190 HydrophobicContact CB-CG1 3.96Å; C183-I223 WeakPolarHBondContact O-CA 3.48Å; C183-Q224 PolarHBondContact N-O 3.15Å; C183-Q224 PolarHBondContact O-N 3Å
184C95.8Very high94.2Very high0 Ų046.1 Ų46.10%025%0.251CS..BIsolated β-bridgetrans-74.8115.9169.1179.10000109.9V186 C187 Q188 K189 F191 C216 I223C184-V186 PolarHBondContact O-N 3.23Å; C184-V186 VanDerWaalsContact O-N 3.11Å; C184-C187 VanDerWaalsContact CB-SG 3.6Å; C184-Q188 WeakPolarHBondContact O-CA 3.42Å; C184-Q188 PolarHBondContact O-N 2.79Å; C184-K189 PolarHBondContact N-O 3.38Å; C184-F191 HydrophobicContact CB-CE2 4.3Å; C184-C216 VanDerWaalsContact SG-SG 3.65Å; C184-I223 HydrophobicContact CB-CD1 4.47Å; C184-I223 HydrophobicContact CB-CG1 3.95Å
185S93.8Very high94.1Very high64 Ų6446.8 Ų46.845%0.44826%0.256SS..THydrogen-bonded Turntrans-61.7-20.7179.957.50000114.2C183 Q188 D222C183-S185 PolarHBondContact O-N 2.73Å; S185-Q188 PolarHBondContact O-NE2 3.32Å; S185-D222 WeakPolarHBondContact CB-O 3.14Å; S185-D222 PolarHBondContact N-O 3.44Å; S185-D222 PolarHBondContact OG-O 2.81Å
186V94.5Very high94Very high93 Ų9347.6 Ų47.656%0.56426%0.26SS*.THydrogen-bonded Turntrans-88.7-55.6-179.6179.50000112.5C184 A218C184-V186 PolarHBondContact O-N 3.23Å; C184-V186 VanDerWaalsContact O-N 3.11Å; V186-A218 HydrophobicContact CB-CB 3.8Å; V186-A218 HydrophobicContact CG2-CB 3.53Å
187C94.5Very high93.9Very high38 Ų3849.8 Ų49.826%0.25728%0.275SS..THydrogen-bonded Turntrans-96.1-2.5-177.169.10000114.1C184 K189 C211 C216C184-C187 VanDerWaalsContact CB-SG 3.6Å; C187-K189 HydrophobicContact CB-CG 4.4Å; C187-K189 PolarHBondContact O-N 2.91Å; C187-K189 VanDerWaalsContact SG-CG 3.58Å; C187-C211 VanDerWaalsContact SG-SG 3.62Å; C187-C216 HydrophobicContact CB-CB 3.89Å; C187-C216 VanDerWaalsContact SG-SG 3.64Å
188Q94.7Very high93.7Very high128 Ų12852.3 Ų52.360%0.59829%0.294SS*.  trans57.818.3-180-58.2-66.1-41.300113.8C184 S185C184-Q188 WeakPolarHBondContact O-CA 3.42Å; C184-Q188 PolarHBondContact O-N 2.79Å; S185-Q188 PolarHBondContact O-NE2 3.32Å
189K95.2Very high93.7Very high82 Ų8252.9 Ų52.936%0.35729%0.292SS..  trans-76.7139.2172.4-67.3-63-174.9177.80109.8A170 C183 C184 C187 F191 F213A170-K189 HydrophobicContact CB-CB 4.06Å; A170-K189 HydrophobicContact CB-CD 4.27Å; A170-K189 HydrophobicContact CB-CG 4.4Å; C183-K189 WeakPolarHBondContact CA-O 3.36Å; C184-K189 PolarHBondContact N-O 3.38Å; C187-K189 HydrophobicContact CB-CG 4.4Å; C187-K189 PolarHBondContact O-N 2.91Å; C187-K189 VanDerWaalsContact SG-CG 3.58Å; K189-F191 HydrophobicContact CB-CE2 4.41Å; K189-F191 HydrophobicContact CB-CZ 4.05Å; K189-F191 WeakPolarHBondContact O-CE2 3.41Å; K189-F213 HydrophobicContact CD-CD2 4.36Å; K189-F213 HydrophobicContact CD-CE2 4.4Å; K189-F213 HydrophobicContact CG-CB 4.28Å; K189-F213 HydrophobicContact CG-CD1 4.22Å; K189-F213 HydrophobicContact CG-CD2 4.1Å; K189-F213 HydrophobicContact CG-CG 3.92Å
190V96.1Very high93.9Very high21 Ų2148.7 Ų48.713%0.12727%0.272CS..EExtended strand (participates in β ladder)trans-111.2152.3-176.9-69.70000111.7P167 C169 A170 L176 K182 C183P167-V190 HydrophobicContact CB-CG2 3.73Å; P167-V190 HydrophobicContact CG-CG2 4.19Å; C169-V190 WeakPolarHBondContact CA-O 3.2Å; A170-V190 PolarHBondContact N-O 2.84Å; L176-V190 HydrophobicContact CD1-CB 3.57Å; L176-V190 HydrophobicContact CD1-CG2 3.17Å; K182-V190 CarbonylContact O-C 3.43Å; K182-V190 WeakPolarHBondContact O-CA 3.47Å; C183-V190 HydrophobicContact CB-CG1 3.96Å
191F95.6Very high94Very high0 Ų050.7 Ų50.70%028%0.277CS..EExtended strand (participates in β ladder)trans-141.3145.8-173.9-46.4-86.3000111.2A170 L171 H181 K182 C184 K189 N193 F196 P212 I223A170-F191 HydrophobicContact CB-CD1 4.1Å; A170-F191 HydrophobicContact CB-CE1 3.67Å; A170-F191 HydrophobicContact CB-CZ 4.38Å; L171-F191 HydrophobicContact CB-CD1 4.43Å; L171-F191 HydrophobicContact CD1-CD1 3.78Å; L171-F191 HydrophobicContact CD1-CE1 4.36Å; L171-F191 HydrophobicContact CG-CD1 3.69Å; L171-F191 HydrophobicContact CG-CE1 4Å; H181-F191 WeakPolarHBondContact CA-O 3.31Å; H181-F191 WeakPolarHBondContact CB-O 3.3Å; K182-F191 HydrophobicContact CB-CB 4.26Å; K182-F191 HydrophobicContact CB-CD2 4.28Å; K182-F191 PolarHBondContact N-O 3.38Å; K182-F191 PolarHBondContact O-N 3.09Å; C184-F191 HydrophobicContact CB-CE2 4.3Å; K189-F191 HydrophobicContact CB-CE2 4.41Å; K189-F191 HydrophobicContact CB-CZ 4.05Å; K189-F191 WeakPolarHBondContact O-CE2 3.41Å; F191-N193 PolarHBondContact O-N 2.93Å; F191-F196 HydrophobicContact CB-CB 3.97Å; F191-F196 HydrophobicContact CD2-CD2 4.33Å; F191-F196 HydrophobicContact CG-CD2 4.46Å; F191-P212 HydrophobicContact CD1-CG 4.45Å; F191-P212 HydrophobicContact CE1-CG 3.53Å; F191-P212 HydrophobicContact CZ-CG 3.78Å; F191-I223 HydrophobicContact CD2-CG2 4.27Å; F191-I223 HydrophobicContact CE2-CG2 4.36Å
192H96.3Very high93.8Very high3 Ų351.5 Ų51.51%0.01429%0.289CS..EExtended strand (participates in β ladder)trans-61.1140.8164-63.7114.7000108.9L57 E59 C169 C172 F174 I175 L176 Q194 C195 F196L57-H192 HydrophobicContact CD2-CB 3.47Å; L57-H192 VanDerWaalsContact CD2-CB 3.47Å; E59-H192 VanDerWaalsContact CD-CD2 3.43Å; E59-H192 VanDerWaalsContact CG-CD2 3.43Å; E59-H192 WeakPolarHBondContact CG-CD2 3.4Å; E59-H192 IonicContact OE1-CD2 3.09Å; E59-H192 PolarHBondContact OE1-CD2 2.96Å; E59-H192 IonicContact OE1-NE2 2.85Å; E59-H192 PolarHBondContact OE1-NE2 3.26Å; C169-H192 VanDerWaalsContact CB-ND1 3.26Å; C169-H192 WeakPolarHBondContact CB-ND1 3.31Å; C169-H192 PolarHBondContact SG-N 3.44Å; C169-H192 VanDerWaalsContact SG-N 3.38Å; C172-H192 PolarHBondContact SG-ND1 3.09Å; C172-H192 VanDerWaalsContact SG-ND1 3.42Å; F174-H192 PolarHBondContact O-CE1 2.98Å; I175-H192 PolarHBondContact O-CE1 2.75Å; I175-H192 VanDerWaalsContact O-CE1 3.28Å; I175-H192 PolarHBondContact O-NE2 2.86Å; L176-H192 HydrophobicContact CD2-CB 4.3Å; L176-H192 WeakPolarHBondContact CD2-CD2 3.48Å; H192-Q194 PolarHBondContact O-N 3.47Å; H192-C195 HydrophobicContact CB-CB 3.95Å; H192-C195 PolarHBondContact O-N 3.09Å; H192-C195 VanDerWaalsContact O-N 3.11Å; H192-F196 PolarHBondContact O-N 2.87Å
193N94Very high93.4Very high63 Ų6350 Ų5034%0.33729%0.285SS..Hα-helixtrans-52.4-43.7177.1-73.9-24.6000111.9S180 K182 F191 S197S180-N193 PolarHBondContact O-ND2 3.36Å; K182-N193 WeakPolarHBondContact CG-OD1 3.47Å; F191-N193 PolarHBondContact O-N 2.93Å; N193-S197 WeakPolarHBondContact O-CB 3.49Å; N193-S197 PolarHBondContact O-N 3.08Å; N193-S197 PolarHBondContact O-OG 3.38Å
194Q93.9Very high92Very high87 Ų8751.8 Ų51.841%0.40730%0.303SS..Hα-helixtrans-69.7-40.4179.5-171.859.335.500113L57 H192 S197 S198L57-Q194 HydrophobicContact CD1-CB 4.01Å; L57-Q194 HydrophobicContact CD1-CG 3.99Å; L57-Q194 HydrophobicContact CD2-CB 4.05Å; H192-Q194 PolarHBondContact O-N 3.47Å; Q194-S197 PolarHBondContact O-N 3.02Å; Q194-S198 PolarHBondContact NE2-OG 2.82Å; Q194-S198 WeakPolarHBondContact O-CB 3.33Å; Q194-S198 PolarHBondContact O-N 3.35Å; Q194-S198 PolarHBondContact O-OG 3.37Å
195C93.9Very high90.4Very high17 Ų1760.7 Ų60.712%0.11534%0.341CS..Hα-helixtrans-61.7-46.6176.1-68.90000110.4L171 H192 S198 Y199L171-C195 HydrophobicContact CB-CB 4.19Å; L171-C195 HydrophobicContact CD1-CB 3.98Å; L171-C195 WeakPolarHBondContact CD1-O 3.45Å; H192-C195 HydrophobicContact CB-CB 3.95Å; H192-C195 PolarHBondContact O-N 3.09Å; H192-C195 VanDerWaalsContact O-N 3.11Å; C195-S198 PolarHBondContact O-N 3.47Å; C195-Y199 PolarHBondContact O-N 3.24Å
196F93.5Very high89.1Confident18 Ų1861.1 Ų61.18%0.07934%0.344CS..Hα-helixtrans-64.7-44.2177.9-177-105.2000112.3K182 F191 H192 S198 Y199 A200 L220 I223K182-F196 HydrophobicContact CB-CB 4.24Å; K182-F196 HydrophobicContact CB-CD1 4.38Å; K182-F196 HydrophobicContact CB-CG 4.22Å; K182-F196 HydrophobicContact CG-CB 3.99Å; K182-F196 HydrophobicContact CG-CD1 3.75Å; K182-F196 HydrophobicContact CG-CG 3.99Å; F191-F196 HydrophobicContact CB-CB 3.97Å; F191-F196 HydrophobicContact CD2-CD2 4.33Å; F191-F196 HydrophobicContact CG-CD2 4.46Å; H192-F196 PolarHBondContact O-N 2.87Å; F196-S198 VanDerWaalsContact C-N 3.34Å; F196-S198 PolarHBondContact O-N 2.87Å; F196-Y199 HydrophobicContact CD2-CD1 4.47Å; F196-Y199 HydrophobicContact CE2-CD1 4.36Å; F196-Y199 WeakPolarHBondContact O-CB 3.5Å; F196-Y199 PolarHBondContact O-N 2.84Å; F196-A200 HydrophobicContact CE1-CB 4.42Å; F196-A200 WeakPolarHBondContact O-CB 3.42Å; F196-A200 PolarHBondContact O-N 2.65Å; F196-L220 HydrophobicContact CE2-CD2 4.04Å; F196-L220 HydrophobicContact CZ-CB 4.44Å; F196-L220 HydrophobicContact CZ-CD2 4.07Å; F196-I223 HydrophobicContact CD1-CG2 4.42Å; F196-I223 HydrophobicContact CD2-CD1 4.37Å; F196-I223 HydrophobicContact CD2-CG2 4.03Å; F196-I223 HydrophobicContact CE1-CB 4.39Å; F196-I223 HydrophobicContact CE1-CG2 4.04Å; F196-I223 HydrophobicContact CE2-CB 4.03Å; F196-I223 HydrophobicContact CE2-CD1 3.39Å; F196-I223 HydrophobicContact CE2-CG1 4.28Å; F196-I223 HydrophobicContact CE2-CG2 3.65Å; F196-I223 HydrophobicContact CG-CG2 4.4Å; F196-I223 HydrophobicContact CZ-CB 3.73Å; F196-I223 HydrophobicContact CZ-CD1 3.8Å; F196-I223 HydrophobicContact CZ-CG1 4.34Å; F196-I223 HydrophobicContact CZ-CG2 3.63Å
197S92.2Very high87.8Confident50 Ų5063.2 Ų63.235%0.3536%0.36SS..Hα-helixtrans-60.5-44.8177.9-55.80000111.3N193 Q194 Y199 A200 D201N193-S197 WeakPolarHBondContact O-CB 3.49Å; N193-S197 PolarHBondContact O-N 3.08Å; N193-S197 PolarHBondContact O-OG 3.38Å; Q194-S197 PolarHBondContact O-N 3.02Å; S197-Y199 VanDerWaalsContact C-N 3.31Å; S197-Y199 PolarHBondContact O-N 2.68Å; S197-A200 PolarHBondContact O-N 2.97Å; S197-D201 WeakPolarHBondContact O-CB 3.31Å; S197-D201 VanDerWaalsContact O-CG 3.28Å; S197-D201 PolarHBondContact O-N 2.96Å
198S92.1Very high86.9Confident60 Ų6064.8 Ų64.842%0.4238%0.383SS..Hα-helixtrans-61.7-39.3176.8-53.50000112.1Q194 C195 F196 S202Q194-S198 PolarHBondContact NE2-OG 2.82Å; Q194-S198 WeakPolarHBondContact O-CB 3.33Å; Q194-S198 PolarHBondContact O-N 3.35Å; Q194-S198 PolarHBondContact O-OG 3.37Å; C195-S198 PolarHBondContact O-N 3.47Å; F196-S198 VanDerWaalsContact C-N 3.34Å; F196-S198 PolarHBondContact O-N 2.87Å; S198-S202 PolarHBondContact O-N 2.9Å
199Y92.5Very high86.4Confident48 Ų4859.8 Ų59.819%0.18836%0.362CS..Hα-helixtrans-65.1-52.5173.4170.6-105.5000111.3L171 C195 F196 S197 D201 S202 V203 T210 P212 L220L171-Y199 HydrophobicContact CD1-CG 4.48Å; C195-Y199 PolarHBondContact O-N 3.24Å; F196-Y199 HydrophobicContact CD2-CD1 4.47Å; F196-Y199 HydrophobicContact CE2-CD1 4.36Å; F196-Y199 WeakPolarHBondContact O-CB 3.5Å; F196-Y199 PolarHBondContact O-N 2.84Å; S197-Y199 VanDerWaalsContact C-N 3.31Å; S197-Y199 PolarHBondContact O-N 2.68Å; Y199-D201 VanDerWaalsContact C-N 3.3Å; Y199-D201 PolarHBondContact O-N 3.24Å; Y199-S202 WeakPolarHBondContact O-CA 3.01Å; Y199-S202 WeakPolarHBondContact O-CB 3.21Å; Y199-S202 PolarHBondContact O-N 2.91Å; Y199-S202 PolarHBondContact O-OG 3.49Å; Y199-V203 HydrophobicContact CD1-CG2 4.36Å; Y199-V203 HydrophobicContact CD2-CG1 4.13Å; Y199-V203 HydrophobicContact CE1-CG2 3.95Å; Y199-V203 HydrophobicContact CE2-CG1 3.54Å; Y199-V203 HydrophobicContact CE2-CG2 4.38Å; Y199-V203 WeakPolarHBondContact O-CG2 3.25Å; Y199-V203 PolarHBondContact O-N 2.86Å; Y199-V203 VanDerWaalsContact O-N 3.08Å; Y199-T210 PolarHBondContact OH-O 3.05Å; Y199-P212 HydrophobicContact CD1-CB 4.24Å; Y199-P212 HydrophobicContact CD1-CG 4.17Å; Y199-P212 HydrophobicContact CD2-CB 4.18Å; Y199-P212 HydrophobicContact CE1-CB 3.83Å; Y199-P212 HydrophobicContact CE1-CG 4Å; Y199-P212 HydrophobicContact CE2-CB 3.79Å; Y199-P212 HydrophobicContact CG-CB 4.39Å; Y199-L220 HydrophobicContact CD1-CD2 4.44Å; Y199-L220 HydrophobicContact CE1-CD2 3.83Å
200A91.4Very high86.3Confident18 Ų1858.1 Ų58.115%0.14936%0.358CS..Hα-helixtrans-54.9-45.718000000110.9F196 S197 S202 V203 A204 L220F196-A200 HydrophobicContact CE1-CB 4.42Å; F196-A200 WeakPolarHBondContact O-CB 3.42Å; F196-A200 PolarHBondContact O-N 2.65Å; S197-A200 PolarHBondContact O-N 2.97Å; A200-S202 VanDerWaalsContact C-N 3.28Å; A200-S202 PolarHBondContact O-N 2.77Å; A200-V203 PolarHBondContact O-N 2.87Å; A200-A204 WeakPolarHBondContact O-CA 3.36Å; A200-A204 WeakPolarHBondContact O-CB 3.41Å; A200-A204 PolarHBondContact O-N 2.78Å; A200-L220 HydrophobicContact CB-CD1 4.33Å
201D90.1Very high86.1Confident120 Ų12057.3 Ų57.364%0.64235%0.354SS*.Hα-helixtrans-63.4-32.9177.3-70.2-21.3000113S197 Y199S197-D201 WeakPolarHBondContact O-CB 3.31Å; S197-D201 VanDerWaalsContact O-CG 3.28Å; S197-D201 PolarHBondContact O-N 2.96Å; Y199-D201 VanDerWaalsContact C-N 3.3Å; Y199-D201 PolarHBondContact O-N 3.24Å
202S88.8Confident85.8Confident81 Ų8159.1 Ų59.157%0.56637%0.366SS*.Hα-helixtrans-72.6-31.5177.9780000113.1S198 Y199 A200S198-S202 PolarHBondContact O-N 2.9Å; Y199-S202 WeakPolarHBondContact O-CA 3.01Å; Y199-S202 WeakPolarHBondContact O-CB 3.21Å; Y199-S202 PolarHBondContact O-N 2.91Å; Y199-S202 PolarHBondContact O-OG 3.49Å; A200-S202 VanDerWaalsContact C-N 3.28Å; A200-S202 PolarHBondContact O-N 2.77Å
203V87.2Confident85.5Confident28 Ų2862.7 Ų62.717%0.1738%0.381CS..Hα-helixtrans-104.3-22.8-176.6-580000114.1Y199 A200 K205 S206 S209 L220Y199-V203 HydrophobicContact CD1-CG2 4.36Å; Y199-V203 HydrophobicContact CD2-CG1 4.13Å; Y199-V203 HydrophobicContact CE1-CG2 3.95Å; Y199-V203 HydrophobicContact CE2-CG1 3.54Å; Y199-V203 HydrophobicContact CE2-CG2 4.38Å; Y199-V203 WeakPolarHBondContact O-CG2 3.25Å; Y199-V203 PolarHBondContact O-N 2.86Å; Y199-V203 VanDerWaalsContact O-N 3.08Å; A200-V203 PolarHBondContact O-N 2.87Å; V203-K205 PolarHBondContact O-N 2.96Å; V203-S206 WeakPolarHBondContact O-CA 3.18Å; V203-S206 VanDerWaalsContact O-CB 3.31Å; V203-S206 WeakPolarHBondContact O-CB 3.1Å; V203-S206 PolarHBondContact O-N 3.41Å; V203-S209 WeakPolarHBondContact CB-OG 3.32Å; V203-S209 PolarHBondContact O-OG 3.45Å; V203-L220 HydrophobicContact CG2-CD1 3.92Å
204A65.8Low85Confident69 Ų6964.5 Ų64.557%0.5740%0.399SS*.THydrogen-bonded Turntrans-59.4-11.5-17500000114.1A200 S206A200-A204 WeakPolarHBondContact O-CA 3.36Å; A200-A204 WeakPolarHBondContact O-CB 3.41Å; A200-A204 PolarHBondContact O-N 2.78Å; A204-S206 PolarHBondContact O-N 3.24Å
205K62.7Low84.6Confident187 Ų18764.2 Ų64.281%0.81342%0.419SS*.THydrogen-bonded Turntrans-72.2-8.6168.6-62.1-179.1-177.4175.30113.4V203V203-K205 PolarHBondContact O-N 2.96Å
206S66.3Low84.5Confident73 Ų7363.7 Ų63.751%0.5142%0.416SS..SBendtrans-117.8117.7-175.3-58.50000110.7V203 A204 G208 S209V203-S206 WeakPolarHBondContact O-CA 3.18Å; V203-S206 VanDerWaalsContact O-CB 3.31Å; V203-S206 WeakPolarHBondContact O-CB 3.1Å; V203-S206 PolarHBondContact O-N 3.41Å; A204-S206 PolarHBondContact O-N 3.24Å; S206-G208 PolarHBondContact O-N 3.29Å; S206-S209 PolarHBondContact O-N 3.4Å; S206-S209 PolarHBondContact O-OG 2.95Å
207P66.9Low84.4Confident136 Ų13669.4 Ų69.488%0.88345%0.447SS*.THydrogen-bonded Turntrans-55137.7169.6-21.131.1000110.8
208G76.6Confident84.3Confident72 Ų7267.3 Ų67.374%0.74243%0.433SS*.THydrogen-bonded Turntrans83.320.8179.700000114.8S206 T210S206-G208 PolarHBondContact O-N 3.29Å; G208-T210 WeakPolarHBondContact O-CG2 3.21Å; G208-T210 PolarHBondContact O-N 3.46Å
209S84.3Confident84.3Confident23 Ų2367.1 Ų67.116%0.16143%0.43CS..  trans-59.8130.6171.8-66.20000111.3V203 S206 L220V203-S209 WeakPolarHBondContact CB-OG 3.32Å; V203-S209 PolarHBondContact O-OG 3.45Å; S206-S209 PolarHBondContact O-N 3.4Å; S206-S209 PolarHBondContact O-OG 2.95Å; S209-L220 PolarHBondContact O-N 3.05Å
210T91.5Very high84.2Confident46 Ų4666.5 Ų66.528%0.28243%0.43SS..BIsolated β-bridgetrans-119.7175.2-17657.70000111.5Y199 G208 A218 L220Y199-T210 PolarHBondContact OH-O 3.05Å; G208-T210 WeakPolarHBondContact O-CG2 3.21Å; G208-T210 PolarHBondContact O-N 3.46Å; T210-A218 CarbonylContact C-O 3.41Å; T210-A218 WeakPolarHBondContact CA-O 3.46Å; T210-A218 WeakPolarHBondContact CB-O 3.36Å; T210-L220 VanDerWaalsContact O-CD2 3.25Å; T210-L220 WeakPolarHBondContact O-CD2 3.27Å
211C92Very high84Confident4 Ų469.9 Ų69.93%0.02745%0.452CS..  trans-45.3135.1166.4-178.50000111.3C187 F213 C216 A218 I223C187-C211 VanDerWaalsContact SG-SG 3.62Å; C211-F213 PolarHBondContact O-N 3.24Å; C211-C216 HydrophobicContact CB-CB 3.81Å; C211-C216 VanDerWaalsContact CB-SG 3.52Å; C211-A218 HydrophobicContact CB-CB 4.4Å; C211-A218 PolarHBondContact N-O 3.37Å; C211-I223 HydrophobicContact CB-CD1 4.14Å
212P90.9Very high83.8Confident39 Ų3966.9 Ų66.925%0.25344%0.436SS..SBendtrans-70.5-13.2-178.527.4-35000113.6L171 F191 Y199L171-P212 HydrophobicContact CD1-CG 4.47Å; L171-P212 HydrophobicContact CD2-CB 3.7Å; L171-P212 HydrophobicContact CD2-CG 3.77Å; L171-P212 HydrophobicContact CG-CG 4.18Å; F191-P212 HydrophobicContact CD1-CG 4.45Å; F191-P212 HydrophobicContact CE1-CG 3.53Å; F191-P212 HydrophobicContact CZ-CG 3.78Å; Y199-P212 HydrophobicContact CD1-CB 4.24Å; Y199-P212 HydrophobicContact CD1-CG 4.17Å; Y199-P212 HydrophobicContact CD2-CB 4.18Å; Y199-P212 HydrophobicContact CE1-CB 3.83Å; Y199-P212 HydrophobicContact CE1-CG 4Å; Y199-P212 HydrophobicContact CE2-CB 3.79Å; Y199-P212 HydrophobicContact CG-CB 4.39Å
213F88.8Confident83.8Confident77 Ų7763.6 Ų63.634%0.33841%0.412SS..SBendtrans-77.6129.2-176.2-168.7-103.2000111.4K189 C211 G215 C216K189-F213 HydrophobicContact CD-CD2 4.36Å; K189-F213 HydrophobicContact CD-CE2 4.4Å; K189-F213 HydrophobicContact CG-CB 4.28Å; K189-F213 HydrophobicContact CG-CD1 4.22Å; K189-F213 HydrophobicContact CG-CD2 4.1Å; K189-F213 HydrophobicContact CG-CG 3.92Å; C211-F213 PolarHBondContact O-N 3.24Å; F213-G215 PolarHBondContact O-N 2.86Å; F213-G215 VanDerWaalsContact O-N 3.15Å; F213-C216 HydrophobicContact CB-CB 4.49Å; F213-C216 PolarHBondContact O-N 3.01Å
214S83.4Confident83.8Confident101 Ų10170.3 Ų70.371%0.70644%0.442SS*.THydrogen-bonded Turntrans-54.9119.4179.757.90000111.3
215G85.9Confident84.7Confident81 Ų8170.4 Ų70.484%0.83544%0.435SS*.THydrogen-bonded Turntrans96-3.1-179.900000115.1F213F213-G215 PolarHBondContact O-N 2.86Å; F213-G215 VanDerWaalsContact O-N 3.15Å
216C91.3Very high85.9Confident7 Ų764.2 Ų64.25%0.04742%0.415CS..  trans-102.8116.2172.3-171.70000111C184 C187 C211 F213C184-C216 VanDerWaalsContact SG-SG 3.65Å; C187-C216 HydrophobicContact CB-CB 3.89Å; C187-C216 VanDerWaalsContact SG-SG 3.64Å; C211-C216 HydrophobicContact CB-CB 3.81Å; C211-C216 VanDerWaalsContact CB-SG 3.52Å; F213-C216 HydrophobicContact CB-CB 4.49Å; F213-C216 PolarHBondContact O-N 3.01Å
217N90.8Very high87Confident138 Ų13863.7 Ų63.774%0.73841%0.41SS*.  trans-99.717.6177.2-62.4-35.4000112.8
218A91.8Very high88.2Confident5 Ų559.5 Ų59.54%0.04138%0.382CS..  trans-62.1131.8177.700000109.5V186 T210 C211 D222V186-A218 HydrophobicContact CB-CB 3.8Å; V186-A218 HydrophobicContact CG2-CB 3.53Å; T210-A218 CarbonylContact C-O 3.41Å; T210-A218 WeakPolarHBondContact CA-O 3.46Å; T210-A218 WeakPolarHBondContact CB-O 3.36Å; C211-A218 HydrophobicContact CB-CB 4.4Å; C211-A218 PolarHBondContact N-O 3.37Å; A218-D222 HydrophobicContact CB-CB 4.23Å
219P90.9Very high88.9Confident56 Ų5658.7 Ų58.736%0.36436%0.36SS..BIsolated β-bridgetrans-60154.2172.727.2-35.6000110.5S221 D222P219-S221 WeakPolarHBondContact CG-OG 3.41Å; P219-S221 PolarHBondContact O-N 3.42Å; P219-D222 VanDerWaalsContact CD-OD2 3.27Å; P219-D222 WeakPolarHBondContact CD-OD2 3.43Å; P219-D222 HydrophobicContact CG-CB 4.37Å; P219-D222 WeakPolarHBondContact CG-OD2 3.48Å; P219-D222 WeakPolarHBondContact O-CB 3.5Å; P219-D222 PolarHBondContact O-N 2.81Å
220L90.7Very high89.2Confident36 Ų3661.1 Ų61.119%0.18837%0.373CS..G310 helixtrans-57.3-23.8178.1-63.1-176.4000113.7F196 Y199 A200 V203 S209 T210 D222 I223F196-L220 HydrophobicContact CE2-CD2 4.04Å; F196-L220 HydrophobicContact CZ-CB 4.44Å; F196-L220 HydrophobicContact CZ-CD2 4.07Å; Y199-L220 HydrophobicContact CD1-CD2 4.44Å; Y199-L220 HydrophobicContact CE1-CD2 3.83Å; A200-L220 HydrophobicContact CB-CD1 4.33Å; V203-L220 HydrophobicContact CG2-CD1 3.92Å; S209-L220 PolarHBondContact O-N 3.05Å; T210-L220 VanDerWaalsContact O-CD2 3.25Å; T210-L220 WeakPolarHBondContact O-CD2 3.27Å; L220-D222 PolarHBondContact O-N 3.11Å; L220-I223 HydrophobicContact CD2-CD1 4.11Å; L220-I223 PolarHBondContact O-N 3.04Å
221S86.5Confident89.1Confident88 Ų8862.1 Ų62.162%0.61538%0.379SS*.G310 helixtrans-62.4-23.1174.7550000113.9P219 I223P219-S221 WeakPolarHBondContact CG-OG 3.41Å; P219-S221 PolarHBondContact O-N 3.42Å; S221-I223 PolarHBondContact O-N 2.89Å
222D87.1Confident88.8Confident58 Ų5866.6 Ų66.631%0.3141%0.406SS..G310 helixtrans-88.55.9-177.9-67.31.2000112.1S185 A218 P219 L220S185-D222 WeakPolarHBondContact CB-O 3.14Å; S185-D222 PolarHBondContact N-O 3.44Å; S185-D222 PolarHBondContact OG-O 2.81Å; A218-D222 HydrophobicContact CB-CB 4.23Å; P219-D222 VanDerWaalsContact CD-OD2 3.27Å; P219-D222 WeakPolarHBondContact CD-OD2 3.43Å; P219-D222 HydrophobicContact CG-CB 4.37Å; P219-D222 WeakPolarHBondContact CG-OD2 3.48Å; P219-D222 WeakPolarHBondContact O-CB 3.5Å; P219-D222 PolarHBondContact O-N 2.81Å; L220-D222 PolarHBondContact O-N 3.11Å
223I89Confident88.7Confident11 Ų1168.9 Ų68.96%0.05642%0.419CS..BIsolated β-bridgetrans-106.4106.4177.4-57.7175000108.1K182 C183 C184 F191 F196 C211 L220 S221K182-I223 HydrophobicContact CB-CG2 3.79Å; K182-I223 HydrophobicContact CG-CG2 4.49Å; C183-I223 WeakPolarHBondContact O-CA 3.48Å; C184-I223 HydrophobicContact CB-CD1 4.47Å; C184-I223 HydrophobicContact CB-CG1 3.95Å; F191-I223 HydrophobicContact CD2-CG2 4.27Å; F191-I223 HydrophobicContact CE2-CG2 4.36Å; F196-I223 HydrophobicContact CD1-CG2 4.42Å; F196-I223 HydrophobicContact CD2-CD1 4.37Å; F196-I223 HydrophobicContact CD2-CG2 4.03Å; F196-I223 HydrophobicContact CE1-CB 4.39Å; F196-I223 HydrophobicContact CE1-CG2 4.04Å; F196-I223 HydrophobicContact CE2-CB 4.03Å; F196-I223 HydrophobicContact CE2-CD1 3.39Å; F196-I223 HydrophobicContact CE2-CG1 4.28Å; F196-I223 HydrophobicContact CE2-CG2 3.65Å; F196-I223 HydrophobicContact CG-CG2 4.4Å; F196-I223 HydrophobicContact CZ-CB 3.73Å; F196-I223 HydrophobicContact CZ-CD1 3.8Å; F196-I223 HydrophobicContact CZ-CG1 4.34Å; F196-I223 HydrophobicContact CZ-CG2 3.63Å; C211-I223 HydrophobicContact CB-CD1 4.14Å; L220-I223 HydrophobicContact CD2-CD1 4.11Å; L220-I223 PolarHBondContact O-N 3.04Å; S221-I223 PolarHBondContact O-N 2.89Å
224Q87.8Confident88.6Confident169 Ų16968.2 Ų68.279%0.7943%0.427SS*.  trans-106.10-173.3-68.1-173.2-17.400112.4K182 C183K182-Q224 CarbonylContact C-O 3.55Å; K182-Q224 WeakPolarHBondContact CA-O 3.35Å; K182-Q224 WeakPolarHBondContact CD-OXT 3.16Å; K182-Q224 WeakPolarHBondContact CE-OXT 3.01Å; K182-Q224 PolarHBondContact NZ-OXT 2.83Å; C183-Q224 PolarHBondContact N-O 3.15Å; C183-Q224 PolarHBondContact O-N 3Å

Retrieved 224 of 224 residues in 215.7 ms (Link to these results)

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