A0A061HWS9_CRIGR Loading...

ADP-ribosylation factor-like protein 8B

AlphaFold DB (Q66HA6), UniProt , Accession A0A061HWS9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Arl8b, Length 186 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
1M68.1Low78.6Confident194 Ų194116 Ų11696%0.95658%0.584SS**  0-52.70-158.5174.2-82.700112A3 L4 I5M1-A3 PolarHBondContact O-N 2.85Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-I5 HydrophobicContact CG-CD1 4.22Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.1Å
2L80.3Confident78.3Confident151 Ų151114 Ų11479%0.79157%0.569SS**Hα-helixtrans-53.8-43.7177.2-76.1156.8000114.3L4 I5 S6L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.05Å; L2-I5 PolarHBondContact O-N 3.31Å; L2-S6 WeakPolarHBondContact O-CB 3.46Å; L2-S6 PolarHBondContact O-N 3.05Å; L2-S6 PolarHBondContact O-OG 2.8Å
3A82.6Confident77.5Confident65 Ų65116.5 Ų116.554%0.53757%0.567SS.*Hα-helixtrans-65.7-27.7177.600000114.1M1 S6 R7M1-A3 PolarHBondContact O-N 2.85Å; A3-S6 WeakPolarHBondContact CA-OG 3.45Å; A3-S6 PolarHBondContact O-OG 3.38Å; A3-S6 VanDerWaalsContact O-OG 3.05Å; A3-R7 WeakPolarHBondContact O-CB 3.29Å; A3-R7 VanDerWaalsContact O-CG 3.25Å; A3-R7 WeakPolarHBondContact O-CG 3.37Å; A3-R7 PolarHBondContact O-N 2.8Å
4L83Confident76.8Confident123 Ų123112.6 Ų112.664%0.64456%0.558SS**Hα-helixtrans-75.9-44.1176-172.473.2000109.9M1 L2 R7 L8M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.26Å; L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.05Å; L4-R7 PolarHBondContact O-N 3.29Å; L4-L8 WeakPolarHBondContact O-CB 3.25Å; L4-L8 PolarHBondContact O-N 3.4Å
5I88.9Confident76.1Confident85 Ų85112.2 Ų112.244%0.43656%0.558SS.*Hα-helixtrans-63.6-42.3176.2-64170.1000110.5M1 L2 L8 L9M1-I5 HydrophobicContact CG-CD1 4.22Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.1Å; L2-I5 PolarHBondContact O-N 3.31Å; I5-L8 PolarHBondContact O-N 3.1Å; I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.21Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.27Å; I5-L9 PolarHBondContact O-N 3.36Å
6S76.8Confident75.5Confident52 Ų52115.7 Ų115.736%0.36457%0.569SS.*Hα-helixtrans-63.3-44.9177.268.90000111.6L2 A3 L8 L9 D10L2-S6 WeakPolarHBondContact O-CB 3.46Å; L2-S6 PolarHBondContact O-N 3.05Å; L2-S6 PolarHBondContact O-OG 2.8Å; A3-S6 WeakPolarHBondContact CA-OG 3.45Å; A3-S6 PolarHBondContact O-OG 3.38Å; A3-S6 VanDerWaalsContact O-OG 3.05Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.19Å; S6-L9 PolarHBondContact O-N 3.32Å; S6-D10 WeakPolarHBondContact O-CB 3.38Å; S6-D10 PolarHBondContact O-N 3.39Å
7R75.3Confident75.2Confident192 Ų192119.4 Ų119.473%0.72558%0.576SS**Hα-helixtrans-60.9-39.7174.2-76.4178.3-178.9-175.51112.4A3 L4 W11A3-R7 WeakPolarHBondContact O-CB 3.29Å; A3-R7 VanDerWaalsContact O-CG 3.25Å; A3-R7 WeakPolarHBondContact O-CG 3.37Å; A3-R7 PolarHBondContact O-N 2.8Å; L4-R7 PolarHBondContact O-N 3.29Å; R7-W11 VanDerWaalsContact O-CB 3.26Å; R7-W11 WeakPolarHBondContact O-CB 3.49Å; R7-W11 PolarHBondContact O-N 3.43Å
8L81.8Confident75.1Confident92 Ų92120.7 Ų120.748%0.48258%0.578SS.*Hα-helixtrans-68.4-41.4178.2-158.6117.2000111.1L4 I5 S6 W11 F12L4-L8 WeakPolarHBondContact O-CB 3.25Å; L4-L8 PolarHBondContact O-N 3.4Å; I5-L8 PolarHBondContact O-N 3.1Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.19Å; L8-W11 WeakPolarHBondContact O-CB 3.2Å; L8-W11 PolarHBondContact O-N 2.81Å; L8-F12 HydrophobicContact CD2-CD2 3.8Å; L8-F12 HydrophobicContact CD2-CE2 3.61Å; L8-F12 HydrophobicContact CG-CD2 4.16Å; L8-F12 HydrophobicContact CG-CE2 4.18Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.2Å; L8-F12 PolarHBondContact O-N 3.41Å
9L78.4Confident75.7Confident86 Ų86116.9 Ų116.945%0.4556%0.56SS.*Hα-helixtrans-66.8-39.9174.5-74.1172.3000112.1I5 S6 W11 F12 R13I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.21Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.27Å; I5-L9 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact O-N 3.32Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-F12 PolarHBondContact O-N 2.91Å; L9-R13 WeakPolarHBondContact O-CB 3.37Å; L9-R13 WeakPolarHBondContact O-CG 3.43Å; L9-R13 PolarHBondContact O-N 2.89Å
10D75.5Confident76.4Confident93 Ų93117.7 Ų117.750%0.49756%0.562SS.*Hα-helixtrans-66.1-39.2175.2-71.3-25.8000110.9S6 S14S6-D10 WeakPolarHBondContact O-CB 3.38Å; S6-D10 PolarHBondContact O-N 3.39Å; D10-S14 WeakPolarHBondContact O-CB 3.49Å; D10-S14 PolarHBondContact O-N 3.48Å
11W73.8Confident77.2Confident143 Ų143112.2 Ų112.254%0.54254%0.536SS..Hα-helixtrans-62.5-49.8171.3175.378.8000111.5R7 L8 L9 R13 S14 L15R7-W11 VanDerWaalsContact O-CB 3.26Å; R7-W11 WeakPolarHBondContact O-CB 3.49Å; R7-W11 PolarHBondContact O-N 3.43Å; L8-W11 WeakPolarHBondContact O-CB 3.2Å; L8-W11 PolarHBondContact O-N 2.81Å; L9-W11 VanDerWaalsContact C-N 3.33Å; W11-R13 PolarHBondContact O-N 2.89Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.16Å; W11-S14 VanDerWaalsContact O-N 3.13Å; W11-S14 PolarHBondContact O-OG 3.28Å; W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CE3-CD1 4.2Å; W11-L15 HydrophobicContact CH2-CD1 3.75Å; W11-L15 HydrophobicContact CZ2-CD1 3.77Å; W11-L15 HydrophobicContact CZ3-CD1 3.97Å; W11-L15 PolarHBondContact O-N 3.41Å; W11-L15 VanDerWaalsContact O-N 3.16Å
12F74.6Confident78.6Confident92 Ų92104.9 Ų104.940%0.40450%0.5SS..Hα-helixtrans-59.3-46.3175.6-95.4-70.1000112.2L8 L9 S14 L15 F16L8-F12 HydrophobicContact CD2-CD2 3.8Å; L8-F12 HydrophobicContact CD2-CE2 3.61Å; L8-F12 HydrophobicContact CG-CD2 4.16Å; L8-F12 HydrophobicContact CG-CE2 4.18Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.2Å; L8-F12 PolarHBondContact O-N 3.41Å; L9-F12 PolarHBondContact O-N 2.91Å; F12-S14 VanDerWaalsContact C-N 3.31Å; F12-S14 PolarHBondContact O-N 3.16Å; F12-L15 HydrophobicContact CD1-CD1 4.43Å; F12-L15 WeakPolarHBondContact O-CB 3.12Å; F12-L15 PolarHBondContact O-N 3.13Å; F12-L15 VanDerWaalsContact O-N 3.16Å; F12-F16 HydrophobicContact CD1-CE2 4.31Å; F12-F16 WeakPolarHBondContact O-CD2 3.26Å; F12-F16 PolarHBondContact O-N 2.84Å
13R68.4Low79.4Confident146 Ų14697.9 Ų97.955%0.55146%0.463SS*.Hα-helixtrans-56.3-48.4173.7-80174.8177.1179.5-1.4109.8L9 W11 L15 F16 W17L9-R13 WeakPolarHBondContact O-CB 3.37Å; L9-R13 WeakPolarHBondContact O-CG 3.43Å; L9-R13 PolarHBondContact O-N 2.89Å; W11-R13 PolarHBondContact O-N 2.89Å; R13-L15 PolarHBondContact O-N 3.12Å; R13-L15 VanDerWaalsContact O-N 3.12Å; R13-F16 PolarHBondContact O-N 3.45Å; R13-W17 PolarHBondContact O-N 2.76Å
14S68Low80.1Confident62 Ų6294.8 Ų94.843%0.43444%0.438SS..Hα-helixtrans-58.9-25.9-179.777.70000114D10 W11 F12D10-S14 WeakPolarHBondContact O-CB 3.49Å; D10-S14 PolarHBondContact O-N 3.48Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.16Å; W11-S14 VanDerWaalsContact O-N 3.13Å; W11-S14 PolarHBondContact O-OG 3.28Å; F12-S14 VanDerWaalsContact C-N 3.31Å; F12-S14 PolarHBondContact O-N 3.16Å
15L65.4Low80.9Confident107 Ų10789 Ų8956%0.5641%0.408SS*.Hα-helixtrans-71.7-29.6173.2-70.5167.3000113.1W11 F12 R13W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CE3-CD1 4.2Å; W11-L15 HydrophobicContact CH2-CD1 3.75Å; W11-L15 HydrophobicContact CZ2-CD1 3.77Å; W11-L15 HydrophobicContact CZ3-CD1 3.97Å; W11-L15 PolarHBondContact O-N 3.41Å; W11-L15 VanDerWaalsContact O-N 3.16Å; F12-L15 HydrophobicContact CD1-CD1 4.43Å; F12-L15 WeakPolarHBondContact O-CB 3.12Å; F12-L15 PolarHBondContact O-N 3.13Å; F12-L15 VanDerWaalsContact O-N 3.16Å; R13-L15 PolarHBondContact O-N 3.12Å; R13-L15 VanDerWaalsContact O-N 3.12Å
16F67.9Low81.3Confident168 Ų16885 Ų8574%0.73739%0.387SS*.Hα-helixtrans-98.7-24-178-65.9-70.3000113.9F12 R13F12-F16 HydrophobicContact CD1-CE2 4.31Å; F12-F16 WeakPolarHBondContact O-CD2 3.26Å; F12-F16 PolarHBondContact O-N 2.84Å; R13-F16 PolarHBondContact O-N 3.45Å
17W69.6Low82.4Confident179 Ų17982.5 Ų82.568%0.67837%0.37SS*.PPolyproline II helixtrans-82.9122.5179.6-66.2106.7000111.4R13R13-W17 PolarHBondContact O-N 2.76Å
18K74.1Confident83.5Confident143 Ų14373.9 Ų73.962%0.62234%0.338SS*.PPolyproline II helixtrans-78.3131.6165.1-65.8-178.7-179.3179.50108.7N64K18-N64 CarbonylContact C-O 3.56Å; K18-N64 WeakPolarHBondContact CA-O 3.46Å; K18-N64 WeakPolarHBondContact CB-O 3.18Å
19E85.3Confident84.2Confident49 Ų4972.4 Ų72.423%0.22933%0.328CS..EExtended strand (participates in β ladder)trans-78143172.1-66.2178.6168.800108.7N64 V65 T66 S181 K182E19-N64 PolarHBondContact N-O 2.64Å; E19-V65 HydrophobicContact CB-CG2 4.24Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.4Å; E19-T66 PolarHBondContact O-N 3.16Å; E19-S181 PolarHBondContact OE2-OG 2.83Å; E19-S181 VanDerWaalsContact OE2-OG 3.11Å; E19-K182 VanDerWaalsContact OE1-CE 3.24Å; E19-K182 WeakPolarHBondContact OE1-CE 3.45Å; E19-K182 WeakPolarHBondContact OE1-CG 3.26Å; E19-K182 WeakPolarHBondContact OE2-CE 3.24Å; E19-K182 WeakPolarHBondContact OE2-CG 3.44Å
20E89.4Confident85.1Confident131 Ų13174.3 Ų74.361%0.61233%0.33SS*.EExtended strand (participates in β ladder)trans-114.2132175-66.4-162.2150.300109.7T66E20-T66 WeakPolarHBondContact CA-O 3.35Å
21M94Very high86.1Confident3 Ų370 Ų702%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-121.6140175.7-172.3-172.1-155.900109.2L23 V65 T66 I67 K68 N90 A91 L177 H180M21-L23 HydrophobicContact CE-CD2 3.35Å; M21-L23 HydrophobicContact CE-CG 4.14Å; M21-L23 HydrophobicContact CG-CD2 4.22Å; M21-L23 HydrophobicContact CG-CG 4.15Å; M21-L23 HydrophobicContact SD-CD1 3.95Å; M21-L23 HydrophobicContact SD-CD2 3.71Å; M21-L23 HydrophobicContact SD-CG 3.79Å; M21-V65 HydrophobicContact CB-CG1 4.2Å; M21-T66 PolarHBondContact N-O 2.9Å; M21-I67 CarbonylContact O-C 3.59Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-I67 HydrophobicContact SD-CG2 4.43Å; M21-K68 PolarHBondContact O-N 2.91Å; M21-N90 WeakPolarHBondContact CA-OD1 3.49Å; M21-N90 HydrophobicContact CE-CB 3.67Å; M21-N90 HydrophobicContact CG-CB 3.67Å; M21-A91 HydrophobicContact CE-CB 4.27Å; M21-L177 HydrophobicContact CE-CB 4.36Å; M21-L177 HydrophobicContact CE-CD2 4.46Å; M21-L177 WeakPolarHBondContact CE-O 3.43Å; M21-L177 HydrophobicContact SD-CB 4.22Å; M21-H180 HydrophobicContact CE-CB 3.55Å
22E96.7Very high87.2Confident40 Ų4063.6 Ų63.619%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-113.2130.3169.8-167.3159.3-163.700109.9K68 W70 V89 N90E22-K68 CarbonylContact C-O 3.59Å; E22-K68 WeakPolarHBondContact CA-O 3.28Å; E22-K68 HydrophobicContact CG-CB 4.46Å; E22-K68 HydrophobicContact CG-CD 4.15Å; E22-K68 HydrophobicContact CG-CG 4.46Å; E22-K68 VanDerWaalsContact OE1-CE 3.28Å; E22-K68 WeakPolarHBondContact OE1-CE 3.4Å; E22-K68 IonicContact OE1-NZ 2.72Å; E22-K68 PolarHBondContact OE1-NZ 3.03Å; E22-K68 IonicContact OE2-NZ 3.73Å; E22-W70 PolarHBondContact OE1-NE1 2.83Å; E22-V89 HydrophobicContact CG-CG1 4.2Å; E22-V89 WeakPolarHBondContact O-CB 3.47Å; E22-N90 PolarHBondContact N-OD1 2.83Å; E22-N90 WeakPolarHBondContact O-CB 3.36Å; E22-N90 PolarHBondContact O-N 2.88Å; E22-N90 PolarHBondContact O-OD1 3.16Å
23L97.5Very high88.3Confident4 Ų459.8 Ų59.82%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-130.1148.6-179-64.6176000109.7M21 I67 K68 I69 W70 A91 L177M21-L23 HydrophobicContact CE-CD2 3.35Å; M21-L23 HydrophobicContact CE-CG 4.14Å; M21-L23 HydrophobicContact CG-CD2 4.22Å; M21-L23 HydrophobicContact CG-CG 4.15Å; M21-L23 HydrophobicContact SD-CD1 3.95Å; M21-L23 HydrophobicContact SD-CD2 3.71Å; M21-L23 HydrophobicContact SD-CG 3.79Å; L23-I67 HydrophobicContact CD1-CG2 3.38Å; L23-I67 HydrophobicContact CG-CG2 3.91Å; L23-K68 PolarHBondContact N-O 3.06Å; L23-I69 WeakPolarHBondContact O-CA 3.32Å; L23-W70 PolarHBondContact O-N 2.86Å; L23-A91 WeakPolarHBondContact CA-O 3.43Å; L23-A91 HydrophobicContact CD2-CB 3.68Å; L23-A91 WeakPolarHBondContact CD2-O 3.4Å; L23-L177 HydrophobicContact CD1-CD1 3.94Å; L23-L177 HydrophobicContact CD1-CD2 3.82Å; L23-L177 HydrophobicContact CD1-CG 4.32Å; L23-L177 HydrophobicContact CD2-CD2 3.86Å
24T98.5Very high89.7Confident0 Ų053.7 Ų53.70%025%0.249CC..EExtended strand (participates in β ladder)trans-120.6127.6168.3-70.40000110V26 W70 I72 Y85 C86 V89 A91 V93T24-V26 HydrophobicContact CG2-CG1 3.82Å; T24-W70 HydrophobicContact CG2-CB 4.39Å; T24-I72 HydrophobicContact CG2-CG1 3.94Å; T24-Y85 PolarHBondContact OG1-O 3.3Å; T24-C86 VanDerWaalsContact CG2-SG 3.52Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.3Å; T24-A91 PolarHBondContact N-O 2.98Å; T24-V93 PolarHBondContact O-N 3.5Å
25L98.6Very high91.1Very high3 Ų351.4 Ų51.42%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-104.3114.2-178.3-174.863.1000109.1K33 F36 V37 I69 W70 I72 V93 M95L25-K33 HydrophobicContact CD1-CG 4.25Å; L25-K33 HydrophobicContact CD2-CB 3.59Å; L25-K33 HydrophobicContact CD2-CG 4.13Å; L25-K33 WeakPolarHBondContact CD2-O 3.45Å; L25-K33 HydrophobicContact CG-CB 3.75Å; L25-K33 HydrophobicContact CG-CD 4.05Å; L25-K33 HydrophobicContact CG-CG 3.74Å; L25-F36 HydrophobicContact CD1-CD1 4.49Å; L25-F36 HydrophobicContact CD2-CD1 4.07Å; L25-V37 HydrophobicContact CD2-CG2 3.62Å; L25-I69 HydrophobicContact CB-CG2 4.28Å; L25-W70 PolarHBondContact N-O 3.45Å; L25-I72 PolarHBondContact O-N 3.27Å; L25-V93 WeakPolarHBondContact CA-O 3.34Å; L25-V93 HydrophobicContact CD1-CB 3.58Å; L25-V93 HydrophobicContact CD1-CG1 3.37Å; L25-M95 HydrophobicContact CD1-CB 4.26Å; L25-M95 HydrophobicContact CD1-CE 4.23Å
26V98.7Very high92.6Very high0 Ų046.6 Ų46.60%021%0.207CC..EExtended strand (participates in β ladder)trans-132.8169.4-173.8-75.30000110.9T24 K33 I72 W82 I92 V93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.82Å; V26-K33 VanDerWaalsContact C-CD 3.46Å; V26-K33 WeakPolarHBondContact O-CD 3.33Å; V26-I72 HydrophobicContact CG1-CB 4.23Å; V26-I72 HydrophobicContact CG1-CG1 4.18Å; V26-W82 HydrophobicContact CB-CD2 3.97Å; V26-W82 HydrophobicContact CB-CE3 4.23Å; V26-W82 HydrophobicContact CB-CG 4.23Å; V26-W82 HydrophobicContact CG1-CB 3.94Å; V26-W82 HydrophobicContact CG1-CD2 3.88Å; V26-W82 HydrophobicContact CG1-CG 3.6Å; V26-I92 HydrophobicContact CG2-CG2 3.66Å; V26-V93 PolarHBondContact N-O 3.22Å; V26-Y94 HydrophobicContact CG2-CD2 3.83Å; V26-Y94 WeakPolarHBondContact O-CA 3.32Å; V26-M95 PolarHBondContact O-N 2.83Å; V26-L114 HydrophobicContact CG2-CD2 3.89Å
27G98.7Very high93.9Very high0 Ų038.6 Ų38.60%017%0.172CC..  trans131.4168.7-172.900000111.8K33 G74 W82G27-K33 WeakPolarHBondContact O-CE 3.49Å; G27-K33 PolarHBondContact O-NZ 3.12Å; G27-G74 VanDerWaalsContact O-CA 3.23Å; G27-G74 WeakPolarHBondContact O-CA 3.18Å; G27-W82 WeakPolarHBondContact O-CZ2 3.22Å
28L98.5Very high95.2Very high10 Ų1031.4 Ų31.45%0.05215%0.147CC..SBendtrans-59.6159.1-174.3-53.4-174.5000112.8S31 K33 K103 A106 E110L28-S31 WeakPolarHBondContact O-CB 3.46Å; L28-S31 PolarHBondContact O-N 2.72Å; L28-S31 PolarHBondContact O-OG 2.7Å; L28-K33 PolarHBondContact O-NZ 3.4Å; L28-K103 HydrophobicContact CD1-CB 3.9Å; L28-K103 HydrophobicContact CD1-CD 4.29Å; L28-A106 HydrophobicContact CD1-CB 4.23Å; L28-E110 HydrophobicContact CD2-CB 4.43Å; L28-E110 HydrophobicContact CD2-CG 3.99Å
29Q96.9Very high96.2Very high61 Ų6125 Ų2529%0.28512%0.119SC..THydrogen-bonded Turntrans-58.7149.6171.859.3173.85.600110.9S31 G74 Q75Q29-S31 PolarHBondContact O-N 3.27Å; Q29-G74 PolarHBondContact N-O 2.87Å; Q29-Q75 HydrophobicContact CB-CG 4.38Å
30Y96.1Very high96.6Very high126 Ų12622.8 Ų22.849%0.49411%0.109SC..THydrogen-bonded Turntrans66.64.6-177.4-51.4-70.6000117.1G32 P51 K131Y30-G32 PolarHBondContact O-N 3.31Å; Y30-P51 HydrophobicContact CD1-CG 4.35Å; Y30-P51 HydrophobicContact CE1-CG 3.47Å; Y30-P51 VanDerWaalsContact CE1-CG 3.47Å; Y30-P51 HydrophobicContact CE2-CG 4.23Å; Y30-P51 VanDerWaalsContact OH-CG 3.26Å; Y30-P51 WeakPolarHBondContact OH-CG 3.5Å; Y30-K131 VanDerWaalsContact O-CE 3.32Å; Y30-K131 WeakPolarHBondContact O-CE 3.42Å; Y30-K131 PolarHBondContact O-NZ 2.71Å
31S97.4Very high96.8Very high2 Ų218.7 Ų18.71%0.01410%0.097CC..SBendtrans-70.1-14.6175.467.30000114.7L28 Q29 M95 N130L28-S31 WeakPolarHBondContact O-CB 3.46Å; L28-S31 PolarHBondContact O-N 2.72Å; L28-S31 PolarHBondContact O-OG 2.7Å; Q29-S31 PolarHBondContact O-N 3.27Å; S31-M95 WeakPolarHBondContact CB-O 3.44Å; S31-M95 VanDerWaalsContact O-CG 3.28Å; S31-M95 WeakPolarHBondContact O-CG 3.47Å; S31-M95 WeakPolarHBondContact OG-CG 3.5Å; S31-M95 PolarHBondContact OG-O 3.18Å; S31-N130 PolarHBondContact O-ND2 3.3Å
32G97.6Very high96.6Very high10 Ų1021.7 Ų21.710%0.10312%0.119CC..SBendtrans10021.7176.100000115.4Y30 T35 F36Y30-G32 PolarHBondContact O-N 3.31Å; G32-T35 WeakPolarHBondContact O-CB 3.35Å; G32-T35 PolarHBondContact O-N 2.8Å; G32-F36 WeakPolarHBondContact O-CB 3.23Å; G32-F36 PolarHBondContact O-N 2.83Å
33K97.7Very high96.2Very high11 Ų1121 Ų215%0.04812%0.123CC..Hα-helixtrans-54.7-59177.1-65.9-174.6-61.5-66.50113.4L25 V26 G27 L28 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CD1-CG 4.25Å; L25-K33 HydrophobicContact CD2-CB 3.59Å; L25-K33 HydrophobicContact CD2-CG 4.13Å; L25-K33 WeakPolarHBondContact CD2-O 3.45Å; L25-K33 HydrophobicContact CG-CB 3.75Å; L25-K33 HydrophobicContact CG-CD 4.05Å; L25-K33 HydrophobicContact CG-CG 3.74Å; V26-K33 VanDerWaalsContact C-CD 3.46Å; V26-K33 WeakPolarHBondContact O-CD 3.33Å; G27-K33 WeakPolarHBondContact O-CE 3.49Å; G27-K33 PolarHBondContact O-NZ 3.12Å; L28-K33 PolarHBondContact O-NZ 3.4Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.46Å; K33-F36 WeakPolarHBondContact O-CB 3.4Å; K33-F36 PolarHBondContact O-N 3.25Å; K33-F36 VanDerWaalsContact O-N 3.11Å; K33-V37 PolarHBondContact O-N 3.36Å; K33-D71 WeakPolarHBondContact CB-OD1 3.36Å; K33-I72 WeakPolarHBondContact CE-O 3.31Å; K33-M95 HydrophobicContact CD-CB 4.43Å; K33-M95 HydrophobicContact CG-CB 3.6Å; K33-M95 HydrophobicContact CG-CG 4.03Å
34T96.6Very high95.9Very high19 Ų1927.4 Ų27.412%0.11715%0.153CC..Hα-helixtrans-62.9-35.2179.5-46.90000111.9V37 N38 M49 T52 D71T34-V37 PolarHBondContact O-N 3.25Å; T34-N38 PolarHBondContact O-N 3.3Å; T34-M49 HydrophobicContact CG2-CE 3.93Å; T34-M49 HydrophobicContact CG2-SD 3.72Å; T34-T52 PolarHBondContact OG1-OG1 3.46Å; T34-D71 WeakPolarHBondContact CA-OD2 3.43Å; T34-D71 VanDerWaalsContact CB-OD2 3.31Å; T34-D71 WeakPolarHBondContact CB-OD2 3.5Å; T34-D71 PolarHBondContact OG1-OD2 3.48Å
35T97.2Very high95.4Very high14 Ų1431 Ų319%0.08617%0.169CC..Hα-helixtrans-61-46.8172.8-49.50000111.4G32 K33 V37 N38 V39 F45 C164G32-T35 WeakPolarHBondContact O-CB 3.35Å; G32-T35 PolarHBondContact O-N 2.8Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.46Å; T35-V37 VanDerWaalsContact C-N 3.32Å; T35-V37 PolarHBondContact O-N 2.81Å; T35-N38 WeakPolarHBondContact O-CB 3.3Å; T35-N38 PolarHBondContact O-N 2.9Å; T35-N38 VanDerWaalsContact O-N 3.14Å; T35-V39 HydrophobicContact CG2-CG2 4.41Å; T35-V39 VanDerWaalsContact O-CG2 3.3Å; T35-V39 WeakPolarHBondContact O-CG2 3.35Å; T35-V39 PolarHBondContact O-N 2.63Å; T35-F45 HydrophobicContact CG2-CD2 3.47Å; T35-F45 VanDerWaalsContact CG2-CD2 3.47Å; T35-F45 HydrophobicContact CG2-CE2 3.66Å; T35-C164 HydrophobicContact CG2-CB 3.77Å
36F97.7Very high94.8Very high5 Ų533.8 Ų33.82%0.02219%0.188CC..Hα-helixtrans-57.7-45.2175.3178.4-103.9000111.3L25 G32 K33 N38 V39 I40 M95 L128 I162 I170 T173L25-F36 HydrophobicContact CD1-CD1 4.49Å; L25-F36 HydrophobicContact CD2-CD1 4.07Å; G32-F36 WeakPolarHBondContact O-CB 3.23Å; G32-F36 PolarHBondContact O-N 2.83Å; K33-F36 WeakPolarHBondContact O-CB 3.4Å; K33-F36 PolarHBondContact O-N 3.25Å; K33-F36 VanDerWaalsContact O-N 3.11Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-N38 PolarHBondContact O-N 3.21Å; F36-V39 PolarHBondContact O-N 3.11Å; F36-I40 HydrophobicContact CD1-CD1 4.24Å; F36-I40 HydrophobicContact CD2-CG2 4.29Å; F36-I40 HydrophobicContact CE1-CD1 3.93Å; F36-I40 HydrophobicContact CE1-CG2 4.17Å; F36-I40 HydrophobicContact CE2-CG2 3.87Å; F36-I40 HydrophobicContact CZ-CG2 3.8Å; F36-I40 WeakPolarHBondContact O-CG1 3.44Å; F36-I40 WeakPolarHBondContact O-CG2 3.44Å; F36-I40 PolarHBondContact O-N 2.96Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 4.26Å; F36-M95 HydrophobicContact CD2-CE 4.14Å; F36-M95 HydrophobicContact CG-CE 3.74Å; F36-L128 HydrophobicContact CD2-CD1 4.43Å; F36-L128 HydrophobicContact CE1-CD1 4.41Å; F36-L128 HydrophobicContact CE2-CD1 4.04Å; F36-L128 HydrophobicContact CZ-CD1 4.03Å; F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.27Å; F36-I170 HydrophobicContact CD2-CD1 4.12Å; F36-I170 HydrophobicContact CE2-CD1 4.07Å; F36-T173 HydrophobicContact CE2-CG2 3.85Å; F36-T173 HydrophobicContact CZ-CG2 3.65Å
37V96.1Very high93.8Very high1 Ų140.8 Ų40.81%0.00622%0.221CC..Hα-helixtrans-60.2-41.5175.9-179.30000112L25 K33 T34 T35 I40 A41 R58 I69 D71L25-V37 HydrophobicContact CD2-CG2 3.62Å; K33-V37 PolarHBondContact O-N 3.36Å; T34-V37 PolarHBondContact O-N 3.25Å; T35-V37 VanDerWaalsContact C-N 3.32Å; T35-V37 PolarHBondContact O-N 2.81Å; V37-I40 VanDerWaalsContact O-CG1 3.29Å; V37-I40 WeakPolarHBondContact O-CG1 3.31Å; V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.05Å; V37-R58 HydrophobicContact CG1-CB 4.1Å; V37-R58 HydrophobicContact CG1-CG 4.25Å; V37-I69 HydrophobicContact CG2-CG2 3.99Å; V37-D71 HydrophobicContact CG2-CB 4.32Å
38N95.1Very high93Very high28 Ų2847.9 Ų47.915%0.1526%0.259CS..Hα-helixtrans-64.4-45.2175.8-70.7-14000111.8T34 T35 F36 I40 A41 S42 G43 M49 R58T34-N38 PolarHBondContact O-N 3.3Å; T35-N38 WeakPolarHBondContact O-CB 3.3Å; T35-N38 PolarHBondContact O-N 2.9Å; T35-N38 VanDerWaalsContact O-N 3.14Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-N38 PolarHBondContact O-N 3.21Å; N38-I40 PolarHBondContact O-N 3.34Å; N38-A41 PolarHBondContact O-N 3.35Å; N38-S42 PolarHBondContact O-N 3.26Å; N38-S42 PolarHBondContact O-OG 3.15Å; N38-G43 PolarHBondContact O-N 3.03Å; N38-M49 WeakPolarHBondContact ND2-CE 3.32Å; N38-R58 PolarHBondContact OD1-NH1 2.9Å
39V95.8Very high92.3Very high8 Ų850.1 Ų50.15%0.04827%0.269CS..Hα-helixtrans-63.4-44.6-178.8170.20000110.9T35 F36 A41 G43 C164 K167 I170T35-V39 HydrophobicContact CG2-CG2 4.41Å; T35-V39 VanDerWaalsContact O-CG2 3.3Å; T35-V39 WeakPolarHBondContact O-CG2 3.35Å; T35-V39 PolarHBondContact O-N 2.63Å; F36-V39 PolarHBondContact O-N 3.11Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-G43 WeakPolarHBondContact O-CA 3.44Å; V39-G43 PolarHBondContact O-N 3.25Å; V39-C164 HydrophobicContact CG2-CB 4.16Å; V39-C164 WeakPolarHBondContact CG2-O 3.46Å; V39-K167 HydrophobicContact CG1-CG 4.3Å; V39-I170 HydrophobicContact CG1-CD1 4.46Å; V39-I170 HydrophobicContact CG1-CG1 4.28Å; V39-I170 HydrophobicContact CG1-CG2 4.32Å
40I94.2Very high91.8Very high2 Ų253.9 Ų53.91%0.0129%0.29CS..Hα-helixtrans-70.9-31.8175.868.5-176.6000111.6F36 V37 N38 V60 K62 I69 I170 L174F36-I40 HydrophobicContact CD1-CD1 4.24Å; F36-I40 HydrophobicContact CD2-CG2 4.29Å; F36-I40 HydrophobicContact CE1-CD1 3.93Å; F36-I40 HydrophobicContact CE1-CG2 4.17Å; F36-I40 HydrophobicContact CE2-CG2 3.87Å; F36-I40 HydrophobicContact CZ-CG2 3.8Å; F36-I40 WeakPolarHBondContact O-CG1 3.44Å; F36-I40 WeakPolarHBondContact O-CG2 3.44Å; F36-I40 PolarHBondContact O-N 2.96Å; V37-I40 VanDerWaalsContact O-CG1 3.29Å; V37-I40 WeakPolarHBondContact O-CG1 3.31Å; N38-I40 PolarHBondContact O-N 3.34Å; I40-V60 HydrophobicContact CG1-CG1 4.4Å; I40-V60 HydrophobicContact CG1-CG2 4.29Å; I40-V60 WeakPolarHBondContact O-CG1 3.23Å; I40-K62 WeakPolarHBondContact O-CE 3.34Å; I40-K62 PolarHBondContact O-NZ 3.06Å; I40-I69 HydrophobicContact CD1-CD1 3.27Å; I40-I69 HydrophobicContact CG1-CD1 4.44Å; I40-I170 HydrophobicContact CG2-CG2 4.14Å; I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.38Å; I40-L174 HydrophobicContact CG2-CD2 3.98Å; I40-L174 HydrophobicContact CG2-CG 4.34Å
41A92.3Very high91.3Very high45 Ų4549.4 Ų49.437%0.37228%0.277SS..Hα-helixtrans-73.8-52.6-178.500000112.9V37 N38 V39 V60V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.05Å; N38-A41 PolarHBondContact O-N 3.35Å; V39-A41 VanDerWaalsContact C-N 3.34Å; A41-V60 HydrophobicContact CB-CG2 3.77Å
42S90.4Very high90.8Very high66 Ų6650.8 Ų50.846%0.46229%0.285SS..Hα-helixtrans-124.9-3.3-17161.70000113.9N38 Q44N38-S42 PolarHBondContact O-N 3.26Å; N38-S42 PolarHBondContact O-OG 3.15Å; S42-Q44 PolarHBondContact O-N 3.16Å; S42-Q44 WeakPolarHBondContact OG-CB 3.29Å; S42-Q44 PolarHBondContact OG-N 3.46Å; S42-Q44 PolarHBondContact OG-OE1 3.23Å
43G89.5Confident90.3Very high27 Ų2755.3 Ų55.328%0.27831%0.311SS..SBendtrans69.67.6-172.700000113.5N38 V39 K167N38-G43 PolarHBondContact O-N 3.03Å; V39-G43 WeakPolarHBondContact O-CA 3.44Å; V39-G43 PolarHBondContact O-N 3.25Å; G43-K167 WeakPolarHBondContact O-CE 3.48Å; G43-K167 PolarHBondContact O-NZ 2.72Å
44Q89.6Confident90Very high137 Ų13755.5 Ų55.564%0.6432%0.315SS*.  trans-93.1135.5-178.4-65.7174.3-25.400110.7S42S42-Q44 PolarHBondContact O-N 3.16Å; S42-Q44 WeakPolarHBondContact OG-CB 3.29Å; S42-Q44 PolarHBondContact OG-N 3.46Å; S42-Q44 PolarHBondContact OG-OE1 3.23Å
45F89Confident89.9Confident77 Ų7759.1 Ų59.134%0.33833%0.329SS..  trans-107.9143.6169.9173.5-99.8000108.8T35 E47 K165T35-F45 HydrophobicContact CG2-CD2 3.47Å; T35-F45 VanDerWaalsContact CG2-CD2 3.47Å; T35-F45 HydrophobicContact CG2-CE2 3.66Å; F45-E47 HydrophobicContact CD1-CG 4.33Å; F45-E47 HydrophobicContact CE1-CB 4.41Å; F45-E47 HydrophobicContact CE1-CG 3.43Å; F45-E47 VanDerWaalsContact CE1-CG 3.43Å; F45-E47 HydrophobicContact CZ-CG 4.08Å; F45-K165 HydrophobicContact CD1-CG 4.17Å; F45-K165 HydrophobicContact CD2-CB 4.19Å; F45-K165 HydrophobicContact CE1-CB 4.25Å; F45-K165 HydrophobicContact CE1-CD 4.28Å; F45-K165 HydrophobicContact CE1-CG 3.78Å; F45-K165 HydrophobicContact CE2-CB 3.85Å; F45-K165 HydrophobicContact CE2-CG 4.3Å; F45-K165 HydrophobicContact CZ-CB 3.89Å; F45-K165 HydrophobicContact CZ-CD 4.27Å; F45-K165 HydrophobicContact CZ-CG 3.87Å
46S86.6Confident89.7Confident61 Ų6161.3 Ų61.343%0.42734%0.341SS..  trans-134.7128.9174.6177.50000107.5
47E77.7Confident89.6Confident147 Ų14764.7 Ų64.769%0.68736%0.357SS*.SBendtrans-69-44.4-176.2-73.5-177.9170.500111.6F45 M49F45-E47 HydrophobicContact CD1-CG 4.33Å; F45-E47 HydrophobicContact CE1-CB 4.41Å; F45-E47 HydrophobicContact CE1-CG 3.43Å; F45-E47 VanDerWaalsContact CE1-CG 3.43Å; F45-E47 HydrophobicContact CZ-CG 4.08Å; E47-M49 PolarHBondContact O-N 3.45Å; E47-M49 VanDerWaalsContact O-N 3.1Å
48D80.2Confident89.6Confident148 Ų14869 Ų6979%0.79137%0.374SS*.  trans-90.766.8-171.8-63.5-45.1000113.4
49M85.6Confident89.6Confident57 Ų5773.6 Ų73.628%0.28139%0.392SS..PPolyproline II helixtrans-82.8123176.7-167.967.371.500112.7T34 N38 E47T34-M49 HydrophobicContact CG2-CE 3.93Å; T34-M49 HydrophobicContact CG2-SD 3.72Å; N38-M49 WeakPolarHBondContact ND2-CE 3.32Å; E47-M49 PolarHBondContact O-N 3.45Å; E47-M49 VanDerWaalsContact O-N 3.1Å
50I85.7Confident89.4Confident140 Ų14073.5 Ų73.572%0.71839%0.392SS*.PPolyproline II helixtrans-81.9140.4174.1-59.4172.5000110T52I50-T52 PolarHBondContact O-N 3.22Å
51P85.6Confident89.2Confident33 Ų3377 Ų7721%0.21441%0.414CS..PPolyproline II helixtrans-55.7130.1175.8-28.636.5000113.9Y30 V53 Q75Y30-P51 HydrophobicContact CD1-CG 4.35Å; Y30-P51 HydrophobicContact CE1-CG 3.47Å; Y30-P51 VanDerWaalsContact CE1-CG 3.47Å; Y30-P51 HydrophobicContact CE2-CG 4.23Å; Y30-P51 VanDerWaalsContact OH-CG 3.26Å; Y30-P51 WeakPolarHBondContact OH-CG 3.5Å; P51-V53 PolarHBondContact O-N 2.93Å; P51-Q75 VanDerWaalsContact CB-NE2 3.33Å
52T87.1Confident88.9Confident30 Ų3078.1 Ų78.118%0.18441%0.41CS..PPolyproline II helixtrans-61.6129.9177.3-51.50000112.1T34 I50T34-T52 PolarHBondContact OG1-OG1 3.46Å; I50-T52 PolarHBondContact O-N 3.22Å
53V86.6Confident88.6Confident106 Ų10678.6 Ų78.664%0.64243%0.425SS*.PPolyproline II helixtrans-91.8118.1172.8176.70000108.3P51 F55 F78P51-V53 PolarHBondContact O-N 2.93Å; V53-F55 PolarHBondContact O-N 3.09Å; V53-F78 HydrophobicContact CB-CZ 4.34Å; V53-F78 HydrophobicContact CG1-CZ 3.85Å
54G92.4Very high88.3Confident14 Ų1481 Ų8114%0.14443%0.432CS..SBendtrans75.2-112.917900000112.8G73 F78G54-G73 PolarHBondContact O-N 3.12Å; G54-F78 VanDerWaalsContact N-CZ 3.26Å
55F93.3Very high88.3Confident95 Ų9574.5 Ų74.542%0.41740%0.401SS..EExtended strand (participates in β ladder)trans-147.7156.7-178.864.3-87.1000110.9V53 W70 D71 I72 Y85V53-F55 PolarHBondContact O-N 3.09Å; F55-W70 AromaticContact CD2-CE3 3.92Å; F55-W70 HydrophobicContact CD2-CE3 3.92Å; F55-W70 AromaticContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CE2-CE3 4.44Å; F55-W70 AromaticContact CE2-CZ3 3.78Å; F55-W70 HydrophobicContact CE2-CZ3 3.78Å; F55-D71 CarbonylContact C-O 3.5Å; F55-D71 VanDerWaalsContact CA-O 3.32Å; F55-D71 WeakPolarHBondContact CA-O 3.41Å; F55-I72 HydrophobicContact CB-CD1 3.48Å; F55-I72 VanDerWaalsContact CB-CD1 3.48Å; F55-Y85 HydrophobicContact CD1-CE2 4.16Å; F55-Y85 AromaticContact CD1-CZ 3.74Å; F55-Y85 VanDerWaalsContact CD1-OH 3.23Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.49Å; F55-Y85 AromaticContact CD2-CE1 3.99Å; F55-Y85 HydrophobicContact CD2-CE1 3.99Å; F55-Y85 AromaticContact CE1-CZ 3.93Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 HydrophobicContact CE2-CE1 4.24Å; F55-Y85 HydrophobicContact CG-CE1 4.15Å; F55-Y85 HydrophobicContact CG-CE2 4.36Å; F55-Y85 AromaticContact CG-CZ 3.81Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.35Å
56N94.4Very high88.5Confident61 Ų6171.8 Ų71.833%0.32639%0.391SS..EExtended strand (participates in β ladder)trans-136.2139172.6-178.954.7000110.5R58 D71N56-R58 VanDerWaalsContact ND2-CG 3.32Å; N56-R58 WeakPolarHBondContact ND2-CG 2.97Å; N56-R58 PolarHBondContact ND2-NE 3.07Å; N56-D71 PolarHBondContact N-O 3.3Å; N56-D71 PolarHBondContact O-N 2.89Å
57M95.4Very high88.9Confident75 Ų7568.9 Ų68.937%0.36937%0.371SS..EExtended strand (participates in β ladder)trans-103.6130.5174.9-170.5-142.962.800109.7K59 K68 I69 W70M57-K59 HydrophobicContact CE-CG 4.48Å; M57-K68 HydrophobicContact CG-CG 4.05Å; M57-K68 HydrophobicContact SD-CD 4.31Å; M57-K68 HydrophobicContact SD-CG 4.09Å; M57-I69 WeakPolarHBondContact CA-O 3.14Å; M57-W70 HydrophobicContact CB-CD2 4.35Å; M57-W70 HydrophobicContact CB-CE3 3.75Å; M57-W70 HydrophobicContact CB-CH2 4.05Å; M57-W70 HydrophobicContact CB-CZ3 3.59Å; M57-W70 HydrophobicContact CG-CD2 4.22Å; M57-W70 HydrophobicContact CG-CE3 4.11Å; M57-W70 HydrophobicContact CG-CH2 4.08Å; M57-W70 HydrophobicContact CG-CZ2 4.19Å; M57-W70 HydrophobicContact CG-CZ3 4.04Å
58R95Very high89.8Confident92 Ų9264.5 Ų64.535%0.34735%0.35SS..EExtended strand (participates in β ladder)trans-130147.8169.4-65-160.8-176.7171.23.1111.7V37 N38 N56 I69V37-R58 HydrophobicContact CG1-CB 4.1Å; V37-R58 HydrophobicContact CG1-CG 4.25Å; N38-R58 PolarHBondContact OD1-NH1 2.9Å; N56-R58 VanDerWaalsContact ND2-CG 3.32Å; N56-R58 WeakPolarHBondContact ND2-CG 2.97Å; N56-R58 PolarHBondContact ND2-NE 3.07Å; R58-I69 PolarHBondContact N-O 3.28Å; R58-I69 PolarHBondContact O-N 2.64Å
59K94.7Very high90.6Very high124 Ų12457.7 Ų57.754%0.53931%0.313SS..EExtended strand (participates in β ladder)trans-107129.8169.1-69.1-171.1176.8-167.70108.9M57 T66 I67 K68M57-K59 HydrophobicContact CE-CG 4.48Å; K59-T66 HydrophobicContact CB-CG2 4.31Å; K59-T66 HydrophobicContact CD-CG2 4.3Å; K59-I67 CarbonylContact C-O 3.46Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.42Å; K59-K68 HydrophobicContact CG-CB 4.46Å
60V93Very high91.2Very high6 Ų657.1 Ų57.14%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-125.5123.3177.2179.40000108.1I40 A41 K62 I67 I69I40-V60 HydrophobicContact CG1-CG1 4.4Å; I40-V60 HydrophobicContact CG1-CG2 4.29Å; I40-V60 WeakPolarHBondContact O-CG1 3.23Å; A41-V60 HydrophobicContact CB-CG2 3.77Å; V60-K62 HydrophobicContact CG1-CG 4.26Å; V60-I67 PolarHBondContact N-O 3.25Å; V60-I67 PolarHBondContact O-N 2.78Å; V60-I69 HydrophobicContact CG2-CD1 4.25Å
61T90.3Very high91.8Very high77 Ų7750.6 Ų50.647%0.47227%0.274SS..EExtended strand (participates in β ladder)trans-97.4124176.2-58.20000109.8V65 T66T61-V65 CarbonylContact C-O 3.52Å; T61-V65 WeakPolarHBondContact CA-O 3.38Å; T61-T66 PolarHBondContact OG1-OG1 3.3Å
62K85.1Confident92.3Very high67 Ų6749 Ų4929%0.29126%0.264SS..EExtended strand (participates in β ladder)trans-125.7112.8173.4-68.2-62.9-175.6-172.80108.6I40 V60 N64 V65 L174 I178I40-K62 WeakPolarHBondContact O-CE 3.34Å; I40-K62 PolarHBondContact O-NZ 3.06Å; V60-K62 HydrophobicContact CG1-CG 4.26Å; K62-N64 PolarHBondContact O-N 2.76Å; K62-V65 PolarHBondContact N-O 2.78Å; K62-V65 PolarHBondContact O-N 2.85Å; K62-L174 HydrophobicContact CD-CD1 4.42Å; K62-L174 HydrophobicContact CG-CD1 4.45Å; K62-L174 HydrophobicContact CG-CD2 4.49Å; K62-I178 HydrophobicContact CB-CD1 4.3Å
63G83.7Confident92.8Very high76 Ų7647.6 Ų47.678%0.78426%0.256SS*.THydrogen-bonded Turntrans59.4-125.2-173.100000111.5
64N84.1Confident93.2Very high79 Ų7942.8 Ų42.842%0.42223%0.227SC..THydrogen-bonded Turntrans-90.33.1176.968.4-32.6000113.8K18 E19 K62K18-N64 CarbonylContact C-O 3.56Å; K18-N64 WeakPolarHBondContact CA-O 3.46Å; K18-N64 WeakPolarHBondContact CB-O 3.18Å; E19-N64 PolarHBondContact N-O 2.64Å; K62-N64 PolarHBondContact O-N 2.76Å
65V88.4Confident93.4Very high0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-105127.7-178.7-170.80000110.6E19 M21 T61 K62 I67 I178E19-V65 HydrophobicContact CB-CG2 4.24Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.4Å; M21-V65 HydrophobicContact CB-CG1 4.2Å; T61-V65 CarbonylContact C-O 3.52Å; T61-V65 WeakPolarHBondContact CA-O 3.38Å; K62-V65 PolarHBondContact N-O 2.78Å; K62-V65 PolarHBondContact O-N 2.85Å; V65-I67 HydrophobicContact CG1-CG1 4.01Å; V65-I178 HydrophobicContact CB-CG1 4.49Å; V65-I178 HydrophobicContact CG2-CG1 4.27Å; V65-I178 HydrophobicContact CG2-CG2 3.96Å
66T92.9Very high93.6Very high19 Ų1943.2 Ų43.212%0.11724%0.235CC..EExtended strand (participates in β ladder)trans-100.2115.6167.2-60.40000109.4E19 E20 M21 K59 T61E19-T66 PolarHBondContact O-N 3.16Å; E20-T66 WeakPolarHBondContact CA-O 3.35Å; M21-T66 PolarHBondContact N-O 2.9Å; K59-T66 HydrophobicContact CB-CG2 4.31Å; K59-T66 HydrophobicContact CD-CG2 4.3Å; T61-T66 PolarHBondContact OG1-OG1 3.3Å
67I95.3Very high93.7Very high1 Ų148 Ų481%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-99.8112.6-176.7-48.5175.8000108.4M21 L23 K59 V60 V65 I69 L174M21-I67 CarbonylContact O-C 3.59Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-I67 HydrophobicContact SD-CG2 4.43Å; L23-I67 HydrophobicContact CD1-CG2 3.38Å; L23-I67 HydrophobicContact CG-CG2 3.91Å; K59-I67 CarbonylContact C-O 3.46Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.42Å; V60-I67 PolarHBondContact N-O 3.25Å; V60-I67 PolarHBondContact O-N 2.78Å; V65-I67 HydrophobicContact CG1-CG1 4.01Å; I67-I69 HydrophobicContact CB-CG1 4.4Å; I67-I69 HydrophobicContact CG2-CD1 3.98Å; I67-I69 HydrophobicContact CG2-CG1 3.61Å; I67-L174 HydrophobicContact CD1-CD2 4.42Å
68K96.2Very high93.7Very high55 Ų5545.5 Ų45.524%0.23924%0.235CC..EExtended strand (participates in β ladder)trans-87118.5169.5-177.4-174.5174.1-158.50108.7M21 E22 L23 M57 K59M21-K68 PolarHBondContact O-N 2.91Å; E22-K68 CarbonylContact C-O 3.59Å; E22-K68 WeakPolarHBondContact CA-O 3.28Å; E22-K68 HydrophobicContact CG-CB 4.46Å; E22-K68 HydrophobicContact CG-CD 4.15Å; E22-K68 HydrophobicContact CG-CG 4.46Å; E22-K68 VanDerWaalsContact OE1-CE 3.28Å; E22-K68 WeakPolarHBondContact OE1-CE 3.4Å; E22-K68 IonicContact OE1-NZ 2.72Å; E22-K68 PolarHBondContact OE1-NZ 3.03Å; E22-K68 IonicContact OE2-NZ 3.73Å; L23-K68 PolarHBondContact N-O 3.06Å; M57-K68 HydrophobicContact CG-CG 4.05Å; M57-K68 HydrophobicContact SD-CD 4.31Å; M57-K68 HydrophobicContact SD-CG 4.09Å; K59-K68 HydrophobicContact CG-CB 4.46Å
69I98.2Very high93.8Very high5 Ų543.3 Ų43.33%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-118.6123.5-173.1-53.1175.1000109L23 L25 V37 I40 M57 R58 V60 I67L23-I69 WeakPolarHBondContact O-CA 3.32Å; L25-I69 HydrophobicContact CB-CG2 4.28Å; V37-I69 HydrophobicContact CG2-CG2 3.99Å; I40-I69 HydrophobicContact CD1-CD1 3.27Å; I40-I69 HydrophobicContact CG1-CD1 4.44Å; M57-I69 WeakPolarHBondContact CA-O 3.14Å; R58-I69 PolarHBondContact N-O 3.28Å; R58-I69 PolarHBondContact O-N 2.64Å; V60-I69 HydrophobicContact CG2-CD1 4.25Å; I67-I69 HydrophobicContact CB-CG1 4.4Å; I67-I69 HydrophobicContact CG2-CD1 3.98Å; I67-I69 HydrophobicContact CG2-CG1 3.61Å
70W98.1Very high93.8Very high44 Ų4442.4 Ų42.417%0.16724%0.236CC..EExtended strand (participates in β ladder)trans-92.3106.8166.4-63.4103000109.7E22 L23 T24 L25 F55 M57 I72 Y85E22-W70 PolarHBondContact OE1-NE1 2.83Å; L23-W70 PolarHBondContact O-N 2.86Å; T24-W70 HydrophobicContact CG2-CB 4.39Å; L25-W70 PolarHBondContact N-O 3.45Å; F55-W70 AromaticContact CD2-CE3 3.92Å; F55-W70 HydrophobicContact CD2-CE3 3.92Å; F55-W70 AromaticContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CE2-CE3 4.44Å; F55-W70 AromaticContact CE2-CZ3 3.78Å; F55-W70 HydrophobicContact CE2-CZ3 3.78Å; M57-W70 HydrophobicContact CB-CD2 4.35Å; M57-W70 HydrophobicContact CB-CE3 3.75Å; M57-W70 HydrophobicContact CB-CH2 4.05Å; M57-W70 HydrophobicContact CB-CZ3 3.59Å; M57-W70 HydrophobicContact CG-CD2 4.22Å; M57-W70 HydrophobicContact CG-CE3 4.11Å; M57-W70 HydrophobicContact CG-CH2 4.08Å; M57-W70 HydrophobicContact CG-CZ2 4.19Å; M57-W70 HydrophobicContact CG-CZ3 4.04Å; W70-I72 HydrophobicContact CB-CD1 3.94Å; W70-Y85 HydrophobicContact CB-CD1 4.37Å; W70-Y85 AromaticContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CE1 4.13Å; W70-Y85 AromaticContact CE3-CD1 3.77Å; W70-Y85 HydrophobicContact CE3-CD1 3.77Å; W70-Y85 AromaticContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CG-CD1 4.04Å; W70-Y85 HydrophobicContact CH2-CE1 4.33Å; W70-Y85 HydrophobicContact CZ3-CD1 4.3Å; W70-Y85 AromaticContact CZ3-CE1 3.81Å; W70-Y85 HydrophobicContact CZ3-CE1 3.81Å
71D97.7Very high93.9Very high3 Ų344.3 Ų44.32%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-89.6110.2172.9179.221.8000109.2K33 T34 V37 F55 N56K33-D71 WeakPolarHBondContact CB-OD1 3.36Å; T34-D71 WeakPolarHBondContact CA-OD2 3.43Å; T34-D71 VanDerWaalsContact CB-OD2 3.31Å; T34-D71 WeakPolarHBondContact CB-OD2 3.5Å; T34-D71 PolarHBondContact OG1-OD2 3.48Å; V37-D71 HydrophobicContact CG2-CB 4.32Å; F55-D71 CarbonylContact C-O 3.5Å; F55-D71 VanDerWaalsContact CA-O 3.32Å; F55-D71 WeakPolarHBondContact CA-O 3.41Å; N56-D71 PolarHBondContact N-O 3.3Å; N56-D71 PolarHBondContact O-N 2.89Å
72I97.3Very high94.3Very high0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-104.8140.3-173.9-43.9-60.2000111T24 L25 V26 K33 F55 W70 G74 Y85T24-I72 HydrophobicContact CG2-CG1 3.94Å; L25-I72 PolarHBondContact O-N 3.27Å; V26-I72 HydrophobicContact CG1-CB 4.23Å; V26-I72 HydrophobicContact CG1-CG1 4.18Å; K33-I72 WeakPolarHBondContact CE-O 3.31Å; F55-I72 HydrophobicContact CB-CD1 3.48Å; F55-I72 VanDerWaalsContact CB-CD1 3.48Å; W70-I72 HydrophobicContact CB-CD1 3.94Å; I72-G74 PolarHBondContact O-N 2.88Å; I72-Y85 HydrophobicContact CD1-CD1 4.03Å; I72-Y85 HydrophobicContact CD1-CD2 3.9Å; I72-Y85 HydrophobicContact CD1-CG 3.64Å
73G96Very high94.9Very high1 Ų139.6 Ų39.61%0.0122%0.219CC..  trans-56.1136.4175.400000112.8G54 W82G54-G73 PolarHBondContact O-N 3.12Å; G73-W82 PolarHBondContact O-NE1 2.85Å; G73-W82 VanDerWaalsContact O-NE1 3.1Å
74G96.9Very high95.5Very high4 Ų444.1 Ų44.14%0.04121%0.212CC..  trans-96-0.5-179.400000115.4G27 Q29 I72 R79G27-G74 VanDerWaalsContact O-CA 3.23Å; G27-G74 WeakPolarHBondContact O-CA 3.18Å; Q29-G74 PolarHBondContact N-O 2.87Å; I72-G74 PolarHBondContact O-N 2.88Å; G74-R79 PolarHBondContact O-NE 2.95Å; G74-R79 PolarHBondContact O-NH2 3.28Å; G74-R79 VanDerWaalsContact O-NH2 3.08Å
75Q96.2Very high96.2Very high30 Ų3041.7 Ų41.714%0.1420%0.197CC..SBendtrans-67.3146.1173.7-73.6166.451.200110Q29 P51 R77 F78 R79Q29-Q75 HydrophobicContact CB-CG 4.38Å; P51-Q75 VanDerWaalsContact CB-NE2 3.33Å; Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.02Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.3Å; Q75-F78 HydrophobicContact CB-CD2 3.87Å; Q75-F78 HydrophobicContact CB-CE2 4.23Å; Q75-F78 PolarHBondContact O-N 3.38Å; Q75-R79 WeakPolarHBondContact O-CG 3.43Å
76P96.4Very high96.6Very high89 Ų8941.7 Ų41.758%0.57820%0.197SC*.Hα-helixtrans-47.3-43.7-178.7-30.836000114.3F78 R79P76-F78 PolarHBondContact O-N 2.91Å; P76-R79 PolarHBondContact O-N 3.35Å
77R95.9Very high96.8Very high160 Ų16046.8 Ų46.860%0.60421%0.214SC*.Hα-helixtrans-59.8-16.717964.6175.7170.4171.90.1115.6Q75Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.02Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.3Å
78F96.2Very high96.7Very high24 Ų2449.4 Ų49.411%0.10524%0.241CC..Hα-helixtrans-107.7-9.8-178.8-58.4-49.1000113.7V53 G54 Q75 P76 S80 M81V53-F78 HydrophobicContact CB-CZ 4.34Å; V53-F78 HydrophobicContact CG1-CZ 3.85Å; G54-F78 VanDerWaalsContact N-CZ 3.26Å; Q75-F78 HydrophobicContact CB-CD2 3.87Å; Q75-F78 HydrophobicContact CB-CE2 4.23Å; Q75-F78 PolarHBondContact O-N 3.38Å; P76-F78 PolarHBondContact O-N 2.91Å; F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.08Å; F78-M81 HydrophobicContact CB-CE 3.67Å; F78-M81 HydrophobicContact CD1-CE 3.6Å; F78-M81 HydrophobicContact CG-CE 3.99Å; F78-M81 WeakPolarHBondContact O-CB 3.32Å; F78-M81 PolarHBondContact O-N 2.93Å; F78-M81 VanDerWaalsContact O-N 3.09Å
79R97.3Very high96.7Very high46 Ų4647.2 Ų47.217%0.17423%0.233CC..Hα-helixtrans-68.3-28.7-173.9-57.4-170.6-171.8153.43.9113.4G74 Q75 P76 M81 W82 E110G74-R79 PolarHBondContact O-NE 2.95Å; G74-R79 PolarHBondContact O-NH2 3.28Å; G74-R79 VanDerWaalsContact O-NH2 3.08Å; Q75-R79 WeakPolarHBondContact O-CG 3.43Å; P76-R79 PolarHBondContact O-N 3.35Å; R79-M81 PolarHBondContact O-N 3.34Å; R79-M81 VanDerWaalsContact O-N 3.12Å; R79-W82 HydrophobicContact CB-CD2 4.19Å; R79-W82 HydrophobicContact CB-CZ2 4.23Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CH2 4.06Å; R79-W82 HydrophobicContact CG-CZ2 3.6Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.38Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.42Å; R79-E110 VanDerWaalsContact CD-CD 3.44Å; R79-E110 VanDerWaalsContact CD-OE1 3.22Å; R79-E110 WeakPolarHBondContact CD-OE1 3.33Å; R79-E110 IonicContact CZ-OE1 3.8Å; R79-E110 IonicContact NE-OE1 2.7Å; R79-E110 IonicContact NH1-OE1 3.63Å; R79-E110 PolarHBondContact NH1-OE1 2.97Å
80S94.9Very high96.6Very high105 Ų10547.5 Ų47.573%0.73423%0.234SC*.THydrogen-bonded Turntrans-60.6-2017355.70000113.6F78F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.08Å
81M95.1Very high96.7Very high46 Ų4645.4 Ų45.423%0.22723%0.226CC..THydrogen-bonded Turntrans-83.2-17.9176.4-61.1-174.3-61.500113.1F78 R79 E83 R84 Y85F78-M81 HydrophobicContact CB-CE 3.67Å; F78-M81 HydrophobicContact CD1-CE 3.6Å; F78-M81 HydrophobicContact CG-CE 3.99Å; F78-M81 WeakPolarHBondContact O-CB 3.32Å; F78-M81 PolarHBondContact O-N 2.93Å; F78-M81 VanDerWaalsContact O-N 3.09Å; R79-M81 PolarHBondContact O-N 3.34Å; R79-M81 VanDerWaalsContact O-N 3.12Å; M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 2.86Å; M81-R84 WeakPolarHBondContact O-CB 3.46Å; M81-R84 PolarHBondContact O-N 3.4Å; M81-Y85 HydrophobicContact CB-CD2 4.19Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.49Å; M81-Y85 PolarHBondContact O-N 2.99Å
82W98.2Very high96.7Very high3 Ų345.3 Ų45.31%0.01123%0.226CC..Hα-helixtrans-54.6-47.9-172.9-68.51.7000112V26 G27 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 3.97Å; V26-W82 HydrophobicContact CB-CE3 4.23Å; V26-W82 HydrophobicContact CB-CG 4.23Å; V26-W82 HydrophobicContact CG1-CB 3.94Å; V26-W82 HydrophobicContact CG1-CD2 3.88Å; V26-W82 HydrophobicContact CG1-CG 3.6Å; G27-W82 WeakPolarHBondContact O-CZ2 3.22Å; G73-W82 PolarHBondContact O-NE1 2.85Å; G73-W82 VanDerWaalsContact O-NE1 3.1Å; R79-W82 HydrophobicContact CB-CD2 4.19Å; R79-W82 HydrophobicContact CB-CZ2 4.23Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CH2 4.06Å; R79-W82 HydrophobicContact CG-CZ2 3.6Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.38Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.42Å; W82-R84 VanDerWaalsContact C-N 3.31Å; W82-R84 PolarHBondContact O-N 2.84Å; W82-Y85 PolarHBondContact O-N 3.3Å; W82-Y85 VanDerWaalsContact O-N 3.16Å; W82-C86 WeakPolarHBondContact O-CB 3Å; W82-C86 PolarHBondContact O-N 3.12Å; W82-C86 PolarHBondContact O-SG 3.41Å; W82-Y94 HydrophobicContact CH2-CE2 4.35Å; W82-Y94 AromaticContact CZ3-CE2 3.91Å; W82-Y94 HydrophobicContact CZ3-CE2 3.91Å; W82-E110 HydrophobicContact CH2-CB 4.24Å; W82-E110 HydrophobicContact CZ3-CB 3.89Å; W82-L114 HydrophobicContact CB-CD1 3.83Å; W82-L114 HydrophobicContact CE3-CD2 4.17Å
83E97.8Very high96.8Very high41 Ų4145.4 Ų45.419%0.19223%0.226CC..Hα-helixtrans-54.7-46.9178.3-174.5-166.6138.600111.9M81 Y85 C86 R87 L114 K117 Q119M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 2.86Å; E83-Y85 VanDerWaalsContact C-N 3.3Å; E83-Y85 PolarHBondContact O-N 3.01Å; E83-C86 PolarHBondContact O-N 3.13Å; E83-R87 WeakPolarHBondContact O-CG 3.25Å; E83-R87 PolarHBondContact O-N 3.42Å; E83-R87 IonicContact OE1-CZ 3.61Å; E83-R87 IonicContact OE1-NE 3.13Å; E83-R87 IonicContact OE1-NH2 2.7Å; E83-R87 PolarHBondContact OE1-NH2 2.84Å; E83-L114 HydrophobicContact CB-CD1 4.4Å; E83-K117 HydrophobicContact CB-CG 4.39Å; E83-K117 HydrophobicContact CG-CB 4Å; E83-K117 HydrophobicContact CG-CG 3.85Å; E83-K117 WeakPolarHBondContact OE2-CD 3.36Å; E83-Q119 PolarHBondContact OE1-OE1 3.11Å
84R97.1Very high96.9Very high172 Ų17245.4 Ų45.465%0.64923%0.226SC*.Hα-helixtrans-58.1-41.9-178.9177.5-176.8173.5-176.2-0.9112M81 W82M81-R84 WeakPolarHBondContact O-CB 3.46Å; M81-R84 PolarHBondContact O-N 3.4Å; W82-R84 VanDerWaalsContact C-N 3.31Å; W82-R84 PolarHBondContact O-N 2.84Å
85Y97.6Very high97Very high27 Ų2745.2 Ų45.211%0.10622%0.224CC..Hα-helixtrans-85.7-18.6-177.4-72.5-87.2000113.1T24 F55 W70 I72 M81 W82 E83 R87 V89T24-Y85 PolarHBondContact OG1-O 3.3Å; F55-Y85 HydrophobicContact CD1-CE2 4.16Å; F55-Y85 AromaticContact CD1-CZ 3.74Å; F55-Y85 VanDerWaalsContact CD1-OH 3.23Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.49Å; F55-Y85 AromaticContact CD2-CE1 3.99Å; F55-Y85 HydrophobicContact CD2-CE1 3.99Å; F55-Y85 AromaticContact CE1-CZ 3.93Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 HydrophobicContact CE2-CE1 4.24Å; F55-Y85 HydrophobicContact CG-CE1 4.15Å; F55-Y85 HydrophobicContact CG-CE2 4.36Å; F55-Y85 AromaticContact CG-CZ 3.81Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.35Å; W70-Y85 HydrophobicContact CB-CD1 4.37Å; W70-Y85 AromaticContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CE1 4.13Å; W70-Y85 AromaticContact CE3-CD1 3.77Å; W70-Y85 HydrophobicContact CE3-CD1 3.77Å; W70-Y85 AromaticContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CG-CD1 4.04Å; W70-Y85 HydrophobicContact CH2-CE1 4.33Å; W70-Y85 HydrophobicContact CZ3-CD1 4.3Å; W70-Y85 AromaticContact CZ3-CE1 3.81Å; W70-Y85 HydrophobicContact CZ3-CE1 3.81Å; I72-Y85 HydrophobicContact CD1-CD1 4.03Å; I72-Y85 HydrophobicContact CD1-CD2 3.9Å; I72-Y85 HydrophobicContact CD1-CG 3.64Å; M81-Y85 HydrophobicContact CB-CD2 4.19Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.49Å; M81-Y85 PolarHBondContact O-N 2.99Å; W82-Y85 PolarHBondContact O-N 3.3Å; W82-Y85 VanDerWaalsContact O-N 3.16Å; E83-Y85 VanDerWaalsContact C-N 3.3Å; E83-Y85 PolarHBondContact O-N 3.01Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; Y85-V89 WeakPolarHBondContact O-CG1 3.48Å
86C98.4Very high97.1Very high0 Ų043.9 Ų43.90%022%0.218CC..Hα-helixtrans-79.8-12.7174-70.60000113.3T24 W82 E83 G88 V89 I92 L120 I123T24-C86 VanDerWaalsContact CG2-SG 3.52Å; W82-C86 WeakPolarHBondContact O-CB 3Å; W82-C86 PolarHBondContact O-N 3.12Å; W82-C86 PolarHBondContact O-SG 3.41Å; E83-C86 PolarHBondContact O-N 3.13Å; C86-G88 PolarHBondContact O-N 3.21Å; C86-V89 VanDerWaalsContact O-CG2 3.31Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; C86-I92 HydrophobicContact CB-CD1 3.77Å; C86-I92 HydrophobicContact CB-CG1 3.99Å; C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.67Å; C86-L120 HydrophobicContact CB-CD2 3.57Å; C86-L120 HydrophobicContact CB-CG 4.29Å; C86-I123 VanDerWaalsContact O-CD1 3.23Å; C86-I123 WeakPolarHBondContact O-CD1 3.37Å
87R96.2Very high97.2Very high127 Ų12740.6 Ų40.648%0.47920%0.196SC..THydrogen-bonded Turntrans-66.8129.3-179.3-72.6170.2-170.1179.21.5111.6E83 Y85 V89 Q119 L120E83-R87 WeakPolarHBondContact O-CG 3.25Å; E83-R87 PolarHBondContact O-N 3.42Å; E83-R87 IonicContact OE1-CZ 3.61Å; E83-R87 IonicContact OE1-NE 3.13Å; E83-R87 IonicContact OE1-NH2 2.7Å; E83-R87 PolarHBondContact OE1-NH2 2.84Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; R87-V89 PolarHBondContact O-N 3.36Å; R87-Q119 HydrophobicContact CG-CB 4.13Å; R87-L120 HydrophobicContact CG-CD2 3.91Å
88G92.4Very high97.4Very high55 Ų5533 Ų3357%0.56717%0.167SC*.THydrogen-bonded Turntrans70.59.9171.600000115.5C86C86-G88 PolarHBondContact O-N 3.21Å
89V96.9Very high97.5Very high10 Ų1033.1 Ų33.16%0.06117%0.172CC..  trans-74.5156.9173.6-54.20000110.7E22 T24 Y85 C86 R87 A91 I92 I123E22-V89 HydrophobicContact CG-CG1 4.2Å; E22-V89 WeakPolarHBondContact O-CB 3.47Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.3Å; Y85-V89 WeakPolarHBondContact O-CG1 3.48Å; C86-V89 VanDerWaalsContact O-CG2 3.31Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; R87-V89 PolarHBondContact O-N 3.36Å; V89-A91 VanDerWaalsContact CG2-O 3.3Å; V89-A91 WeakPolarHBondContact CG2-O 3.32Å; V89-I92 HydrophobicContact CG2-CG1 3.94Å; V89-I123 HydrophobicContact CG2-CG2 3.87Å
90N96.9Very high97.5Very high11 Ų1132.5 Ų32.56%0.05917%0.172CC..SBendtrans-69.2-35.5175.5-67.889.1000112.2M21 E22 P124 H180M21-N90 WeakPolarHBondContact CA-OD1 3.49Å; M21-N90 HydrophobicContact CE-CB 3.67Å; M21-N90 HydrophobicContact CG-CB 3.67Å; E22-N90 PolarHBondContact N-OD1 2.83Å; E22-N90 WeakPolarHBondContact O-CB 3.36Å; E22-N90 PolarHBondContact O-N 2.88Å; E22-N90 PolarHBondContact O-OD1 3.16Å; N90-P124 WeakPolarHBondContact O-CD 3.32Å; N90-H180 PolarHBondContact ND2-O 3.26Å
91A98.4Very high97.6Very high0 Ų033.4 Ų33.40%016%0.16CC..EExtended strand (participates in β ladder)trans-156.1151.3173.500000111.4M21 L23 T24 V89 P124 W176M21-A91 HydrophobicContact CE-CB 4.27Å; L23-A91 WeakPolarHBondContact CA-O 3.43Å; L23-A91 HydrophobicContact CD2-CB 3.68Å; L23-A91 WeakPolarHBondContact CD2-O 3.4Å; T24-A91 PolarHBondContact N-O 2.98Å; V89-A91 VanDerWaalsContact CG2-O 3.3Å; V89-A91 WeakPolarHBondContact CG2-O 3.32Å; A91-P124 CarbonylContact C-O 3.54Å; A91-P124 WeakPolarHBondContact CA-O 3.31Å; A91-P124 HydrophobicContact CB-CB 4.31Å; A91-W176 HydrophobicContact CB-CH2 4.18Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å
92I98.7Very high97.7Very high0 Ų040.1 Ų40.10%019%0.19CC..EExtended strand (participates in β ladder)trans-95.8127.8169.9-61.1167.7000107.6V26 C86 V89 L115 L120 I123 P124 V125 L126V26-I92 HydrophobicContact CG2-CG2 3.66Å; C86-I92 HydrophobicContact CB-CD1 3.77Å; C86-I92 HydrophobicContact CB-CG1 3.99Å; V89-I92 HydrophobicContact CG2-CG1 3.94Å; I92-L115 HydrophobicContact CD1-CD2 4.3Å; I92-L120 HydrophobicContact CD1-CD1 4.15Å; I92-I123 HydrophobicContact CD1-CB 4.39Å; I92-I123 HydrophobicContact CD1-CG2 4.1Å; I92-I123 HydrophobicContact CG1-CG2 3.88Å; I92-P124 PolarHBondContact N-O 2.93Å; I92-V125 HydrophobicContact CB-CG2 4.36Å; I92-V125 CarbonylContact O-C 3.56Å; I92-V125 WeakPolarHBondContact O-CA 3.37Å; I92-L126 PolarHBondContact O-N 2.83Å
93V98.9Very high97.7Very high3 Ų344 Ų442%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-101.9116.3171.3-174.50000108.3T24 L25 V26 L126 L128 L177T24-V93 PolarHBondContact O-N 3.5Å; L25-V93 WeakPolarHBondContact CA-O 3.34Å; L25-V93 HydrophobicContact CD1-CB 3.58Å; L25-V93 HydrophobicContact CD1-CG1 3.37Å; V26-V93 PolarHBondContact N-O 3.22Å; V93-L126 CarbonylContact C-O 3.43Å; V93-L126 WeakPolarHBondContact CA-O 2.84Å; V93-L126 HydrophobicContact CG2-CB 4.49Å; V93-L128 HydrophobicContact CG1-CD1 3.46Å; V93-L128 VanDerWaalsContact CG1-CD1 3.46Å; V93-L128 HydrophobicContact CG1-CG 3.96Å; V93-L177 HydrophobicContact CG2-CD2 3.83Å
94Y98.9Very high97.8Very high0 Ų042.5 Ų42.50%020%0.201CC..EExtended strand (participates in β ladder)trans-105.1110.3179.2-165.2-92.4000110.7V26 W82 I96 S107 E110 L111 L126 V127 L128 M147V26-Y94 HydrophobicContact CG2-CD2 3.83Å; V26-Y94 WeakPolarHBondContact O-CA 3.32Å; W82-Y94 HydrophobicContact CH2-CE2 4.35Å; W82-Y94 AromaticContact CZ3-CE2 3.91Å; W82-Y94 HydrophobicContact CZ3-CE2 3.91Å; Y94-I96 HydrophobicContact CD1-CD1 4.36Å; Y94-I96 HydrophobicContact CD1-CG1 3.86Å; Y94-I96 HydrophobicContact CE1-CG1 3.94Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.31Å; Y94-S107 PolarHBondContact OH-O 3.19Å; Y94-S107 PolarHBondContact OH-OG 3.16Å; Y94-E110 WeakPolarHBondContact OH-CB 3.39Å; Y94-L111 HydrophobicContact CD1-CB 4.26Å; Y94-L111 HydrophobicContact CD1-CD1 4.1Å; Y94-L111 HydrophobicContact CD1-CD2 4.3Å; Y94-L111 HydrophobicContact CD1-CG 4.46Å; Y94-L111 HydrophobicContact CD2-CB 4.34Å; Y94-L111 HydrophobicContact CD2-CD1 3.67Å; Y94-L111 HydrophobicContact CE1-CB 3.85Å; Y94-L111 HydrophobicContact CE2-CB 3.99Å; Y94-L111 HydrophobicContact CE2-CD1 4.16Å; Y94-L111 HydrophobicContact CG-CB 4.49Å; Y94-L111 HydrophobicContact CG-CD1 3.66Å; Y94-L111 HydrophobicContact CG-CG 4.48Å; Y94-L111 PolarHBondContact OH-N 3.1Å; Y94-L126 PolarHBondContact N-O 2.72Å; Y94-V127 WeakPolarHBondContact O-CA 3.31Å; Y94-L128 PolarHBondContact O-N 3.45Å; Y94-M147 HydrophobicContact CE1-CE 4.01Å
95M98.9Very high97.8Very high0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-95.7123.8-173.8-172.968.572.300111.8L25 V26 S31 K33 F36 L128 N130 I162L25-M95 HydrophobicContact CD1-CB 4.26Å; L25-M95 HydrophobicContact CD1-CE 4.23Å; V26-M95 PolarHBondContact O-N 2.83Å; S31-M95 WeakPolarHBondContact CB-O 3.44Å; S31-M95 VanDerWaalsContact O-CG 3.28Å; S31-M95 WeakPolarHBondContact O-CG 3.47Å; S31-M95 WeakPolarHBondContact OG-CG 3.5Å; S31-M95 PolarHBondContact OG-O 3.18Å; K33-M95 HydrophobicContact CD-CB 4.43Å; K33-M95 HydrophobicContact CG-CB 3.6Å; K33-M95 HydrophobicContact CG-CG 4.03Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 4.26Å; F36-M95 HydrophobicContact CD2-CE 4.14Å; F36-M95 HydrophobicContact CG-CE 3.74Å; M95-L128 HydrophobicContact CE-CB 4.09Å; M95-L128 HydrophobicContact CE-CD1 3.84Å; M95-L128 HydrophobicContact SD-CB 3.75Å; M95-N130 HydrophobicContact CG-CB 4.45Å; M95-N130 HydrophobicContact SD-CB 3.41Å; M95-N130 WeakPolarHBondContact SD-CB 3.35Å; M95-I162 HydrophobicContact CE-CD1 4.24Å; M95-I162 HydrophobicContact SD-CD1 4.42Å
96I98.8Very high97.9Very high2 Ų240.8 Ų40.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-113.2140.6178.3-54.3167.9000108.5Y94 A98 I104 V127 L128 N130 L143 M147Y94-I96 HydrophobicContact CD1-CD1 4.36Å; Y94-I96 HydrophobicContact CD1-CG1 3.86Å; Y94-I96 HydrophobicContact CE1-CG1 3.94Å; I96-A98 PolarHBondContact O-N 3.19Å; I96-I104 HydrophobicContact CG2-CD1 3.58Å; I96-V127 HydrophobicContact CD1-CG1 3.36Å; I96-V127 HydrophobicContact CG1-CG1 4.24Å; I96-L128 PolarHBondContact N-O 2.95Å; I96-N130 PolarHBondContact O-N 3.14Å; I96-L143 HydrophobicContact CD1-CD2 4.18Å; I96-L143 HydrophobicContact CG2-CD2 4.17Å; I96-M147 HydrophobicContact CD1-CE 3.57Å; I96-M147 HydrophobicContact CD1-CG 3.62Å; I96-M147 HydrophobicContact CD1-SD 3.67Å; I96-M147 HydrophobicContact CG1-CE 4.2Å
97D98.5Very high97.9Very high21 Ų2141 Ų4111%0.11221%0.21CC..EExtended strand (participates in β ladder)trans-79.2106.6162.2-173.4-24.6000108A99 D100 K131D97-A99 PolarHBondContact O-N 3.11Å; D97-A99 PolarHBondContact OD1-N 2.93Å; D97-D100 HydrophobicContact CB-CB 3.83Å; D97-D100 PolarHBondContact O-N 3.02Å; D97-D100 PolarHBondContact OD1-N 3.49Å; D97-D100 VanDerWaalsContact OD1-N 3.11Å; D97-K131 VanDerWaalsContact OD2-CE 3.27Å; D97-K131 WeakPolarHBondContact OD2-CE 3.33Å; D97-K131 IonicContact OD2-NZ 2.94Å; D97-K131 PolarHBondContact OD2-NZ 3.26Å
98A98.7Very high98Very high0 Ų038.4 Ų38.40%020%0.2CC..SBendtrans-70-20.6-177.100000112.5I96 N130 A137 L138 L143I96-A98 PolarHBondContact O-N 3.19Å; A98-N130 VanDerWaalsContact CB-O 3.26Å; A98-N130 WeakPolarHBondContact CB-O 3.43Å; A98-N130 PolarHBondContact N-O 3.09Å; A98-A137 HydrophobicContact CB-CB 4.19Å; A98-A137 CarbonylContact O-C 3.55Å; A98-A137 WeakPolarHBondContact O-CA 3.34Å; A98-L138 HydrophobicContact CB-CB 4.48Å; A98-L138 PolarHBondContact O-N 2.98Å; A98-L143 HydrophobicContact CB-CD1 4.49Å
99A98.3Very high98.3Very high26 Ų2639.2 Ų39.222%0.21519%0.191CC..SBendtrans-89.3-23179.700000112.8D97 R101 L134 A137D97-A99 PolarHBondContact O-N 3.11Å; D97-A99 PolarHBondContact OD1-N 2.93Å; A99-R101 PolarHBondContact O-N 3.32Å; A99-R101 VanDerWaalsContact O-N 3.11Å; A99-L134 HydrophobicContact CB-CB 3.77Å; A99-L134 HydrophobicContact CB-CD1 3.91Å; A99-L134 HydrophobicContact CB-CG 4.46Å; A99-A137 HydrophobicContact CB-CB 4.4Å
100D97.7Very high98.4Very high34 Ų3441 Ų4118%0.18220%0.199CC..  trans-84.977.3176.7-169.2-15000111.7D97 E102 K103D97-D100 HydrophobicContact CB-CB 3.83Å; D97-D100 PolarHBondContact O-N 3.02Å; D97-D100 PolarHBondContact OD1-N 3.49Å; D97-D100 VanDerWaalsContact OD1-N 3.11Å; D100-E102 PolarHBondContact O-N 2.89Å; D100-E102 PolarHBondContact OD1-N 2.8Å; D100-K103 PolarHBondContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.47Å; D100-K103 WeakPolarHBondContact OD2-CD 3.48Å; D100-K103 WeakPolarHBondContact OD2-CE 3.44Å; D100-K103 WeakPolarHBondContact OD2-CG 3.19Å; D100-K103 IonicContact OD2-NZ 3.48Å; D100-K103 PolarHBondContact OD2-NZ 2.86Å
101R97.6Very high98.5Very high123 Ų12340.5 Ų40.546%0.46420%0.196SC..G310 helixtrans-61.4-28.8-178.5-66.7-173.8177.8-160.4-2.3113.5A99 K103 I104 N136 L138A99-R101 PolarHBondContact O-N 3.32Å; A99-R101 VanDerWaalsContact O-N 3.11Å; R101-K103 VanDerWaalsContact C-N 3.27Å; R101-K103 PolarHBondContact O-N 3.4Å; R101-I104 PolarHBondContact O-N 3.5Å; R101-N136 PolarHBondContact NE-O 3.23Å; R101-N136 PolarHBondContact NH2-O 2.88Å; R101-L138 HydrophobicContact CG-CD2 4.48Å
102E97.9Very high98.5Very high187 Ų18742.2 Ų42.287%0.87421%0.205SC*.G310 helixtrans-67.2-30.2-179.3-62.5-177.4174.900111.8D100D100-E102 PolarHBondContact O-N 2.89Å; D100-E102 PolarHBondContact OD1-N 2.8Å
103K97.7Very high98.5Very high85 Ų8546.4 Ų46.437%0.3723%0.227SC..G310 helixtrans-92.7-1.7-179-66.7-164.9-169.4111.30114.9L28 D100 R101 E105 A106 S107L28-K103 HydrophobicContact CD1-CB 3.9Å; L28-K103 HydrophobicContact CD1-CD 4.29Å; D100-K103 PolarHBondContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.47Å; D100-K103 WeakPolarHBondContact OD2-CD 3.48Å; D100-K103 WeakPolarHBondContact OD2-CE 3.44Å; D100-K103 WeakPolarHBondContact OD2-CG 3.19Å; D100-K103 IonicContact OD2-NZ 3.48Å; D100-K103 PolarHBondContact OD2-NZ 2.86Å; R101-K103 VanDerWaalsContact C-N 3.27Å; R101-K103 PolarHBondContact O-N 3.4Å; K103-E105 VanDerWaalsContact C-N 3.34Å; K103-E105 PolarHBondContact O-N 3.34Å; K103-A106 PolarHBondContact O-N 3.28Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.49Å; K103-S107 PolarHBondContact O-N 3.36Å
104I98.5Very high98.5Very high10 Ų1046.6 Ų46.65%0.05123%0.228CC..Hα-helixtrans-61.4-42.3-176.2-65.3-65.3000111.9I96 R101 S107 R108 L138 L143 K146 M147I96-I104 HydrophobicContact CG2-CD1 3.58Å; R101-I104 PolarHBondContact O-N 3.5Å; I104-S107 WeakPolarHBondContact O-CB 2.95Å; I104-S107 PolarHBondContact O-N 3.01Å; I104-R108 WeakPolarHBondContact O-CB 3.34Å; I104-R108 PolarHBondContact O-N 3.41Å; I104-L138 HydrophobicContact CD1-CD1 3.69Å; I104-L138 HydrophobicContact CG1-CD1 3.8Å; I104-L143 HydrophobicContact CD1-CD2 4.43Å; I104-K146 HydrophobicContact CG2-CB 3.75Å; I104-K146 HydrophobicContact CG2-CD 4.26Å; I104-M147 HydrophobicContact CG2-SD 4.06Å
105E98.6Very high98.5Very high118 Ų11847.1 Ų47.155%0.55123%0.23SC*.Hα-helixtrans-64.6-45.9177.6171.7158.7-134.300112.2K103 S107 R108 N109K103-E105 VanDerWaalsContact C-N 3.34Å; K103-E105 PolarHBondContact O-N 3.34Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.29Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 2.66Å; E105-R108 IonicContact OE1-NH2 3.82Å; E105-R108 PolarHBondContact OE1-NH2 2.9Å; E105-N109 PolarHBondContact O-N 3.09Å; E105-N109 PolarHBondContact O-OD1 3.48Å
106A98.6Very high98.4Very high45 Ų4552.7 Ų52.737%0.37226%0.26SS..Hα-helixtrans-60.4-39.9175.100000111.2L28 K103 N109 E110L28-A106 HydrophobicContact CD1-CB 4.23Å; K103-A106 PolarHBondContact O-N 3.28Å; A106-N109 PolarHBondContact O-N 3.18Å; A106-E110 VanDerWaalsContact O-CG 3.24Å; A106-E110 WeakPolarHBondContact O-CG 3.29Å; A106-E110 PolarHBondContact O-N 3.1Å; A106-E110 VanDerWaalsContact O-N 3.09Å
107S98.8Very high98.4Very high3 Ų356.3 Ų56.32%0.02128%0.276CS..Hα-helixtrans-64.9-42177.4-164.50000111.7Y94 K103 I104 E105 L111Y94-S107 WeakPolarHBondContact CE1-OG 3.31Å; Y94-S107 PolarHBondContact OH-O 3.19Å; Y94-S107 PolarHBondContact OH-OG 3.16Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.49Å; K103-S107 PolarHBondContact O-N 3.36Å; I104-S107 WeakPolarHBondContact O-CB 2.95Å; I104-S107 PolarHBondContact O-N 3.01Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.29Å; S107-L111 PolarHBondContact O-N 2.61Å
108R98.9Very high98.2Very high73 Ų7359.6 Ų59.628%0.27530%0.299SS..Hα-helixtrans-59-52.6174177.6-171.567.8-157.7-1.5110.7I104 E105 E110 L111 H112 K146 M147I104-R108 WeakPolarHBondContact O-CB 3.34Å; I104-R108 PolarHBondContact O-N 3.41Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 2.66Å; E105-R108 IonicContact OE1-NH2 3.82Å; E105-R108 PolarHBondContact OE1-NH2 2.9Å; R108-E110 VanDerWaalsContact C-N 3.27Å; R108-E110 PolarHBondContact O-N 2.95Å; R108-L111 WeakPolarHBondContact O-CB 3.1Å; R108-L111 PolarHBondContact O-N 2.95Å; R108-L111 VanDerWaalsContact O-N 3.11Å; R108-H112 PolarHBondContact O-CD2 3.04Å; R108-H112 VanDerWaalsContact O-CD2 3.26Å; R108-H112 PolarHBondContact O-N 3.14Å; R108-K146 WeakPolarHBondContact CD-O 3.37Å; R108-M147 VanDerWaalsContact CA-CE 3.45Å; R108-M147 HydrophobicContact CB-CE 4.11Å; R108-M147 HydrophobicContact CB-SD 4.04Å
109N98.8Very high98.1Very high72 Ų7264.6 Ų64.639%0.38532%0.322SS..Hα-helixtrans-60.5-40.7-175.8-62.9-10.1000111E105 A106 N113E105-N109 PolarHBondContact O-N 3.09Å; E105-N109 PolarHBondContact O-OD1 3.48Å; A106-N109 PolarHBondContact O-N 3.18Å; N109-N113 WeakPolarHBondContact O-CB 3.41Å; N109-N113 PolarHBondContact O-N 3.45Å; N109-N113 PolarHBondContact O-ND2 3.17Å; N109-N113 VanDerWaalsContact O-ND2 3.14Å
110E98.7Very high98.1Very high48 Ų4863.3 Ų63.322%0.22431%0.311CS..Hα-helixtrans-67.5-36.5176.1-68.1-72.9-175.400113.4L28 R79 W82 Y94 A106 R108 L114L28-E110 HydrophobicContact CD2-CB 4.43Å; L28-E110 HydrophobicContact CD2-CG 3.99Å; R79-E110 VanDerWaalsContact CD-CD 3.44Å; R79-E110 VanDerWaalsContact CD-OE1 3.22Å; R79-E110 WeakPolarHBondContact CD-OE1 3.33Å; R79-E110 IonicContact CZ-OE1 3.8Å; R79-E110 IonicContact NE-OE1 2.7Å; R79-E110 IonicContact NH1-OE1 3.63Å; R79-E110 PolarHBondContact NH1-OE1 2.97Å; W82-E110 HydrophobicContact CH2-CB 4.24Å; W82-E110 HydrophobicContact CZ3-CB 3.89Å; Y94-E110 WeakPolarHBondContact OH-CB 3.39Å; A106-E110 VanDerWaalsContact O-CG 3.24Å; A106-E110 WeakPolarHBondContact O-CG 3.29Å; A106-E110 PolarHBondContact O-N 3.1Å; A106-E110 VanDerWaalsContact O-N 3.09Å; R108-E110 VanDerWaalsContact C-N 3.27Å; R108-E110 PolarHBondContact O-N 2.95Å; E110-L114 VanDerWaalsContact O-CB 3.32Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 2.89Å; E110-L114 VanDerWaalsContact O-N 3.1Å
111L98.9Very high98Very high0 Ų068.2 Ų68.20%033%0.333CS..Hα-helixtrans-62.6-54.2173.5175.360.8000110.8Y94 S107 R108 N113 L114 L115 V125 V127 M147 L149 I152Y94-L111 HydrophobicContact CD1-CB 4.26Å; Y94-L111 HydrophobicContact CD1-CD1 4.1Å; Y94-L111 HydrophobicContact CD1-CD2 4.3Å; Y94-L111 HydrophobicContact CD1-CG 4.46Å; Y94-L111 HydrophobicContact CD2-CB 4.34Å; Y94-L111 HydrophobicContact CD2-CD1 3.67Å; Y94-L111 HydrophobicContact CE1-CB 3.85Å; Y94-L111 HydrophobicContact CE2-CB 3.99Å; Y94-L111 HydrophobicContact CE2-CD1 4.16Å; Y94-L111 HydrophobicContact CG-CB 4.49Å; Y94-L111 HydrophobicContact CG-CD1 3.66Å; Y94-L111 HydrophobicContact CG-CG 4.48Å; Y94-L111 PolarHBondContact OH-N 3.1Å; S107-L111 PolarHBondContact O-N 2.61Å; R108-L111 WeakPolarHBondContact O-CB 3.1Å; R108-L111 PolarHBondContact O-N 2.95Å; R108-L111 VanDerWaalsContact O-N 3.11Å; L111-N113 PolarHBondContact O-N 2.85Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-L114 VanDerWaalsContact O-N 3.16Å; L111-L115 HydrophobicContact CD1-CD1 3.66Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.92Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.23Å; L111-L115 PolarHBondContact O-N 3.23Å; L111-V125 HydrophobicContact CD1-CG1 4.48Å; L111-V127 HydrophobicContact CD2-CG2 4.32Å; L111-M147 HydrophobicContact CB-CE 4.22Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; L111-L149 HydrophobicContact CD2-CD2 3.68Å; L111-I152 HydrophobicContact CD2-CD1 4.43Å
112H98.8Very high98Very high37 Ų3764.4 Ų64.417%0.17133%0.332CS..Hα-helixtrans-63.5-43.7-178.3-75.2-89.1000111.4R108 L114 L115 D116 M147 N148R108-H112 PolarHBondContact O-CD2 3.04Å; R108-H112 VanDerWaalsContact O-CD2 3.26Å; R108-H112 PolarHBondContact O-N 3.14Å; H112-L114 PolarHBondContact O-N 3.49Å; H112-L115 PolarHBondContact O-N 3.4Å; H112-L115 VanDerWaalsContact O-N 3.08Å; H112-D116 WeakPolarHBondContact O-CB 3.49Å; H112-D116 VanDerWaalsContact O-CG 3.24Å; H112-D116 PolarHBondContact O-N 2.7Å; H112-M147 PolarHBondContact NE2-O 3.31Å; H112-N148 PolarHBondContact CE1-O 2.96Å; H112-N148 PolarHBondContact NE2-O 3.19Å
113N98.6Very high97.9Very high87 Ų8756.3 Ų56.347%0.46530%0.295SS..Hα-helixtrans-58.1-33.5174.7-74-19.3000113.6N109 L111 K117N109-N113 WeakPolarHBondContact O-CB 3.41Å; N109-N113 PolarHBondContact O-N 3.45Å; N109-N113 PolarHBondContact O-ND2 3.17Å; N109-N113 VanDerWaalsContact O-ND2 3.14Å; L111-N113 PolarHBondContact O-N 2.85Å; N113-K117 VanDerWaalsContact O-CE 3.31Å; N113-K117 WeakPolarHBondContact O-CE 3.37Å
114L98.7Very high98Very high8 Ų853.4 Ų53.44%0.04228%0.284CS..Hα-helixtrans-73.8-44.2175.1177.966.5000111.1V26 W82 E83 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CG2-CD2 3.89Å; W82-L114 HydrophobicContact CB-CD1 3.83Å; W82-L114 HydrophobicContact CE3-CD2 4.17Å; E83-L114 HydrophobicContact CB-CD1 4.4Å; E110-L114 VanDerWaalsContact O-CB 3.32Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 2.89Å; E110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-L114 VanDerWaalsContact O-N 3.16Å; H112-L114 PolarHBondContact O-N 3.49Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.49Å; L114-K117 WeakPolarHBondContact O-CB 3.5Å; L114-K117 WeakPolarHBondContact O-CG 3.19Å; L114-K117 PolarHBondContact O-N 2.89Å; L114-L120 HydrophobicContact CD1-CD1 3.59Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.46Å
115L98.5Very high98Very high10 Ų1053 Ų535%0.05228%0.282CS..Hα-helixtrans-75.3-21.6-175.9-61.3-175.7000113.4I92 L111 H112 K117 V125 I152 R155I92-L115 HydrophobicContact CD1-CD2 4.3Å; L111-L115 HydrophobicContact CD1-CD1 3.66Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.92Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.23Å; L111-L115 PolarHBondContact O-N 3.23Å; H112-L115 PolarHBondContact O-N 3.4Å; H112-L115 VanDerWaalsContact O-N 3.08Å; L115-K117 PolarHBondContact O-N 3.02Å; L115-K117 VanDerWaalsContact O-N 3.16Å; L115-V125 HydrophobicContact CD1-CG2 4.08Å; L115-V125 HydrophobicContact CD2-CG2 3.61Å; L115-I152 HydrophobicContact CD1-CD1 3.5Å; L115-I152 HydrophobicContact CD1-CG1 4.12Å; L115-I152 HydrophobicContact CD1-CG2 4.24Å; L115-R155 PolarHBondContact O-NH2 3.16Å; L115-R155 VanDerWaalsContact O-NH2 3.15Å
116D97.1Very high98Very high117 Ų11747.3 Ų47.363%0.62626%0.256SS*.THydrogen-bonded Turntrans-65.7-9.6170.8-75.2-13.4000113.4H112 L114 P118H112-D116 WeakPolarHBondContact O-CB 3.49Å; H112-D116 VanDerWaalsContact O-CG 3.24Å; H112-D116 PolarHBondContact O-N 2.7Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.49Å; D116-P118 VanDerWaalsContact O-CD 3.29Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å
117K97.7Very high98Very high79 Ų7945.2 Ų45.234%0.34324%0.238SC..  trans-73118179.3-58-53.7-178.7-155.40110.2E83 N113 L114 L115 Q119 L120E83-K117 HydrophobicContact CB-CG 4.39Å; E83-K117 HydrophobicContact CG-CB 4Å; E83-K117 HydrophobicContact CG-CG 3.85Å; E83-K117 WeakPolarHBondContact OE2-CD 3.36Å; N113-K117 VanDerWaalsContact O-CE 3.31Å; N113-K117 WeakPolarHBondContact O-CE 3.37Å; L114-K117 WeakPolarHBondContact O-CB 3.5Å; L114-K117 WeakPolarHBondContact O-CG 3.19Å; L114-K117 PolarHBondContact O-N 2.89Å; L115-K117 PolarHBondContact O-N 3.02Å; L115-K117 VanDerWaalsContact O-N 3.16Å; K117-Q119 PolarHBondContact O-N 3.08Å; K117-L120 HydrophobicContact CB-CD1 4.22Å; K117-L120 HydrophobicContact CB-CG 4.05Å; K117-L120 PolarHBondContact O-N 2.81Å
118P96Very high98Very high90 Ų9045 Ų4558%0.58424%0.237SC*.G310 helixtrans-58.2-29.6-176.5-25.934.8000113.6D116 L120 Q121D116-P118 VanDerWaalsContact O-CD 3.29Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-L120 PolarHBondContact O-N 2.8Å; P118-Q121 WeakPolarHBondContact O-CB 3.24Å; P118-Q121 PolarHBondContact O-N 3.21Å
119Q95.9Very high98Very high104 Ų10441.6 Ų41.649%0.48622%0.224SC..G310 helixtrans-70-12.3179.3-6173.439.200113.2E83 R87 K117E83-Q119 PolarHBondContact OE1-OE1 3.11Å; R87-Q119 HydrophobicContact CG-CB 4.13Å; K117-Q119 PolarHBondContact O-N 3.08Å
120L97.9Very high98Very high0 Ų038.4 Ų38.40%021%0.207CC..G310 helixtrans-104.93178.2-52.6-171000112.4C86 R87 I92 L114 K117 P118 G122 I123 R155C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.67Å; C86-L120 HydrophobicContact CB-CD2 3.57Å; C86-L120 HydrophobicContact CB-CG 4.29Å; R87-L120 HydrophobicContact CG-CD2 3.91Å; I92-L120 HydrophobicContact CD1-CD1 4.15Å; L114-L120 HydrophobicContact CD1-CD1 3.59Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.46Å; K117-L120 HydrophobicContact CB-CD1 4.22Å; K117-L120 HydrophobicContact CB-CG 4.05Å; K117-L120 PolarHBondContact O-N 2.81Å; P118-L120 PolarHBondContact O-N 2.8Å; L120-G122 PolarHBondContact O-N 3.11Å; L120-I123 HydrophobicContact CB-CD1 4.37Å; L120-I123 HydrophobicContact CD2-CD1 4.15Å; L120-I123 WeakPolarHBondContact O-CB 3.41Å; L120-I123 WeakPolarHBondContact O-CG1 3.46Å; L120-I123 PolarHBondContact O-N 3.4Å; L120-R155 PolarHBondContact O-NH1 3.27Å; L120-R155 PolarHBondContact O-NH2 3.48Å
121Q96.4Very high98Very high137 Ų13738.5 Ų38.564%0.6421%0.207SC*.THydrogen-bonded Turntrans-54136.4-177.6-172.1178.1400111.5P118 I123P118-Q121 WeakPolarHBondContact O-CB 3.24Å; P118-Q121 PolarHBondContact O-N 3.21Å; Q121-I123 PolarHBondContact O-N 3.03Å; Q121-I123 VanDerWaalsContact O-N 3.12Å
122G96.2Very high97.9Very high42 Ų4243.5 Ų43.543%0.43323%0.225SC..THydrogen-bonded Turntrans73.7-8.5177.400000115.9L120 P124 D154L120-G122 PolarHBondContact O-N 3.11Å; G122-P124 WeakPolarHBondContact O-CD 3.2Å; G122-D154 WeakPolarHBondContact CA-O 3.5Å
123I97.6Very high97.9Very high18 Ų1844.2 Ų44.29%0.09223%0.231CC..  trans-68.1122.8176-58.3180000108.9C86 V89 I92 L120 Q121 R155C86-I123 VanDerWaalsContact O-CD1 3.23Å; C86-I123 WeakPolarHBondContact O-CD1 3.37Å; V89-I123 HydrophobicContact CG2-CG2 3.87Å; I92-I123 HydrophobicContact CD1-CB 4.39Å; I92-I123 HydrophobicContact CD1-CG2 4.1Å; I92-I123 HydrophobicContact CG1-CG2 3.88Å; L120-I123 HydrophobicContact CB-CD1 4.37Å; L120-I123 HydrophobicContact CD2-CD1 4.15Å; L120-I123 WeakPolarHBondContact O-CB 3.41Å; L120-I123 WeakPolarHBondContact O-CG1 3.46Å; L120-I123 PolarHBondContact O-N 3.4Å; Q121-I123 PolarHBondContact O-N 3.03Å; Q121-I123 VanDerWaalsContact O-N 3.12Å; I123-R155 WeakPolarHBondContact O-CD 3.28Å; I123-R155 PolarHBondContact O-NH1 3.04Å
124P98.5Very high97.9Very high24 Ų2443.5 Ų43.516%0.15623%0.227CC..  trans-56.7143.7177.9-26.535.2000112.9N90 A91 I92 G122 E156 W176N90-P124 WeakPolarHBondContact O-CD 3.32Å; A91-P124 CarbonylContact C-O 3.54Å; A91-P124 WeakPolarHBondContact CA-O 3.31Å; A91-P124 HydrophobicContact CB-CB 4.31Å; I92-P124 PolarHBondContact N-O 2.93Å; G122-P124 WeakPolarHBondContact O-CD 3.2Å; P124-E156 WeakPolarHBondContact CA-O 3.42Å; P124-E156 HydrophobicContact CB-CB 4.35Å; P124-W176 HydrophobicContact CB-CH2 3.9Å; P124-W176 HydrophobicContact CB-CZ2 4.42Å
125V98.8Very high97.7Very high0 Ų048 Ų480%026%0.256CS..EExtended strand (participates in β ladder)trans-121.6124.8-179.1179.70000110.6I92 L111 L115 V127 E156 I157 C158I92-V125 HydrophobicContact CB-CG2 4.36Å; I92-V125 CarbonylContact O-C 3.56Å; I92-V125 WeakPolarHBondContact O-CA 3.37Å; L111-V125 HydrophobicContact CD1-CG1 4.48Å; L115-V125 HydrophobicContact CD1-CG2 4.08Å; L115-V125 HydrophobicContact CD2-CG2 3.61Å; V125-V127 HydrophobicContact CG1-CG2 4.03Å; V125-E156 PolarHBondContact N-O 2.94Å; V125-I157 HydrophobicContact CB-CD1 4.32Å; V125-I157 HydrophobicContact CB-CG1 4.18Å; V125-I157 HydrophobicContact CG1-CD1 4.25Å; V125-I157 HydrophobicContact CG1-CG1 4.36Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.29Å; V125-C158 PolarHBondContact O-N 2.83Å
126L98.9Very high97.4Very high0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-105.1112.4168.3-176.762000109.8I92 V93 Y94 L128 C158 Y160 T173 W176 L177I92-L126 PolarHBondContact O-N 2.83Å; V93-L126 CarbonylContact C-O 3.43Å; V93-L126 WeakPolarHBondContact CA-O 2.84Å; V93-L126 HydrophobicContact CG2-CB 4.49Å; Y94-L126 PolarHBondContact N-O 2.72Å; L126-L128 HydrophobicContact CD1-CD2 4.23Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CD2-CD2 3.95Å; L126-L128 HydrophobicContact CD2-CG 4.34Å; L126-L128 HydrophobicContact CG-CD2 3.82Å; L126-L128 HydrophobicContact CG-CG 4.14Å; L126-C158 HydrophobicContact CD1-CB 3.86Å; L126-Y160 HydrophobicContact CD1-CD2 3.91Å; L126-Y160 HydrophobicContact CD1-CE2 4.1Å; L126-T173 HydrophobicContact CD2-CG2 3.9Å; L126-W176 HydrophobicContact CB-CE3 3.92Å; L126-W176 HydrophobicContact CB-CH2 3.97Å; L126-W176 HydrophobicContact CB-CZ3 3.59Å; L126-W176 HydrophobicContact CD1-CD2 4.08Å; L126-W176 HydrophobicContact CD1-CE3 4.14Å; L126-W176 HydrophobicContact CD1-CG 4.46Å; L126-W176 HydrophobicContact CD2-CD2 4.38Å; L126-W176 HydrophobicContact CD2-CE3 3.74Å; L126-W176 HydrophobicContact CD2-CZ3 4.22Å; L126-W176 HydrophobicContact CG-CE3 4.15Å; L126-W176 HydrophobicContact CG-CZ3 4.34Å; L126-L177 HydrophobicContact CD2-CD2 3.89Å; L126-L177 HydrophobicContact CD2-CG 4.04Å
127V98.9Very high97.5Very high0 Ų048.5 Ų48.50%026%0.262CS..EExtended strand (participates in β ladder)trans-88.7124.7173.8-178.50000109.1Y94 I96 L111 V125 L149 I157 C158 C159 Y160Y94-V127 WeakPolarHBondContact O-CA 3.31Å; I96-V127 HydrophobicContact CD1-CG1 3.36Å; I96-V127 HydrophobicContact CG1-CG1 4.24Å; L111-V127 HydrophobicContact CD2-CG2 4.32Å; V125-V127 HydrophobicContact CG1-CG2 4.03Å; V127-L149 HydrophobicContact CB-CD1 4.14Å; V127-L149 HydrophobicContact CG1-CD1 4.32Å; V127-L149 HydrophobicContact CG2-CD1 3.93Å; V127-L149 HydrophobicContact CG2-CD2 4.04Å; V127-I157 HydrophobicContact CG2-CD1 4.17Å; V127-I157 HydrophobicContact CG2-CG1 4.34Å; V127-C158 PolarHBondContact N-O 3.44Å; V127-C159 HydrophobicContact CB-CB 4.3Å; V127-C159 VanDerWaalsContact O-CA 3.29Å; V127-C159 WeakPolarHBondContact O-CA 3.24Å; V127-Y160 PolarHBondContact O-N 2.68Å
128L98.9Very high97.5Very high0 Ų044.8 Ų44.80%025%0.246CC..EExtended strand (participates in β ladder)trans-115.7112.9178.2-61.9179.9000109.8F36 V93 Y94 M95 I96 L126 N130 Y160 I162 T173F36-L128 HydrophobicContact CD2-CD1 4.43Å; F36-L128 HydrophobicContact CE1-CD1 4.41Å; F36-L128 HydrophobicContact CE2-CD1 4.04Å; F36-L128 HydrophobicContact CZ-CD1 4.03Å; V93-L128 HydrophobicContact CG1-CD1 3.46Å; V93-L128 VanDerWaalsContact CG1-CD1 3.46Å; V93-L128 HydrophobicContact CG1-CG 3.96Å; Y94-L128 PolarHBondContact O-N 3.45Å; M95-L128 HydrophobicContact CE-CB 4.09Å; M95-L128 HydrophobicContact CE-CD1 3.84Å; M95-L128 HydrophobicContact SD-CB 3.75Å; I96-L128 PolarHBondContact N-O 2.95Å; L126-L128 HydrophobicContact CD1-CD2 4.23Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CD2-CD2 3.95Å; L126-L128 HydrophobicContact CD2-CG 4.34Å; L126-L128 HydrophobicContact CG-CD2 3.82Å; L126-L128 HydrophobicContact CG-CG 4.14Å; L128-N130 PolarHBondContact O-N 2.82Å; L128-Y160 WeakPolarHBondContact CA-O 3.36Å; L128-Y160 HydrophobicContact CD2-CD2 4.43Å; L128-I162 HydrophobicContact CB-CD1 4.14Å; L128-I162 HydrophobicContact CB-CG1 4.48Å; L128-I162 HydrophobicContact CD1-CD1 4.06Å; L128-I162 HydrophobicContact CD2-CG2 4.14Å; L128-I162 HydrophobicContact CG-CD1 4.5Å; L128-T173 HydrophobicContact CD1-CG2 3.89Å; L128-T173 HydrophobicContact CD2-CG2 3.93Å
129G98.8Very high97.6Very high0 Ų043.7 Ų43.70%024%0.235CC..EExtended strand (participates in β ladder)trans-82.997.2167.200000110.1Y160 S161 I162G129-Y160 PolarHBondContact N-O 2.83Å; G129-S161 CarbonylContact O-C 3.54Å; G129-S161 WeakPolarHBondContact O-CA 3.21Å; G129-I162 PolarHBondContact O-N 3.5Å
130N98.7Very high97.7Very high6 Ų641 Ų413%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-88.7164.5-177.7-179.744.9000112.4S31 M95 I96 A98 L128 I162 C164S31-N130 PolarHBondContact O-ND2 3.3Å; M95-N130 HydrophobicContact CG-CB 4.45Å; M95-N130 HydrophobicContact SD-CB 3.41Å; M95-N130 WeakPolarHBondContact SD-CB 3.35Å; I96-N130 PolarHBondContact O-N 3.14Å; A98-N130 VanDerWaalsContact CB-O 3.26Å; A98-N130 WeakPolarHBondContact CB-O 3.43Å; A98-N130 PolarHBondContact N-O 3.09Å; L128-N130 PolarHBondContact O-N 2.82Å; N130-I162 CarbonylContact C-O 3.53Å; N130-I162 WeakPolarHBondContact CA-O 3.11Å; N130-I162 HydrophobicContact CB-CD1 4.31Å; N130-I162 HydrophobicContact CB-CG1 3.96Å; N130-C164 PolarHBondContact OD1-N 3.39Å; N130-C164 PolarHBondContact OD1-SG 3.43Å
131K98Very high97.8Very high49 Ų4948.7 Ų48.721%0.21326%0.256CS..  trans69.735.7-177.3-43.8-173-168.2171.10113.3Y30 D97 D133 L134 A137 I162Y30-K131 VanDerWaalsContact O-CE 3.32Å; Y30-K131 WeakPolarHBondContact O-CE 3.42Å; Y30-K131 PolarHBondContact O-NZ 2.71Å; D97-K131 VanDerWaalsContact OD2-CE 3.27Å; D97-K131 WeakPolarHBondContact OD2-CE 3.33Å; D97-K131 IonicContact OD2-NZ 2.94Å; D97-K131 PolarHBondContact OD2-NZ 3.26Å; K131-D133 WeakPolarHBondContact CA-OD1 3.36Å; K131-D133 PolarHBondContact O-N 3.44Å; K131-L134 HydrophobicContact CB-CD1 3.8Å; K131-L134 HydrophobicContact CB-CG 4.06Å; K131-L134 HydrophobicContact CD-CD1 3.83Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.21Å; K131-L134 PolarHBondContact O-N 2.97Å; K131-A137 WeakPolarHBondContact O-CB 3.26Å; K131-I162 PolarHBondContact N-O 3.35Å; K131-I162 VanDerWaalsContact N-O 3.15Å
132R98Very high97.9Very high105 Ų10545.3 Ų45.340%0.39624%0.24SC..THydrogen-bonded Turntrans-55.1-27.2172.7-178.2-179.6-178.3137.45.9113.3L134 E140 S161 I162R132-L134 PolarHBondContact O-N 2.83Å; R132-E140 IonicContact NH1-OE1 2.67Å; R132-E140 PolarHBondContact NH1-OE1 3.37Å; R132-E140 VanDerWaalsContact NH1-OE1 3.13Å; R132-E140 IonicContact NH1-OE2 2.64Å; R132-E140 PolarHBondContact NH1-OE2 3.4Å; R132-S161 WeakPolarHBondContact CD-OG 3.3Å; R132-I162 VanDerWaalsContact CB-O 3.3Å; R132-I162 WeakPolarHBondContact CB-O 3.5Å; R132-I162 PolarHBondContact N-O 3.46Å
133D97.6Very high98Very high53 Ų5343.3 Ų43.328%0.28322%0.219SC..THydrogen-bonded Turntrans-65.5-19.1176.656.8-74000113.7K131 S163 E166K131-D133 WeakPolarHBondContact CA-OD1 3.36Å; K131-D133 PolarHBondContact O-N 3.44Å; D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 WeakPolarHBondContact OD1-CB 3.26Å; D133-S163 PolarHBondContact OD1-OG 3.26Å; D133-E166 HydrophobicContact CB-CG 3.74Å
134L97.8Very high98Very high72 Ų7245.9 Ų45.938%0.37723%0.232SC..SBendtrans-84148.9-179.3-63.6-176.4000112.3A99 K131 R132 A137A99-L134 HydrophobicContact CB-CB 3.77Å; A99-L134 HydrophobicContact CB-CD1 3.91Å; A99-L134 HydrophobicContact CB-CG 4.46Å; K131-L134 HydrophobicContact CB-CD1 3.8Å; K131-L134 HydrophobicContact CB-CG 4.06Å; K131-L134 HydrophobicContact CD-CD1 3.83Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.21Å; K131-L134 PolarHBondContact O-N 2.97Å; R132-L134 PolarHBondContact O-N 2.83Å; L134-A137 WeakPolarHBondContact O-CB 3.14Å; L134-A137 PolarHBondContact O-N 3.39Å
135P94.9Very high98.1Very high102 Ų10251.5 Ų51.566%0.66226%0.257SS*.THydrogen-bonded Turntrans-60.5145174.127-34.9000110.7A137P135-A137 PolarHBondContact O-N 2.89Å
136N92.9Very high98.1Very high116 Ų11656.2 Ų56.262%0.6228%0.277SS*.THydrogen-bonded Turntrans67.37.6-178.9-50.3-56.6000116R101 L138R101-N136 PolarHBondContact NE-O 3.23Å; R101-N136 PolarHBondContact NH2-O 2.88Å; N136-L138 PolarHBondContact O-N 2.99Å
137A98.3Very high98Very high22 Ų2256.2 Ų56.218%0.18228%0.277CS..  trans-54.5134.6171.600000111.1A98 A99 K131 L134 P135A98-A137 HydrophobicContact CB-CB 4.19Å; A98-A137 CarbonylContact O-C 3.55Å; A98-A137 WeakPolarHBondContact O-CA 3.34Å; A99-A137 HydrophobicContact CB-CB 4.4Å; K131-A137 WeakPolarHBondContact O-CB 3.26Å; L134-A137 WeakPolarHBondContact O-CB 3.14Å; L134-A137 PolarHBondContact O-N 3.39Å; P135-A137 PolarHBondContact O-N 2.89Å
138L98.6Very high98Very high1 Ų159.7 Ų59.71%0.00530%0.296CS..  trans-71.6135.2175.5-60.9174.3000110.3A98 R101 I104 N136 Q142 L143 K146A98-L138 HydrophobicContact CB-CB 4.48Å; A98-L138 PolarHBondContact O-N 2.98Å; R101-L138 HydrophobicContact CG-CD2 4.48Å; I104-L138 HydrophobicContact CD1-CD1 3.69Å; I104-L138 HydrophobicContact CG1-CD1 3.8Å; N136-L138 PolarHBondContact O-N 2.99Å; L138-Q142 HydrophobicContact CB-CB 4.07Å; L138-Q142 HydrophobicContact CD2-CB 3.98Å; L138-L143 HydrophobicContact CB-CD2 3.99Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 3.98Å; L138-K146 HydrophobicContact CD1-CD 3.76Å; L138-K146 HydrophobicContact CD2-CD 4.19Å
139D98.1Very high98Very high66 Ų6660 Ų6035%0.35330%0.297SS..  trans-76.4174.4169.669.624.9000111.8K141 Q142 L143D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 2.74Å; D139-K141 WeakPolarHBondContact OD1-CB 3.11Å; D139-K141 PolarHBondContact OD1-N 2.84Å; D139-Q142 VanDerWaalsContact N-OE1 3.17Å; D139-Q142 PolarHBondContact O-N 3.06Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.12Å; D139-Q142 VanDerWaalsContact OD1-CG 3.3Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.48Å; D139-Q142 PolarHBondContact OD1-N 3.35Å; D139-L143 WeakPolarHBondContact O-CB 3.37Å; D139-L143 VanDerWaalsContact O-CG 3.3Å; D139-L143 WeakPolarHBondContact O-CG 3.49Å; D139-L143 PolarHBondContact O-N 3.41Å
140E98.4Very high98Very high49 Ų4964.1 Ų64.123%0.22933%0.326CS..Hα-helixtrans-56.7-40.4-180-67.884.8170.800112.5R132 L143 I144 S161R132-E140 IonicContact NH1-OE1 2.67Å; R132-E140 PolarHBondContact NH1-OE1 3.37Å; R132-E140 VanDerWaalsContact NH1-OE1 3.13Å; R132-E140 IonicContact NH1-OE2 2.64Å; R132-E140 PolarHBondContact NH1-OE2 3.4Å; E140-L143 PolarHBondContact O-N 3.04Å; E140-I144 WeakPolarHBondContact O-CB 3.45Å; E140-I144 WeakPolarHBondContact O-CD1 3.33Å; E140-I144 WeakPolarHBondContact O-CG1 3.3Å; E140-I144 PolarHBondContact O-N 3.4Å; E140-S161 WeakPolarHBondContact OE1-CA 3.48Å; E140-S161 WeakPolarHBondContact OE1-CB 3.35Å; E140-S161 PolarHBondContact OE1-N 3.48Å
141K98.5Very high97.9Very high161 Ų16166.4 Ų66.470%0.735%0.346SS*.Hα-helixtrans-66.2-46.4-178.2-177.9-177.6176.3-175.90110.7D139 L143 I144 E145D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 2.74Å; D139-K141 WeakPolarHBondContact OD1-CB 3.11Å; D139-K141 PolarHBondContact OD1-N 2.84Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-I144 PolarHBondContact O-N 2.89Å; K141-E145 PolarHBondContact O-N 3.35Å; K141-E145 VanDerWaalsContact O-N 3.08Å
142Q98.7Very high97.9Very high65 Ų6564.9 Ų64.930%0.30434%0.34SS..Hα-helixtrans-65.4-37.2177.5-68.5175.9-42.700111.9L138 D139 K146L138-Q142 HydrophobicContact CB-CB 4.07Å; L138-Q142 HydrophobicContact CD2-CB 3.98Å; D139-Q142 VanDerWaalsContact N-OE1 3.17Å; D139-Q142 PolarHBondContact O-N 3.06Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.12Å; D139-Q142 VanDerWaalsContact OD1-CG 3.3Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.48Å; D139-Q142 PolarHBondContact OD1-N 3.35Å; Q142-K146 VanDerWaalsContact O-CB 3.26Å; Q142-K146 WeakPolarHBondContact O-CB 3.38Å; Q142-K146 WeakPolarHBondContact O-CG 3.48Å; Q142-K146 PolarHBondContact O-N 3.38Å
143L98.8Very high97.9Very high0 Ų068.2 Ų68.20%036%0.36CS..Hα-helixtrans-65.8-47.2174.5-73.4165.9000111.4I96 A98 I104 L138 D139 E140 K141 E145 K146 M147I96-L143 HydrophobicContact CD1-CD2 4.18Å; I96-L143 HydrophobicContact CG2-CD2 4.17Å; A98-L143 HydrophobicContact CB-CD1 4.49Å; I104-L143 HydrophobicContact CD1-CD2 4.43Å; L138-L143 HydrophobicContact CB-CD2 3.99Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 3.98Å; D139-L143 WeakPolarHBondContact O-CB 3.37Å; D139-L143 VanDerWaalsContact O-CG 3.3Å; D139-L143 WeakPolarHBondContact O-CG 3.49Å; D139-L143 PolarHBondContact O-N 3.41Å; E140-L143 PolarHBondContact O-N 3.04Å; K141-L143 VanDerWaalsContact C-N 3.33Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.23Å; L143-K146 PolarHBondContact O-N 3.08Å; L143-M147 WeakPolarHBondContact O-CB 3.08Å; L143-M147 WeakPolarHBondContact O-CG 3.47Å; L143-M147 PolarHBondContact O-N 3.35Å
144I98.7Very high97.8Very high72 Ų7269.1 Ų69.137%0.36937%0.365SS..Hα-helixtrans-54.9-46.5177-74160.1000110.9E140 K141 N148 L149 C159E140-I144 WeakPolarHBondContact O-CB 3.45Å; E140-I144 WeakPolarHBondContact O-CD1 3.33Å; E140-I144 WeakPolarHBondContact O-CG1 3.3Å; E140-I144 PolarHBondContact O-N 3.4Å; K141-I144 PolarHBondContact O-N 2.89Å; I144-N148 PolarHBondContact O-N 2.97Å; I144-L149 HydrophobicContact CG1-CD1 4.04Å; I144-L149 HydrophobicContact CG2-CB 4.48Å; I144-L149 PolarHBondContact O-N 3.45Å; I144-C159 HydrophobicContact CD1-CB 4.29Å; I144-C159 HydrophobicContact CG1-CB 3.91Å
145E98.7Very high97.8Very high142 Ų14266.9 Ų66.966%0.66435%0.351SS*.Hα-helixtrans-66.9-55.5178.7-175.8-178.5-17900111.8K141 L143 M147 N148K141-E145 PolarHBondContact O-N 3.35Å; K141-E145 VanDerWaalsContact O-N 3.08Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.23Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 3.32Å; E145-N148 PolarHBondContact O-N 3.01Å
146K98.7Very high97.9Very high100 Ų10066.7 Ų66.744%0.43534%0.342SS..Hα-helixtrans-68.7-32.6-173.8-73-177.6173.8-65.90113.4I104 R108 L138 Q142 L143I104-K146 HydrophobicContact CG2-CB 3.75Å; I104-K146 HydrophobicContact CG2-CD 4.26Å; R108-K146 WeakPolarHBondContact CD-O 3.37Å; L138-K146 HydrophobicContact CD1-CD 3.76Å; L138-K146 HydrophobicContact CD2-CD 4.19Å; Q142-K146 VanDerWaalsContact O-CB 3.26Å; Q142-K146 WeakPolarHBondContact O-CB 3.38Å; Q142-K146 WeakPolarHBondContact O-CG 3.48Å; Q142-K146 PolarHBondContact O-N 3.38Å; L143-K146 PolarHBondContact O-N 3.08Å
147M98.7Very high98.2Very high0 Ų063.4 Ų63.40%032%0.324CS..THydrogen-bonded Turntrans-83.1-3.2175.1-60.6-63.9-62.600112.4Y94 I96 I104 R108 L111 H112 L143 E145 L149Y94-M147 HydrophobicContact CE1-CE 4.01Å; I96-M147 HydrophobicContact CD1-CE 3.57Å; I96-M147 HydrophobicContact CD1-CG 3.62Å; I96-M147 HydrophobicContact CD1-SD 3.67Å; I96-M147 HydrophobicContact CG1-CE 4.2Å; I104-M147 HydrophobicContact CG2-SD 4.06Å; R108-M147 VanDerWaalsContact CA-CE 3.45Å; R108-M147 HydrophobicContact CB-CE 4.11Å; R108-M147 HydrophobicContact CB-SD 4.04Å; L111-M147 HydrophobicContact CB-CE 4.22Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; H112-M147 PolarHBondContact NE2-O 3.31Å; L143-M147 WeakPolarHBondContact O-CB 3.08Å; L143-M147 WeakPolarHBondContact O-CG 3.47Å; L143-M147 PolarHBondContact O-N 3.35Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 3.32Å; M147-L149 VanDerWaalsContact C-N 3.3Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.86Å; M147-L149 PolarHBondContact O-N 2.79Å
148N98.6Very high98.2Very high72 Ų7263.7 Ų63.739%0.38532%0.324SS..THydrogen-bonded Turntrans52.346.7-178.8-168.932.5000112.3H112 I144 E145 S150 A151H112-N148 PolarHBondContact CE1-O 2.96Å; H112-N148 PolarHBondContact NE2-O 3.19Å; I144-N148 PolarHBondContact O-N 2.97Å; E145-N148 PolarHBondContact O-N 3.01Å; N148-S150 PolarHBondContact O-N 3.24Å; N148-A151 VanDerWaalsContact ND2-CB 3.32Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 3.28Å
149L98.7Very high98.2Very high7 Ų764.3 Ų64.34%0.03733%0.328CS..G310 helixtrans-69.4-24.9-174.5-57.6-171.8000112.3L111 V127 I144 M147 A151 I152 I157 C159L111-L149 HydrophobicContact CD2-CD2 3.68Å; V127-L149 HydrophobicContact CB-CD1 4.14Å; V127-L149 HydrophobicContact CG1-CD1 4.32Å; V127-L149 HydrophobicContact CG2-CD1 3.93Å; V127-L149 HydrophobicContact CG2-CD2 4.04Å; I144-L149 HydrophobicContact CG1-CD1 4.04Å; I144-L149 HydrophobicContact CG2-CB 4.48Å; I144-L149 PolarHBondContact O-N 3.45Å; M147-L149 VanDerWaalsContact C-N 3.3Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.86Å; M147-L149 PolarHBondContact O-N 2.79Å; L149-A151 PolarHBondContact O-N 2.92Å; L149-I152 HydrophobicContact CD2-CD1 4.22Å; L149-I152 WeakPolarHBondContact O-CB 3.31Å; L149-I152 PolarHBondContact O-N 3.39Å; L149-I152 VanDerWaalsContact O-N 3.11Å; L149-I157 HydrophobicContact CB-CD1 4.17Å; L149-I157 HydrophobicContact CD1-CD1 4.43Å; L149-I157 HydrophobicContact CD2-CD1 3.92Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; L149-C159 HydrophobicContact CD1-CB 3.85Å
150S97.5Very high98.2Very high86 Ų8663.8 Ų63.860%0.60132%0.322SS*.G310 helixtrans-66-18.8176.552.30000114.1N148 I152N148-S150 PolarHBondContact O-N 3.24Å; S150-I152 VanDerWaalsContact C-N 3.28Å
151A98.1Very high98.2Very high54 Ų5461.5 Ų61.545%0.44631%0.311SS..G310 helixtrans-76-17.117400000112.9N148 L149 Q153N148-A151 VanDerWaalsContact ND2-CB 3.32Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 3.28Å; L149-A151 PolarHBondContact O-N 2.92Å; A151-Q153 PolarHBondContact O-N 2.8Å
152I98.2Very high98.2Very high17 Ų1753.9 Ų53.99%0.08728%0.278CS..  trans-86.9106.6178.7-60.8159.7000107.9L111 L115 L149 S150 R155 I157L111-I152 HydrophobicContact CD2-CD1 4.43Å; L115-I152 HydrophobicContact CD1-CD1 3.5Å; L115-I152 HydrophobicContact CD1-CG1 4.12Å; L115-I152 HydrophobicContact CD1-CG2 4.24Å; L149-I152 HydrophobicContact CD2-CD1 4.22Å; L149-I152 WeakPolarHBondContact O-CB 3.31Å; L149-I152 PolarHBondContact O-N 3.39Å; L149-I152 VanDerWaalsContact O-N 3.11Å; S150-I152 VanDerWaalsContact C-N 3.28Å; I152-R155 HydrophobicContact CG2-CG 3.62Å; I152-I157 HydrophobicContact CB-CD1 4.26Å; I152-I157 HydrophobicContact CD1-CD1 3.48Å; I152-I157 VanDerWaalsContact CD1-CD1 3.48Å; I152-I157 HydrophobicContact CG1-CD1 4.48Å; I152-I157 HydrophobicContact CG2-CD1 4.28Å
153Q96.4Very high98.2Very high175 Ų17550.8 Ų50.882%0.81826%0.263SS*.  trans-120.1-6.5-172.8-61.9-175-6.500113.9A151A151-Q153 PolarHBondContact O-N 2.8Å
154D95.9Very high98.2Very high73 Ų7350.8 Ų50.839%0.3926%0.264SS..SBendtrans-92.15.9-173.272.9-37000113.9G122G122-D154 WeakPolarHBondContact CA-O 3.5Å
155R97.4Very high98.1Very high24 Ų2451.5 Ų51.59%0.09126%0.264CS..SBendtrans-160.1163.5-174.564.5-164.268.9-141.15.5111.6L115 L120 I123 I152L115-R155 PolarHBondContact O-NH2 3.16Å; L115-R155 VanDerWaalsContact O-NH2 3.15Å; L120-R155 PolarHBondContact O-NH1 3.27Å; L120-R155 PolarHBondContact O-NH2 3.48Å; I123-R155 WeakPolarHBondContact O-CD 3.28Å; I123-R155 PolarHBondContact O-NH1 3.04Å; I152-R155 HydrophobicContact CG2-CG 3.62Å
156E97.8Very high98Very high98 Ų9849.9 Ų49.946%0.45826%0.256SS..  trans-66.9132.6164.1-178.2176.5159.200110P124 V125 W176 H180P124-E156 WeakPolarHBondContact CA-O 3.42Å; P124-E156 HydrophobicContact CB-CB 4.35Å; V125-E156 PolarHBondContact N-O 2.94Å; E156-W176 HydrophobicContact CG-CZ2 4.36Å; E156-W176 WeakPolarHBondContact OE1-CZ2 3.36Å; E156-W176 PolarHBondContact OE1-NE1 2.67Å; E156-W176 VanDerWaalsContact OE1-NE1 3.13Å; E156-H180 IonicContact OE1-CE1 3.22Å; E156-H180 PolarHBondContact OE1-CE1 3.36Å; E156-H180 IonicContact OE1-NE2 3.72Å; E156-H180 IonicContact OE2-CE1 3.34Å; E156-H180 IonicContact OE2-NE2 3.52Å; E156-H180 PolarHBondContact OE2-NE2 2.87Å
157I98.4Very high97.9Very high48 Ų4850.3 Ų50.325%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-133.3130.9172.9-169.3160.4000110.7V125 V127 L149 I152V125-I157 HydrophobicContact CB-CD1 4.32Å; V125-I157 HydrophobicContact CB-CG1 4.18Å; V125-I157 HydrophobicContact CG1-CD1 4.25Å; V125-I157 HydrophobicContact CG1-CG1 4.36Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.29Å; V127-I157 HydrophobicContact CG2-CD1 4.17Å; V127-I157 HydrophobicContact CG2-CG1 4.34Å; L149-I157 HydrophobicContact CB-CD1 4.17Å; L149-I157 HydrophobicContact CD1-CD1 4.43Å; L149-I157 HydrophobicContact CD2-CD1 3.92Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; I152-I157 HydrophobicContact CB-CD1 4.26Å; I152-I157 HydrophobicContact CD1-CD1 3.48Å; I152-I157 VanDerWaalsContact CD1-CD1 3.48Å; I152-I157 HydrophobicContact CG1-CD1 4.48Å; I152-I157 HydrophobicContact CG2-CD1 4.28Å
158C98.4Very high97.8Very high27 Ų2753.7 Ų53.718%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-126.3151.6176.2-165.90000110.1V125 L126 V127 Y160 W176V125-C158 PolarHBondContact O-N 2.83Å; L126-C158 HydrophobicContact CD1-CB 3.86Å; V127-C158 PolarHBondContact N-O 3.44Å; C158-Y160 VanDerWaalsContact SG-CZ 3.58Å; C158-W176 HydrophobicContact CB-CZ2 4.06Å
159C98.8Very high97.8Very high15 Ų1552.4 Ų52.410%0.10127%0.27CS..EExtended strand (participates in β ladder)trans-135125-179.7-175.90000110.7V127 I144 L149V127-C159 HydrophobicContact CB-CB 4.3Å; V127-C159 VanDerWaalsContact O-CA 3.29Å; V127-C159 WeakPolarHBondContact O-CA 3.24Å; I144-C159 HydrophobicContact CD1-CB 4.29Å; I144-C159 HydrophobicContact CG1-CB 3.91Å; L149-C159 HydrophobicContact CD1-CB 3.85Å
160Y98.7Very high97.8Very high55 Ų5552.9 Ų52.922%0.21627%0.272CS..EExtended strand (participates in β ladder)trans-125.4141.8173.4-62.1-37.5000111.2L126 V127 L128 G129 C158 I172 W176L126-Y160 HydrophobicContact CD1-CD2 3.91Å; L126-Y160 HydrophobicContact CD1-CE2 4.1Å; V127-Y160 PolarHBondContact O-N 2.68Å; L128-Y160 WeakPolarHBondContact CA-O 3.36Å; L128-Y160 HydrophobicContact CD2-CD2 4.43Å; G129-Y160 PolarHBondContact N-O 2.83Å; C158-Y160 VanDerWaalsContact SG-CZ 3.58Å; Y160-I172 HydrophobicContact CD1-CD1 4.34Å; Y160-I172 HydrophobicContact CD2-CG1 4.46Å; Y160-I172 HydrophobicContact CE1-CD1 4.48Å; Y160-I172 HydrophobicContact CG-CD1 4.4Å; Y160-W176 HydrophobicContact CE2-CB 3.95Å; Y160-W176 HydrophobicContact CE2-CG 4.34Å
161S98.5Very high97.7Very high1 Ų153.4 Ų53.41%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-94.4125.4168.2-173.20000108.5G129 R132 E140 N169G129-S161 CarbonylContact O-C 3.54Å; G129-S161 WeakPolarHBondContact O-CA 3.21Å; R132-S161 WeakPolarHBondContact CD-OG 3.3Å; E140-S161 WeakPolarHBondContact OE1-CA 3.48Å; E140-S161 WeakPolarHBondContact OE1-CB 3.35Å; E140-S161 PolarHBondContact OE1-N 3.48Å; S161-N169 PolarHBondContact O-ND2 2.87Å
162I98.7Very high97.6Very high0 Ų053.4 Ų53.40%026%0.26CS..  trans-129.8162-171.270.4166.6000111.2F36 M95 L128 G129 N130 K131 R132 D168 N169 I170F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.27Å; M95-I162 HydrophobicContact CE-CD1 4.24Å; M95-I162 HydrophobicContact SD-CD1 4.42Å; L128-I162 HydrophobicContact CB-CD1 4.14Å; L128-I162 HydrophobicContact CB-CG1 4.48Å; L128-I162 HydrophobicContact CD1-CD1 4.06Å; L128-I162 HydrophobicContact CD2-CG2 4.14Å; L128-I162 HydrophobicContact CG-CD1 4.5Å; G129-I162 PolarHBondContact O-N 3.5Å; N130-I162 CarbonylContact C-O 3.53Å; N130-I162 WeakPolarHBondContact CA-O 3.11Å; N130-I162 HydrophobicContact CB-CD1 4.31Å; N130-I162 HydrophobicContact CB-CG1 3.96Å; K131-I162 PolarHBondContact N-O 3.35Å; K131-I162 VanDerWaalsContact N-O 3.15Å; R132-I162 VanDerWaalsContact CB-O 3.3Å; R132-I162 WeakPolarHBondContact CB-O 3.5Å; R132-I162 PolarHBondContact N-O 3.46Å; I162-D168 WeakPolarHBondContact CB-O 3.48Å; I162-N169 HydrophobicContact CG2-CB 3.93Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.07Å
163S98.5Very high97.5Very high0 Ų052.6 Ų52.60%026%0.256CS..  trans-124.2116.5160.3179.30000109.3D133 K165 E166 K167 D168D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 WeakPolarHBondContact OD1-CB 3.26Å; D133-S163 PolarHBondContact OD1-OG 3.26Å; S163-K165 PolarHBondContact O-N 3.37Å; S163-K165 PolarHBondContact OG-N 2.8Å; S163-E166 PolarHBondContact OG-N 2.85Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.3Å; S163-K167 PolarHBondContact O-N 3.24Å; S163-D168 PolarHBondContact N-O 3.29Å; S163-D168 PolarHBondContact O-N 2.77Å; S163-D168 VanDerWaalsContact O-N 3.16Å
164C97.9Very high97.5Very high1 Ų145.2 Ų45.21%0.00722%0.222CC..THydrogen-bonded Turntrans-67.5-26.6168.5-670000112.2T35 V39 N130T35-C164 HydrophobicContact CG2-CB 3.77Å; V39-C164 HydrophobicContact CG2-CB 4.16Å; V39-C164 WeakPolarHBondContact CG2-O 3.46Å; N130-C164 PolarHBondContact OD1-N 3.39Å; N130-C164 PolarHBondContact OD1-SG 3.43Å
165K96.8Very high97.4Very high87 Ų8747 Ų4738%0.37823%0.228SC..THydrogen-bonded Turntrans-73.3-55.7-179-179.6-177.9172.3-177.50110.7F45 S163 K167F45-K165 HydrophobicContact CD1-CG 4.17Å; F45-K165 HydrophobicContact CD2-CB 4.19Å; F45-K165 HydrophobicContact CE1-CB 4.25Å; F45-K165 HydrophobicContact CE1-CD 4.28Å; F45-K165 HydrophobicContact CE1-CG 3.78Å; F45-K165 HydrophobicContact CE2-CB 3.85Å; F45-K165 HydrophobicContact CE2-CG 4.3Å; F45-K165 HydrophobicContact CZ-CB 3.89Å; F45-K165 HydrophobicContact CZ-CD 4.27Å; F45-K165 HydrophobicContact CZ-CG 3.87Å; S163-K165 PolarHBondContact O-N 3.37Å; S163-K165 PolarHBondContact OG-N 2.8Å; K165-K167 VanDerWaalsContact C-N 3.33Å
166E97Very high97.4Very high107 Ų10746.5 Ų46.550%0.523%0.226SC..THydrogen-bonded Turntrans-86.1-7.9-178-55.7-54145.300112.8D133 S163 D168D133-E166 HydrophobicContact CB-CG 3.74Å; S163-E166 PolarHBondContact OG-N 2.85Å; E166-D168 VanDerWaalsContact C-N 3.27Å; E166-D168 PolarHBondContact O-N 2.94Å
167K96.3Very high97.2Very high110 Ų11041.9 Ų41.948%0.47820%0.204SC..  trans66.823.5-177.9-53.5172.9180174.20114.3V39 G43 S163 K165 N169 I170V39-K167 HydrophobicContact CG1-CG 4.3Å; G43-K167 WeakPolarHBondContact O-CE 3.48Å; G43-K167 PolarHBondContact O-NZ 2.72Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.3Å; S163-K167 PolarHBondContact O-N 3.24Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K167-N169 PolarHBondContact O-N 3.05Å; K167-I170 HydrophobicContact CB-CG1 4.27Å; K167-I170 WeakPolarHBondContact O-CG1 3.13Å
168D97.9Very high96.9Very high70 Ų7042 Ų4237%0.37421%0.205SC..THydrogen-bonded Turntrans-63132.7174.2-63.2-23.7000111.3I162 S163 E166 I170I162-D168 WeakPolarHBondContact CB-O 3.48Å; S163-D168 PolarHBondContact N-O 3.29Å; S163-D168 PolarHBondContact O-N 2.77Å; S163-D168 VanDerWaalsContact O-N 3.16Å; E166-D168 VanDerWaalsContact C-N 3.27Å; E166-D168 PolarHBondContact O-N 2.94Å; D168-I170 PolarHBondContact O-N 3.39Å
169N98.2Very high96.6Very high46 Ų4647.3 Ų47.325%0.24623%0.227CC..THydrogen-bonded Turntrans5916173.4-66.2-22.1000115.5S161 I162 K167 I172 T173S161-N169 PolarHBondContact O-ND2 2.87Å; I162-N169 HydrophobicContact CG2-CB 3.93Å; K167-N169 PolarHBondContact O-N 3.05Å; N169-I172 HydrophobicContact CB-CD1 3.72Å; N169-I172 HydrophobicContact CB-CG1 3.8Å; N169-I172 VanDerWaalsContact O-CG1 3.24Å; N169-I172 WeakPolarHBondContact O-CG1 3.33Å; N169-T173 VanDerWaalsContact O-CB 3.31Å; N169-T173 WeakPolarHBondContact O-CB 3.45Å; N169-T173 PolarHBondContact O-N 3.33Å; N169-T173 VanDerWaalsContact O-N 3.15Å; N169-T173 PolarHBondContact O-OG1 2.94Å
170I97.3Very high96.3Very high16 Ų1647.5 Ų47.58%0.08223%0.227CC..Hα-helixtrans-69.6-36177.5-60.5-60.5000111.4F36 V39 I40 I162 K167 D168 T173 L174F36-I170 HydrophobicContact CD2-CD1 4.12Å; F36-I170 HydrophobicContact CE2-CD1 4.07Å; V39-I170 HydrophobicContact CG1-CD1 4.46Å; V39-I170 HydrophobicContact CG1-CG1 4.28Å; V39-I170 HydrophobicContact CG1-CG2 4.32Å; I40-I170 HydrophobicContact CG2-CG2 4.14Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.07Å; K167-I170 HydrophobicContact CB-CG1 4.27Å; K167-I170 WeakPolarHBondContact O-CG1 3.13Å; D168-I170 PolarHBondContact O-N 3.39Å; I170-T173 WeakPolarHBondContact O-CB 3.47Å; I170-T173 PolarHBondContact O-N 2.93Å; I170-L174 HydrophobicContact CG2-CD1 4.27Å; I170-L174 WeakPolarHBondContact O-CG 3.3Å; I170-L174 PolarHBondContact O-N 3.48Å
171D95.3Very high95.7Very high97 Ų9745.1 Ų45.152%0.51922%0.218SC..Hα-helixtrans-65.6-49.5177.759.7-25.6000112.4T173 L174 Q175D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.31Å; D171-L174 PolarHBondContact O-N 3.13Å; D171-Q175 WeakPolarHBondContact O-CG 3.32Å; D171-Q175 PolarHBondContact O-N 2.8Å
172I96.5Very high94.4Very high54 Ų5451.5 Ų51.528%0.27725%0.246SC..Hα-helixtrans-64.4-35176.365.2171.7000111.5Y160 N169 Q175 W176Y160-I172 HydrophobicContact CD1-CD1 4.34Å; Y160-I172 HydrophobicContact CD2-CG1 4.46Å; Y160-I172 HydrophobicContact CE1-CD1 4.48Å; Y160-I172 HydrophobicContact CG-CD1 4.4Å; N169-I172 HydrophobicContact CB-CD1 3.72Å; N169-I172 HydrophobicContact CB-CG1 3.8Å; N169-I172 VanDerWaalsContact O-CG1 3.24Å; N169-I172 WeakPolarHBondContact O-CG1 3.33Å; I172-Q175 PolarHBondContact O-N 3.04Å; I172-W176 PolarHBondContact O-N 2.89Å
173T97.6Very high92.5Very high0 Ų055.1 Ų55.10%027%0.271CS..Hα-helixtrans-61.3-47.9173-65.20000110.8F36 L126 L128 N169 I170 D171 Q175 W176 L177F36-T173 HydrophobicContact CE2-CG2 3.85Å; F36-T173 HydrophobicContact CZ-CG2 3.65Å; L126-T173 HydrophobicContact CD2-CG2 3.9Å; L128-T173 HydrophobicContact CD1-CG2 3.89Å; L128-T173 HydrophobicContact CD2-CG2 3.93Å; N169-T173 VanDerWaalsContact O-CB 3.31Å; N169-T173 WeakPolarHBondContact O-CB 3.45Å; N169-T173 PolarHBondContact O-N 3.33Å; N169-T173 VanDerWaalsContact O-N 3.15Å; N169-T173 PolarHBondContact O-OG1 2.94Å; I170-T173 WeakPolarHBondContact O-CB 3.47Å; I170-T173 PolarHBondContact O-N 2.93Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.31Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.1Å; T173-W176 PolarHBondContact O-N 2.64Å; T173-L177 HydrophobicContact CG2-CD1 4.29Å; T173-L177 WeakPolarHBondContact O-CG 3.27Å; T173-L177 PolarHBondContact O-N 3.33Å; T173-L177 VanDerWaalsContact O-N 3.12Å
174L95.6Very high90.3Very high21 Ų2163.3 Ų63.311%0.1130%0.302CS..Hα-helixtrans-65.1-36.4176.9-74.8173.5000112.3I40 K62 I67 I170 D171 L177 I178I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.38Å; I40-L174 HydrophobicContact CG2-CD2 3.98Å; I40-L174 HydrophobicContact CG2-CG 4.34Å; K62-L174 HydrophobicContact CD-CD1 4.42Å; K62-L174 HydrophobicContact CG-CD1 4.45Å; K62-L174 HydrophobicContact CG-CD2 4.49Å; I67-L174 HydrophobicContact CD1-CD2 4.42Å; I170-L174 HydrophobicContact CG2-CD1 4.27Å; I170-L174 WeakPolarHBondContact O-CG 3.3Å; I170-L174 PolarHBondContact O-N 3.48Å; D171-L174 PolarHBondContact O-N 3.13Å; L174-L177 PolarHBondContact O-N 2.88Å; L174-I178 WeakPolarHBondContact O-CB 3.4Å; L174-I178 WeakPolarHBondContact O-CD1 3.44Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.15Å
175Q94.3Very high87.6Confident111 Ų11174.3 Ų74.352%0.51934%0.344SS..Hα-helixtrans-62.3-47.1175.8-73173.78.400111.6D171 I172 T173 L177 I178 Q179D171-Q175 WeakPolarHBondContact O-CG 3.32Å; D171-Q175 PolarHBondContact O-N 2.8Å; I172-Q175 PolarHBondContact O-N 3.04Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.1Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.47Å; Q175-I178 PolarHBondContact O-N 3.2Å; Q175-Q179 VanDerWaalsContact O-CG 3.3Å; Q175-Q179 WeakPolarHBondContact O-CG 3.34Å; Q175-Q179 PolarHBondContact O-N 2.99Å
176W95.8Very high84.7Confident12 Ų1278.9 Ų78.95%0.04539%0.386CS..Hα-helixtrans-59.2-43.6176.2-173.393.9000111.4A91 P124 L126 E156 C158 Y160 I172 T173 Q179 H180A91-W176 HydrophobicContact CB-CH2 4.18Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å; P124-W176 HydrophobicContact CB-CH2 3.9Å; P124-W176 HydrophobicContact CB-CZ2 4.42Å; L126-W176 HydrophobicContact CB-CE3 3.92Å; L126-W176 HydrophobicContact CB-CH2 3.97Å; L126-W176 HydrophobicContact CB-CZ3 3.59Å; L126-W176 HydrophobicContact CD1-CD2 4.08Å; L126-W176 HydrophobicContact CD1-CE3 4.14Å; L126-W176 HydrophobicContact CD1-CG 4.46Å; L126-W176 HydrophobicContact CD2-CD2 4.38Å; L126-W176 HydrophobicContact CD2-CE3 3.74Å; L126-W176 HydrophobicContact CD2-CZ3 4.22Å; L126-W176 HydrophobicContact CG-CE3 4.15Å; L126-W176 HydrophobicContact CG-CZ3 4.34Å; E156-W176 HydrophobicContact CG-CZ2 4.36Å; E156-W176 WeakPolarHBondContact OE1-CZ2 3.36Å; E156-W176 PolarHBondContact OE1-NE1 2.67Å; E156-W176 VanDerWaalsContact OE1-NE1 3.13Å; C158-W176 HydrophobicContact CB-CZ2 4.06Å; Y160-W176 HydrophobicContact CE2-CB 3.95Å; Y160-W176 HydrophobicContact CE2-CG 4.34Å; I172-W176 PolarHBondContact O-N 2.89Å; T173-W176 PolarHBondContact O-N 2.64Å; W176-Q179 PolarHBondContact O-N 3.42Å; W176-H180 AromaticContact CD2-CE1 3.8Å; W176-H180 AromaticContact CD2-ND1 3.74Å; W176-H180 AromaticContact CE2-CE1 3.28Å; W176-H180 AromaticContact CE2-ND1 3.72Å; W176-H180 AromaticContact CE3-ND1 3.77Å; W176-H180 AromaticContact CH2-CE1 3.68Å; W176-H180 AromaticContact CH2-ND1 3.86Å; W176-H180 AromaticContact CH2-NE2 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.25Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.47Å; W176-H180 AromaticContact CZ2-ND1 3.81Å; W176-H180 AromaticContact CZ2-NE2 3.7Å; W176-H180 AromaticContact CZ3-ND1 3.82Å; W176-H180 AromaticContact NE1-CE1 3.64Å; W176-H180 PolarHBondContact O-N 3.22Å; W176-H180 PolarHBondContact O-ND1 3.45Å
177L95.4Very high84.1Confident1 Ų177.5 Ų77.51%0.00538%0.381CS..Hα-helixtrans-63.8-45.6176.9-66170.5000111.8M21 L23 V93 L126 T173 L174 Q175 Q179 H180 S181M21-L177 HydrophobicContact CE-CB 4.36Å; M21-L177 HydrophobicContact CE-CD2 4.46Å; M21-L177 WeakPolarHBondContact CE-O 3.43Å; M21-L177 HydrophobicContact SD-CB 4.22Å; L23-L177 HydrophobicContact CD1-CD1 3.94Å; L23-L177 HydrophobicContact CD1-CD2 3.82Å; L23-L177 HydrophobicContact CD1-CG 4.32Å; L23-L177 HydrophobicContact CD2-CD2 3.86Å; V93-L177 HydrophobicContact CG2-CD2 3.83Å; L126-L177 HydrophobicContact CD2-CD2 3.89Å; L126-L177 HydrophobicContact CD2-CG 4.04Å; T173-L177 HydrophobicContact CG2-CD1 4.29Å; T173-L177 WeakPolarHBondContact O-CG 3.27Å; T173-L177 PolarHBondContact O-N 3.33Å; T173-L177 VanDerWaalsContact O-N 3.12Å; L174-L177 PolarHBondContact O-N 2.88Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.47Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.11Å; L177-H180 WeakPolarHBondContact O-CA 3.21Å; L177-H180 WeakPolarHBondContact O-CB 3.36Å; L177-H180 PolarHBondContact O-N 2.97Å; L177-S181 PolarHBondContact O-N 3.04Å
178I91.8Very high83.4Confident52 Ų5275.7 Ų75.727%0.26738%0.375SS..Hα-helixtrans-62.9-35.7179.9-73.8166.6000111.4K62 V65 L174 Q175 H180 S181K62-I178 HydrophobicContact CB-CD1 4.3Å; V65-I178 HydrophobicContact CB-CG1 4.49Å; V65-I178 HydrophobicContact CG2-CG1 4.27Å; V65-I178 HydrophobicContact CG2-CG2 3.96Å; L174-I178 WeakPolarHBondContact O-CB 3.4Å; L174-I178 WeakPolarHBondContact O-CD1 3.44Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.15Å; Q175-I178 PolarHBondContact O-N 3.2Å; I178-H180 PolarHBondContact O-N 2.58Å; I178-S181 WeakPolarHBondContact O-CB 3.34Å; I178-S181 PolarHBondContact O-N 3.17Å; I178-S181 PolarHBondContact O-OG 3.32Å
179Q91.5Very high82.6Confident137 Ų13776.1 Ų76.164%0.6438%0.375SS*.Hα-helixtrans-60.1-31.6174.4-71.8169.84.800112.3Q175 W176 L177Q175-Q179 VanDerWaalsContact O-CG 3.3Å; Q175-Q179 WeakPolarHBondContact O-CG 3.34Å; Q175-Q179 PolarHBondContact O-N 2.99Å; W176-Q179 PolarHBondContact O-N 3.42Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.11Å
180H92.8Very high81.7Confident19 Ų1977.8 Ų77.89%0.08838%0.383CS..THydrogen-bonded Turntrans-85.3-1.4177.4-71.683.6000114.4M21 N90 E156 W176 L177 I178 K182 S183M21-H180 HydrophobicContact CE-CB 3.55Å; N90-H180 PolarHBondContact ND2-O 3.26Å; E156-H180 IonicContact OE1-CE1 3.22Å; E156-H180 PolarHBondContact OE1-CE1 3.36Å; E156-H180 IonicContact OE1-NE2 3.72Å; E156-H180 IonicContact OE2-CE1 3.34Å; E156-H180 IonicContact OE2-NE2 3.52Å; E156-H180 PolarHBondContact OE2-NE2 2.87Å; W176-H180 AromaticContact CD2-CE1 3.8Å; W176-H180 AromaticContact CD2-ND1 3.74Å; W176-H180 AromaticContact CE2-CE1 3.28Å; W176-H180 AromaticContact CE2-ND1 3.72Å; W176-H180 AromaticContact CE3-ND1 3.77Å; W176-H180 AromaticContact CH2-CE1 3.68Å; W176-H180 AromaticContact CH2-ND1 3.86Å; W176-H180 AromaticContact CH2-NE2 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.25Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.47Å; W176-H180 AromaticContact CZ2-ND1 3.81Å; W176-H180 AromaticContact CZ2-NE2 3.7Å; W176-H180 AromaticContact CZ3-ND1 3.82Å; W176-H180 AromaticContact NE1-CE1 3.64Å; W176-H180 PolarHBondContact O-N 3.22Å; W176-H180 PolarHBondContact O-ND1 3.45Å; L177-H180 WeakPolarHBondContact O-CA 3.21Å; L177-H180 WeakPolarHBondContact O-CB 3.36Å; L177-H180 PolarHBondContact O-N 2.97Å; I178-H180 PolarHBondContact O-N 2.58Å; H180-K182 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.41Å; H180-S183 PolarHBondContact O-OG 3.11Å
181S86.7Confident80.8Confident6 Ų681.7 Ų81.74%0.04240%0.402CS..THydrogen-bonded Turntrans-71.9-25.2176.2680000113E19 L177 I178E19-S181 PolarHBondContact OE2-OG 2.83Å; E19-S181 VanDerWaalsContact OE2-OG 3.11Å; L177-S181 PolarHBondContact O-N 3.04Å; I178-S181 WeakPolarHBondContact O-CB 3.34Å; I178-S181 PolarHBondContact O-N 3.17Å; I178-S181 PolarHBondContact O-OG 3.32Å
182K70.4Confident79.8Confident134 Ų13480.7 Ų80.758%0.58339%0.394SS*.G310 helixtrans-82.3-17.5-176-67.7-178.1179.1176.50114.6E19 H180 R184 R185E19-K182 VanDerWaalsContact OE1-CE 3.24Å; E19-K182 WeakPolarHBondContact OE1-CE 3.45Å; E19-K182 WeakPolarHBondContact OE1-CG 3.26Å; E19-K182 WeakPolarHBondContact OE2-CE 3.24Å; E19-K182 WeakPolarHBondContact OE2-CG 3.44Å; H180-K182 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.41Å; K182-R184 PolarHBondContact O-N 3.27Å; K182-R185 PolarHBondContact O-N 3.32Å
183S58.9Low78.6Confident77 Ų7782.6 Ų82.654%0.53840%0.402SS..G310 helixtrans-65.9-7.4-168.659.30000114.5H180 R185H180-S183 PolarHBondContact O-OG 3.11Å; S183-R185 PolarHBondContact O-N 2.91Å
184R52.2Low77.1Confident172 Ų17288.9 Ų88.965%0.64943%0.433SS*.G310 helixtrans-81.910178.7-136.3174.6170-175.1-1114.9K182 S186K182-R184 PolarHBondContact O-N 3.27Å; R184-S186 VanDerWaalsContact C-N 3.28Å; R184-S186 PolarHBondContact O-N 2.93Å; R184-S186 VanDerWaalsContact O-N 3.16Å
185R41.7Very low75.6Confident232 Ų23294.6 Ų94.688%0.87546%0.46SS*.  trans-83.769.1169-74.1-172.9174.1-173.1-0.5111K182 S183K182-R185 PolarHBondContact O-N 3.32Å; S183-R185 PolarHBondContact O-N 2.91Å
186S35.6Very low73.9Confident182 Ų18293.1 Ų93.1100%1.27346%0.455SS*.  trans-150.40148.978.80000109.9R184R184-S186 VanDerWaalsContact C-N 3.28Å; R184-S186 PolarHBondContact O-N 2.93Å; R184-S186 VanDerWaalsContact O-N 3.16Å

Retrieved 186 of 186 residues in 95.1 ms (Link to these results)

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