A0A096MRJ4_PAPAN Loading...

NFKB inhibitor interacting Ras like 1

AlphaFold DB (Q9BH04), UniProt , Accession A0A096MRJ4, Species PAPAN (Papio anubis, Olive baboon), Gene NKIRAS1, Length 192 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
1M37Very low84.2Confident244 Ų24457.8 Ų57.8100%1.20232%0.319SS*.  0113.50-81177.8154.800107.5
2G53.2Low85.3Confident79 Ų7953.8 Ų53.881%0.81430%0.297SS*.PPolyproline II helixtrans-63.2136.9176.500000109.4G4G2-G4 PolarHBondContact O-N 3.14Å
3K71.4Confident86Confident206 Ų20652.9 Ų52.990%0.89629%0.291SS*.PPolyproline II helixtrans-64.8118.8172.8-69.3179.7178.4178.20106.8
4G86.4Confident86.6Confident15 Ų1555.1 Ų55.116%0.15531%0.311CS..PPolyproline II helixtrans-59.6146.6173.400000110.7G2 Q56G2-G4 PolarHBondContact O-N 3.14Å; G4-Q56 CarbonylContact C-O 3.48Å; G4-Q56 VanDerWaalsContact CA-O 3.24Å; G4-Q56 WeakPolarHBondContact CA-O 3.46Å
5C93.8Very high87.2Confident16 Ų1651.4 Ų51.411%0.10829%0.291CS..EExtended strand (participates in β ladder)trans-75.3131.1179.5-58.40000109.8Q56 L57 H58 D80 L168C5-Q56 PolarHBondContact N-O 3.16Å; C5-L57 HydrophobicContact CB-CD2 3.93Å; C5-L57 CarbonylContact O-C 3.6Å; C5-L57 WeakPolarHBondContact O-CA 3.12Å; C5-H58 PolarHBondContact O-N 3.08Å; C5-D80 WeakPolarHBondContact CA-OD2 3.45Å; C5-D80 HydrophobicContact CB-CB 4.37Å; C5-L168 HydrophobicContact CB-CB 4.14Å; C5-L168 HydrophobicContact CB-CD1 3.95Å
6K95.3Very high87.7Confident75 Ų7549.2 Ų49.233%0.32628%0.283SS..EExtended strand (participates in β ladder)trans-90.3118.2-179.4-60.1-178.2-175.91780109.6Y60 F78 D80 G81K6-Y60 HydrophobicContact CB-CD2 4.35Å; K6-Y60 HydrophobicContact CB-CE2 3.72Å; K6-Y60 HydrophobicContact CD-CE2 4.15Å; K6-Y60 HydrophobicContact CG-CE2 3.85Å; K6-F78 HydrophobicContact CB-CD2 3.92Å; K6-F78 HydrophobicContact CB-CE2 4.04Å; K6-F78 HydrophobicContact CD-CD2 3.47Å; K6-F78 VanDerWaalsContact CD-CD2 3.47Å; K6-F78 HydrophobicContact CD-CE2 4.07Å; K6-F78 HydrophobicContact CD-CG 4.4Å; K6-F78 HydrophobicContact CG-CD2 4.34Å; K6-D80 PolarHBondContact N-OD2 3.03Å; K6-D80 PolarHBondContact O-N 3.16Å; K6-G81 PolarHBondContact O-N 2.97Å
7V97.5Very high88.2Confident0 Ų046.8 Ų46.80%027%0.268CS..EExtended strand (participates in β ladder)trans-115.7126179.8174.30000108.7L57 H58 L59 Y60 G81 V83 L164 L168V7-L57 HydrophobicContact CG2-CD2 4.34Å; V7-H58 PolarHBondContact N-O 3.42Å; V7-L59 HydrophobicContact CB-CD2 3.81Å; V7-L59 HydrophobicContact CG1-CD2 4.04Å; V7-L59 HydrophobicContact CG2-CD2 4.32Å; V7-L59 WeakPolarHBondContact O-CA 3.3Å; V7-Y60 PolarHBondContact O-N 2.97Å; V7-G81 WeakPolarHBondContact CA-O 3.41Å; V7-V83 HydrophobicContact CG1-CG2 3.79Å; V7-L164 HydrophobicContact CB-CD2 4.36Å; V7-L164 HydrophobicContact CG1-CD2 3.58Å; V7-L164 HydrophobicContact CG2-CD2 3.83Å; V7-L164 HydrophobicContact CG2-CG 4.46Å; V7-L168 HydrophobicContact CG2-CD1 3.61Å
8V98Very high88.5Confident0 Ų045.7 Ų45.70%026%0.262CS..EExtended strand (participates in β ladder)trans-96.2127.9174.9174.30000109.5C10 T62 L71 Y75 F78 A79 G81 F82 V83V8-C10 HydrophobicContact CG1-CB 4.31Å; V8-T62 HydrophobicContact CG1-CG2 3.77Å; V8-L71 HydrophobicContact CG1-CD2 4.47Å; V8-Y75 HydrophobicContact CB-CD1 4.43Å; V8-Y75 HydrophobicContact CG1-CD1 3.86Å; V8-Y75 HydrophobicContact CG1-CE1 4.48Å; V8-Y75 HydrophobicContact CG1-CG 4.14Å; V8-Y75 HydrophobicContact CG2-CD1 3.63Å; V8-Y75 HydrophobicContact CG2-CE1 4.46Å; V8-Y75 HydrophobicContact CG2-CG 4.34Å; V8-F78 HydrophobicContact CG2-CE2 3.98Å; V8-F78 HydrophobicContact CG2-CZ 3.85Å; V8-A79 HydrophobicContact CB-CB 4.35Å; V8-A79 HydrophobicContact CG2-CB 3.66Å; V8-G81 PolarHBondContact N-O 3.19Å; V8-F82 HydrophobicContact CB-CD1 3.79Å; V8-F82 HydrophobicContact CB-CE1 3.85Å; V8-F82 HydrophobicContact CG1-CD1 4.2Å; V8-F82 HydrophobicContact CG1-CE1 4.22Å; V8-F82 HydrophobicContact CG2-CE1 4.36Å; V8-F82 CarbonylContact O-C 3.6Å; V8-F82 WeakPolarHBondContact O-CA 3.29Å; V8-V83 PolarHBondContact O-N 2.79Å
9V98.3Very high88.8Confident1 Ų143.9 Ų43.91%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-104.9110.4178.9-173.20000107.6K17 L21 Y60 T62 V83 V85V9-K17 HydrophobicContact CG1-CB 4.08Å; V9-K17 HydrophobicContact CG1-CD 4.41Å; V9-K17 HydrophobicContact CG1-CG 4.19Å; V9-L21 HydrophobicContact CB-CD1 4.36Å; V9-L21 HydrophobicContact CG1-CD1 4.42Å; V9-L21 HydrophobicContact CG2-CD1 4.1Å; V9-L21 HydrophobicContact CG2-CD2 3.96Å; V9-Y60 PolarHBondContact N-O 3.42Å; V9-T62 WeakPolarHBondContact O-CG2 3Å; V9-T62 PolarHBondContact O-N 2.81Å; V9-T62 PolarHBondContact O-OG1 3.01Å; V9-T62 VanDerWaalsContact O-OG1 3.12Å; V9-V83 WeakPolarHBondContact CA-O 3.39Å; V9-V83 HydrophobicContact CG1-CB 4.29Å; V9-V83 HydrophobicContact CG1-CG1 4.36Å; V9-V83 HydrophobicContact CG2-CB 4.23Å; V9-V85 HydrophobicContact CG1-CG2 4.08Å
10C97.5Very high89.1Confident0 Ų041.8 Ų41.80%024%0.242CC..EExtended strand (participates in β ladder)trans-137.7157.1-172.560.80000112.9V8 L71 V83 L84 V85V8-C10 HydrophobicContact CG1-CB 4.31Å; C10-L71 HydrophobicContact CB-CD1 3.99Å; C10-L71 HydrophobicContact CB-CD2 4.33Å; C10-V83 PolarHBondContact N-O 2.77Å; C10-L84 CarbonylContact O-C 3.58Å; C10-L84 WeakPolarHBondContact O-CA 3.22Å; C10-L84 WeakPolarHBondContact SG-CD2 3.5Å; C10-V85 PolarHBondContact O-N 2.7Å
11G97.8Very high89.4Confident0 Ų039.8 Ų39.80%023%0.23CC..EExtended strand (participates in β ladder)trans162.9172.2-171.400000110.4L65 V85G11-L65 PolarHBondContact O-N 2.86Å; G11-V85 WeakPolarHBondContact CA-O 3.46Å
12L97Very high92.1Very high10 Ų1030.8 Ų30.85%0.05219%0.185CC..BIsolated β-bridgetrans-60.4166.1178.5-155.373.7000111.4V15 K17 L65 E92 R96L12-V15 HydrophobicContact CB-CG1 3.94Å; L12-V15 VanDerWaalsContact O-CG2 3.31Å; L12-V15 WeakPolarHBondContact O-CG2 3.46Å; L12-K17 PolarHBondContact O-NZ 3.1Å; L12-K17 VanDerWaalsContact O-NZ 3.16Å; L12-L65 CarbonylContact C-O 3.6Å; L12-L65 WeakPolarHBondContact CA-O 3.45Å; L12-L65 WeakPolarHBondContact CD1-O 3.39Å; L12-L65 WeakPolarHBondContact CG-O 3.4Å; L12-E92 WeakPolarHBondContact CD1-OE1 3.39Å; L12-E92 WeakPolarHBondContact CD2-OE1 3.29Å; L12-R96 HydrophobicContact CD1-CB 4.43Å; L12-R96 HydrophobicContact CD1-CG 4.27Å
13L94.9Very high94Very high42 Ų4227.7 Ų27.722%0.2215%0.15CC..THydrogen-bonded Turntrans-54.7146168.5-72.8147.7000111.3V15 G64 L65 Q66L13-V15 PolarHBondContact O-N 2.99Å; L13-G64 WeakPolarHBondContact CD2-O 3.46Å; L13-G64 WeakPolarHBondContact CG-O 3.42Å; L13-L65 WeakPolarHBondContact CD1-O 3.13Å; L13-L65 WeakPolarHBondContact CG-O 3.48Å; L13-L65 PolarHBondContact N-O 3.04Å; L13-Q66 HydrophobicContact CD1-CB 4.2Å; L13-Q66 HydrophobicContact CD1-CG 3.37Å
14S93.8Very high95.1Very high83 Ų8318.7 Ų18.758%0.5811%0.111SC*.THydrogen-bonded Turntrans61.811.3172.2-47.50000116.9G16 K121S14-G16 PolarHBondContact O-N 2.92Å; S14-K121 VanDerWaalsContact O-CE 3.23Å; S14-K121 WeakPolarHBondContact O-CE 3.37Å; S14-K121 PolarHBondContact O-NZ 2.96Å
15V96.2Very high95.4Very high0 Ų020 Ų200%012%0.115CC..SBendtrans-72.2-14.4174-57.90000113.5L12 L13 K17 V85 N120L12-V15 HydrophobicContact CB-CG1 3.94Å; L12-V15 VanDerWaalsContact O-CG2 3.31Å; L12-V15 WeakPolarHBondContact O-CG2 3.46Å; L13-V15 PolarHBondContact O-N 2.99Å; V15-K17 HydrophobicContact CG2-CD 4.43Å; V15-K17 HydrophobicContact CG2-CG 3.76Å; V15-V85 HydrophobicContact CB-CG1 4.14Å; V15-V85 HydrophobicContact CG2-CB 3.86Å; V15-V85 HydrophobicContact CG2-CG1 3.69Å; V15-N120 PolarHBondContact O-ND2 2.7Å
16G94.6Very high95.2Very high16 Ų1626 Ų2617%0.16514%0.136CC..  trans97.330.4176.500000115.9S14 A19 I20S14-G16 PolarHBondContact O-N 2.92Å; G16-A19 PolarHBondContact O-N 2.79Å; G16-I20 WeakPolarHBondContact O-CB 3.42Å; G16-I20 VanDerWaalsContact O-CG1 3.22Å; G16-I20 WeakPolarHBondContact O-CG1 3.47Å; G16-I20 PolarHBondContact O-N 3.1Å
17K96.1Very high94.8Very high9 Ų924.4 Ų24.44%0.03914%0.14CC..Hα-helixtrans-55.6-58.5178.8-62.9-178.5-59.5-60.10112.4V9 L12 V15 A19 I20 L21 T62 V85V9-K17 HydrophobicContact CG1-CB 4.08Å; V9-K17 HydrophobicContact CG1-CD 4.41Å; V9-K17 HydrophobicContact CG1-CG 4.19Å; L12-K17 PolarHBondContact O-NZ 3.1Å; L12-K17 VanDerWaalsContact O-NZ 3.16Å; V15-K17 HydrophobicContact CG2-CD 4.43Å; V15-K17 HydrophobicContact CG2-CG 3.76Å; K17-A19 PolarHBondContact O-N 3.44Å; K17-I20 WeakPolarHBondContact O-CB 3.45Å; K17-I20 PolarHBondContact O-N 2.9Å; K17-L21 WeakPolarHBondContact O-CG 3.24Å; K17-L21 PolarHBondContact O-N 2.93Å; K17-L21 VanDerWaalsContact O-N 3.14Å; K17-T62 WeakPolarHBondContact CE-O 3.22Å; K17-V85 HydrophobicContact CG-CB 4.12Å; K17-V85 HydrophobicContact CG-CG2 4.14Å
18T94.3Very high93.7Very high26 Ų2628.9 Ų28.916%0.1617%0.165CC..Hα-helixtrans-59.2-46.4179.1-50.10000111.7I20 L21 E22 T38 D61T18-I20 VanDerWaalsContact C-N 3.32Å; T18-I20 PolarHBondContact O-N 3.04Å; T18-L21 PolarHBondContact O-N 2.85Å; T18-E22 HydrophobicContact CG2-CG 4.17Å; T18-E22 WeakPolarHBondContact O-CG 3.42Å; T18-E22 PolarHBondContact O-N 2.6Å; T18-T38 PolarHBondContact OG1-OG1 2.9Å; T18-D61 WeakPolarHBondContact CA-OD2 3.31Å; T18-D61 VanDerWaalsContact CB-OD2 3.28Å; T18-D61 WeakPolarHBondContact CB-OD2 3.46Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.41Å; T18-D61 PolarHBondContact OG1-OD2 2.67Å
19A93.8Very high92.3Very high13 Ų1331 Ų3111%0.10717%0.174CC..Hα-helixtrans-57.2-41.8177.400000112.9G16 K17 Q23 H29 V151G16-A19 PolarHBondContact O-N 2.79Å; K17-A19 PolarHBondContact O-N 3.44Å; A19-Q23 WeakPolarHBondContact O-CB 3.47Å; A19-Q23 PolarHBondContact O-N 3.06Å; A19-H29 VanDerWaalsContact CB-CE1 3.5Å; A19-H29 WeakPolarHBondContact CB-CE1 3.41Å; A19-V151 HydrophobicContact CB-CG1 4.15Å; A19-V151 HydrophobicContact CB-CG2 4.01Å; A19-V151 WeakPolarHBondContact O-CG1 3.23Å
20I95.6Very high90.8Very high1 Ų135.2 Ų35.21%0.00520%0.2CC..Hα-helixtrans-60.6-45.9173.8-72.7166.8000110.8G16 K17 T18 L24 V85 L118 N120 V149 V151 L157 F161G16-I20 WeakPolarHBondContact O-CB 3.42Å; G16-I20 VanDerWaalsContact O-CG1 3.22Å; G16-I20 WeakPolarHBondContact O-CG1 3.47Å; G16-I20 PolarHBondContact O-N 3.1Å; K17-I20 WeakPolarHBondContact O-CB 3.45Å; K17-I20 PolarHBondContact O-N 2.9Å; T18-I20 VanDerWaalsContact C-N 3.32Å; T18-I20 PolarHBondContact O-N 3.04Å; I20-L24 WeakPolarHBondContact O-CB 3.32Å; I20-L24 PolarHBondContact O-N 3.06Å; I20-V85 HydrophobicContact CD1-CG1 3.77Å; I20-V85 HydrophobicContact CD1-CG2 4.44Å; I20-L118 HydrophobicContact CD1-CD1 4.09Å; I20-L118 HydrophobicContact CG2-CD1 4.13Å; I20-N120 HydrophobicContact CD1-CB 4.11Å; I20-V149 HydrophobicContact CD1-CG2 4.46Å; I20-V151 HydrophobicContact CG1-CG2 3.9Å; I20-L157 HydrophobicContact CG1-CD2 4.32Å; I20-L157 HydrophobicContact CG2-CD1 4.35Å; I20-L157 HydrophobicContact CG2-CD2 4.08Å; I20-F161 HydrophobicContact CG2-CE2 4.07Å; I20-F161 HydrophobicContact CG2-CZ 4.2Å
21L95.1Very high89.3Confident0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-68.4-48.9-176.8-62.2174.4000112V9 K17 T18 Q23 L24 L25 Y43 L59 D61 F161V9-L21 HydrophobicContact CB-CD1 4.36Å; V9-L21 HydrophobicContact CG1-CD1 4.42Å; V9-L21 HydrophobicContact CG2-CD1 4.1Å; V9-L21 HydrophobicContact CG2-CD2 3.96Å; K17-L21 WeakPolarHBondContact O-CG 3.24Å; K17-L21 PolarHBondContact O-N 2.93Å; K17-L21 VanDerWaalsContact O-N 3.14Å; T18-L21 PolarHBondContact O-N 2.85Å; L21-Q23 VanDerWaalsContact C-N 3.3Å; L21-Q23 PolarHBondContact O-N 2.63Å; L21-L24 PolarHBondContact O-N 3.23Å; L21-L25 WeakPolarHBondContact O-CB 3.23Å; L21-L25 WeakPolarHBondContact O-CD1 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.24Å; L21-L25 PolarHBondContact O-N 2.66Å; L21-Y43 HydrophobicContact CB-CD2 4.33Å; L21-Y43 HydrophobicContact CB-CE2 4.41Å; L21-Y43 HydrophobicContact CD1-CD2 3.91Å; L21-Y43 HydrophobicContact CD1-CE2 4.07Å; L21-L59 HydrophobicContact CD2-CB 4.18Å; L21-L59 HydrophobicContact CD2-CD1 3.68Å; L21-L59 HydrophobicContact CD2-CG 4.46Å; L21-D61 HydrophobicContact CD1-CB 3.55Å; L21-F161 HydrophobicContact CD2-CE1 4.08Å; L21-F161 HydrophobicContact CD2-CZ 3.98Å
22E92.6Very high87.8Confident54 Ų5445.3 Ų45.325%0.25227%0.271SS..Hα-helixtrans-59.6-43.7177.3-69.9-177.6153.100111.2T18 L25 Y26 G27 Y43T18-E22 HydrophobicContact CG2-CG 4.17Å; T18-E22 WeakPolarHBondContact O-CG 3.42Å; T18-E22 PolarHBondContact O-N 2.6Å; E22-L25 PolarHBondContact O-N 2.85Å; E22-Y26 HydrophobicContact CB-CD2 4.33Å; E22-Y26 WeakPolarHBondContact O-CA 3.28Å; E22-Y26 WeakPolarHBondContact O-CB 3.4Å; E22-Y26 PolarHBondContact O-N 3.2Å; E22-G27 PolarHBondContact O-N 2.9Å; E22-Y43 HydrophobicContact CG-CE1 4.3Å
23Q93.9Very high86.4Confident15 Ų1549.7 Ų49.77%0.0729%0.292CS..Hα-helixtrans-66.1-42.9177.5-177.871.4-28.300112.7A19 L21 L25 G27 H29 V151 R154 L157A19-Q23 WeakPolarHBondContact O-CB 3.47Å; A19-Q23 PolarHBondContact O-N 3.06Å; L21-Q23 VanDerWaalsContact C-N 3.3Å; L21-Q23 PolarHBondContact O-N 2.63Å; Q23-L25 VanDerWaalsContact C-N 3.28Å; Q23-L25 PolarHBondContact O-N 2.83Å; Q23-G27 VanDerWaalsContact O-CA 3.28Å; Q23-G27 WeakPolarHBondContact O-CA 3.27Å; Q23-G27 PolarHBondContact O-N 2.83Å; Q23-G27 VanDerWaalsContact O-N 3.08Å; Q23-G27 VanDerWaalsContact OE1-C 3.29Å; Q23-H29 HydrophobicContact CB-CB 3.8Å; Q23-H29 HydrophobicContact CG-CB 4.36Å; Q23-H29 VanDerWaalsContact OE1-CB 3.31Å; Q23-V151 HydrophobicContact CB-CG1 3.58Å; Q23-V151 HydrophobicContact CG-CG1 3.9Å; Q23-V151 WeakPolarHBondContact CG-O 3.5Å; Q23-V151 PolarHBondContact NE2-O 2.82Å; Q23-R154 HydrophobicContact CG-CB 4.14Å; Q23-R154 HydrophobicContact CG-CG 4.33Å; Q23-R154 WeakPolarHBondContact O-CD 3.46Å; Q23-R154 PolarHBondContact O-NE 3.48Å; Q23-R154 VanDerWaalsContact O-NE 3.16Å; Q23-L157 HydrophobicContact CB-CD1 4.01Å; Q23-L157 HydrophobicContact CG-CD1 3.87Å
24L93.9Very high84.9Confident17 Ų1756.8 Ų56.89%0.08932%0.324CS..Hα-helixtrans-58.9-44.7177.8178.668.2000110.6I20 L21 R154 L157 I158 F161I20-L24 WeakPolarHBondContact O-CB 3.32Å; I20-L24 PolarHBondContact O-N 3.06Å; L21-L24 PolarHBondContact O-N 3.23Å; L24-R154 PolarHBondContact O-NE 3.22Å; L24-R154 PolarHBondContact O-NH2 3.06Å; L24-L157 HydrophobicContact CD1-CB 3.97Å; L24-I158 HydrophobicContact CD1-CG1 4.48Å; L24-F161 HydrophobicContact CD2-CB 4.12Å; L24-F161 HydrophobicContact CD2-CD1 3.53Å; L24-F161 HydrophobicContact CD2-CD2 3.62Å; L24-F161 HydrophobicContact CD2-CE1 3.71Å; L24-F161 HydrophobicContact CD2-CE2 3.77Å; L24-F161 HydrophobicContact CD2-CG 3.47Å; L24-F161 VanDerWaalsContact CD2-CG 3.47Å; L24-F161 HydrophobicContact CD2-CZ 3.81Å
25L93Very high83.6Confident43 Ų4359 Ų5923%0.22533%0.33CS..Hα-helixtrans-85.6-45.6-170.5-64.2171.6000113.7L21 E22 Q23 Y43 A45L21-L25 WeakPolarHBondContact O-CB 3.23Å; L21-L25 WeakPolarHBondContact O-CD1 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.24Å; L21-L25 PolarHBondContact O-N 2.66Å; E22-L25 PolarHBondContact O-N 2.85Å; Q23-L25 VanDerWaalsContact C-N 3.28Å; Q23-L25 PolarHBondContact O-N 2.83Å; L25-Y43 HydrophobicContact CD1-CD1 3.59Å; L25-Y43 HydrophobicContact CD1-CG 3.74Å; L25-A45 HydrophobicContact CD2-CB 3.51Å
26Y90.5Very high82.7Confident141 Ų14164.2 Ų64.255%0.55337%0.365SS*.Hα-helixtrans-110.3-19.6-169.9-51-52.5000112.6E22 N28 Y43E22-Y26 HydrophobicContact CB-CD2 4.33Å; E22-Y26 WeakPolarHBondContact O-CA 3.28Å; E22-Y26 WeakPolarHBondContact O-CB 3.4Å; E22-Y26 PolarHBondContact O-N 3.2Å; Y26-N28 VanDerWaalsContact CB-OD1 3.27Å; Y26-N28 WeakPolarHBondContact CB-OD1 3.45Å; Y26-N28 PolarHBondContact O-N 3.02Å; Y26-Y43 HydrophobicContact CE2-CD1 4.11Å; Y26-Y43 AromaticContact CE2-CE1 3.99Å; Y26-Y43 HydrophobicContact CE2-CE1 3.99Å
27G86.8Confident82.2Confident41 Ų4169.4 Ų69.442%0.42339%0.385SS..SBendtrans62.221.8179.400000113.9E22 Q23E22-G27 PolarHBondContact O-N 2.9Å; Q23-G27 VanDerWaalsContact O-CA 3.28Å; Q23-G27 WeakPolarHBondContact O-CA 3.27Å; Q23-G27 PolarHBondContact O-N 2.83Å; Q23-G27 VanDerWaalsContact O-N 3.08Å; Q23-G27 VanDerWaalsContact OE1-C 3.29Å
28N73.3Confident81.7Confident95 Ų9570.3 Ų70.351%0.50839%0.391SS..  trans-113.89.4-173.766.9-11.9000112.9Y26 T30Y26-N28 VanDerWaalsContact CB-OD1 3.27Å; Y26-N28 WeakPolarHBondContact CB-OD1 3.45Å; Y26-N28 PolarHBondContact O-N 3.02Å; N28-T30 PolarHBondContact O-N 2.89Å; N28-T30 VanDerWaalsContact O-N 3.16Å; N28-T30 PolarHBondContact O-OG1 3.34Å
29H70.1Confident81.4Confident44 Ų4476.7 Ų76.720%0.20442%0.421CS..  trans-67119.9178.1-17478.7000109.2A19 Q23 V151A19-H29 VanDerWaalsContact CB-CE1 3.5Å; A19-H29 WeakPolarHBondContact CB-CE1 3.41Å; Q23-H29 HydrophobicContact CB-CB 3.8Å; Q23-H29 HydrophobicContact CG-CB 4.36Å; Q23-H29 VanDerWaalsContact OE1-CB 3.31Å; H29-V151 HydrophobicContact CB-CG1 4Å; H29-V151 WeakPolarHBondContact CD2-CG1 3.39Å
30T66.1Low81.2Confident89 Ų8981.9 Ų81.955%0.54644%0.443SS..  trans-104.3131.9-178.1-53.70000109N28 G32 M33N28-T30 PolarHBondContact O-N 2.89Å; N28-T30 VanDerWaalsContact O-N 3.16Å; N28-T30 PolarHBondContact O-OG1 3.34Å; T30-G32 PolarHBondContact O-N 2.89Å; T30-M33 WeakPolarHBondContact O-CG 3.5Å; T30-M33 PolarHBondContact O-N 2.77Å
31I66.3Low81.1Confident136 Ų13685.9 Ų85.970%0.69747%0.465SS*.THydrogen-bonded Turntrans-57.1126.1175-58.1171.3000108.7T152I31-T152 HydrophobicContact CD1-CG2 3.47Å; I31-T152 VanDerWaalsContact CD1-CG2 3.47Å; I31-T152 HydrophobicContact CG1-CG2 3.55Å
32G65.5Low81.1Confident77 Ų7789.4 Ų89.479%0.79449%0.486SS*.THydrogen-bonded Turntrans92.87.8178.700000115.3T30T30-G32 PolarHBondContact O-N 2.89Å
33M68.3Low81.2Confident102 Ų10287.7 Ų87.750%0.50248%0.477SS..  trans-58.4139.9162.6-73.8-175.973.800109.8T30 D35T30-M33 WeakPolarHBondContact O-CG 3.5Å; T30-M33 PolarHBondContact O-N 2.77Å; M33-D35 PolarHBondContact O-N 3.23Å
34E63.4Low81.3Confident190 Ų19093.3 Ų93.389%0.88851%0.505SS*.  trans-61.8125.6178.7-67.7-177168.300110C36E34-C36 PolarHBondContact O-N 2.91Å
35D66.2Low81.3Confident131 Ų13192.7 Ų92.770%0.70150%0.502SS*.  trans-68.393.5173.3-77.5-27000108.7M33M33-D35 PolarHBondContact O-N 3.23Å
36C77.2Confident81.3Confident108 Ų10894 Ų9473%0.7352%0.515SS*.PPolyproline II helixtrans-82.3139.6168.464.50000110.1E34 T38E34-C36 PolarHBondContact O-N 2.91Å; C36-T38 PolarHBondContact O-N 3.4Å
37E85.1Confident81.4Confident125 Ų12588.2 Ų88.258%0.58449%0.494SS*.PPolyproline II helixtrans-66.6117.8175.1-74.1-168.5-168.800110.3M39 R63E37-M39 PolarHBondContact O-N 2.94Å; E37-R63 IonicContact OE2-CZ 3.58Å; E37-R63 IonicContact OE2-NE 3.58Å; E37-R63 IonicContact OE2-NH2 2.72Å; E37-R63 PolarHBondContact OE2-NH2 2.79Å
38T85.8Confident81.7Confident28 Ų2891.5 Ų91.517%0.17250%0.499CS..PPolyproline II helixtrans-61.3129.3171.3-36.30000110.2T18 C36 D61 R63T18-T38 PolarHBondContact OG1-OG1 2.9Å; C36-T38 PolarHBondContact O-N 3.4Å; T38-D61 WeakPolarHBondContact CG2-OD2 3.33Å; T38-R63 WeakPolarHBondContact O-CA 3.19Å; T38-R63 WeakPolarHBondContact O-CB 3.38Å; T38-R63 VanDerWaalsContact O-CG 3.24Å; T38-R63 WeakPolarHBondContact O-CG 3.45Å
39M87.1Confident82.5Confident161 Ų16187.3 Ų87.379%0.79348%0.476SS*.  trans-78.9-85165.1-70.8-172.46600109.2E37 R63E37-M39 PolarHBondContact O-N 2.94Å; M39-R63 WeakPolarHBondContact O-CA 3.5Å; M39-R63 VanDerWaalsContact O-CB 3.25Å; M39-R63 WeakPolarHBondContact O-CB 3.35Å; M39-R63 PolarHBondContact O-N 3.24Å
40E89.4Confident83.3Confident122 Ų12291 Ų9157%0.5750%0.498SS*.EExtended strand (participates in β ladder)trans-153.5138.6168.5-64.2-174.7157.800107D61 Y75E40-D61 WeakPolarHBondContact CA-O 3.2Å; E40-Y75 PolarHBondContact OE1-OH 2.86Å
41D93.8Very high84.3Confident85 Ų8594.8 Ų94.846%0.45550%0.502SS..EExtended strand (participates in β ladder)trans-141.8162.2175-153.1-13.6000110.9Y43 D61D41-Y43 HydrophobicContact CB-CE2 3.97Å; D41-D61 HydrophobicContact CB-CB 4.45Å; D41-D61 PolarHBondContact N-O 2.94Å; D41-D61 PolarHBondContact O-N 2.75Å
42V95.7Very high85.3Confident73 Ų7390.4 Ų90.444%0.44249%0.491SS..EExtended strand (participates in β ladder)trans-129.6111.8176.7-176.10000110H58 L59 Y60V42-H58 HydrophobicContact CG1-CB 4.26Å; V42-L59 WeakPolarHBondContact CA-O 3.15Å; V42-Y60 HydrophobicContact CG2-CD1 3.6Å; V42-Y60 HydrophobicContact CG2-CE1 3.74Å; V42-Y60 HydrophobicContact CG2-CG 4.19Å
43Y95Very high86.4Confident18 Ų1889.2 Ų89.27%0.07147%0.468CS..EExtended strand (participates in β ladder)trans-94.4151.1174.7-58.3-97.9000111.1L21 E22 L25 Y26 D41 H58 L59 D61L21-Y43 HydrophobicContact CB-CD2 4.33Å; L21-Y43 HydrophobicContact CB-CE2 4.41Å; L21-Y43 HydrophobicContact CD1-CD2 3.91Å; L21-Y43 HydrophobicContact CD1-CE2 4.07Å; E22-Y43 HydrophobicContact CG-CE1 4.3Å; L25-Y43 HydrophobicContact CD1-CD1 3.59Å; L25-Y43 HydrophobicContact CD1-CG 3.74Å; Y26-Y43 HydrophobicContact CE2-CD1 4.11Å; Y26-Y43 AromaticContact CE2-CE1 3.99Å; Y26-Y43 HydrophobicContact CE2-CE1 3.99Å; D41-Y43 HydrophobicContact CB-CE2 3.97Å; Y43-H58 CarbonylContact O-C 3.54Å; Y43-H58 WeakPolarHBondContact O-CA 3.48Å; Y43-L59 PolarHBondContact N-O 3.4Å; Y43-L59 PolarHBondContact O-N 2.82Å; Y43-D61 HydrophobicContact CD2-CB 4.1Å; Y43-D61 HydrophobicContact CE2-CB 3.73Å
44M94.9Very high87.5Confident133 Ų13391.2 Ų91.266%0.65547%0.474SS*.EExtended strand (participates in β ladder)trans-115.7121.6177.4-155.3177.866.500110.2L57M44-L57 WeakPolarHBondContact CA-O 3.49Å
45A93.7Very high88.8Confident4 Ų484 Ų843%0.03344%0.44CS..EExtended strand (participates in β ladder)trans-118130.1-17800000110.7L25 V47 Q56 L57 L59L25-A45 HydrophobicContact CD2-CB 3.51Å; A45-V47 HydrophobicContact CB-CG2 4.12Å; A45-Q56 WeakPolarHBondContact O-CA 3.19Å; A45-L57 HydrophobicContact CB-CB 4.27Å; A45-L57 PolarHBondContact N-O 3.45Å; A45-L57 PolarHBondContact O-N 3.24Å; A45-L59 HydrophobicContact CB-CD1 3.94Å; A45-L59 HydrophobicContact CB-CG 4.43Å
46S93.1Very high90.2Very high72 Ų7281.1 Ų81.150%0.50342%0.422SS..EExtended strand (participates in β ladder)trans-96110.5165.8-168.30000108.8E55 Q56S46-E55 WeakPolarHBondContact CA-O 3.34Å; S46-Q56 PolarHBondContact OG-NE2 3.49Å
47V93.3Very high91.1Very high18 Ų1876 Ų7611%0.10939%0.388CS..EExtended strand (participates in β ladder)trans-111.4124.8-176.5-175.50000109A45 E55 L57 A165A45-V47 HydrophobicContact CB-CG2 4.12Å; V47-E55 PolarHBondContact N-O 3Å; V47-E55 PolarHBondContact O-N 2.9Å; V47-L57 HydrophobicContact CG2-CD1 3.78Å; V47-L57 HydrophobicContact CG2-CG 4.15Å; V47-A165 HydrophobicContact CB-CB 3.88Å; V47-A165 HydrophobicContact CG1-CB 3.68Å
48E91.8Very high91.6Very high111 Ų11172.7 Ų72.752%0.51937%0.372SS..EExtended strand (participates in β ladder)trans-84.8118.2171.1-169.5167.415400109K54E48-K54 HydrophobicContact CB-CG 4.44Å; E48-K54 HydrophobicContact CG-CG 4.42Å
49T90.5Very high92.2Very high6 Ų671.3 Ų71.34%0.03736%0.364CS..  trans-69.2164.1176.8600000111R51 G52 V53 E55 A165T49-R51 PolarHBondContact O-N 3.48Å; T49-G52 PolarHBondContact O-N 3.4Å; T49-V53 WeakPolarHBondContact CG2-O 3.21Å; T49-V53 PolarHBondContact N-O 3.38Å; T49-V53 WeakPolarHBondContact OG1-CB 3.5Å; T49-V53 PolarHBondContact OG1-N 3.27Å; T49-V53 VanDerWaalsContact OG1-N 3.1Å; T49-V53 PolarHBondContact OG1-O 3.49Å; T49-E55 HydrophobicContact CG2-CG 3.89Å; T49-A165 HydrophobicContact CG2-CB 4.02Å
50D87.1Confident92.7Very high122 Ų12266 Ų6665%0.65234%0.335SS*.THydrogen-bonded Turntrans-54.3-21.7170.860.9-37.2000113.8S166D50-S166 VanDerWaalsContact OD1-CB 3.31Å; D50-S166 WeakPolarHBondContact OD1-CB 3.26Å; D50-S166 PolarHBondContact OD1-OG 2.93Å
51R87.1Confident93Very high168 Ų16860.2 Ų60.263%0.63431%0.308SS*.THydrogen-bonded Turntrans-89.93.5176.6-55.1-179.8-164.91706.8113.9T49 V53T49-R51 PolarHBondContact O-N 3.48Å; R51-V53 VanDerWaalsContact C-N 3.27Å; R51-V53 HydrophobicContact CB-CG2 4.44Å; R51-V53 PolarHBondContact O-N 3.42Å
52G87.1Confident93.1Very high45 Ų4556.3 Ų56.346%0.46429%0.287SS..SBendtrans7511.3-176.400000114.5T49T49-G52 PolarHBondContact O-N 3.4Å
53V89Confident93Very high52 Ų5258.3 Ų58.332%0.31529%0.287SS..  trans-86.3127.4175.2-177.80000108.9T49 R51 E55T49-V53 WeakPolarHBondContact CG2-O 3.21Å; T49-V53 PolarHBondContact N-O 3.38Å; T49-V53 WeakPolarHBondContact OG1-CB 3.5Å; T49-V53 PolarHBondContact OG1-N 3.27Å; T49-V53 VanDerWaalsContact OG1-N 3.1Å; T49-V53 PolarHBondContact OG1-O 3.49Å; R51-V53 VanDerWaalsContact C-N 3.27Å; R51-V53 HydrophobicContact CB-CG2 4.44Å; R51-V53 PolarHBondContact O-N 3.42Å; V53-E55 HydrophobicContact CG1-CG 4.48Å; V53-E55 WeakPolarHBondContact CG1-OE1 3.41Å
54K90.9Very high92.9Very high144 Ų14457.8 Ų57.863%0.62629%0.288SS*.EExtended strand (participates in β ladder)trans-84.6112.6173.5-66.7-172.9178.8-174.30110.3E48E48-K54 HydrophobicContact CB-CG 4.44Å; E48-K54 HydrophobicContact CG-CG 4.42Å
55E92Very high92.9Very high37 Ų3752 Ų5217%0.17326%0.259CS..EExtended strand (participates in β ladder)trans-100.3147.4174.6-66.4-62.4165.300110.7S46 V47 T49 V53 A165 S169S46-E55 WeakPolarHBondContact CA-O 3.34Å; V47-E55 PolarHBondContact N-O 3Å; V47-E55 PolarHBondContact O-N 2.9Å; T49-E55 HydrophobicContact CG2-CG 3.89Å; V53-E55 HydrophobicContact CG1-CG 4.48Å; V53-E55 WeakPolarHBondContact CG1-OE1 3.41Å; E55-A165 HydrophobicContact CB-CB 4.29Å; E55-S169 WeakPolarHBondContact OE1-CB 3.44Å; E55-S169 PolarHBondContact OE1-OG 3Å
56Q94.2Very high92.8Very high71 Ų7156.8 Ų56.833%0.33228%0.281SS..EExtended strand (participates in β ladder)trans-102.2119.9172.7-65-63.6-34.200108.7G4 C5 A45 S46G4-Q56 CarbonylContact C-O 3.48Å; G4-Q56 VanDerWaalsContact CA-O 3.24Å; G4-Q56 WeakPolarHBondContact CA-O 3.46Å; C5-Q56 PolarHBondContact N-O 3.16Å; A45-Q56 WeakPolarHBondContact O-CA 3.19Å; S46-Q56 PolarHBondContact OG-NE2 3.49Å
57L96.1Very high92.7Very high0 Ų060 Ų600%029%0.288CS..EExtended strand (participates in β ladder)trans-104.2130.1174.1-53.2-175.5000109.7C5 V7 M44 A45 V47 L59 A165 L168C5-L57 HydrophobicContact CB-CD2 3.93Å; C5-L57 CarbonylContact O-C 3.6Å; C5-L57 WeakPolarHBondContact O-CA 3.12Å; V7-L57 HydrophobicContact CG2-CD2 4.34Å; M44-L57 WeakPolarHBondContact CA-O 3.49Å; A45-L57 HydrophobicContact CB-CB 4.27Å; A45-L57 PolarHBondContact N-O 3.45Å; A45-L57 PolarHBondContact O-N 3.24Å; V47-L57 HydrophobicContact CG2-CD1 3.78Å; V47-L57 HydrophobicContact CG2-CG 4.15Å; L57-L59 HydrophobicContact CB-CD2 3.8Å; L57-L59 HydrophobicContact CB-CG 4.31Å; L57-L59 HydrophobicContact CD1-CD2 4.18Å; L57-A165 HydrophobicContact CD1-CB 4.31Å; L57-A165 HydrophobicContact CD2-CB 4.4Å; L57-L168 HydrophobicContact CD2-CD1 4.16Å
58H96.7Very high92.5Very high56 Ų5663 Ų6326%0.25932%0.323SS..EExtended strand (participates in β ladder)trans-96.6105165.3-65.6-170.3000107.1C5 V7 V42 Y43 Y60C5-H58 PolarHBondContact O-N 3.08Å; V7-H58 PolarHBondContact N-O 3.42Å; V42-H58 HydrophobicContact CG1-CB 4.26Å; Y43-H58 CarbonylContact O-C 3.54Å; Y43-H58 WeakPolarHBondContact O-CA 3.48Å; H58-Y60 HydrophobicContact CB-CE2 3.91Å; H58-Y60 WeakPolarHBondContact O-CD2 3.26Å
59L97.6Very high92.5Very high0 Ų060.9 Ų60.90%032%0.317CS..EExtended strand (participates in β ladder)trans-92104.4-176.3-52.6176.9000108.6V7 L21 V42 Y43 A45 L57 D61 F161V7-L59 HydrophobicContact CB-CD2 3.81Å; V7-L59 HydrophobicContact CG1-CD2 4.04Å; V7-L59 HydrophobicContact CG2-CD2 4.32Å; V7-L59 WeakPolarHBondContact O-CA 3.3Å; L21-L59 HydrophobicContact CD2-CB 4.18Å; L21-L59 HydrophobicContact CD2-CD1 3.68Å; L21-L59 HydrophobicContact CD2-CG 4.46Å; V42-L59 WeakPolarHBondContact CA-O 3.15Å; Y43-L59 PolarHBondContact N-O 3.4Å; Y43-L59 PolarHBondContact O-N 2.82Å; A45-L59 HydrophobicContact CB-CD1 3.94Å; A45-L59 HydrophobicContact CB-CG 4.43Å; L57-L59 HydrophobicContact CB-CD2 3.8Å; L57-L59 HydrophobicContact CB-CG 4.31Å; L57-L59 HydrophobicContact CD1-CD2 4.18Å; L59-D61 PolarHBondContact O-N 3.2Å; L59-F161 HydrophobicContact CD1-CD1 4.43Å; L59-F161 HydrophobicContact CD1-CE1 4.03Å; L59-F161 HydrophobicContact CD2-CD1 4.32Å; L59-F161 HydrophobicContact CD2-CE1 4.06Å
60Y97.6Very high92.7Very high48 Ų4866.5 Ų66.519%0.18834%0.343CS..EExtended strand (participates in β ladder)trans-81.6104176.3-68.7-103.3000108.6K6 V7 V9 V42 H58 F78K6-Y60 HydrophobicContact CB-CD2 4.35Å; K6-Y60 HydrophobicContact CB-CE2 3.72Å; K6-Y60 HydrophobicContact CD-CE2 4.15Å; K6-Y60 HydrophobicContact CG-CE2 3.85Å; V7-Y60 PolarHBondContact O-N 2.97Å; V9-Y60 PolarHBondContact N-O 3.42Å; V42-Y60 HydrophobicContact CG2-CD1 3.6Å; V42-Y60 HydrophobicContact CG2-CE1 3.74Å; V42-Y60 HydrophobicContact CG2-CG 4.19Å; H58-Y60 HydrophobicContact CB-CE2 3.91Å; H58-Y60 WeakPolarHBondContact O-CD2 3.26Å; Y60-F78 HydrophobicContact CD1-CE2 4.01Å; Y60-F78 AromaticContact CD1-CZ 3.65Å; Y60-F78 HydrophobicContact CD1-CZ 3.65Å; Y60-F78 AromaticContact CD2-CE2 3.73Å; Y60-F78 HydrophobicContact CD2-CE2 3.73Å; Y60-F78 HydrophobicContact CD2-CZ 4.14Å; Y60-F78 AromaticContact CE1-CE2 3.84Å; Y60-F78 HydrophobicContact CE1-CE2 3.84Å; Y60-F78 AromaticContact CE1-CZ 3.71Å; Y60-F78 HydrophobicContact CE1-CZ 3.71Å; Y60-F78 HydrophobicContact CE2-CD2 4.45Å; Y60-F78 AromaticContact CE2-CE2 3.56Å; Y60-F78 HydrophobicContact CE2-CE2 3.56Å; Y60-F78 HydrophobicContact CE2-CZ 4.21Å; Y60-F78 AromaticContact CG-CE2 3.97Å; Y60-F78 HydrophobicContact CG-CE2 3.97Å; Y60-F78 AromaticContact CG-CZ 3.88Å; Y60-F78 HydrophobicContact CG-CZ 3.88Å; Y60-F78 AromaticContact CZ-CE2 3.61Å; Y60-F78 AromaticContact CZ-CZ 3.99Å
61D96.1Very high93Very high1 Ų160.8 Ų60.81%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-82.9110.4175.1-169.716.6000109.2T18 L21 T38 E40 D41 Y43 L59T18-D61 WeakPolarHBondContact CA-OD2 3.31Å; T18-D61 VanDerWaalsContact CB-OD2 3.28Å; T18-D61 WeakPolarHBondContact CB-OD2 3.46Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.41Å; T18-D61 PolarHBondContact OG1-OD2 2.67Å; L21-D61 HydrophobicContact CD1-CB 3.55Å; T38-D61 WeakPolarHBondContact CG2-OD2 3.33Å; E40-D61 WeakPolarHBondContact CA-O 3.2Å; D41-D61 HydrophobicContact CB-CB 4.45Å; D41-D61 PolarHBondContact N-O 2.94Å; D41-D61 PolarHBondContact O-N 2.75Å; Y43-D61 HydrophobicContact CD2-CB 4.1Å; Y43-D61 HydrophobicContact CE2-CB 3.73Å; L59-D61 PolarHBondContact O-N 3.2Å
62T95.6Very high93.4Very high3 Ų355.5 Ų55.52%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-89.2153.6-177.475.40000110.8V8 V9 K17 G64 L71 Y75V8-T62 HydrophobicContact CG1-CG2 3.77Å; V9-T62 WeakPolarHBondContact O-CG2 3Å; V9-T62 PolarHBondContact O-N 2.81Å; V9-T62 PolarHBondContact O-OG1 3.01Å; V9-T62 VanDerWaalsContact O-OG1 3.12Å; K17-T62 WeakPolarHBondContact CE-O 3.22Å; T62-G64 PolarHBondContact O-N 2.84Å; T62-L71 HydrophobicContact CG2-CD1 4.48Å; T62-Y75 HydrophobicContact CG2-CD1 4.38Å; T62-Y75 HydrophobicContact CG2-CE1 3.85Å; T62-Y75 HydrophobicContact CG2-CE2 4.08Å
63R94Very high93.7Very high115 Ų11559.4 Ų59.443%0.43430%0.304SS..PPolyproline II helixtrans-47.1141.8159.3-170.4162.7-174.2-164.12.5110E37 T38 M39 L65E37-R63 IonicContact OE2-CZ 3.58Å; E37-R63 IonicContact OE2-NE 3.58Å; E37-R63 IonicContact OE2-NH2 2.72Å; E37-R63 PolarHBondContact OE2-NH2 2.79Å; T38-R63 WeakPolarHBondContact O-CA 3.19Å; T38-R63 WeakPolarHBondContact O-CB 3.38Å; T38-R63 VanDerWaalsContact O-CG 3.24Å; T38-R63 WeakPolarHBondContact O-CG 3.45Å; M39-R63 WeakPolarHBondContact O-CA 3.5Å; M39-R63 VanDerWaalsContact O-CB 3.25Å; M39-R63 WeakPolarHBondContact O-CB 3.35Å; M39-R63 PolarHBondContact O-N 3.24Å; R63-L65 PolarHBondContact O-N 2.84Å
64G92.5Very high93.9Very high8 Ų861.5 Ų61.58%0.08231%0.31CS..PPolyproline II helixtrans-58.7136.7168.900000111.3L13 T62L13-G64 WeakPolarHBondContact CD2-O 3.46Å; L13-G64 WeakPolarHBondContact CG-O 3.42Å; T62-G64 PolarHBondContact O-N 2.84Å
65L94.1Very high94.1Very high11 Ų1155 Ų556%0.05828%0.282CS..BIsolated β-bridgetrans-73.8139.6175.2-60.6170.9000109.5G11 L12 L13 R63 L71 L100G11-L65 PolarHBondContact O-N 2.86Å; L12-L65 CarbonylContact C-O 3.6Å; L12-L65 WeakPolarHBondContact CA-O 3.45Å; L12-L65 WeakPolarHBondContact CD1-O 3.39Å; L12-L65 WeakPolarHBondContact CG-O 3.4Å; L13-L65 WeakPolarHBondContact CD1-O 3.13Å; L13-L65 WeakPolarHBondContact CG-O 3.48Å; L13-L65 PolarHBondContact N-O 3.04Å; R63-L65 PolarHBondContact O-N 2.84Å; L65-L71 HydrophobicContact CD1-CB 4.43Å; L65-L71 HydrophobicContact CD1-CD1 4.46Å; L65-L71 HydrophobicContact CD2-CD1 4.29Å; L65-L100 HydrophobicContact CD1-CD1 4.25Å; L65-L100 HydrophobicContact CD1-CD2 3.94Å
66Q93.2Very high94.2Very high105 Ų10553.5 Ų53.549%0.49128%0.275SS..PPolyproline II helixtrans-81.1161.2165.5-66.5177.82.700109.7L13 G68 V69L13-Q66 HydrophobicContact CD1-CB 4.2Å; L13-Q66 HydrophobicContact CD1-CG 3.37Å; Q66-G68 PolarHBondContact O-N 3.08Å; Q66-V69 HydrophobicContact CB-CB 4.41Å; Q66-V69 HydrophobicContact CB-CG2 3.81Å; Q66-V69 WeakPolarHBondContact O-CB 3.09Å; Q66-V69 PolarHBondContact O-N 3.38Å; Q66-V69 VanDerWaalsContact O-N 3.1Å
67E90.3Very high94.1Very high138 Ų13854.8 Ų54.865%0.64529%0.292SS*.THydrogen-bonded Turntrans-50.3133170.8-90.3-172.9134.400111.6V69 E92E67-V69 PolarHBondContact O-N 3.04Å; E67-V69 VanDerWaalsContact O-N 3.14Å; E67-E92 HydrophobicContact CG-CG 4.21Å; E67-E92 WeakPolarHBondContact CG-OE1 3.49Å; E67-E92 VanDerWaalsContact OE1-CG 3.3Å; E67-E92 WeakPolarHBondContact OE1-CG 3.28Å; E67-E92 VanDerWaalsContact OE1-OE2 3.13Å
68G89Confident93.9Very high82 Ų8257.4 Ų57.485%0.84530%0.303SS*.THydrogen-bonded Turntrans71.8-1.9178.900000115.7Q66Q66-G68 PolarHBondContact O-N 3.08Å
69V92.9Very high93.8Very high67 Ų6754.8 Ų54.841%0.40629%0.292SS..PPolyproline II helixtrans-89.3121.8178.6-178.90000111.1Q66 E67 R96Q66-V69 HydrophobicContact CB-CB 4.41Å; Q66-V69 HydrophobicContact CB-CG2 3.81Å; Q66-V69 WeakPolarHBondContact O-CB 3.09Å; Q66-V69 PolarHBondContact O-N 3.38Å; Q66-V69 VanDerWaalsContact O-N 3.1Å; E67-V69 PolarHBondContact O-N 3.04Å; E67-V69 VanDerWaalsContact O-N 3.14Å; V69-R96 PolarHBondContact O-NE 3.15Å; V69-R96 PolarHBondContact O-NH2 2.97Å
70E92.6Very high93.6Very high124 Ų12458.6 Ų58.658%0.57931%0.312SS*.PPolyproline II helixtrans-70.8149.5174.9-68-172.9176.900112
71L94.6Very high93.6Very high2 Ų256.3 Ų56.31%0.0130%0.303CS..PPolyproline II helixtrans-68132.1171.5-175.772.5000109V8 C10 T62 L65 K73 Y75 F76 F82 L100V8-L71 HydrophobicContact CG1-CD2 4.47Å; C10-L71 HydrophobicContact CB-CD1 3.99Å; C10-L71 HydrophobicContact CB-CD2 4.33Å; T62-L71 HydrophobicContact CG2-CD1 4.48Å; L65-L71 HydrophobicContact CD1-CB 4.43Å; L65-L71 HydrophobicContact CD1-CD1 4.46Å; L65-L71 HydrophobicContact CD2-CD1 4.29Å; L71-K73 PolarHBondContact O-N 3.19Å; L71-Y75 HydrophobicContact CD1-CD2 3.76Å; L71-Y75 HydrophobicContact CD1-CE2 4.29Å; L71-Y75 HydrophobicContact CD1-CG 4.39Å; L71-Y75 HydrophobicContact CD2-CD2 4.48Å; L71-Y75 HydrophobicContact CD2-CG 4.45Å; L71-Y75 HydrophobicContact CG-CD2 3.91Å; L71-Y75 HydrophobicContact CG-CG 4.35Å; L71-F76 HydrophobicContact CB-CE1 4.46Å; L71-F76 HydrophobicContact CB-CE2 4.36Å; L71-F76 HydrophobicContact CB-CZ 3.79Å; L71-F76 HydrophobicContact CD2-CD1 4.37Å; L71-F76 HydrophobicContact CD2-CE1 3.69Å; L71-F76 HydrophobicContact CD2-CZ 3.86Å; L71-F76 HydrophobicContact CG-CZ 4.25Å; L71-F76 WeakPolarHBondContact O-CE2 3.26Å; L71-F82 HydrophobicContact CD2-CE1 4.5Å; L71-L100 HydrophobicContact CB-CD2 3.91Å; L71-L100 HydrophobicContact CD2-CD2 4.4Å
72P94.9Very high93.7Very high57 Ų5756.3 Ų56.337%0.3730%0.303SS..PPolyproline II helixtrans-53.9129.6178.9-30.336.8000112.8H74 Y75P72-H74 WeakPolarHBondContact CB-CE1 3.39Å; P72-H74 WeakPolarHBondContact CB-ND1 3.5Å; P72-H74 PolarHBondContact O-N 3.01Å; P72-Y75 HydrophobicContact CB-CD2 3.88Å; P72-Y75 HydrophobicContact CB-CE2 4.09Å; P72-Y75 HydrophobicContact CG-CD2 4.18Å; P72-Y75 HydrophobicContact CG-CE2 4.05Å; P72-Y75 WeakPolarHBondContact O-CB 3.3Å; P72-Y75 WeakPolarHBondContact O-CD2 3.38Å; P72-Y75 PolarHBondContact O-N 3.13Å
73K93.5Very high93.8Very high127 Ų12756.2 Ų56.255%0.55230%0.302SS*.Hα-helixtrans-57.4-26.4-169-61.2-176.4-179.5-176.80115L71 Y75 F76 S77 F107L71-K73 PolarHBondContact O-N 3.19Å; K73-Y75 PolarHBondContact O-N 3.21Å; K73-F76 HydrophobicContact CB-CD2 4.48Å; K73-F76 WeakPolarHBondContact O-CB 3.2Å; K73-F76 PolarHBondContact O-N 3.05Å; K73-F76 VanDerWaalsContact O-N 3.12Å; K73-S77 PolarHBondContact O-N 3.26Å; K73-F107 HydrophobicContact CB-CE1 4.18Å; K73-F107 HydrophobicContact CB-CZ 4.24Å; K73-F107 HydrophobicContact CD-CE1 3.9Å; K73-F107 HydrophobicContact CD-CZ 3.58Å; K73-F107 HydrophobicContact CG-CE1 4Å; K73-F107 HydrophobicContact CG-CE2 4.45Å; K73-F107 HydrophobicContact CG-CZ 3.6Å
74H93.8Very high94Very high96 Ų9650.7 Ų50.744%0.44428%0.281SS..Hα-helixtrans-63-31-179.769.3-90.9000112.2P72 F76 S77 F78P72-H74 WeakPolarHBondContact CB-CE1 3.39Å; P72-H74 WeakPolarHBondContact CB-ND1 3.5Å; P72-H74 PolarHBondContact O-N 3.01Å; H74-F76 VanDerWaalsContact C-N 3.3Å; H74-F76 PolarHBondContact O-N 2.91Å; H74-S77 PolarHBondContact O-N 3.02Å; H74-S77 VanDerWaalsContact O-N 3.14Å; H74-F78 AromaticContact CD2-CE1 3.94Å; H74-F78 WeakPolarHBondContact O-CD1 3.33Å; H74-F78 PolarHBondContact O-N 3.41Å
75Y95.3Very high94.3Very high8 Ų850.3 Ų50.33%0.03128%0.277CS..Hα-helixtrans-60.1-39.2173.3-72.8-61.9000112V8 E40 T62 L71 P72 K73 S77 F78 A79V8-Y75 HydrophobicContact CB-CD1 4.43Å; V8-Y75 HydrophobicContact CG1-CD1 3.86Å; V8-Y75 HydrophobicContact CG1-CE1 4.48Å; V8-Y75 HydrophobicContact CG1-CG 4.14Å; V8-Y75 HydrophobicContact CG2-CD1 3.63Å; V8-Y75 HydrophobicContact CG2-CE1 4.46Å; V8-Y75 HydrophobicContact CG2-CG 4.34Å; E40-Y75 PolarHBondContact OE1-OH 2.86Å; T62-Y75 HydrophobicContact CG2-CD1 4.38Å; T62-Y75 HydrophobicContact CG2-CE1 3.85Å; T62-Y75 HydrophobicContact CG2-CE2 4.08Å; L71-Y75 HydrophobicContact CD1-CD2 3.76Å; L71-Y75 HydrophobicContact CD1-CE2 4.29Å; L71-Y75 HydrophobicContact CD1-CG 4.39Å; L71-Y75 HydrophobicContact CD2-CD2 4.48Å; L71-Y75 HydrophobicContact CD2-CG 4.45Å; L71-Y75 HydrophobicContact CG-CD2 3.91Å; L71-Y75 HydrophobicContact CG-CG 4.35Å; P72-Y75 HydrophobicContact CB-CD2 3.88Å; P72-Y75 HydrophobicContact CB-CE2 4.09Å; P72-Y75 HydrophobicContact CG-CD2 4.18Å; P72-Y75 HydrophobicContact CG-CE2 4.05Å; P72-Y75 WeakPolarHBondContact O-CB 3.3Å; P72-Y75 WeakPolarHBondContact O-CD2 3.38Å; P72-Y75 PolarHBondContact O-N 3.13Å; K73-Y75 PolarHBondContact O-N 3.21Å; Y75-S77 VanDerWaalsContact C-N 3.32Å; Y75-S77 PolarHBondContact O-N 3.11Å; Y75-F78 AromaticContact CD1-CE1 3.63Å; Y75-F78 HydrophobicContact CD1-CE1 3.63Å; Y75-F78 AromaticContact CD1-CZ 3.63Å; Y75-F78 HydrophobicContact CD1-CZ 3.63Å; Y75-F78 HydrophobicContact CE1-CE1 4.18Å; Y75-F78 HydrophobicContact CE1-CZ 4.06Å; Y75-F78 HydrophobicContact CG-CE1 4.43Å; Y75-A79 WeakPolarHBondContact O-CB 3.37Å; Y75-A79 PolarHBondContact O-N 3.01Å
76F94.5Very high94.5Very high4 Ų449.8 Ų49.82%0.01828%0.275CS..Hα-helixtrans-66.5-33.9175.6-52.9-58.1000112.9L71 K73 H74 F82 E103 I104 F107 K108L71-F76 HydrophobicContact CB-CE1 4.46Å; L71-F76 HydrophobicContact CB-CE2 4.36Å; L71-F76 HydrophobicContact CB-CZ 3.79Å; L71-F76 HydrophobicContact CD2-CD1 4.37Å; L71-F76 HydrophobicContact CD2-CE1 3.69Å; L71-F76 HydrophobicContact CD2-CZ 3.86Å; L71-F76 HydrophobicContact CG-CZ 4.25Å; L71-F76 WeakPolarHBondContact O-CE2 3.26Å; K73-F76 HydrophobicContact CB-CD2 4.48Å; K73-F76 WeakPolarHBondContact O-CB 3.2Å; K73-F76 PolarHBondContact O-N 3.05Å; K73-F76 VanDerWaalsContact O-N 3.12Å; H74-F76 VanDerWaalsContact C-N 3.3Å; H74-F76 PolarHBondContact O-N 2.91Å; F76-F82 HydrophobicContact CD1-CE1 4.19Å; F76-F82 HydrophobicContact CD1-CZ 4.01Å; F76-E103 HydrophobicContact CE1-CB 4.34Å; F76-E103 HydrophobicContact CZ-CB 3.9Å; F76-I104 HydrophobicContact CD1-CG1 3.93Å; F76-I104 HydrophobicContact CE1-CG1 3.67Å; F76-F107 HydrophobicContact CB-CB 3.8Å; F76-F107 HydrophobicContact CB-CD1 4.21Å; F76-F107 HydrophobicContact CB-CG 3.96Å; F76-F107 HydrophobicContact CD2-CB 4.23Å; F76-F107 HydrophobicContact CD2-CD1 4.05Å; F76-F107 AromaticContact CD2-CD2 3.48Å; F76-F107 HydrophobicContact CD2-CD2 3.48Å; F76-F107 VanDerWaalsContact CD2-CD2 3.48Å; F76-F107 HydrophobicContact CD2-CE1 4.31Å; F76-F107 AromaticContact CD2-CE2 3.78Å; F76-F107 HydrophobicContact CD2-CE2 3.78Å; F76-F107 AromaticContact CD2-CG 3.65Å; F76-F107 HydrophobicContact CD2-CG 3.65Å; F76-F107 HydrophobicContact CD2-CZ 4.2Å; F76-F107 AromaticContact CE2-CD2 3.73Å; F76-F107 HydrophobicContact CE2-CD2 3.73Å; F76-F107 AromaticContact CE2-CE2 3.8Å; F76-F107 HydrophobicContact CE2-CE2 3.8Å; F76-F107 HydrophobicContact CE2-CG 4.36Å; F76-F107 HydrophobicContact CE2-CZ 4.48Å; F76-F107 HydrophobicContact CG-CB 3.97Å; F76-F107 HydrophobicContact CG-CD1 4.45Å; F76-F107 HydrophobicContact CG-CD2 4.06Å; F76-F107 AromaticContact CG-CG 3.9Å; F76-F107 HydrophobicContact CG-CG 3.9Å; F76-F107 HydrophobicContact CZ-CD2 4.43Å; F76-K108 WeakPolarHBondContact O-CE 3.38Å; F76-K108 PolarHBondContact O-NZ 3.03Å
77S91.2Very high94.7Very high98 Ų9845 Ų4569%0.68525%0.253SS*.Hα-helixtrans-71.2-44.4-175.8-61.90000112.9K73 H74 Y75K73-S77 PolarHBondContact O-N 3.26Å; H74-S77 PolarHBondContact O-N 3.02Å; H74-S77 VanDerWaalsContact O-N 3.14Å; Y75-S77 VanDerWaalsContact C-N 3.32Å; Y75-S77 PolarHBondContact O-N 3.11Å
78F91.5Very high95.1Very high55 Ų5538.4 Ų38.424%0.24122%0.222CC..Hα-helixtrans-95.5-21.8-172.279.4-106.9000114.6K6 V8 Y60 H74 Y75K6-F78 HydrophobicContact CB-CD2 3.92Å; K6-F78 HydrophobicContact CB-CE2 4.04Å; K6-F78 HydrophobicContact CD-CD2 3.47Å; K6-F78 VanDerWaalsContact CD-CD2 3.47Å; K6-F78 HydrophobicContact CD-CE2 4.07Å; K6-F78 HydrophobicContact CD-CG 4.4Å; K6-F78 HydrophobicContact CG-CD2 4.34Å; V8-F78 HydrophobicContact CG2-CE2 3.98Å; V8-F78 HydrophobicContact CG2-CZ 3.85Å; Y60-F78 HydrophobicContact CD1-CE2 4.01Å; Y60-F78 AromaticContact CD1-CZ 3.65Å; Y60-F78 HydrophobicContact CD1-CZ 3.65Å; Y60-F78 AromaticContact CD2-CE2 3.73Å; Y60-F78 HydrophobicContact CD2-CE2 3.73Å; Y60-F78 HydrophobicContact CD2-CZ 4.14Å; Y60-F78 AromaticContact CE1-CE2 3.84Å; Y60-F78 HydrophobicContact CE1-CE2 3.84Å; Y60-F78 AromaticContact CE1-CZ 3.71Å; Y60-F78 HydrophobicContact CE1-CZ 3.71Å; Y60-F78 HydrophobicContact CE2-CD2 4.45Å; Y60-F78 AromaticContact CE2-CE2 3.56Å; Y60-F78 HydrophobicContact CE2-CE2 3.56Å; Y60-F78 HydrophobicContact CE2-CZ 4.21Å; Y60-F78 AromaticContact CG-CE2 3.97Å; Y60-F78 HydrophobicContact CG-CE2 3.97Å; Y60-F78 AromaticContact CG-CZ 3.88Å; Y60-F78 HydrophobicContact CG-CZ 3.88Å; Y60-F78 AromaticContact CZ-CE2 3.61Å; Y60-F78 AromaticContact CZ-CZ 3.99Å; H74-F78 AromaticContact CD2-CE1 3.94Å; H74-F78 WeakPolarHBondContact O-CD1 3.33Å; H74-F78 PolarHBondContact O-N 3.41Å; Y75-F78 AromaticContact CD1-CE1 3.63Å; Y75-F78 HydrophobicContact CD1-CE1 3.63Å; Y75-F78 AromaticContact CD1-CZ 3.63Å; Y75-F78 HydrophobicContact CD1-CZ 3.63Å; Y75-F78 HydrophobicContact CE1-CE1 4.18Å; Y75-F78 HydrophobicContact CE1-CZ 4.06Å; Y75-F78 HydrophobicContact CG-CE1 4.43Å
79A94.9Very high95.5Very high2 Ų236 Ų362%0.01719%0.19CC..  trans-68.8133.6-172.800000111.8V8 Y75 F82 K108V8-A79 HydrophobicContact CB-CB 4.35Å; V8-A79 HydrophobicContact CG2-CB 3.66Å; Y75-A79 WeakPolarHBondContact O-CB 3.37Å; Y75-A79 PolarHBondContact O-N 3.01Å; A79-F82 HydrophobicContact CB-CE1 3.93Å; A79-F82 HydrophobicContact CB-CE2 3.84Å; A79-F82 HydrophobicContact CB-CZ 3.45Å; A79-F82 VanDerWaalsContact CB-CZ 3.45Å; A79-K108 PolarHBondContact O-NZ 3.14Å
80D94.1Very high95.8Very high80 Ų8034.7 Ų34.743%0.42818%0.18SC..SBendtrans-83.1-30.2170.7-58.3-59.1000110.6C5 K6 L168C5-D80 WeakPolarHBondContact CA-OD2 3.45Å; C5-D80 HydrophobicContact CB-CB 4.37Å; K6-D80 PolarHBondContact N-OD2 3.03Å; K6-D80 PolarHBondContact O-N 3.16Å; D80-L168 HydrophobicContact CB-CD2 3.9Å; D80-L168 VanDerWaalsContact O-CD2 3.23Å; D80-L168 WeakPolarHBondContact O-CD2 2.81Å
81G96.4Very high96Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-153172.3175.700000113.9K6 V7 V8 A114K6-G81 PolarHBondContact O-N 2.97Å; V7-G81 WeakPolarHBondContact CA-O 3.41Å; V8-G81 PolarHBondContact N-O 3.19Å; G81-A114 CarbonylContact C-O 3.58Å; G81-A114 WeakPolarHBondContact CA-O 3.32Å
82F98Very high96.2Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-133.6143.5-178.2-64.4-92.8000112.1V8 L71 F76 A79 L84 I104 V113 A114 I115 V116V8-F82 HydrophobicContact CB-CD1 3.79Å; V8-F82 HydrophobicContact CB-CE1 3.85Å; V8-F82 HydrophobicContact CG1-CD1 4.2Å; V8-F82 HydrophobicContact CG1-CE1 4.22Å; V8-F82 HydrophobicContact CG2-CE1 4.36Å; V8-F82 CarbonylContact O-C 3.6Å; V8-F82 WeakPolarHBondContact O-CA 3.29Å; L71-F82 HydrophobicContact CD2-CE1 4.5Å; F76-F82 HydrophobicContact CD1-CE1 4.19Å; F76-F82 HydrophobicContact CD1-CZ 4.01Å; A79-F82 HydrophobicContact CB-CE1 3.93Å; A79-F82 HydrophobicContact CB-CE2 3.84Å; A79-F82 HydrophobicContact CB-CZ 3.45Å; A79-F82 VanDerWaalsContact CB-CZ 3.45Å; F82-L84 HydrophobicContact CB-CD2 4.16Å; F82-I104 HydrophobicContact CB-CD1 4.03Å; F82-I104 HydrophobicContact CD1-CD1 3.84Å; F82-I104 HydrophobicContact CD1-CG1 4.38Å; F82-I104 HydrophobicContact CD2-CD1 3.89Å; F82-I104 HydrophobicContact CD2-CG1 4.29Å; F82-I104 HydrophobicContact CD2-CG2 4.13Å; F82-I104 HydrophobicContact CE1-CD1 4.29Å; F82-I104 HydrophobicContact CE1-CG1 4.33Å; F82-I104 HydrophobicContact CE2-CD1 4.34Å; F82-I104 HydrophobicContact CE2-CG1 4.25Å; F82-I104 HydrophobicContact CE2-CG2 4.01Å; F82-I104 HydrophobicContact CG-CD1 3.63Å; F82-I104 HydrophobicContact CG-CG1 4.36Å; F82-I104 HydrophobicContact CZ-CG1 4.28Å; F82-V113 HydrophobicContact CD2-CG1 3.65Å; F82-V113 HydrophobicContact CE2-CG1 3.82Å; F82-A114 PolarHBondContact N-O 3.02Å; F82-I115 HydrophobicContact CB-CG1 4.35Å; F82-I115 WeakPolarHBondContact O-CA 3.37Å; F82-V116 PolarHBondContact O-N 3.27Å
83V98.5Very high96.3Very high1 Ų132.3 Ų32.31%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-114114164179.70000107.4V7 V8 V9 C10 V85 V116 L118 F161 L164V7-V83 HydrophobicContact CG1-CG2 3.79Å; V8-V83 PolarHBondContact O-N 2.79Å; V9-V83 WeakPolarHBondContact CA-O 3.39Å; V9-V83 HydrophobicContact CG1-CB 4.29Å; V9-V83 HydrophobicContact CG1-CG1 4.36Å; V9-V83 HydrophobicContact CG2-CB 4.23Å; C10-V83 PolarHBondContact N-O 2.77Å; V83-V85 HydrophobicContact CG1-CG2 3.95Å; V83-V116 CarbonylContact C-O 3.47Å; V83-V116 WeakPolarHBondContact CA-O 3.35Å; V83-L118 HydrophobicContact CG1-CD1 3.63Å; V83-L118 HydrophobicContact CG1-CG 3.95Å; V83-F161 HydrophobicContact CG1-CZ 4.49Å; V83-F161 HydrophobicContact CG2-CE1 4.18Å; V83-F161 HydrophobicContact CG2-CZ 4.31Å; V83-L164 HydrophobicContact CG2-CD2 3.62Å
84L98.5Very high96.6Very high0 Ų026.6 Ų26.60%014%0.142CC..EExtended strand (participates in β ladder)trans-96.9126177.4-49.7-175.3000108.9C10 F82 V97 L100 K101 I104 I115 V116 V117 L118C10-L84 CarbonylContact O-C 3.58Å; C10-L84 WeakPolarHBondContact O-CA 3.22Å; C10-L84 WeakPolarHBondContact SG-CD2 3.5Å; F82-L84 HydrophobicContact CB-CD2 4.16Å; L84-V97 HydrophobicContact CB-CG1 3.81Å; L84-V97 HydrophobicContact CB-CG2 4.1Å; L84-V97 HydrophobicContact CD1-CG1 4Å; L84-L100 HydrophobicContact CD1-CB 4.34Å; L84-L100 HydrophobicContact CD2-CB 4.17Å; L84-L100 HydrophobicContact CD2-CD1 4.33Å; L84-K101 HydrophobicContact CD1-CB 4.21Å; L84-I104 HydrophobicContact CD1-CD1 4.4Å; L84-I104 HydrophobicContact CD2-CD1 3.88Å; L84-I115 HydrophobicContact CD1-CG2 3.92Å; L84-I115 HydrophobicContact CG-CG2 3.99Å; L84-V116 PolarHBondContact N-O 3.37Å; L84-V117 HydrophobicContact CB-CG2 4.27Å; L84-V117 HydrophobicContact CD1-CG2 4.4Å; L84-V117 CarbonylContact O-C 3.59Å; L84-V117 WeakPolarHBondContact O-CA 3.46Å; L84-L118 PolarHBondContact O-N 2.96Å
85V98.7Very high96.7Very high0 Ų026.4 Ų26.40%014%0.141CC..EExtended strand (participates in β ladder)trans-120.1128.9-174.7-168.70000110.3V9 C10 G11 V15 K17 I20 V83 L118 N120V9-V85 HydrophobicContact CG1-CG2 4.08Å; C10-V85 PolarHBondContact O-N 2.7Å; G11-V85 WeakPolarHBondContact CA-O 3.46Å; V15-V85 HydrophobicContact CB-CG1 4.14Å; V15-V85 HydrophobicContact CG2-CB 3.86Å; V15-V85 HydrophobicContact CG2-CG1 3.69Å; K17-V85 HydrophobicContact CG-CB 4.12Å; K17-V85 HydrophobicContact CG-CG2 4.14Å; I20-V85 HydrophobicContact CD1-CG1 3.77Å; I20-V85 HydrophobicContact CD1-CG2 4.44Å; V83-V85 HydrophobicContact CG1-CG2 3.95Å; V85-L118 WeakPolarHBondContact CA-O 3.34Å; V85-L118 HydrophobicContact CG1-CB 4.46Å; V85-L118 HydrophobicContact CG2-CB 4.43Å; V85-L118 HydrophobicContact CG2-CD1 4.49Å; V85-N120 HydrophobicContact CG1-CB 4.28Å
86Y98.7Very high96.8Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-124.2167.5165.674.4-83.7000109.3V88 S93 F94 V97 V117 L118 N120 V130 L146Y86-V88 HydrophobicContact CE2-CG1 4.28Å; Y86-S93 WeakPolarHBondContact CB-O 3.42Å; Y86-S93 WeakPolarHBondContact CB-OG 3.33Å; Y86-F94 AromaticContact CD1-CD2 3.86Å; Y86-F94 HydrophobicContact CD1-CD2 3.86Å; Y86-F94 HydrophobicContact CD2-CB 3.83Å; Y86-F94 AromaticContact CD2-CD2 3.98Å; Y86-F94 HydrophobicContact CD2-CD2 3.98Å; Y86-F94 HydrophobicContact CD2-CG 4.36Å; Y86-F94 AromaticContact CE1-CD2 3.81Å; Y86-F94 HydrophobicContact CE1-CD2 3.81Å; Y86-F94 HydrophobicContact CE1-CE2 4.25Å; Y86-F94 HydrophobicContact CE2-CB 4.38Å; Y86-F94 AromaticContact CE2-CD2 3.94Å; Y86-F94 HydrophobicContact CE2-CD2 3.94Å; Y86-F94 HydrophobicContact CG-CB 4.08Å; Y86-F94 AromaticContact CG-CD2 3.95Å; Y86-F94 HydrophobicContact CG-CD2 3.95Å; Y86-F94 AromaticContact CZ-CD2 3.85Å; Y86-V97 HydrophobicContact CD1-CG2 4.47Å; Y86-V117 HydrophobicContact CD1-CG1 4.12Å; Y86-V117 HydrophobicContact CE1-CG1 4.06Å; Y86-L118 WeakPolarHBondContact CD1-O 3.31Å; Y86-L118 PolarHBondContact N-O 3.07Å; Y86-N120 PolarHBondContact O-N 3.41Å; Y86-V130 HydrophobicContact CD2-CG2 4.19Å; Y86-V130 HydrophobicContact CE2-CB 4.04Å; Y86-V130 HydrophobicContact CE2-CG1 3.81Å; Y86-V130 HydrophobicContact CE2-CG2 4.09Å; Y86-L146 HydrophobicContact CE1-CD1 3.92Å; Y86-L146 HydrophobicContact CE1-CG 4.43Å
87S98Very high97Very high4 Ų426.5 Ų26.53%0.02814%0.141CC..EExtended strand (participates in β ladder)trans-110.2138.3169.266.60000110.9N89 N90 S93 N120S87-N89 VanDerWaalsContact CB-OD1 3.24Å; S87-N89 WeakPolarHBondContact CB-OD1 3.42Å; S87-N89 PolarHBondContact O-N 3.35Å; S87-N89 VanDerWaalsContact O-N 3.09Å; S87-N89 PolarHBondContact OG-OD1 2.9Å; S87-N90 PolarHBondContact O-N 3.16Å; S87-N90 WeakPolarHBondContact OG-CB 3.37Å; S87-S93 PolarHBondContact N-OG 3.29Å; S87-S93 PolarHBondContact O-OG 2.86Å; S87-N120 CarbonylContact C-O 3.55Å; S87-N120 WeakPolarHBondContact CA-O 3.36Å
88V98.3Very high97.3Very high0 Ų024.5 Ų24.50%012%0.121CC..THydrogen-bonded Turntrans-62.8-21.2-175.6-58.30000113.1Y86 N120 K121 I122 R128 Q129 V130Y86-V88 HydrophobicContact CE2-CG1 4.28Å; V88-N120 WeakPolarHBondContact CG1-O 3.31Å; V88-N120 PolarHBondContact N-O 2.96Å; V88-K121 WeakPolarHBondContact CG2-O 3.41Å; V88-I122 HydrophobicContact CG1-CG2 4.05Å; V88-R128 WeakPolarHBondContact O-CA 3.37Å; V88-Q129 PolarHBondContact O-N 3Å; V88-V130 PolarHBondContact O-N 3.35Å
89N97.8Very high97.6Very high31 Ų3126.1 Ų26.117%0.16613%0.132CC..THydrogen-bonded Turntrans-91.48177.574.2-33.9000114.1S87 L124 Q127 Q129S87-N89 VanDerWaalsContact CB-OD1 3.24Å; S87-N89 WeakPolarHBondContact CB-OD1 3.42Å; S87-N89 PolarHBondContact O-N 3.35Å; S87-N89 VanDerWaalsContact O-N 3.09Å; S87-N89 PolarHBondContact OG-OD1 2.9Å; N89-L124 HydrophobicContact CB-CB 4.39Å; N89-L124 HydrophobicContact CB-CD1 4.43Å; N89-L124 WeakPolarHBondContact ND2-CD1 3.35Å; N89-Q127 VanDerWaalsContact CA-O 3.26Å; N89-Q127 WeakPolarHBondContact CA-O 3.5Å; N89-Q127 HydrophobicContact CB-CB 3.94Å; N89-Q127 VanDerWaalsContact CB-O 3.26Å; N89-Q127 WeakPolarHBondContact CB-O 3.24Å; N89-Q129 PolarHBondContact O-NE2 2.84Å; N89-Q129 PolarHBondContact O-OE1 2.8Å
90N97.6Very high97.7Very high40 Ų4026 Ų2621%0.21413%0.131CC..  trans-137.7103.3177.7-178.4-16.8000110.5S87 E92 S93 F94S87-N90 PolarHBondContact O-N 3.16Å; S87-N90 WeakPolarHBondContact OG-CB 3.37Å; N90-E92 VanDerWaalsContact C-N 3.33Å; N90-E92 PolarHBondContact O-N 3.49Å; N90-E92 WeakPolarHBondContact OD1-CB 3.5Å; N90-E92 PolarHBondContact OD1-N 2.7Å; N90-S93 PolarHBondContact O-N 3.25Å; N90-S93 PolarHBondContact O-OG 3.32Å; N90-S93 PolarHBondContact OD1-N 3.05Å; N90-F94 PolarHBondContact O-N 2.85Å
91L97.8Very high97.8Very high76 Ų7622.7 Ų22.740%0.39811%0.113SC..Hα-helixtrans-62.1-38.9179.3178.361.3000113.1S93 F94 Q95 Q129 V130L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 3.09Å; L91-F94 WeakPolarHBondContact O-CB 3.43Å; L91-F94 PolarHBondContact O-N 2.82Å; L91-F94 VanDerWaalsContact O-N 3.08Å; L91-Q95 PolarHBondContact O-N 2.99Å; L91-Q129 HydrophobicContact CB-CB 4.14Å; L91-Q129 VanDerWaalsContact N-OE1 3.08Å; L91-V130 HydrophobicContact CD1-CG2 4.29Å
92E97.6Very high97.8Very high56 Ų5628.2 Ų28.226%0.26214%0.137SC..Hα-helixtrans-65.1-35-179.1-170-126118.200111L12 E67 N90 F94 Q95 R96L12-E92 WeakPolarHBondContact CD1-OE1 3.39Å; L12-E92 WeakPolarHBondContact CD2-OE1 3.29Å; E67-E92 HydrophobicContact CG-CG 4.21Å; E67-E92 WeakPolarHBondContact CG-OE1 3.49Å; E67-E92 VanDerWaalsContact OE1-CG 3.3Å; E67-E92 WeakPolarHBondContact OE1-CG 3.28Å; E67-E92 VanDerWaalsContact OE1-OE2 3.13Å; N90-E92 VanDerWaalsContact C-N 3.33Å; N90-E92 PolarHBondContact O-N 3.49Å; N90-E92 WeakPolarHBondContact OD1-CB 3.5Å; N90-E92 PolarHBondContact OD1-N 2.7Å; E92-F94 VanDerWaalsContact C-N 3.31Å; E92-F94 PolarHBondContact O-N 2.99Å; E92-Q95 PolarHBondContact O-N 3.32Å; E92-R96 PolarHBondContact O-N 3.03Å
93S98.2Very high97.6Very high0 Ų029.8 Ų29.80%014%0.144CC..Hα-helixtrans-63.6-33.7172.380.90000113.3Y86 S87 N90 L91 V97Y86-S93 WeakPolarHBondContact CB-O 3.42Å; Y86-S93 WeakPolarHBondContact CB-OG 3.33Å; S87-S93 PolarHBondContact N-OG 3.29Å; S87-S93 PolarHBondContact O-OG 2.86Å; N90-S93 PolarHBondContact O-N 3.25Å; N90-S93 PolarHBondContact O-OG 3.32Å; N90-S93 PolarHBondContact OD1-N 3.05Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 3.09Å; S93-V97 PolarHBondContact O-N 2.87Å
94F98.4Very high97.5Very high8 Ų829.7 Ų29.74%0.03514%0.143CC..Hα-helixtrans-71.6-45.6174.3177.3-103.8000111.1Y86 N90 L91 E92 R96 V97 E98 V130 A135 W138Y86-F94 AromaticContact CD1-CD2 3.86Å; Y86-F94 HydrophobicContact CD1-CD2 3.86Å; Y86-F94 HydrophobicContact CD2-CB 3.83Å; Y86-F94 AromaticContact CD2-CD2 3.98Å; Y86-F94 HydrophobicContact CD2-CD2 3.98Å; Y86-F94 HydrophobicContact CD2-CG 4.36Å; Y86-F94 AromaticContact CE1-CD2 3.81Å; Y86-F94 HydrophobicContact CE1-CD2 3.81Å; Y86-F94 HydrophobicContact CE1-CE2 4.25Å; Y86-F94 HydrophobicContact CE2-CB 4.38Å; Y86-F94 AromaticContact CE2-CD2 3.94Å; Y86-F94 HydrophobicContact CE2-CD2 3.94Å; Y86-F94 HydrophobicContact CG-CB 4.08Å; Y86-F94 AromaticContact CG-CD2 3.95Å; Y86-F94 HydrophobicContact CG-CD2 3.95Å; Y86-F94 AromaticContact CZ-CD2 3.85Å; N90-F94 PolarHBondContact O-N 2.85Å; L91-F94 WeakPolarHBondContact O-CB 3.43Å; L91-F94 PolarHBondContact O-N 2.82Å; L91-F94 VanDerWaalsContact O-N 3.08Å; E92-F94 VanDerWaalsContact C-N 3.31Å; E92-F94 PolarHBondContact O-N 2.99Å; F94-R96 PolarHBondContact O-N 2.92Å; F94-V97 WeakPolarHBondContact O-CA 3.49Å; F94-V97 WeakPolarHBondContact O-CB 3.43Å; F94-V97 PolarHBondContact O-N 3Å; F94-E98 HydrophobicContact CD1-CG 4.38Å; F94-E98 HydrophobicContact CE1-CG 4.03Å; F94-E98 HydrophobicContact CZ-CG 4.3Å; F94-E98 PolarHBondContact O-N 3.33Å; F94-V130 HydrophobicContact CB-CG1 4.22Å; F94-V130 HydrophobicContact CB-CG2 3.71Å; F94-V130 HydrophobicContact CD1-CG1 4.23Å; F94-V130 HydrophobicContact CD2-CG1 4.1Å; F94-V130 HydrophobicContact CG-CG1 3.91Å; F94-V130 HydrophobicContact CG-CG2 4.31Å; F94-A135 HydrophobicContact CD2-CB 4.48Å; F94-A135 HydrophobicContact CE2-CB 3.77Å; F94-A135 HydrophobicContact CZ-CB 4.01Å; F94-W138 HydrophobicContact CE2-CD2 4.33Å; F94-W138 AromaticContact CE2-CE3 3.87Å; F94-W138 HydrophobicContact CE2-CE3 3.87Å; F94-W138 HydrophobicContact CE2-CZ3 4.34Å; F94-W138 HydrophobicContact CZ-CB 4.02Å; F94-W138 AromaticContact CZ-CD2 3.9Å; F94-W138 HydrophobicContact CZ-CD2 3.9Å; F94-W138 AromaticContact CZ-CE3 3.88Å; F94-W138 HydrophobicContact CZ-CE3 3.88Å; F94-W138 AromaticContact CZ-CG 3.94Å; F94-W138 HydrophobicContact CZ-CG 3.94Å
95Q97.6Very high97.2Very high92 Ų9232.3 Ų32.343%0.4316%0.157SC..Hα-helixtrans-56.4-36.6173.9-67.8173.3-16.200111.7L91 E92 V97 E98 L99L91-Q95 PolarHBondContact O-N 2.99Å; E92-Q95 PolarHBondContact O-N 3.32Å; Q95-V97 PolarHBondContact O-N 3.07Å; Q95-E98 WeakPolarHBondContact O-CB 3.41Å; Q95-E98 PolarHBondContact O-N 3.2Å; Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 3.09Å; Q95-L99 VanDerWaalsContact O-N 3.09Å
96R97.7Very high97Very high14 Ų1440.3 Ų40.35%0.05319%0.192CC..Hα-helixtrans-63.1-39.6173.8-174.664.7-170.9110-9.8112.5L12 V69 E92 F94 E98 L99 L100 E103L12-R96 HydrophobicContact CD1-CB 4.43Å; L12-R96 HydrophobicContact CD1-CG 4.27Å; V69-R96 PolarHBondContact O-NE 3.15Å; V69-R96 PolarHBondContact O-NH2 2.97Å; E92-R96 PolarHBondContact O-N 3.03Å; F94-R96 PolarHBondContact O-N 2.92Å; R96-E98 VanDerWaalsContact C-N 3.33Å; R96-L99 PolarHBondContact O-N 2.98Å; R96-L100 HydrophobicContact CG-CD1 4.35Å; R96-L100 WeakPolarHBondContact O-CG 3.25Å; R96-L100 PolarHBondContact O-N 3.23Å; R96-E103 IonicContact CZ-OE1 3.49Å; R96-E103 IonicContact NH1-OE1 3.5Å; R96-E103 PolarHBondContact NH1-OE1 3.41Å; R96-E103 IonicContact NH1-OE2 2.65Å; R96-E103 IonicContact NH2-OE1 2.76Å; R96-E103 PolarHBondContact NH2-OE1 3.12Å; R96-E103 IonicContact NH2-OE2 3.38Å; R96-E103 PolarHBondContact NH2-OE2 2.82Å
97V98.1Very high96.7Very high0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-63-39.6174.4165.40000111.4L84 Y86 S93 F94 Q95 L99 L100 K101 V117 W138L84-V97 HydrophobicContact CB-CG1 3.81Å; L84-V97 HydrophobicContact CB-CG2 4.1Å; L84-V97 HydrophobicContact CD1-CG1 4Å; Y86-V97 HydrophobicContact CD1-CG2 4.47Å; S93-V97 PolarHBondContact O-N 2.87Å; F94-V97 WeakPolarHBondContact O-CA 3.49Å; F94-V97 WeakPolarHBondContact O-CB 3.43Å; F94-V97 PolarHBondContact O-N 3Å; Q95-V97 PolarHBondContact O-N 3.07Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.31Å; V97-L100 PolarHBondContact O-N 2.95Å; V97-K101 PolarHBondContact O-N 2.94Å; V97-V117 HydrophobicContact CG1-CG1 3.87Å; V97-V117 HydrophobicContact CG1-CG2 4.48Å; V97-W138 HydrophobicContact CG1-CH2 3.64Å; V97-W138 HydrophobicContact CG1-CZ2 4.4Å; V97-W138 HydrophobicContact CG1-CZ3 4.13Å
98E97.8Very high96.2Very high55 Ų5545.7 Ų45.726%0.25722%0.215SC..Hα-helixtrans-60.3-42.1174.3-54.8-174.39700111.8F94 Q95 R96 K102 W138F94-E98 HydrophobicContact CD1-CG 4.38Å; F94-E98 HydrophobicContact CE1-CG 4.03Å; F94-E98 HydrophobicContact CZ-CG 4.3Å; F94-E98 PolarHBondContact O-N 3.33Å; Q95-E98 WeakPolarHBondContact O-CB 3.41Å; Q95-E98 PolarHBondContact O-N 3.2Å; R96-E98 VanDerWaalsContact C-N 3.33Å; E98-K102 WeakPolarHBondContact O-CG 3.37Å; E98-K102 PolarHBondContact O-N 2.7Å; E98-W138 HydrophobicContact CB-CZ2 4.33Å; E98-W138 HydrophobicContact CG-CD2 4.34Å; E98-W138 HydrophobicContact CG-CZ2 4.16Å; E98-W138 PolarHBondContact OE1-NE1 2.81Å
99L96.9Very high95.6Very high90 Ų9051.8 Ų51.847%0.47125%0.248SC..Hα-helixtrans-67-44.7175.7-68173.6000112.1Q95 R96 V97 K101 K102 E103Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 3.09Å; Q95-L99 VanDerWaalsContact O-N 3.09Å; R96-L99 PolarHBondContact O-N 2.98Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.31Å; L99-K101 VanDerWaalsContact C-N 3.28Å; L99-K101 PolarHBondContact O-N 2.88Å; L99-K102 WeakPolarHBondContact O-CB 3.45Å; L99-K102 PolarHBondContact O-N 2.57Å; L99-K102 VanDerWaalsContact O-N 3.11Å; L99-E103 WeakPolarHBondContact O-CG 3.46Å; L99-E103 PolarHBondContact O-N 2.9Å
100L97.1Very high94.2Very high0 Ų059.1 Ų59.10%028%0.278CS..Hα-helixtrans-57.4-42.3177.1-77.1168.9000111.4L65 L71 L84 R96 V97 K102 E103 I104L65-L100 HydrophobicContact CD1-CD1 4.25Å; L65-L100 HydrophobicContact CD1-CD2 3.94Å; L71-L100 HydrophobicContact CB-CD2 3.91Å; L71-L100 HydrophobicContact CD2-CD2 4.4Å; L84-L100 HydrophobicContact CD1-CB 4.34Å; L84-L100 HydrophobicContact CD2-CB 4.17Å; L84-L100 HydrophobicContact CD2-CD1 4.33Å; R96-L100 HydrophobicContact CG-CD1 4.35Å; R96-L100 WeakPolarHBondContact O-CG 3.25Å; R96-L100 PolarHBondContact O-N 3.23Å; V97-L100 PolarHBondContact O-N 2.95Å; L100-K102 PolarHBondContact O-N 3.41Å; L100-E103 WeakPolarHBondContact O-CB 3.48Å; L100-E103 PolarHBondContact O-N 3.5Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.4Å; L100-I104 PolarHBondContact O-N 3.42Å
101K96.7Very high93.3Very high10 Ų1064.3 Ų64.34%0.04330%0.299CS..Hα-helixtrans-60.2-45.2176.117753.1172.854.80111.8L84 V97 L99 E103 I104 D105 I115 W138 E142 V144L84-K101 HydrophobicContact CD1-CB 4.21Å; V97-K101 PolarHBondContact O-N 2.94Å; L99-K101 VanDerWaalsContact C-N 3.28Å; L99-K101 PolarHBondContact O-N 2.88Å; K101-E103 PolarHBondContact O-N 2.89Å; K101-I104 PolarHBondContact O-N 3.2Å; K101-D105 WeakPolarHBondContact CE-OD1 3.4Å; K101-D105 IonicContact NZ-OD1 3.6Å; K101-D105 PolarHBondContact NZ-OD1 3.25Å; K101-D105 IonicContact NZ-OD2 2.76Å; K101-D105 PolarHBondContact NZ-OD2 3.45Å; K101-D105 PolarHBondContact O-N 3.21Å; K101-I115 HydrophobicContact CD-CD1 3.64Å; K101-W138 HydrophobicContact CB-CH2 4.49Å; K101-W138 HydrophobicContact CB-CZ2 4.06Å; K101-W138 HydrophobicContact CG-CZ2 4.32Å; K101-E142 WeakPolarHBondContact CE-O 3.46Å; K101-E142 HydrophobicContact CG-CB 4.3Å; K101-E142 HydrophobicContact CG-CG 4.23Å; K101-E142 WeakPolarHBondContact CG-OE2 3.49Å; K101-E142 PolarHBondContact NZ-O 3.49Å; K101-E142 IonicContact NZ-OE2 3.34Å; K101-E142 PolarHBondContact NZ-OE2 3.3Å; K101-V144 HydrophobicContact CD-CG1 4.11Å
102K95Very high92.4Very high116 Ų11670.4 Ų70.450%0.50433%0.325SS..Hα-helixtrans-63.8-39.9176.2-67172.4-172.6171.80112.2E98 L99 L100 K106E98-K102 WeakPolarHBondContact O-CG 3.37Å; E98-K102 PolarHBondContact O-N 2.7Å; L99-K102 WeakPolarHBondContact O-CB 3.45Å; L99-K102 PolarHBondContact O-N 2.57Å; L99-K102 VanDerWaalsContact O-N 3.11Å; L100-K102 PolarHBondContact O-N 3.41Å; K102-K106 WeakPolarHBondContact O-CB 3.35Å; K102-K106 PolarHBondContact O-N 3.41Å; K102-K106 VanDerWaalsContact O-N 3.1Å
103E94.7Very high92Very high32 Ų3269.3 Ų69.315%0.1532%0.322CS..Hα-helixtrans-60.6-49174.5-71.4166.4-150.400110.8F76 R96 L99 L100 K101 D105 K106 F107F76-E103 HydrophobicContact CE1-CB 4.34Å; F76-E103 HydrophobicContact CZ-CB 3.9Å; R96-E103 IonicContact CZ-OE1 3.49Å; R96-E103 IonicContact NH1-OE1 3.5Å; R96-E103 PolarHBondContact NH1-OE1 3.41Å; R96-E103 IonicContact NH1-OE2 2.65Å; R96-E103 IonicContact NH2-OE1 2.76Å; R96-E103 PolarHBondContact NH2-OE1 3.12Å; R96-E103 IonicContact NH2-OE2 3.38Å; R96-E103 PolarHBondContact NH2-OE2 2.82Å; L99-E103 WeakPolarHBondContact O-CG 3.46Å; L99-E103 PolarHBondContact O-N 2.9Å; L100-E103 WeakPolarHBondContact O-CB 3.48Å; L100-E103 PolarHBondContact O-N 3.5Å; K101-E103 PolarHBondContact O-N 2.89Å; E103-D105 PolarHBondContact O-N 3.44Å; E103-K106 PolarHBondContact O-N 3.14Å; E103-F107 WeakPolarHBondContact O-CD2 3.23Å; E103-F107 PolarHBondContact O-N 3Å
104I95.6Very high91.9Very high0 Ų069.8 Ų69.80%033%0.326CS..Hα-helixtrans-59-50.1179.1-68.3162.6000111F76 F82 L84 L100 K101 K106 F107 K108 V113 I115F76-I104 HydrophobicContact CD1-CG1 3.93Å; F76-I104 HydrophobicContact CE1-CG1 3.67Å; F82-I104 HydrophobicContact CB-CD1 4.03Å; F82-I104 HydrophobicContact CD1-CD1 3.84Å; F82-I104 HydrophobicContact CD1-CG1 4.38Å; F82-I104 HydrophobicContact CD2-CD1 3.89Å; F82-I104 HydrophobicContact CD2-CG1 4.29Å; F82-I104 HydrophobicContact CD2-CG2 4.13Å; F82-I104 HydrophobicContact CE1-CD1 4.29Å; F82-I104 HydrophobicContact CE1-CG1 4.33Å; F82-I104 HydrophobicContact CE2-CD1 4.34Å; F82-I104 HydrophobicContact CE2-CG1 4.25Å; F82-I104 HydrophobicContact CE2-CG2 4.01Å; F82-I104 HydrophobicContact CG-CD1 3.63Å; F82-I104 HydrophobicContact CG-CG1 4.36Å; F82-I104 HydrophobicContact CZ-CG1 4.28Å; L84-I104 HydrophobicContact CD1-CD1 4.4Å; L84-I104 HydrophobicContact CD2-CD1 3.88Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.4Å; L100-I104 PolarHBondContact O-N 3.42Å; K101-I104 PolarHBondContact O-N 3.2Å; I104-K106 VanDerWaalsContact C-N 3.27Å; I104-K106 PolarHBondContact O-N 3.33Å; I104-F107 PolarHBondContact O-N 3.12Å; I104-K108 HydrophobicContact CG2-CG 4.17Å; I104-K108 VanDerWaalsContact O-CB 3.31Å; I104-K108 WeakPolarHBondContact O-CB 3.32Å; I104-K108 WeakPolarHBondContact O-CG 3.32Å; I104-K108 PolarHBondContact O-N 2.62Å; I104-V113 HydrophobicContact CG2-CG1 4.42Å; I104-I115 HydrophobicContact CB-CD1 4.45Å; I104-I115 HydrophobicContact CD1-CD1 4.27Å; I104-I115 HydrophobicContact CG2-CD1 3.83Å
105D93.8Very high91.8Very high54 Ų5469.8 Ų69.829%0.28933%0.327SS..Hα-helixtrans-59.5-39.9-179.6-77.93.3000112.2K101 E103 K110K101-D105 WeakPolarHBondContact CE-OD1 3.4Å; K101-D105 IonicContact NZ-OD1 3.6Å; K101-D105 PolarHBondContact NZ-OD1 3.25Å; K101-D105 IonicContact NZ-OD2 2.76Å; K101-D105 PolarHBondContact NZ-OD2 3.45Å; K101-D105 PolarHBondContact O-N 3.21Å; E103-D105 PolarHBondContact O-N 3.44Å; D105-K110 PolarHBondContact O-N 2.96Å; D105-K110 VanDerWaalsContact O-N 3.09Å
106K92.9Very high91.8Very high169 Ų16965.5 Ų65.574%0.73531%0.307SS*.Hα-helixtrans-66.3-43.9177.1-177.7-178.2177.3-1770111.5K102 E103 I104K102-K106 WeakPolarHBondContact O-CB 3.35Å; K102-K106 PolarHBondContact O-N 3.41Å; K102-K106 VanDerWaalsContact O-N 3.1Å; E103-K106 PolarHBondContact O-N 3.14Å; I104-K106 VanDerWaalsContact C-N 3.27Å; I104-K106 PolarHBondContact O-N 3.33Å
107F92.6Very high91.8Very high80 Ų8064.8 Ų64.835%0.35130%0.304SS..Hα-helixtrans-74.8-29.4-178.6-92.1-81.9000113.8K73 F76 E103 I104 D109K73-F107 HydrophobicContact CB-CE1 4.18Å; K73-F107 HydrophobicContact CB-CZ 4.24Å; K73-F107 HydrophobicContact CD-CE1 3.9Å; K73-F107 HydrophobicContact CD-CZ 3.58Å; K73-F107 HydrophobicContact CG-CE1 4Å; K73-F107 HydrophobicContact CG-CE2 4.45Å; K73-F107 HydrophobicContact CG-CZ 3.6Å; F76-F107 HydrophobicContact CB-CB 3.8Å; F76-F107 HydrophobicContact CB-CD1 4.21Å; F76-F107 HydrophobicContact CB-CG 3.96Å; F76-F107 HydrophobicContact CD2-CB 4.23Å; F76-F107 HydrophobicContact CD2-CD1 4.05Å; F76-F107 AromaticContact CD2-CD2 3.48Å; F76-F107 HydrophobicContact CD2-CD2 3.48Å; F76-F107 VanDerWaalsContact CD2-CD2 3.48Å; F76-F107 HydrophobicContact CD2-CE1 4.31Å; F76-F107 AromaticContact CD2-CE2 3.78Å; F76-F107 HydrophobicContact CD2-CE2 3.78Å; F76-F107 AromaticContact CD2-CG 3.65Å; F76-F107 HydrophobicContact CD2-CG 3.65Å; F76-F107 HydrophobicContact CD2-CZ 4.2Å; F76-F107 AromaticContact CE2-CD2 3.73Å; F76-F107 HydrophobicContact CE2-CD2 3.73Å; F76-F107 AromaticContact CE2-CE2 3.8Å; F76-F107 HydrophobicContact CE2-CE2 3.8Å; F76-F107 HydrophobicContact CE2-CG 4.36Å; F76-F107 HydrophobicContact CE2-CZ 4.48Å; F76-F107 HydrophobicContact CG-CB 3.97Å; F76-F107 HydrophobicContact CG-CD1 4.45Å; F76-F107 HydrophobicContact CG-CD2 4.06Å; F76-F107 AromaticContact CG-CG 3.9Å; F76-F107 HydrophobicContact CG-CG 3.9Å; F76-F107 HydrophobicContact CZ-CD2 4.43Å; E103-F107 WeakPolarHBondContact O-CD2 3.23Å; E103-F107 PolarHBondContact O-N 3Å; I104-F107 PolarHBondContact O-N 3.12Å; F107-D109 VanDerWaalsContact C-N 3.33Å
108K88.7Confident91.9Very high36 Ų3664.8 Ų64.816%0.15730%0.304CS..THydrogen-bonded Turntrans-93.912.2-176.2-66-75-154.6-175.40113F76 A79 I104 K110 K111 V113F76-K108 WeakPolarHBondContact O-CE 3.38Å; F76-K108 PolarHBondContact O-NZ 3.03Å; A79-K108 PolarHBondContact O-NZ 3.14Å; I104-K108 HydrophobicContact CG2-CG 4.17Å; I104-K108 VanDerWaalsContact O-CB 3.31Å; I104-K108 WeakPolarHBondContact O-CB 3.32Å; I104-K108 WeakPolarHBondContact O-CG 3.32Å; I104-K108 PolarHBondContact O-N 2.62Å; K108-K110 PolarHBondContact O-N 3.4Å; K108-K111 VanDerWaalsContact O-CB 3.26Å; K108-K111 WeakPolarHBondContact O-CB 3.5Å; K108-K111 VanDerWaalsContact O-CG 3.3Å; K108-K111 WeakPolarHBondContact O-CG 3.48Å; K108-K111 PolarHBondContact O-N 2.98Å; K108-V113 HydrophobicContact CB-CG2 3.68Å; K108-V113 HydrophobicContact CD-CG2 3.89Å; K108-V113 HydrophobicContact CG-CG2 3.58Å
109D84.2Confident91.9Very high129 Ų12962.2 Ų62.269%0.6929%0.292SS*.THydrogen-bonded Turntrans50.139.3-178.2-62.1-43.1000112.9F107 K111F107-D109 VanDerWaalsContact C-N 3.33Å; D109-K111 PolarHBondContact O-N 3.33Å
110K69.8Low92Very high185 Ų18558 Ų5880%0.80427%0.27SS*.THydrogen-bonded Turntrans55.620.4-175.7-54.4-179.8177.6-179.90114.9D105 K108D105-K110 PolarHBondContact O-N 2.96Å; D105-K110 VanDerWaalsContact O-N 3.09Å; K108-K110 PolarHBondContact O-N 3.4Å
111K77.9Confident91.9Very high148 Ų14860.3 Ų60.364%0.64328%0.28SS*.  trans-62.5143.7165.8-68175.8-178.4172.40108.7K108 D109 V113K108-K111 VanDerWaalsContact O-CB 3.26Å; K108-K111 WeakPolarHBondContact O-CB 3.5Å; K108-K111 VanDerWaalsContact O-CG 3.3Å; K108-K111 WeakPolarHBondContact O-CG 3.48Å; K108-K111 PolarHBondContact O-N 2.98Å; D109-K111 PolarHBondContact O-N 3.33Å; K111-V113 WeakPolarHBondContact O-CG2 3.4Å; K111-V113 PolarHBondContact O-N 3.01Å
112E78.7Confident91.9Very high205 Ų20562.3 Ų62.396%0.95829%0.291SS*.  trans-64.4112.1174.2-69.1-170.5166.800109.3
113V90.6Very high91.8Very high32 Ų3261 Ų6119%0.19429%0.289CS..  trans-110137.4176.6176.20000107.3F82 I104 K108 K111 I115F82-V113 HydrophobicContact CD2-CG1 3.65Å; F82-V113 HydrophobicContact CE2-CG1 3.82Å; I104-V113 HydrophobicContact CG2-CG1 4.42Å; K108-V113 HydrophobicContact CB-CG2 3.68Å; K108-V113 HydrophobicContact CD-CG2 3.89Å; K108-V113 HydrophobicContact CG-CG2 3.58Å; K111-V113 WeakPolarHBondContact O-CG2 3.4Å; K111-V113 PolarHBondContact O-N 3.01Å; V113-I115 HydrophobicContact CB-CG1 4.45Å; V113-I115 HydrophobicContact CG1-CG1 4.17Å; V113-I115 PolarHBondContact O-N 3.29Å; V113-I115 VanDerWaalsContact O-N 3.11Å
114A94.3Very high91.8Very high11 Ų1161.7 Ų61.79%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-71.7109.917800000109.5G81 F82 L164 K167 L168G81-A114 CarbonylContact C-O 3.58Å; G81-A114 WeakPolarHBondContact CA-O 3.32Å; F82-A114 PolarHBondContact N-O 3.02Å; A114-L164 HydrophobicContact CB-CD1 3.75Å; A114-K167 HydrophobicContact CB-CB 3.85Å; A114-K167 HydrophobicContact CB-CD 4.28Å; A114-L168 HydrophobicContact CB-CD2 3.61Å; A114-L168 HydrophobicContact CB-CG 3.9Å
115I97Very high91.6Very high8 Ų865.4 Ų65.44%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-121.8134.9178.5-56173.2000109.1F82 L84 K101 I104 V113 V117 V144F82-I115 HydrophobicContact CB-CG1 4.35Å; F82-I115 WeakPolarHBondContact O-CA 3.37Å; L84-I115 HydrophobicContact CD1-CG2 3.92Å; L84-I115 HydrophobicContact CG-CG2 3.99Å; K101-I115 HydrophobicContact CD-CD1 3.64Å; I104-I115 HydrophobicContact CB-CD1 4.45Å; I104-I115 HydrophobicContact CD1-CD1 4.27Å; I104-I115 HydrophobicContact CG2-CD1 3.83Å; V113-I115 HydrophobicContact CB-CG1 4.45Å; V113-I115 HydrophobicContact CG1-CG1 4.17Å; V113-I115 PolarHBondContact O-N 3.29Å; V113-I115 VanDerWaalsContact O-N 3.11Å; I115-V117 HydrophobicContact CG2-CG2 4.47Å; I115-V144 HydrophobicContact CB-CG1 4Å; I115-V144 HydrophobicContact CG2-CG1 3.96Å
116V97.7Very high91.8Very high1 Ų172 Ų721%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-123.9140.7169.6164.50000108.4F82 V83 L84 L118 W147 P160 L164F82-V116 PolarHBondContact O-N 3.27Å; V83-V116 CarbonylContact C-O 3.47Å; V83-V116 WeakPolarHBondContact CA-O 3.35Å; L84-V116 PolarHBondContact N-O 3.37Å; V116-L118 HydrophobicContact CG1-CD2 3.97Å; V116-L118 HydrophobicContact CG1-CG 4.37Å; V116-W147 HydrophobicContact CB-CZ3 4.48Å; V116-W147 HydrophobicContact CG1-CE3 3.94Å; V116-W147 HydrophobicContact CG1-CZ3 3.8Å; V116-W147 HydrophobicContact CG2-CZ3 4.13Å; V116-P160 HydrophobicContact CG1-CB 3.7Å; V116-L164 HydrophobicContact CG2-CB 4.04Å; V116-L164 HydrophobicContact CG2-CD1 4.12Å
117V98.7Very high91.9Very high0 Ų069.5 Ų69.50%034%0.34CS..EExtended strand (participates in β ladder)trans-114.7134.8176.9-174.90000109.7L84 Y86 V97 I115 W138 V144 R145 L146 W147L84-V117 HydrophobicContact CB-CG2 4.27Å; L84-V117 HydrophobicContact CD1-CG2 4.4Å; L84-V117 CarbonylContact O-C 3.59Å; L84-V117 WeakPolarHBondContact O-CA 3.46Å; Y86-V117 HydrophobicContact CD1-CG1 4.12Å; Y86-V117 HydrophobicContact CE1-CG1 4.06Å; V97-V117 HydrophobicContact CG1-CG1 3.87Å; V97-V117 HydrophobicContact CG1-CG2 4.48Å; I115-V117 HydrophobicContact CG2-CG2 4.47Å; V117-W138 HydrophobicContact CG1-CZ3 4.17Å; V117-W138 HydrophobicContact CG2-CH2 4.1Å; V117-W138 HydrophobicContact CG2-CZ3 3.99Å; V117-V144 HydrophobicContact CG2-CB 4.18Å; V117-V144 HydrophobicContact CG2-CG2 3.77Å; V117-R145 PolarHBondContact N-O 2.96Å; V117-L146 HydrophobicContact CB-CB 4.19Å; V117-L146 HydrophobicContact CB-CD1 4.34Å; V117-L146 HydrophobicContact CB-CG 4.15Å; V117-L146 HydrophobicContact CG1-CD1 3.87Å; V117-L146 HydrophobicContact CG1-CG 4.03Å; V117-L146 VanDerWaalsContact O-CA 3.3Å; V117-L146 WeakPolarHBondContact O-CA 3.34Å; V117-W147 PolarHBondContact O-N 2.98Å
118L98.7Very high92.2Very high0 Ų069.4 Ų69.40%034%0.337CS..EExtended strand (participates in β ladder)trans-120.2119.2178.1-57.3-178.5000110I20 V83 L84 V85 Y86 V116 W147 V149 P160 F161I20-L118 HydrophobicContact CD1-CD1 4.09Å; I20-L118 HydrophobicContact CG2-CD1 4.13Å; V83-L118 HydrophobicContact CG1-CD1 3.63Å; V83-L118 HydrophobicContact CG1-CG 3.95Å; L84-L118 PolarHBondContact O-N 2.96Å; V85-L118 WeakPolarHBondContact CA-O 3.34Å; V85-L118 HydrophobicContact CG1-CB 4.46Å; V85-L118 HydrophobicContact CG2-CB 4.43Å; V85-L118 HydrophobicContact CG2-CD1 4.49Å; Y86-L118 WeakPolarHBondContact CD1-O 3.31Å; Y86-L118 PolarHBondContact N-O 3.07Å; V116-L118 HydrophobicContact CG1-CD2 3.97Å; V116-L118 HydrophobicContact CG1-CG 4.37Å; L118-W147 CarbonylContact C-O 3.54Å; L118-W147 WeakPolarHBondContact CA-O 3.43Å; L118-W147 HydrophobicContact CD2-CB 4.22Å; L118-V149 HydrophobicContact CB-CG2 4.23Å; L118-V149 HydrophobicContact CD2-CG1 4.16Å; L118-P160 HydrophobicContact CD2-CB 3.68Å; L118-P160 HydrophobicContact CD2-CG 3.75Å; L118-F161 HydrophobicContact CD1-CE2 4.06Å
119G98.6Very high92.7Very high0 Ų073.3 Ų73.30%036%0.356CS..EExtended strand (participates in β ladder)trans-91.795.4166.500000109.9W147 E148 V149G119-W147 PolarHBondContact N-O 3.4Å; G119-E148 CarbonylContact O-C 3.39Å; G119-E148 VanDerWaalsContact O-CA 3.32Å; G119-E148 WeakPolarHBondContact O-CA 3.42Å; G119-V149 PolarHBondContact O-N 2.99Å
120N97.9Very high93.3Very high3 Ų367.4 Ų67.42%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-84.7167.5-173.6-168.428.3000112.8V15 I20 V85 Y86 S87 V88 V149V15-N120 PolarHBondContact O-ND2 2.7Å; I20-N120 HydrophobicContact CD1-CB 4.11Å; V85-N120 HydrophobicContact CG1-CB 4.28Å; Y86-N120 PolarHBondContact O-N 3.41Å; S87-N120 CarbonylContact C-O 3.55Å; S87-N120 WeakPolarHBondContact CA-O 3.36Å; V88-N120 WeakPolarHBondContact CG1-O 3.31Å; V88-N120 PolarHBondContact N-O 2.96Å; N120-V149 CarbonylContact C-O 3.53Å; N120-V149 WeakPolarHBondContact CA-O 3.44Å; N120-V149 HydrophobicContact CB-CG2 4.14Å; N120-V149 PolarHBondContact OD1-O 2.72Å
121K95.8Very high94.7Very high47 Ų4762.9 Ų62.920%0.20431%0.309CS..  trans68.937.1175.1-44.5-168.1-174.2-171.10114S14 V88 D123 L124 V149S14-K121 VanDerWaalsContact O-CE 3.23Å; S14-K121 WeakPolarHBondContact O-CE 3.37Å; S14-K121 PolarHBondContact O-NZ 2.96Å; V88-K121 WeakPolarHBondContact CG2-O 3.41Å; K121-D123 WeakPolarHBondContact CA-OD1 3.25Å; K121-D123 PolarHBondContact O-N 2.76Å; K121-D123 VanDerWaalsContact O-N 3.13Å; K121-L124 HydrophobicContact CB-CD1 3.93Å; K121-L124 HydrophobicContact CB-CG 4.13Å; K121-L124 HydrophobicContact CD-CD1 3.88Å; K121-L124 WeakPolarHBondContact O-CB 3.49Å; K121-L124 PolarHBondContact O-N 3.4Å; K121-V149 PolarHBondContact N-O 3.42Å; K121-V149 VanDerWaalsContact N-O 3.08Å
122I96.3Very high95.6Very high53 Ų5357.5 Ų57.527%0.27229%0.292SS..THydrogen-bonded Turntrans-62-20.1-179.465.3167.8000113.3V88 L124 E148 V149 T150V88-I122 HydrophobicContact CG1-CG2 4.05Å; I122-L124 PolarHBondContact O-N 3.13Å; I122-E148 HydrophobicContact CG2-CB 3.62Å; I122-E148 HydrophobicContact CG2-CG 4.31Å; I122-V149 WeakPolarHBondContact CG2-O 3.42Å; I122-V149 PolarHBondContact N-O 3.41Å; I122-T150 HydrophobicContact CD1-CG2 4.18Å; I122-T150 HydrophobicContact CG1-CG2 3.89Å
123D93.3Very high96.5Very high87 Ų8753.1 Ų53.147%0.46527%0.272SS..THydrogen-bonded Turntrans-62.3-26.7170.851.8-73.9000112.7K121 S125 T150K121-D123 WeakPolarHBondContact CA-OD1 3.25Å; K121-D123 PolarHBondContact O-N 2.76Å; K121-D123 VanDerWaalsContact O-N 3.13Å; D123-S125 PolarHBondContact O-N 2.8Å; D123-T150 VanDerWaalsContact OD1-CB 3.26Å; D123-T150 WeakPolarHBondContact OD1-CB 3.43Å; D123-T150 PolarHBondContact OD1-OG1 2.92Å
124L94.1Very high96.8Very high47 Ų4755.4 Ų55.425%0.24629%0.285CS..  trans-82.344.9175.6-55.8-176.8000112.4N89 K121 I122 E126 Q127 R128N89-L124 HydrophobicContact CB-CB 4.39Å; N89-L124 HydrophobicContact CB-CD1 4.43Å; N89-L124 WeakPolarHBondContact ND2-CD1 3.35Å; K121-L124 HydrophobicContact CB-CD1 3.93Å; K121-L124 HydrophobicContact CB-CG 4.13Å; K121-L124 HydrophobicContact CD-CD1 3.88Å; K121-L124 WeakPolarHBondContact O-CB 3.49Å; K121-L124 PolarHBondContact O-N 3.4Å; I122-L124 PolarHBondContact O-N 3.13Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 3.03Å; L124-Q127 HydrophobicContact CB-CB 4.42Å; L124-Q127 CarbonylContact O-C 3.58Å; L124-Q127 PolarHBondContact O-N 2.65Å; L124-R128 PolarHBondContact O-N 3.32Å
125S93.1Very high97Very high79 Ų7954.9 Ų54.955%0.55228%0.281SS*.G310 helixtrans-57.5-36.7-175.160.20000113.8D123 Q127 R128D123-S125 PolarHBondContact O-N 2.8Å; S125-Q127 VanDerWaalsContact C-N 3.26Å; S125-Q127 PolarHBondContact O-N 2.65Å; S125-R128 VanDerWaalsContact O-CB 3.29Å; S125-R128 WeakPolarHBondContact O-CB 3.01Å; S125-R128 PolarHBondContact O-N 3.08Å
126E96.1Very high97.1Very high193 Ų19358.2 Ų58.290%0.90230%0.297SS*.G310 helixtrans-69.9-21.5177.6-61.5-174.9167.600113.5L124L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 3.03Å
127Q96.8Very high97.1Very high115 Ų11563.5 Ų63.554%0.53732%0.321SS..G310 helixtrans-103.18.3179.1-58.4175.620.400111.9N89 L124 S125 Q129N89-Q127 VanDerWaalsContact CA-O 3.26Å; N89-Q127 WeakPolarHBondContact CA-O 3.5Å; N89-Q127 HydrophobicContact CB-CB 3.94Å; N89-Q127 VanDerWaalsContact CB-O 3.26Å; N89-Q127 WeakPolarHBondContact CB-O 3.24Å; L124-Q127 HydrophobicContact CB-CB 4.42Å; L124-Q127 CarbonylContact O-C 3.58Å; L124-Q127 PolarHBondContact O-N 2.65Å; S125-Q127 VanDerWaalsContact C-N 3.26Å; S125-Q127 PolarHBondContact O-N 2.65Å; Q127-Q129 PolarHBondContact O-N 3.5Å
128R98.2Very high97.1Very high79 Ų7964.5 Ų64.530%0.29833%0.325SS..  trans-60128.1-176.7178.3178.5-75.5-93.38.7110.8V88 L124 S125 V130 E148V88-R128 WeakPolarHBondContact O-CA 3.37Å; L124-R128 PolarHBondContact O-N 3.32Å; S125-R128 VanDerWaalsContact O-CB 3.29Å; S125-R128 WeakPolarHBondContact O-CB 3.01Å; S125-R128 PolarHBondContact O-N 3.08Å; R128-V130 WeakPolarHBondContact CD-O 3.32Å; R128-V130 VanDerWaalsContact CG-O 3.24Å; R128-V130 WeakPolarHBondContact CG-O 3.34Å; R128-V130 PolarHBondContact NH1-O 3.42Å; R128-E148 IonicContact CZ-OE1 3.59Å; R128-E148 IonicContact CZ-OE2 3.73Å; R128-E148 IonicContact NH1-OE1 3.03Å; R128-E148 PolarHBondContact NH1-OE1 2.88Å; R128-E148 IonicContact NH1-OE2 3.53Å; R128-E148 IonicContact NH2-OE1 2.8Å; R128-E148 PolarHBondContact NH2-OE1 2.83Å; R128-E148 IonicContact NH2-OE2 2.8Å; R128-E148 PolarHBondContact NH2-OE2 3.38Å
129Q98.3Very high97.1Very high118 Ų11864.6 Ų64.655%0.55133%0.325SS*.  trans-115-19.3175.3-61.5-176.5-6.100112.4V88 N89 L91 Q127V88-Q129 PolarHBondContact O-N 3Å; N89-Q129 PolarHBondContact O-NE2 2.84Å; N89-Q129 PolarHBondContact O-OE1 2.8Å; L91-Q129 HydrophobicContact CB-CB 4.14Å; L91-Q129 VanDerWaalsContact N-OE1 3.08Å; Q127-Q129 PolarHBondContact O-N 3.5Å
130V98.2Very high97Very high4 Ų472.9 Ų72.92%0.02436%0.361CS..SBendtrans-102.8115178.1-174.90000109.2Y86 V88 L91 F94 R128 A132 A135Y86-V130 HydrophobicContact CD2-CG2 4.19Å; Y86-V130 HydrophobicContact CE2-CB 4.04Å; Y86-V130 HydrophobicContact CE2-CG1 3.81Å; Y86-V130 HydrophobicContact CE2-CG2 4.09Å; V88-V130 PolarHBondContact O-N 3.35Å; L91-V130 HydrophobicContact CD1-CG2 4.29Å; F94-V130 HydrophobicContact CB-CG1 4.22Å; F94-V130 HydrophobicContact CB-CG2 3.71Å; F94-V130 HydrophobicContact CD1-CG1 4.23Å; F94-V130 HydrophobicContact CD2-CG1 4.1Å; F94-V130 HydrophobicContact CG-CG1 3.91Å; F94-V130 HydrophobicContact CG-CG2 4.31Å; R128-V130 WeakPolarHBondContact CD-O 3.32Å; R128-V130 VanDerWaalsContact CG-O 3.24Å; R128-V130 WeakPolarHBondContact CG-O 3.34Å; R128-V130 PolarHBondContact NH1-O 3.42Å; V130-A132 PolarHBondContact O-N 2.99Å; V130-A135 HydrophobicContact CG1-CB 3.99Å
131D97.8Very high97Very high90 Ų9076.7 Ų76.748%0.48139%0.389SS..  trans-65.9128.8173.6-178.6-84.3000110.5E133 V134 A135D131-E133 VanDerWaalsContact C-N 3.34Å; D131-E133 PolarHBondContact O-N 3.33Å; D131-E133 WeakPolarHBondContact OD1-CA 3.48Å; D131-E133 WeakPolarHBondContact OD1-CB 3.24Å; D131-E133 PolarHBondContact OD1-N 3.49Å; D131-V134 HydrophobicContact CB-CB 4.05Å; D131-V134 HydrophobicContact CB-CG2 3.87Å; D131-V134 PolarHBondContact O-N 3.03Å; D131-V134 PolarHBondContact OD1-N 2.84Å; D131-A135 PolarHBondContact O-N 3.34Å
132A97.6Very high97Very high35 Ų3576.7 Ų76.729%0.28939%0.389SS..Hα-helixtrans-66-36.6-174.200000112.2V130 A135 Q136V130-A132 PolarHBondContact O-N 2.99Å; A132-A135 PolarHBondContact O-N 3.1Å; A132-Q136 WeakPolarHBondContact O-CB 3.4Å; A132-Q136 VanDerWaalsContact O-CG 3.23Å; A132-Q136 WeakPolarHBondContact O-CG 3.41Å; A132-Q136 PolarHBondContact O-N 3.28Å
133E97.7Very high96.9Very high114 Ų11483.2 Ų83.253%0.53342%0.415SS..Hα-helixtrans-70.7-42.9179.5-179.859.3-153.700110.3D131 A135 Q136 Q137D131-E133 VanDerWaalsContact C-N 3.34Å; D131-E133 PolarHBondContact O-N 3.33Å; D131-E133 WeakPolarHBondContact OD1-CA 3.48Å; D131-E133 WeakPolarHBondContact OD1-CB 3.24Å; D131-E133 PolarHBondContact OD1-N 3.49Å; E133-A135 VanDerWaalsContact C-N 3.34Å; E133-A135 PolarHBondContact O-N 2.88Å; E133-Q136 PolarHBondContact O-N 3.28Å; E133-Q137 HydrophobicContact CG-CG 4.5Å; E133-Q137 WeakPolarHBondContact O-CB 3.49Å; E133-Q137 VanDerWaalsContact O-CG 3.24Å; E133-Q137 WeakPolarHBondContact O-CG 3.4Å; E133-Q137 PolarHBondContact O-N 3.04Å; E133-Q137 WeakPolarHBondContact OE1-CG 3.41Å; E133-Q137 PolarHBondContact OE1-NE2 2.94Å
134V97.5Very high97.1Very high80 Ų8079.7 Ų79.749%0.48540%0.397SS..Hα-helixtrans-58.5-46.4173.9174.90000111.1D131 Q136 Q137 W138D131-V134 HydrophobicContact CB-CB 4.05Å; D131-V134 HydrophobicContact CB-CG2 3.87Å; D131-V134 PolarHBondContact O-N 3.03Å; D131-V134 PolarHBondContact OD1-N 2.84Å; V134-Q136 PolarHBondContact O-N 2.94Å; V134-Q137 PolarHBondContact O-N 3.27Å; V134-W138 PolarHBondContact O-N 3.36Å
135A98.4Very high97.2Very high0 Ų085.1 Ų85.10%041%0.414CS..Hα-helixtrans-63.7-41.3178.700000112.5F94 V130 D131 A132 E133 W138 A139 L146F94-A135 HydrophobicContact CD2-CB 4.48Å; F94-A135 HydrophobicContact CE2-CB 3.77Å; F94-A135 HydrophobicContact CZ-CB 4.01Å; V130-A135 HydrophobicContact CG1-CB 3.99Å; D131-A135 PolarHBondContact O-N 3.34Å; A132-A135 PolarHBondContact O-N 3.1Å; E133-A135 VanDerWaalsContact C-N 3.34Å; E133-A135 PolarHBondContact O-N 2.88Å; A135-W138 PolarHBondContact O-N 2.89Å; A135-A139 WeakPolarHBondContact O-CB 3.16Å; A135-A139 PolarHBondContact O-N 3.45Å; A135-L146 HydrophobicContact CB-CD1 4.04Å
136Q98.3Very high97.5Very high78 Ų7881.9 Ų81.936%0.36439%0.391SS..Hα-helixtrans-67.4-39.5176.7-73.8-67.4-15.100112.5A132 E133 V134 A139 K140 L146A132-Q136 WeakPolarHBondContact O-CB 3.4Å; A132-Q136 VanDerWaalsContact O-CG 3.23Å; A132-Q136 WeakPolarHBondContact O-CG 3.41Å; A132-Q136 PolarHBondContact O-N 3.28Å; E133-Q136 PolarHBondContact O-N 3.28Å; V134-Q136 PolarHBondContact O-N 2.94Å; Q136-A139 PolarHBondContact O-N 3.3Å; Q136-K140 WeakPolarHBondContact O-CB 3.24Å; Q136-K140 PolarHBondContact O-N 3.16Å; Q136-L146 VanDerWaalsContact NE2-CD2 3.32Å; Q136-L146 PolarHBondContact NE2-O 2.91Å; Q136-L146 VanDerWaalsContact NE2-O 3.09Å
137Q98.4Very high97.6Very high111 Ų11174.6 Ų74.652%0.51936%0.355SS..Hα-helixtrans-62.6-44.6174.5-74.2176.610.900111.5E133 V134 K140 S141E133-Q137 HydrophobicContact CG-CG 4.5Å; E133-Q137 WeakPolarHBondContact O-CB 3.49Å; E133-Q137 VanDerWaalsContact O-CG 3.24Å; E133-Q137 WeakPolarHBondContact O-CG 3.4Å; E133-Q137 PolarHBondContact O-N 3.04Å; E133-Q137 WeakPolarHBondContact OE1-CG 3.41Å; E133-Q137 PolarHBondContact OE1-NE2 2.94Å; V134-Q137 PolarHBondContact O-N 3.27Å; Q137-K140 PolarHBondContact O-N 3.46Å; Q137-S141 PolarHBondContact O-N 3.38Å
138W98.4Very high97.6Very high22 Ų2271.6 Ų71.68%0.08334%0.341CS..Hα-helixtrans-57.4-50.6172.8169.584.4000111.2F94 V97 E98 K101 V117 V134 A135 K140 S141 E142 V144 L146F94-W138 HydrophobicContact CE2-CD2 4.33Å; F94-W138 AromaticContact CE2-CE3 3.87Å; F94-W138 HydrophobicContact CE2-CE3 3.87Å; F94-W138 HydrophobicContact CE2-CZ3 4.34Å; F94-W138 HydrophobicContact CZ-CB 4.02Å; F94-W138 AromaticContact CZ-CD2 3.9Å; F94-W138 HydrophobicContact CZ-CD2 3.9Å; F94-W138 AromaticContact CZ-CE3 3.88Å; F94-W138 HydrophobicContact CZ-CE3 3.88Å; F94-W138 AromaticContact CZ-CG 3.94Å; F94-W138 HydrophobicContact CZ-CG 3.94Å; V97-W138 HydrophobicContact CG1-CH2 3.64Å; V97-W138 HydrophobicContact CG1-CZ2 4.4Å; V97-W138 HydrophobicContact CG1-CZ3 4.13Å; E98-W138 HydrophobicContact CB-CZ2 4.33Å; E98-W138 HydrophobicContact CG-CD2 4.34Å; E98-W138 HydrophobicContact CG-CZ2 4.16Å; E98-W138 PolarHBondContact OE1-NE1 2.81Å; K101-W138 HydrophobicContact CB-CH2 4.49Å; K101-W138 HydrophobicContact CB-CZ2 4.06Å; K101-W138 HydrophobicContact CG-CZ2 4.32Å; V117-W138 HydrophobicContact CG1-CZ3 4.17Å; V117-W138 HydrophobicContact CG2-CH2 4.1Å; V117-W138 HydrophobicContact CG2-CZ3 3.99Å; V134-W138 PolarHBondContact O-N 3.36Å; A135-W138 PolarHBondContact O-N 2.89Å; W138-K140 VanDerWaalsContact C-N 3.28Å; W138-K140 PolarHBondContact O-N 3.01Å; W138-S141 PolarHBondContact O-N 2.86Å; W138-S141 PolarHBondContact O-OG 3.17Å; W138-E142 HydrophobicContact CD2-CG 4.33Å; W138-E142 HydrophobicContact CZ2-CB 4.38Å; W138-E142 HydrophobicContact CZ2-CG 3.85Å; W138-E142 PolarHBondContact O-N 3.4Å; W138-V144 HydrophobicContact CH2-CG2 4.17Å; W138-V144 HydrophobicContact CZ3-CG2 4.04Å; W138-L146 HydrophobicContact CE3-CD1 4.44Å; W138-L146 HydrophobicContact CZ3-CD1 4.44Å
139A98.2Very high97.6Very high1 Ų167.8 Ų67.81%0.00833%0.327CS..Hα-helixtrans-57.6-41.7-179.400000112.2A135 Q136 E142 K143 V144 L146A135-A139 WeakPolarHBondContact O-CB 3.16Å; A135-A139 PolarHBondContact O-N 3.45Å; Q136-A139 PolarHBondContact O-N 3.3Å; A139-E142 PolarHBondContact O-N 2.91Å; A139-K143 PolarHBondContact O-N 2.98Å; A139-V144 CarbonylContact C-O 3.59Å; A139-V144 HydrophobicContact CB-CG2 3.97Å; A139-V144 PolarHBondContact O-N 3.49Å; A139-V144 VanDerWaalsContact O-O 3.08Å; A139-L146 HydrophobicContact CB-CB 3.62Å; A139-L146 HydrophobicContact CB-CD1 4.1Å
140K97.5Very high97.4Very high174 Ų17462.8 Ų62.876%0.75730%0.304SS*.Hα-helixtrans-62.3-42.9174.8-175.6179177.8-178.10112.1Q136 Q137 W138 K143Q136-K140 WeakPolarHBondContact O-CB 3.24Å; Q136-K140 PolarHBondContact O-N 3.16Å; Q137-K140 PolarHBondContact O-N 3.46Å; W138-K140 VanDerWaalsContact C-N 3.28Å; W138-K140 PolarHBondContact O-N 3.01Å; K140-K143 PolarHBondContact O-N 3.42Å
141S97.2Very high97.1Very high84 Ų8463.2 Ų63.259%0.58731%0.307SS*.Hα-helixtrans-65.6-38.2178.574.20000112.6Q137 W138 K143Q137-S141 PolarHBondContact O-N 3.38Å; W138-S141 PolarHBondContact O-N 2.86Å; W138-S141 PolarHBondContact O-OG 3.17Å; S141-K143 VanDerWaalsContact C-N 3.26Å; S141-K143 PolarHBondContact O-N 3.45Å
142E95.9Very high96.7Very high46 Ų4662.4 Ų62.422%0.21531%0.305CS..THydrogen-bonded Turntrans-81.9-1.4178-72.9-63.3153.900113.6K101 W138 A139 V144K101-E142 WeakPolarHBondContact CE-O 3.46Å; K101-E142 HydrophobicContact CG-CB 4.3Å; K101-E142 HydrophobicContact CG-CG 4.23Å; K101-E142 WeakPolarHBondContact CG-OE2 3.49Å; K101-E142 PolarHBondContact NZ-O 3.49Å; K101-E142 IonicContact NZ-OE2 3.34Å; K101-E142 PolarHBondContact NZ-OE2 3.3Å; W138-E142 HydrophobicContact CD2-CG 4.33Å; W138-E142 HydrophobicContact CZ2-CB 4.38Å; W138-E142 HydrophobicContact CZ2-CG 3.85Å; W138-E142 PolarHBondContact O-N 3.4Å; A139-E142 PolarHBondContact O-N 2.91Å; E142-V144 HydrophobicContact CB-CG2 4.11Å; E142-V144 PolarHBondContact O-N 3.44Å
143K94.7Very high96.5Very high190 Ų19064 Ų6483%0.82631%0.309SS*.THydrogen-bonded Turntrans57.633.2-177.7-54.5177.5-177.2176.70113.5A139 K140 S141A139-K143 PolarHBondContact O-N 2.98Å; K140-K143 PolarHBondContact O-N 3.42Å; S141-K143 VanDerWaalsContact C-N 3.26Å; S141-K143 PolarHBondContact O-N 3.45Å
144V96.3Very high96.2Very high14 Ų1463.6 Ų63.69%0.08530%0.303CS..  trans-107.2160.3173.3-61.90000110K101 I115 V117 W138 A139 E142K101-V144 HydrophobicContact CD-CG1 4.11Å; I115-V144 HydrophobicContact CB-CG1 4Å; I115-V144 HydrophobicContact CG2-CG1 3.96Å; V117-V144 HydrophobicContact CG2-CB 4.18Å; V117-V144 HydrophobicContact CG2-CG2 3.77Å; W138-V144 HydrophobicContact CH2-CG2 4.17Å; W138-V144 HydrophobicContact CZ3-CG2 4.04Å; A139-V144 CarbonylContact C-O 3.59Å; A139-V144 HydrophobicContact CB-CG2 3.97Å; A139-V144 PolarHBondContact O-N 3.49Å; A139-V144 VanDerWaalsContact O-O 3.08Å; E142-V144 HydrophobicContact CB-CG2 4.11Å; E142-V144 PolarHBondContact O-N 3.44Å
145R97.1Very high95.9Very high160 Ų16067.7 Ų67.760%0.60431%0.314SS*.EExtended strand (participates in β ladder)trans-101.9134.6172.4-67.5-122.3-172.4-102.53.7109.3V117 W147 L163V117-R145 PolarHBondContact N-O 2.96Å; R145-W147 HydrophobicContact CB-CE3 4.24Å; R145-W147 HydrophobicContact CB-CH2 3.26Å; R145-W147 HydrophobicContact CB-CZ2 4.29Å; R145-W147 HydrophobicContact CB-CZ3 3.25Å; R145-W147 HydrophobicContact CG-CH2 4.05Å; R145-W147 HydrophobicContact CG-CZ3 4.47Å; R145-L163 HydrophobicContact CB-CD2 4.28Å; R145-L163 HydrophobicContact CG-CD2 4.02Å
146L98.3Very high95.6Very high11 Ų1169.3 Ų69.36%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-119.4128.3-178.6-172.8155.7000109.8Y86 V117 A135 Q136 W138 A139 E148Y86-L146 HydrophobicContact CE1-CD1 3.92Å; Y86-L146 HydrophobicContact CE1-CG 4.43Å; V117-L146 HydrophobicContact CB-CB 4.19Å; V117-L146 HydrophobicContact CB-CD1 4.34Å; V117-L146 HydrophobicContact CB-CG 4.15Å; V117-L146 HydrophobicContact CG1-CD1 3.87Å; V117-L146 HydrophobicContact CG1-CG 4.03Å; V117-L146 VanDerWaalsContact O-CA 3.3Å; V117-L146 WeakPolarHBondContact O-CA 3.34Å; A135-L146 HydrophobicContact CB-CD1 4.04Å; Q136-L146 VanDerWaalsContact NE2-CD2 3.32Å; Q136-L146 PolarHBondContact NE2-O 2.91Å; Q136-L146 VanDerWaalsContact NE2-O 3.09Å; W138-L146 HydrophobicContact CE3-CD1 4.44Å; W138-L146 HydrophobicContact CZ3-CD1 4.44Å; A139-L146 HydrophobicContact CB-CB 3.62Å; A139-L146 HydrophobicContact CB-CD1 4.1Å; L146-E148 HydrophobicContact CD2-CG 4.16Å
147W98.3Very high95.5Very high40 Ų4065.6 Ų65.615%0.15231%0.306CS..EExtended strand (participates in β ladder)trans-113.4136.6168-70.2-103.4000109.6V116 V117 L118 G119 R145 V149 E159 P160 L163V116-W147 HydrophobicContact CB-CZ3 4.48Å; V116-W147 HydrophobicContact CG1-CE3 3.94Å; V116-W147 HydrophobicContact CG1-CZ3 3.8Å; V116-W147 HydrophobicContact CG2-CZ3 4.13Å; V117-W147 PolarHBondContact O-N 2.98Å; L118-W147 CarbonylContact C-O 3.54Å; L118-W147 WeakPolarHBondContact CA-O 3.43Å; L118-W147 HydrophobicContact CD2-CB 4.22Å; G119-W147 PolarHBondContact N-O 3.4Å; R145-W147 HydrophobicContact CB-CE3 4.24Å; R145-W147 HydrophobicContact CB-CH2 3.26Å; R145-W147 HydrophobicContact CB-CZ2 4.29Å; R145-W147 HydrophobicContact CB-CZ3 3.25Å; R145-W147 HydrophobicContact CG-CH2 4.05Å; R145-W147 HydrophobicContact CG-CZ3 4.47Å; W147-V149 HydrophobicContact CB-CG1 3.93Å; W147-E159 HydrophobicContact CZ2-CG 4.45Å; W147-P160 HydrophobicContact CB-CG 3.97Å; W147-P160 HydrophobicContact CD2-CB 4.02Å; W147-P160 HydrophobicContact CD2-CG 3.71Å; W147-P160 HydrophobicContact CE3-CB 3.83Å; W147-P160 HydrophobicContact CE3-CG 4.02Å; W147-P160 HydrophobicContact CG-CB 4.47Å; W147-P160 HydrophobicContact CG-CG 3.67Å; W147-P160 HydrophobicContact CZ3-CB 4.24Å; W147-L163 HydrophobicContact CH2-CB 4.41Å; W147-L163 HydrophobicContact CH2-CD2 3.47Å; W147-L163 VanDerWaalsContact CH2-CD2 3.47Å; W147-L163 HydrophobicContact CZ2-CD2 4.22Å; W147-L163 HydrophobicContact CZ3-CD2 4.39Å
148E97.7Very high95.3Very high52 Ų5263.8 Ų63.824%0.24330%0.3CS..EExtended strand (participates in β ladder)trans-85.8127163.3-77.1-151.1159.900108.4G119 I122 R128 L146G119-E148 CarbonylContact O-C 3.39Å; G119-E148 VanDerWaalsContact O-CA 3.32Å; G119-E148 WeakPolarHBondContact O-CA 3.42Å; I122-E148 HydrophobicContact CG2-CB 3.62Å; I122-E148 HydrophobicContact CG2-CG 4.31Å; R128-E148 IonicContact CZ-OE1 3.59Å; R128-E148 IonicContact CZ-OE2 3.73Å; R128-E148 IonicContact NH1-OE1 3.03Å; R128-E148 PolarHBondContact NH1-OE1 2.88Å; R128-E148 IonicContact NH1-OE2 3.53Å; R128-E148 IonicContact NH2-OE1 2.8Å; R128-E148 PolarHBondContact NH2-OE1 2.83Å; R128-E148 IonicContact NH2-OE2 2.8Å; R128-E148 PolarHBondContact NH2-OE2 3.38Å; L146-E148 HydrophobicContact CD2-CG 4.16Å
149V97.1Very high95.1Very high0 Ų068.6 Ų68.60%032%0.323CS..  trans-134.8157.7-171-57.20000111.6I20 L118 G119 N120 K121 I122 W147 L157I20-V149 HydrophobicContact CD1-CG2 4.46Å; L118-V149 HydrophobicContact CB-CG2 4.23Å; L118-V149 HydrophobicContact CD2-CG1 4.16Å; G119-V149 PolarHBondContact O-N 2.99Å; N120-V149 CarbonylContact C-O 3.53Å; N120-V149 WeakPolarHBondContact CA-O 3.44Å; N120-V149 HydrophobicContact CB-CG2 4.14Å; N120-V149 PolarHBondContact OD1-O 2.72Å; K121-V149 PolarHBondContact N-O 3.42Å; K121-V149 VanDerWaalsContact N-O 3.08Å; I122-V149 WeakPolarHBondContact CG2-O 3.42Å; I122-V149 PolarHBondContact N-O 3.41Å; W147-V149 HydrophobicContact CB-CG1 3.93Å; V149-L157 HydrophobicContact CB-CD2 3.79Å; V149-L157 HydrophobicContact CG1-CD2 4.11Å; V149-L157 HydrophobicContact CG2-CD2 3.91Å
150T94.4Very high95Very high13 Ų1368.6 Ų68.68%0.0832%0.323CS..  trans-130.6138.6162.6175.80000108.3I122 D123 T152 D153 T156I122-T150 HydrophobicContact CD1-CG2 4.18Å; I122-T150 HydrophobicContact CG1-CG2 3.89Å; D123-T150 VanDerWaalsContact OD1-CB 3.26Å; D123-T150 WeakPolarHBondContact OD1-CB 3.43Å; D123-T150 PolarHBondContact OD1-OG1 2.92Å; T150-T152 WeakPolarHBondContact CG2-OG1 3.39Å; T150-T152 PolarHBondContact O-N 3.09Å; T150-T152 VanDerWaalsContact O-N 3.15Å; T150-T152 PolarHBondContact OG1-N 3.4Å; T150-T152 PolarHBondContact OG1-OG1 3Å; T150-D153 HydrophobicContact CG2-CB 3.81Å; T150-D153 CarbonylContact O-C 3.59Å; T150-D153 PolarHBondContact O-N 3.03Å; T150-T156 PolarHBondContact O-OG1 3.27Å
151V92.8Very high95Very high12 Ų1260.4 Ų60.47%0.07329%0.287CS..THydrogen-bonded Turntrans-58.7-28.4178.3-175.10000111A19 I20 Q23 H29 D153A19-V151 HydrophobicContact CB-CG1 4.15Å; A19-V151 HydrophobicContact CB-CG2 4.01Å; A19-V151 WeakPolarHBondContact O-CG1 3.23Å; I20-V151 HydrophobicContact CG1-CG2 3.9Å; Q23-V151 HydrophobicContact CB-CG1 3.58Å; Q23-V151 HydrophobicContact CG-CG1 3.9Å; Q23-V151 WeakPolarHBondContact CG-O 3.5Å; Q23-V151 PolarHBondContact NE2-O 2.82Å; H29-V151 HydrophobicContact CB-CG1 4Å; H29-V151 WeakPolarHBondContact CD2-CG1 3.39Å; V151-D153 VanDerWaalsContact C-N 3.25Å; V151-D153 PolarHBondContact O-N 2.93Å
152T89.6Confident94.9Very high74 Ų7458 Ų5845%0.45427%0.269SS..THydrogen-bonded Turntrans-67.6-25.8178.561.50000113.3I31 T150I31-T152 HydrophobicContact CD1-CG2 3.47Å; I31-T152 VanDerWaalsContact CD1-CG2 3.47Å; I31-T152 HydrophobicContact CG1-CG2 3.55Å; T150-T152 WeakPolarHBondContact CG2-OG1 3.39Å; T150-T152 PolarHBondContact O-N 3.09Å; T150-T152 VanDerWaalsContact O-N 3.15Å; T150-T152 PolarHBondContact OG1-N 3.4Å; T150-T152 PolarHBondContact OG1-OG1 3Å
153D91.6Very high94.8Very high68 Ų6858.2 Ų58.236%0.36427%0.271SS..  trans-106.486.3174.9-171.5-5.3000110.6T150 V151 K155 T156T150-D153 HydrophobicContact CG2-CB 3.81Å; T150-D153 CarbonylContact O-C 3.59Å; T150-D153 PolarHBondContact O-N 3.03Å; V151-D153 VanDerWaalsContact C-N 3.25Å; V151-D153 PolarHBondContact O-N 2.93Å; D153-K155 PolarHBondContact O-N 3.08Å; D153-K155 WeakPolarHBondContact OD1-CB 3.16Å; D153-K155 PolarHBondContact OD1-N 3.28Å; D153-K155 VanDerWaalsContact OD1-N 3.08Å; D153-T156 HydrophobicContact CB-CG2 3.96Å; D153-T156 WeakPolarHBondContact O-CB 3.49Å; D153-T156 PolarHBondContact O-N 3.43Å; D153-T156 PolarHBondContact O-OG1 3.25Å; D153-T156 WeakPolarHBondContact OD2-CG2 3.46Å
154R92.2Very high94.8Very high106 Ų10649.1 Ų49.140%0.423%0.232SC..Hα-helixtrans-52.2-28.8178.4-176.5174179.3-98.3-3.5113.1Q23 L24 T156 L157Q23-R154 HydrophobicContact CG-CB 4.14Å; Q23-R154 HydrophobicContact CG-CG 4.33Å; Q23-R154 WeakPolarHBondContact O-CD 3.46Å; Q23-R154 PolarHBondContact O-NE 3.48Å; Q23-R154 VanDerWaalsContact O-NE 3.16Å; L24-R154 PolarHBondContact O-NE 3.22Å; L24-R154 PolarHBondContact O-NH2 3.06Å; R154-T156 VanDerWaalsContact C-N 3.27Å; R154-T156 PolarHBondContact O-N 3.09Å; R154-L157 WeakPolarHBondContact O-CB 3.38Å; R154-L157 PolarHBondContact O-N 3.31Å; R154-L157 VanDerWaalsContact O-N 3.13Å
155K91.5Very high94.8Very high166 Ų16648.5 Ų48.572%0.72223%0.228SC*.Hα-helixtrans-64.4-35.6-178.4-62.4177.9-178.41750111.7D153 L157 I158D153-K155 PolarHBondContact O-N 3.08Å; D153-K155 WeakPolarHBondContact OD1-CB 3.16Å; D153-K155 PolarHBondContact OD1-N 3.28Å; D153-K155 VanDerWaalsContact OD1-N 3.08Å; K155-L157 PolarHBondContact O-N 3.38Å; K155-I158 PolarHBondContact O-N 3.47Å
156T92.8Very high94.6Very high34 Ų3441.5 Ų41.521%0.20920%0.203CC..Hα-helixtrans-63.3-22.6177.567.70000112.7T150 D153 R154 P160T150-T156 PolarHBondContact O-OG1 3.27Å; D153-T156 HydrophobicContact CB-CG2 3.96Å; D153-T156 WeakPolarHBondContact O-CB 3.49Å; D153-T156 PolarHBondContact O-N 3.43Å; D153-T156 PolarHBondContact O-OG1 3.25Å; D153-T156 WeakPolarHBondContact OD2-CG2 3.46Å; R154-T156 VanDerWaalsContact C-N 3.27Å; R154-T156 PolarHBondContact O-N 3.09Å; T156-P160 WeakPolarHBondContact O-CD 3.48Å; T156-P160 WeakPolarHBondContact O-CG 3.46Å
157L95.1Very high94.3Very high0 Ų045.6 Ų45.60%022%0.221CC..Hα-helixtrans-85.5-19.3-180-50.9-179.6000113.1I20 Q23 L24 V149 R154 K155 F161I20-L157 HydrophobicContact CG1-CD2 4.32Å; I20-L157 HydrophobicContact CG2-CD1 4.35Å; I20-L157 HydrophobicContact CG2-CD2 4.08Å; Q23-L157 HydrophobicContact CB-CD1 4.01Å; Q23-L157 HydrophobicContact CG-CD1 3.87Å; L24-L157 HydrophobicContact CD1-CB 3.97Å; V149-L157 HydrophobicContact CB-CD2 3.79Å; V149-L157 HydrophobicContact CG1-CD2 4.11Å; V149-L157 HydrophobicContact CG2-CD2 3.91Å; R154-L157 WeakPolarHBondContact O-CB 3.38Å; R154-L157 PolarHBondContact O-N 3.31Å; R154-L157 VanDerWaalsContact O-N 3.13Å; K155-L157 PolarHBondContact O-N 3.38Å; L157-F161 WeakPolarHBondContact O-CD2 3.29Å
158I94.1Very high94Very high73 Ų7344.8 Ų44.837%0.37422%0.219SC..Hα-helixtrans-73.9-48.8-172.2-63.4172.9000111.7L24 K155 F161 T162L24-I158 HydrophobicContact CD1-CG1 4.48Å; K155-I158 PolarHBondContact O-N 3.47Å; I158-F161 PolarHBondContact O-N 3.29Å; I158-T162 WeakPolarHBondContact O-CB 3.35Å; I158-T162 PolarHBondContact O-N 3.11Å; I158-T162 PolarHBondContact O-OG1 3.34Å
159E94.8Very high93.4Very high123 Ų12343.1 Ų43.158%0.57521%0.214SC*.Hα-helixtrans-61.4-45.4-175.4-175.5-176.7179.900113.4W147 F161 T162 L163W147-E159 HydrophobicContact CZ2-CG 4.45Å; E159-F161 VanDerWaalsContact C-N 3.33Å; E159-F161 PolarHBondContact O-N 3.48Å; E159-T162 PolarHBondContact O-N 2.72Å; E159-L163 PolarHBondContact O-N 2.88Å
160P96.6Very high92.1Very high0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-57.1-44.1178-20.227000113V116 L118 W147 T156 L163 L164V116-P160 HydrophobicContact CG1-CB 3.7Å; L118-P160 HydrophobicContact CD2-CB 3.68Å; L118-P160 HydrophobicContact CD2-CG 3.75Å; W147-P160 HydrophobicContact CB-CG 3.97Å; W147-P160 HydrophobicContact CD2-CB 4.02Å; W147-P160 HydrophobicContact CD2-CG 3.71Å; W147-P160 HydrophobicContact CE3-CB 3.83Å; W147-P160 HydrophobicContact CE3-CG 4.02Å; W147-P160 HydrophobicContact CG-CB 4.47Å; W147-P160 HydrophobicContact CG-CG 3.67Å; W147-P160 HydrophobicContact CZ3-CB 4.24Å; T156-P160 WeakPolarHBondContact O-CD 3.48Å; T156-P160 WeakPolarHBondContact O-CG 3.46Å; P160-L163 PolarHBondContact O-N 2.88Å; P160-L164 WeakPolarHBondContact O-CB 3.49Å; P160-L164 PolarHBondContact O-N 3.45Å
161F96.2Very high90.5Very high3 Ų355.2 Ų55.21%0.01328%0.278CS..Hα-helixtrans-75-31.3-179.4-75.7-100.2000112.4I20 L21 L24 L59 V83 L118 L157 I158 E159 L164 A165I20-F161 HydrophobicContact CG2-CE2 4.07Å; I20-F161 HydrophobicContact CG2-CZ 4.2Å; L21-F161 HydrophobicContact CD2-CE1 4.08Å; L21-F161 HydrophobicContact CD2-CZ 3.98Å; L24-F161 HydrophobicContact CD2-CB 4.12Å; L24-F161 HydrophobicContact CD2-CD1 3.53Å; L24-F161 HydrophobicContact CD2-CD2 3.62Å; L24-F161 HydrophobicContact CD2-CE1 3.71Å; L24-F161 HydrophobicContact CD2-CE2 3.77Å; L24-F161 HydrophobicContact CD2-CG 3.47Å; L24-F161 VanDerWaalsContact CD2-CG 3.47Å; L24-F161 HydrophobicContact CD2-CZ 3.81Å; L59-F161 HydrophobicContact CD1-CD1 4.43Å; L59-F161 HydrophobicContact CD1-CE1 4.03Å; L59-F161 HydrophobicContact CD2-CD1 4.32Å; L59-F161 HydrophobicContact CD2-CE1 4.06Å; V83-F161 HydrophobicContact CG1-CZ 4.49Å; V83-F161 HydrophobicContact CG2-CE1 4.18Å; V83-F161 HydrophobicContact CG2-CZ 4.31Å; L118-F161 HydrophobicContact CD1-CE2 4.06Å; L157-F161 WeakPolarHBondContact O-CD2 3.29Å; I158-F161 PolarHBondContact O-N 3.29Å; E159-F161 VanDerWaalsContact C-N 3.33Å; E159-F161 PolarHBondContact O-N 3.48Å; F161-L164 PolarHBondContact O-N 2.87Å; F161-A165 WeakPolarHBondContact O-CB 3.26Å; F161-A165 PolarHBondContact O-N 3.47Å
162T95.2Very high88.3Confident32 Ų3263.2 Ų63.220%0.19632%0.315CS..Hα-helixtrans-64.5-44.7172-56.70000111I158 E159 L164 A165 S166I158-T162 WeakPolarHBondContact O-CB 3.35Å; I158-T162 PolarHBondContact O-N 3.11Å; I158-T162 PolarHBondContact O-OG1 3.34Å; E159-T162 PolarHBondContact O-N 2.72Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 3.49Å; T162-A165 PolarHBondContact O-N 2.8Å; T162-S166 WeakPolarHBondContact O-CB 3.49Å; T162-S166 PolarHBondContact O-N 3.3Å
163L94.7Very high86.2Confident51 Ų5164.3 Ų64.327%0.26733%0.325SS..Hα-helixtrans-62.5-43.6174.5-176.672.7000111R145 W147 E159 P160 A165 S166 K167R145-L163 HydrophobicContact CB-CD2 4.28Å; R145-L163 HydrophobicContact CG-CD2 4.02Å; W147-L163 HydrophobicContact CH2-CB 4.41Å; W147-L163 HydrophobicContact CH2-CD2 3.47Å; W147-L163 VanDerWaalsContact CH2-CD2 3.47Å; W147-L163 HydrophobicContact CZ2-CD2 4.22Å; W147-L163 HydrophobicContact CZ3-CD2 4.39Å; E159-L163 PolarHBondContact O-N 2.88Å; P160-L163 PolarHBondContact O-N 2.88Å; L163-A165 PolarHBondContact O-N 3.01Å; L163-S166 PolarHBondContact O-N 3.27Å; L163-K167 WeakPolarHBondContact O-CG 3.24Å; L163-K167 PolarHBondContact O-N 2.96Å
164L95.2Very high83.7Confident0 Ų070.5 Ų70.50%035%0.349CS..Hα-helixtrans-59.3-47.6178.5-173.365.9000111V7 V83 A114 V116 P160 F161 T162 S166 K167 L168V7-L164 HydrophobicContact CB-CD2 4.36Å; V7-L164 HydrophobicContact CG1-CD2 3.58Å; V7-L164 HydrophobicContact CG2-CD2 3.83Å; V7-L164 HydrophobicContact CG2-CG 4.46Å; V83-L164 HydrophobicContact CG2-CD2 3.62Å; A114-L164 HydrophobicContact CB-CD1 3.75Å; V116-L164 HydrophobicContact CG2-CB 4.04Å; V116-L164 HydrophobicContact CG2-CD1 4.12Å; P160-L164 WeakPolarHBondContact O-CB 3.49Å; P160-L164 PolarHBondContact O-N 3.45Å; F161-L164 PolarHBondContact O-N 2.87Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 3.49Å; L164-S166 VanDerWaalsContact C-N 3.35Å; L164-S166 PolarHBondContact O-N 3.38Å; L164-K167 PolarHBondContact O-N 3.01Å; L164-L168 HydrophobicContact CD1-CD1 4.21Å; L164-L168 HydrophobicContact CG-CD1 3.9Å; L164-L168 WeakPolarHBondContact O-CB 3.33Å; L164-L168 VanDerWaalsContact O-CG 3.24Å; L164-L168 WeakPolarHBondContact O-CG 3.18Å; L164-L168 PolarHBondContact O-N 3.32Å
165A94.5Very high81.3Confident0 Ų069.9 Ų69.90%036%0.361CS..Hα-helixtrans-59.1-43.7175.100000112.1V47 T49 E55 L57 F161 T162 L163 K167 L168 S169V47-A165 HydrophobicContact CB-CB 3.88Å; V47-A165 HydrophobicContact CG1-CB 3.68Å; T49-A165 HydrophobicContact CG2-CB 4.02Å; E55-A165 HydrophobicContact CB-CB 4.29Å; L57-A165 HydrophobicContact CD1-CB 4.31Å; L57-A165 HydrophobicContact CD2-CB 4.4Å; F161-A165 WeakPolarHBondContact O-CB 3.26Å; F161-A165 PolarHBondContact O-N 3.47Å; T162-A165 PolarHBondContact O-N 2.8Å; L163-A165 PolarHBondContact O-N 3.01Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 3.27Å; A165-L168 PolarHBondContact O-N 2.76Å; A165-S169 WeakPolarHBondContact O-CB 3.49Å; A165-S169 PolarHBondContact O-N 2.82Å
166S93.4Very high79.1Confident13 Ų1366.5 Ų66.59%0.09136%0.358CS..Hα-helixtrans-63.4-37.4178.2-171.10000112.6D50 T162 L163 L164D50-S166 VanDerWaalsContact OD1-CB 3.31Å; D50-S166 WeakPolarHBondContact OD1-CB 3.26Å; D50-S166 PolarHBondContact OD1-OG 2.93Å; T162-S166 WeakPolarHBondContact O-CB 3.49Å; T162-S166 PolarHBondContact O-N 3.3Å; L163-S166 PolarHBondContact O-N 3.27Å; L164-S166 VanDerWaalsContact C-N 3.35Å; L164-S166 PolarHBondContact O-N 3.38Å
167K92.6Very high77.4Confident98 Ų9873.6 Ų73.643%0.42639%0.387SS..Hα-helixtrans-69.6-34.2174.3-74.5-175176.1-174.50113.1A114 L163 L164 A165A114-K167 HydrophobicContact CB-CB 3.85Å; A114-K167 HydrophobicContact CB-CD 4.28Å; L163-K167 WeakPolarHBondContact O-CG 3.24Å; L163-K167 PolarHBondContact O-N 2.96Å; L164-K167 PolarHBondContact O-N 3.01Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 3.27Å
168L91.5Very high75.6Confident22 Ų2279.2 Ų79.212%0.11542%0.423CS..Hα-helixtrans-82.9-23.6-179.5-68.3173.4000112.8C5 V7 L57 D80 A114 L164 A165 Q170C5-L168 HydrophobicContact CB-CB 4.14Å; C5-L168 HydrophobicContact CB-CD1 3.95Å; V7-L168 HydrophobicContact CG2-CD1 3.61Å; L57-L168 HydrophobicContact CD2-CD1 4.16Å; D80-L168 HydrophobicContact CB-CD2 3.9Å; D80-L168 VanDerWaalsContact O-CD2 3.23Å; D80-L168 WeakPolarHBondContact O-CD2 2.81Å; A114-L168 HydrophobicContact CB-CD2 3.61Å; A114-L168 HydrophobicContact CB-CG 3.9Å; L164-L168 HydrophobicContact CD1-CD1 4.21Å; L164-L168 HydrophobicContact CG-CD1 3.9Å; L164-L168 WeakPolarHBondContact O-CB 3.33Å; L164-L168 VanDerWaalsContact O-CG 3.24Å; L164-L168 WeakPolarHBondContact O-CG 3.18Å; L164-L168 PolarHBondContact O-N 3.32Å; A165-L168 PolarHBondContact O-N 2.76Å; L168-Q170 PolarHBondContact O-N 3.02Å
169S86.2Confident74Confident18 Ų1883.4 Ų83.413%0.12645%0.445CS..  trans-61.5106.7174.4-1710000109.6E55 A165E55-S169 WeakPolarHBondContact OE1-CB 3.44Å; E55-S169 PolarHBondContact OE1-OG 3Å; A165-S169 WeakPolarHBondContact O-CB 3.49Å; A165-S169 PolarHBondContact O-N 2.82Å
170Q70.2Confident72.3Confident162 Ų16283.2 Ų83.276%0.75746%0.455SS*.  trans-67.9138.8168.6-66.7-174.21700107.8L168 Q172L168-Q170 PolarHBondContact O-N 3.02Å; Q170-Q172 PolarHBondContact O-N 3.28Å
171P58.9Low70.3Confident105 Ų10586.6 Ų86.668%0.68249%0.49SS*.  trans-50.1126.8163-16.527.5000106.3S173P171-S173 PolarHBondContact O-N 3.45Å
172Q48.3Very low68.2Low179 Ų17998 Ų9884%0.83653%0.533SS*.  trans-54.497172.3-72.3-173.4-800106.6Q170 K174Q170-Q172 PolarHBondContact O-N 3.28Å; Q172-K174 VanDerWaalsContact C-N 3.34Å; Q172-K174 PolarHBondContact O-N 3.44Å
173S43.9Very low66.4Low97 Ų97106 Ų10668%0.67857%0.565SS**  trans-53.5112.4163.3165.50000102.9P171 S175P171-S173 PolarHBondContact O-N 3.45Å; S173-S175 PolarHBondContact O-N 3Å
174K39.4Very low64.4Low198 Ų198111 Ų11186%0.86159%0.592SS**  trans-60.781.1165.7-70.5-176.2179.61790105.3Q172 S176Q172-K174 VanDerWaalsContact C-N 3.34Å; Q172-K174 PolarHBondContact O-N 3.44Å; K174-S176 PolarHBondContact O-N 3.3Å
175S43.4Very low62.5Low94 Ų94120.5 Ų120.566%0.65763%0.633SS**  trans-70.872.316154.20000105.9S173 F177S173-S175 PolarHBondContact O-N 3Å; S175-F177 PolarHBondContact O-N 2.68Å; S175-F177 VanDerWaalsContact O-N 3.1Å
176S44.6Very low60.3Low95 Ų95124.1 Ų124.166%0.66467%0.67SS**  trans-64.2109.315471.30000104.5K174 P178K174-S176 PolarHBondContact O-N 3.3Å; S176-P178 VanDerWaalsContact O-CD 3.29Å; S176-P178 WeakPolarHBondContact O-CD 3.3Å; S176-P178 VanDerWaalsContact O-N 3.14Å
177F57.6Low58.4Low183 Ų183130.6 Ų130.680%0.80370%0.704SS**  trans-51.6121.8154.4-76.6-83.8000106.1S175 L179S175-F177 PolarHBondContact O-N 2.68Å; S175-F177 VanDerWaalsContact O-N 3.1Å; F177-L179 PolarHBondContact O-N 3.02Å
178P57.3Low56.5Low117 Ų117131 Ų13176%0.7672%0.719SS**  trans-60110.2169.4-12.525.3000105.9S176 P180S176-P178 VanDerWaalsContact O-CD 3.29Å; S176-P178 WeakPolarHBondContact O-CD 3.3Å; S176-P178 VanDerWaalsContact O-N 3.14Å; P178-P180 WeakPolarHBondContact O-CD 3.49Å
179L59.2Low54.5Low161 Ų161135.6 Ų135.684%0.84375%0.753SS**  trans-58.6127.2168.7-77.1166.9000106.5F177 G181F177-L179 PolarHBondContact O-N 3.02Å; L179-G181 PolarHBondContact O-N 3.3Å
180P59.1Low52.8Low120 Ų120139.9 Ų139.978%0.77978%0.783SS**  trans-56.5116.3174.8-20.830.7000108.5P178 R182P178-P180 WeakPolarHBondContact O-CD 3.49Å; P180-R182 PolarHBondContact O-N 3.4Å
181G54.7Low52Low71 Ų71141.2 Ų141.273%0.73279%0.789SS**  trans-53.3116175.900000109.4L179 K183L179-G181 PolarHBondContact O-N 3.3Å; G181-K183 VanDerWaalsContact C-N 3.34Å; G181-K183 PolarHBondContact O-N 2.91Å
182R53.3Low51.4Low243 Ų243147.6 Ų147.692%0.91782%0.818SS**  trans-65.793.5178-147.5176.7179.2176.5-1.8107.5P180 N184P180-R182 PolarHBondContact O-N 3.4Å; R182-N184 PolarHBondContact O-N 3.02Å
183K56.5Low51.6Low200 Ų200146.1 Ų146.187%0.8782%0.817SS**  trans-63.4104.1167.6-88.1-173.9176.4178.50107.4G181 K185G181-K183 VanDerWaalsContact C-N 3.34Å; G181-K183 PolarHBondContact O-N 2.91Å; K183-K185 VanDerWaalsContact C-N 3.34Å; K183-K185 PolarHBondContact O-N 3.37Å
184N53.7Low52Low155 Ų155148.6 Ų148.683%0.82982%0.824SS**  trans-7093.1171.2-136.719.8000107.7R182 G186R182-N184 PolarHBondContact O-N 3.02Å; N184-G186 VanDerWaalsContact C-N 3.31Å; N184-G186 PolarHBondContact O-N 3.1Å; N184-G186 VanDerWaalsContact O-N 3.16Å
185K55.5Low52.7Low200 Ų200145.9 Ų145.987%0.8782%0.822SS**  trans-76.590.3162.5-109.7-179.3173.8-178.80106.3K183 N187K183-K185 VanDerWaalsContact C-N 3.34Å; K183-K185 PolarHBondContact O-N 3.37Å; K185-N187 PolarHBondContact O-N 3.14Å; K185-N187 VanDerWaalsContact O-N 3.14Å
186G48.1Very low53.2Low75 Ų75148.9 Ų148.977%0.77383%0.832SS**  trans-62.5109.2165.300000108.1N184N184-G186 VanDerWaalsContact C-N 3.31Å; N184-G186 PolarHBondContact O-N 3.1Å; N184-G186 VanDerWaalsContact O-N 3.16Å
187N52.7Low53.8Low149 Ų149152.3 Ų152.380%0.79784%0.842SS**  trans-71.7132.1178.1-144.430.7000108.6K185K185-N187 PolarHBondContact O-N 3.14Å; K185-N187 VanDerWaalsContact O-N 3.14Å
188S52.1Low53.5Low107 Ų107150.3 Ų150.375%0.74885%0.845SS**  trans-50.8131.1166.847.90000111.4
189S51Low53.3Low119 Ų119152.6 Ų152.683%0.83285%0.851SS**  trans-121.5108.6152.522.60000106.9
190S49.5Very low52.8Low108 Ų108152 Ų15276%0.75585%0.851SS**  trans-63.3134.9159.742.40000109.7
191E53Low52.3Low189 Ų189154.7 Ų154.788%0.88386%0.857SS**  trans-170.9126.3144.2-106.1163.2-165.500110.2
192N47.6Very low52.1Low240 Ų240162.3 Ų162.3100%1.28387%0.869SS**  trans78.20176.4-62.7-15.5000119.4

Retrieved 192 of 192 residues in 413 ms (Link to these results)

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