A0A087XIQ2_POEFO Loading...

NFKB inhibitor interacting Ras-like 1

AlphaFold DB , UniProt , Accession A0A087XIQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M36.5Very low82.3Confident232 Ų23256.7 Ų56.7100%1.14331%0.313SS*.  0114.20-82.3161.774.100108
2G49.8Very low83.6Confident78 Ų7852.8 Ų52.880%0.80429%0.291SS*.PPolyproline II helixtrans-62.8145.7176.900000110.6G4G2-G4 PolarHBondContact O-N 2.73Å
3K63.3Low84.6Confident211 Ų21152.9 Ų52.992%0.91730%0.304SS*.PPolyproline II helixtrans-62.8117.9171.8-71.8176.9177.5176.10107.3
4G79.6Confident85.3Confident14 Ų1455.4 Ų55.414%0.14433%0.334CS..PPolyproline II helixtrans-57.5143.4176.500000111.6G2 K6 Q56G2-G4 PolarHBondContact O-N 2.73Å; G4-K6 PolarHBondContact O-N 3.07Å; G4-Q56 CarbonylContact C-O 3.54Å; G4-Q56 WeakPolarHBondContact CA-O 3.1Å
5C91.8Very high86.1Confident20 Ų2051.9 Ų51.914%0.13531%0.312CS..EExtended strand (participates in β ladder)trans-64.9132.9-177.1-63.40000110.4Q56 L57 R58 D80 L168C5-Q56 PolarHBondContact N-O 3.44Å; C5-Q56 VanDerWaalsContact N-O 3.16Å; C5-L57 HydrophobicContact CB-CD2 3.83Å; C5-L57 WeakPolarHBondContact O-CA 3.22Å; C5-R58 PolarHBondContact O-N 3.19Å; C5-D80 WeakPolarHBondContact CA-OD2 3.45Å; C5-D80 HydrophobicContact CB-CB 4.22Å; C5-L168 HydrophobicContact CB-CB 4.4Å; C5-L168 HydrophobicContact CB-CD1 4.14Å
6K94.7Very high86.7Confident68 Ų6849.8 Ų49.830%0.29631%0.305SS..EExtended strand (participates in β ladder)trans-88.5121.1177.9-62.3177.1-179.6177.10109.2G4 R58 Y60 V78 D80 G81G4-K6 PolarHBondContact O-N 3.07Å; K6-R58 WeakPolarHBondContact CA-O 3.44Å; K6-Y60 HydrophobicContact CB-CD2 4.31Å; K6-Y60 HydrophobicContact CB-CE2 3.63Å; K6-Y60 HydrophobicContact CD-CE2 4.16Å; K6-Y60 HydrophobicContact CG-CE2 3.76Å; K6-V78 VanDerWaalsContact CD-O 3.3Å; K6-V78 WeakPolarHBondContact CD-O 3.5Å; K6-D80 PolarHBondContact N-OD2 2.71Å; K6-D80 WeakPolarHBondContact O-CA 3.48Å; K6-D80 WeakPolarHBondContact O-CB 3.47Å; K6-D80 PolarHBondContact O-N 3.18Å; K6-G81 PolarHBondContact O-N 3.3Å
7V97.1Very high87.3Confident0 Ų047.5 Ų47.50%029%0.29CS..EExtended strand (participates in β ladder)trans-119.5126179.5176.90000108.2L57 R58 L59 Y60 G81 V83 L164 L168V7-L57 HydrophobicContact CG2-CD1 4.35Å; V7-L57 HydrophobicContact CG2-CD2 4.21Å; V7-R58 PolarHBondContact N-O 3.05Å; V7-L59 HydrophobicContact CB-CD2 3.74Å; V7-L59 HydrophobicContact CG1-CD2 4.09Å; V7-L59 HydrophobicContact CG2-CD2 4.25Å; V7-L59 CarbonylContact O-C 3.47Å; V7-L59 WeakPolarHBondContact O-CA 3.41Å; V7-Y60 PolarHBondContact O-N 2.97Å; V7-G81 WeakPolarHBondContact CA-O 3.39Å; V7-V83 HydrophobicContact CG1-CG2 3.64Å; V7-L164 HydrophobicContact CG1-CD2 3.86Å; V7-L164 HydrophobicContact CG2-CD2 4.2Å; V7-L168 HydrophobicContact CG2-CD1 3.65Å
8V97.9Very high87.8Confident0 Ų046.4 Ų46.40%028%0.283CS..EExtended strand (participates in β ladder)trans-94.3128.5175.4175.30000109.3C10 T62 L71 Y75 A79 G81 F82 V83V8-C10 HydrophobicContact CG1-CB 4.38Å; V8-T62 HydrophobicContact CG1-CG2 3.82Å; V8-L71 HydrophobicContact CG1-CD2 4.35Å; V8-Y75 HydrophobicContact CB-CD1 4.43Å; V8-Y75 HydrophobicContact CG1-CD1 3.88Å; V8-Y75 HydrophobicContact CG1-CG 4.09Å; V8-Y75 HydrophobicContact CG2-CD1 3.63Å; V8-Y75 HydrophobicContact CG2-CE1 4.49Å; V8-Y75 HydrophobicContact CG2-CG 4.31Å; V8-A79 HydrophobicContact CB-CB 4.4Å; V8-A79 HydrophobicContact CG2-CB 3.77Å; V8-G81 PolarHBondContact N-O 2.84Å; V8-F82 HydrophobicContact CB-CD1 3.74Å; V8-F82 HydrophobicContact CB-CE1 3.69Å; V8-F82 HydrophobicContact CG1-CD1 4.1Å; V8-F82 HydrophobicContact CG1-CE1 3.97Å; V8-F82 HydrophobicContact CG2-CE1 4.25Å; V8-F82 WeakPolarHBondContact O-CA 3.45Å; V8-V83 PolarHBondContact O-N 2.92Å
9V98.5Very high88.2Confident1 Ų144.7 Ų44.71%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-104.5115176.6-171.60000108.1K17 L21 Y60 T62 V83 V85V9-K17 HydrophobicContact CG1-CB 4.02Å; V9-K17 HydrophobicContact CG1-CD 4.35Å; V9-K17 HydrophobicContact CG1-CG 4.13Å; V9-L21 HydrophobicContact CG2-CD1 4.16Å; V9-L21 HydrophobicContact CG2-CD2 4.2Å; V9-Y60 PolarHBondContact N-O 3.39Å; V9-T62 WeakPolarHBondContact O-CG2 3.43Å; V9-T62 PolarHBondContact O-N 3.43Å; V9-T62 PolarHBondContact O-OG1 3.22Å; V9-V83 WeakPolarHBondContact CA-O 3.47Å; V9-V83 HydrophobicContact CG1-CB 4.29Å; V9-V83 HydrophobicContact CG1-CG1 4.39Å; V9-V83 HydrophobicContact CG2-CB 4.2Å; V9-V83 HydrophobicContact CG2-CG2 4.48Å; V9-V85 HydrophobicContact CG1-CG2 3.86Å
10C98.1Very high88.7Confident0 Ų042.5 Ų42.50%026%0.261CS..EExtended strand (participates in β ladder)trans-142.9158.5-174.262.80000113.4V8 L71 V83 L84 V85V8-C10 HydrophobicContact CG1-CB 4.38Å; C10-L71 HydrophobicContact CB-CD1 3.81Å; C10-L71 HydrophobicContact CB-CD2 4.41Å; C10-V83 PolarHBondContact N-O 2.78Å; C10-L84 WeakPolarHBondContact O-CA 3.49Å; C10-L84 WeakPolarHBondContact SG-CD2 3.28Å; C10-V85 PolarHBondContact O-N 3.25Å
11G98.4Very high89Confident0 Ų040.5 Ų40.50%025%0.248CC..  trans157.7171.8-169.200000110.4K17 L65 V85G11-K17 PolarHBondContact O-NZ 3.32Å; G11-L65 PolarHBondContact O-N 3Å; G11-V85 WeakPolarHBondContact CA-O 3.47Å
12L98.1Very high91.8Very high9 Ų932.1 Ų32.15%0.04721%0.207CC..BIsolated β-bridgetrans-58.9165.9179.6-70.5-173.5000112.5V15 K17 L65 D67 E92 S93 K96L12-V15 HydrophobicContact CB-CG1 3.97Å; L12-V15 VanDerWaalsContact O-CG2 3.24Å; L12-V15 WeakPolarHBondContact O-CG2 3.41Å; L12-K17 PolarHBondContact O-NZ 3.43Å; L12-L65 CarbonylContact C-O 3.52Å; L12-L65 VanDerWaalsContact CA-O 3.28Å; L12-L65 WeakPolarHBondContact CA-O 3.27Å; L12-L65 HydrophobicContact CD2-CB 4.21Å; L12-L65 VanDerWaalsContact CD2-O 3.22Å; L12-L65 WeakPolarHBondContact CD2-O 3.43Å; L12-D67 WeakPolarHBondContact CD1-OD1 3Å; L12-E92 HydrophobicContact CD1-CB 4.5Å; L12-E92 HydrophobicContact CD1-CG 4.07Å; L12-S93 VanDerWaalsContact CD1-CA 3.47Å; L12-K96 HydrophobicContact CD1-CB 4.26Å; L12-K96 HydrophobicContact CD2-CB 4.04Å; L12-K96 HydrophobicContact CD2-CD 4.04Å; L12-K96 HydrophobicContact CD2-CG 3.65Å; L12-K96 HydrophobicContact CG-CB 3.82Å; L12-K96 HydrophobicContact CG-CG 3.9Å
13A96.3Very high93.9Very high55 Ų5529.3 Ų29.346%0.45517%0.172SC..THydrogen-bonded Turntrans-56.1151.3166.300000111.3V15 L65A13-V15 PolarHBondContact O-N 2.73Å; A13-L65 PolarHBondContact N-O 3.36Å
14A94.4Very high95.4Very high88 Ų8820 Ų2073%0.72713%0.133SC*.THydrogen-bonded Turntrans61.36.2175.900000118.1G16 K121A14-G16 PolarHBondContact O-N 3.39Å; A14-K121 WeakPolarHBondContact O-CE 3.46Å; A14-K121 PolarHBondContact O-NZ 3.38Å
15V97.2Very high96.1Very high2 Ų221.3 Ų21.31%0.01214%0.136CC..SBendtrans-73.6-13.8174.7-56.70000113.7L12 A13 K17 V85 N120L12-V15 HydrophobicContact CB-CG1 3.97Å; L12-V15 VanDerWaalsContact O-CG2 3.24Å; L12-V15 WeakPolarHBondContact O-CG2 3.41Å; A13-V15 PolarHBondContact O-N 2.73Å; V15-K17 HydrophobicContact CG2-CD 4.49Å; V15-K17 HydrophobicContact CG2-CG 3.79Å; V15-V85 HydrophobicContact CB-CG1 4.2Å; V15-V85 HydrophobicContact CG2-CB 3.95Å; V15-V85 HydrophobicContact CG2-CG1 3.73Å; V15-V85 WeakPolarHBondContact CG2-O 3.28Å; V15-N120 WeakPolarHBondContact O-CB 3.34Å; V15-N120 PolarHBondContact O-ND2 3.41Å
16G95.9Very high96.1Very high18 Ų1826.8 Ų26.819%0.18616%0.155CC..  trans9530.9176.100000116.2A14 A19 I20A14-G16 PolarHBondContact O-N 3.39Å; G16-A19 PolarHBondContact O-N 2.99Å; G16-I20 WeakPolarHBondContact O-CB 3.28Å; G16-I20 WeakPolarHBondContact O-CD1 3.42Å; G16-I20 VanDerWaalsContact O-CG1 3.28Å; G16-I20 WeakPolarHBondContact O-CG1 3.48Å; G16-I20 PolarHBondContact O-N 3.44Å
17K97.4Very high95.8Very high12 Ų1225.1 Ų25.15%0.05216%0.157CC..Hα-helixtrans-54.7-58176.9-63-176.3-62.2-64.90112.6V9 G11 L12 V15 A19 I20 L21 D61 T62 G64 V85V9-K17 HydrophobicContact CG1-CB 4.02Å; V9-K17 HydrophobicContact CG1-CD 4.35Å; V9-K17 HydrophobicContact CG1-CG 4.13Å; G11-K17 PolarHBondContact O-NZ 3.32Å; L12-K17 PolarHBondContact O-NZ 3.43Å; V15-K17 HydrophobicContact CG2-CD 4.49Å; V15-K17 HydrophobicContact CG2-CG 3.79Å; K17-A19 PolarHBondContact O-N 3.37Å; K17-I20 WeakPolarHBondContact O-CB 3.34Å; K17-I20 PolarHBondContact O-N 3.16Å; K17-L21 WeakPolarHBondContact O-CG 3.46Å; K17-L21 PolarHBondContact O-N 3.02Å; K17-D61 WeakPolarHBondContact CB-OD1 3.41Å; K17-T62 WeakPolarHBondContact CE-O 3.41Å; K17-G64 VanDerWaalsContact NZ-CA 3.3Å; K17-V85 HydrophobicContact CG-CB 4.02Å; K17-V85 HydrophobicContact CG-CG1 4.48Å; K17-V85 HydrophobicContact CG-CG2 4.1Å
18T95.7Very high94.8Very high27 Ų2730.2 Ų30.217%0.16618%0.184CC..Hα-helixtrans-60.4-45178.3-46.60000111.6I20 L21 E22 T38 Y43 D61T18-I20 VanDerWaalsContact C-N 3.33Å; T18-I20 PolarHBondContact O-N 3.08Å; T18-L21 PolarHBondContact O-N 3.37Å; T18-E22 HydrophobicContact CG2-CG 4.3Å; T18-E22 WeakPolarHBondContact O-CG 3.44Å; T18-E22 PolarHBondContact O-N 3.01Å; T18-T38 PolarHBondContact OG1-OG1 2.69Å; T18-Y43 WeakPolarHBondContact CG2-OH 3.3Å; T18-D61 WeakPolarHBondContact CA-OD2 3.37Å; T18-D61 VanDerWaalsContact CB-OD2 3.27Å; T18-D61 WeakPolarHBondContact CB-OD2 3.38Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.5Å; T18-D61 PolarHBondContact OG1-OD2 3.18Å
19A95.4Very high93.8Very high15 Ų1531.6 Ų31.612%0.12419%0.19CC..Hα-helixtrans-59-41.1177.800000112.9G16 K17 L21 Q23 H29 V151G16-A19 PolarHBondContact O-N 2.99Å; K17-A19 PolarHBondContact O-N 3.37Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-Q23 WeakPolarHBondContact O-CB 3.26Å; A19-Q23 PolarHBondContact O-N 3.22Å; A19-H29 WeakPolarHBondContact CB-NE2 3.27Å; A19-V151 HydrophobicContact CB-CG1 4.29Å; A19-V151 HydrophobicContact CB-CG2 3.94Å
20I97.2Very high92.5Very high0 Ų035.3 Ų35.30%022%0.217CC..Hα-helixtrans-59.4-46.6173.1-76.4163.5000110.6G16 K17 T18 L24 V85 L118 N120 V149 V151 L157 F161G16-I20 WeakPolarHBondContact O-CB 3.28Å; G16-I20 WeakPolarHBondContact O-CD1 3.42Å; G16-I20 VanDerWaalsContact O-CG1 3.28Å; G16-I20 WeakPolarHBondContact O-CG1 3.48Å; G16-I20 PolarHBondContact O-N 3.44Å; K17-I20 WeakPolarHBondContact O-CB 3.34Å; K17-I20 PolarHBondContact O-N 3.16Å; T18-I20 VanDerWaalsContact C-N 3.33Å; T18-I20 PolarHBondContact O-N 3.08Å; I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 PolarHBondContact O-N 3.38Å; I20-V85 HydrophobicContact CD1-CG1 3.64Å; I20-V85 HydrophobicContact CD1-CG2 4.3Å; I20-L118 HydrophobicContact CD1-CD1 4.18Å; I20-L118 HydrophobicContact CG2-CD1 4.16Å; I20-N120 HydrophobicContact CD1-CB 4.03Å; I20-V149 HydrophobicContact CD1-CG2 4.45Å; I20-V151 HydrophobicContact CG1-CG2 3.8Å; I20-L157 HydrophobicContact CG1-CD2 4.13Å; I20-L157 HydrophobicContact CG2-CD2 4.11Å; I20-F161 HydrophobicContact CG2-CE2 4.03Å; I20-F161 HydrophobicContact CG2-CZ 4.16Å
21L96.3Very high91.1Very high0 Ų040.4 Ų40.40%025%0.247CC..Hα-helixtrans-67.3-48.5-177.2-64.8-174.2000112.2V9 K17 T18 A19 Q23 L24 L25 Y43 L59 D61 F161V9-L21 HydrophobicContact CG2-CD1 4.16Å; V9-L21 HydrophobicContact CG2-CD2 4.2Å; K17-L21 WeakPolarHBondContact O-CG 3.46Å; K17-L21 PolarHBondContact O-N 3.02Å; T18-L21 PolarHBondContact O-N 3.37Å; A19-L21 VanDerWaalsContact C-N 3.35Å; L21-Q23 VanDerWaalsContact C-N 3.32Å; L21-Q23 PolarHBondContact O-N 3.49Å; L21-L24 PolarHBondContact O-N 3.42Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CD1 3.3Å; L21-L25 WeakPolarHBondContact O-CG 3.45Å; L21-L25 PolarHBondContact O-N 3.03Å; L21-Y43 HydrophobicContact CB-CD2 4.3Å; L21-Y43 HydrophobicContact CB-CE2 4.4Å; L21-Y43 HydrophobicContact CB-CG 4.46Å; L21-Y43 HydrophobicContact CD1-CD2 3.62Å; L21-Y43 HydrophobicContact CD1-CE2 3.95Å; L21-Y43 HydrophobicContact CD1-CG 4.37Å; L21-L59 HydrophobicContact CD1-CB 4.27Å; L21-L59 HydrophobicContact CD2-CB 4.24Å; L21-L59 HydrophobicContact CD2-CD1 3.52Å; L21-L59 HydrophobicContact CD2-CG 4.44Å; L21-D61 HydrophobicContact CD1-CB 3.71Å; L21-F161 HydrophobicContact CD2-CE1 4.27Å; L21-F161 HydrophobicContact CD2-CZ 4.05Å
22E94.3Very high89.5Confident57 Ų5744.1 Ų44.127%0.26629%0.286SS..Hα-helixtrans-61.2-42.8177.7-69.6-179.8159.600111.4T18 L25 Y26 G27 H29 Y43T18-E22 HydrophobicContact CG2-CG 4.3Å; T18-E22 WeakPolarHBondContact O-CG 3.44Å; T18-E22 PolarHBondContact O-N 3.01Å; E22-L25 PolarHBondContact O-N 3.46Å; E22-Y26 HydrophobicContact CB-CD2 4.3Å; E22-Y26 HydrophobicContact CG-CD2 4.49Å; E22-Y26 WeakPolarHBondContact O-CA 3.38Å; E22-Y26 WeakPolarHBondContact O-CB 3.45Å; E22-Y26 PolarHBondContact O-N 2.69Å; E22-G27 PolarHBondContact O-N 3.26Å; E22-H29 HydrophobicContact CB-CB 4.36Å; E22-H29 IonicContact OE2-CE1 3.76Å; E22-H29 IonicContact OE2-ND1 2.97Å; E22-H29 PolarHBondContact OE2-ND1 3.48Å; E22-Y43 HydrophobicContact CG-CE1 4.24Å
23Q94.9Very high88Confident18 Ų1846.4 Ų46.48%0.08430%0.303CS..Hα-helixtrans-68.7-40.5179.2-173.768.6-26.200112.5A19 L21 L25 G27 H29 V151 R154 L157A19-Q23 WeakPolarHBondContact O-CB 3.26Å; A19-Q23 PolarHBondContact O-N 3.22Å; L21-Q23 VanDerWaalsContact C-N 3.32Å; L21-Q23 PolarHBondContact O-N 3.49Å; Q23-L25 VanDerWaalsContact C-N 3.35Å; Q23-G27 VanDerWaalsContact O-CA 3.3Å; Q23-G27 WeakPolarHBondContact O-CA 3.38Å; Q23-G27 PolarHBondContact O-N 2.7Å; Q23-G27 VanDerWaalsContact O-N 3.12Å; Q23-G27 VanDerWaalsContact OE1-C 3.3Å; Q23-H29 HydrophobicContact CB-CB 3.93Å; Q23-V151 HydrophobicContact CB-CG1 4Å; Q23-V151 HydrophobicContact CG-CG1 4.1Å; Q23-V151 VanDerWaalsContact CG-O 3.28Å; Q23-V151 WeakPolarHBondContact CG-O 3.46Å; Q23-V151 PolarHBondContact NE2-O 3.26Å; Q23-R154 HydrophobicContact CG-CB 4.15Å; Q23-R154 HydrophobicContact CG-CG 4.26Å; Q23-R154 WeakPolarHBondContact O-CD 3.44Å; Q23-R154 PolarHBondContact O-NE 2.77Å; Q23-L157 HydrophobicContact CB-CD1 3.85Å; Q23-L157 HydrophobicContact CG-CD1 3.79Å
24L94.9Very high86.5Confident17 Ų1753.3 Ų53.39%0.08933%0.325CS..Hα-helixtrans-59.1-48.9175.2178.670.2000110.7I20 L21 R154 L157 I158 F161I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 PolarHBondContact O-N 3.38Å; L21-L24 PolarHBondContact O-N 3.42Å; L24-R154 PolarHBondContact O-NE 2.87Å; L24-R154 PolarHBondContact O-NH2 3.44Å; L24-L157 HydrophobicContact CB-CD1 4.45Å; L24-L157 HydrophobicContact CD1-CB 3.98Å; L24-I158 HydrophobicContact CD1-CD1 3.87Å; L24-F161 HydrophobicContact CD1-CD2 4.31Å; L24-F161 HydrophobicContact CD2-CB 4.19Å; L24-F161 HydrophobicContact CD2-CD1 3.57Å; L24-F161 HydrophobicContact CD2-CD2 3.65Å; L24-F161 HydrophobicContact CD2-CE1 3.73Å; L24-F161 HydrophobicContact CD2-CE2 3.79Å; L24-F161 HydrophobicContact CD2-CG 3.52Å; L24-F161 HydrophobicContact CD2-CZ 3.82Å
25L93.6Very high85.2Confident40 Ų4053.6 Ų53.621%0.20932%0.322CS..Hα-helixtrans-81.3-47.5-170.1-65.9171.2000113.2L21 E22 Q23 Y43 A45L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CD1 3.3Å; L21-L25 WeakPolarHBondContact O-CG 3.45Å; L21-L25 PolarHBondContact O-N 3.03Å; E22-L25 PolarHBondContact O-N 3.46Å; Q23-L25 VanDerWaalsContact C-N 3.35Å; L25-Y43 HydrophobicContact CD1-CD1 3.61Å; L25-Y43 HydrophobicContact CD1-CG 3.88Å; L25-A45 HydrophobicContact CD2-CB 3.59Å
26Y91.4Very high84.4Confident135 Ų13560.9 Ų60.953%0.52936%0.361SS..THydrogen-bonded Turntrans-109.4-23.8-168.6-49.6-50.2000112.4E22 N28 Y43E22-Y26 HydrophobicContact CB-CD2 4.3Å; E22-Y26 HydrophobicContact CG-CD2 4.49Å; E22-Y26 WeakPolarHBondContact O-CA 3.38Å; E22-Y26 WeakPolarHBondContact O-CB 3.45Å; E22-Y26 PolarHBondContact O-N 2.69Å; Y26-N28 VanDerWaalsContact CB-OD1 3.24Å; Y26-N28 WeakPolarHBondContact CB-OD1 3.35Å; Y26-N28 PolarHBondContact O-N 2.96Å; Y26-Y43 HydrophobicContact CE2-CD1 4.23Å; Y26-Y43 HydrophobicContact CE2-CE1 4.08Å
27G88Confident84Confident33 Ų3367.3 Ų67.334%0.3439%0.386SS..SBendtrans62.623.1-179.100000113.8E22 Q23E22-G27 PolarHBondContact O-N 3.26Å; Q23-G27 VanDerWaalsContact O-CA 3.3Å; Q23-G27 WeakPolarHBondContact O-CA 3.38Å; Q23-G27 PolarHBondContact O-N 2.7Å; Q23-G27 VanDerWaalsContact O-N 3.12Å; Q23-G27 VanDerWaalsContact OE1-C 3.3Å
28N77.4Confident83.6Confident107 Ų10768.3 Ų68.357%0.57239%0.393SS*.  trans-116.38.1-176.266.8-7.2000112.6Y26 S30Y26-N28 VanDerWaalsContact CB-OD1 3.24Å; Y26-N28 WeakPolarHBondContact CB-OD1 3.35Å; Y26-N28 PolarHBondContact O-N 2.96Å; N28-S30 PolarHBondContact O-N 3.17Å
29H75.9Confident83.3Confident29 Ų2972.8 Ų72.813%0.13441%0.413CS..PPolyproline II helixtrans-73.1119.6-179.1-170.986.4000109.4A19 E22 Q23 V151A19-H29 WeakPolarHBondContact CB-NE2 3.27Å; E22-H29 HydrophobicContact CB-CB 4.36Å; E22-H29 IonicContact OE2-CE1 3.76Å; E22-H29 IonicContact OE2-ND1 2.97Å; E22-H29 PolarHBondContact OE2-ND1 3.48Å; Q23-H29 HydrophobicContact CB-CB 3.93Å; H29-V151 HydrophobicContact CB-CG1 4.32Å; H29-V151 WeakPolarHBondContact CD2-CG1 3.32Å
30S70.7Confident83.1Confident80 Ų8077.8 Ų77.856%0.55943%0.433SS*.PPolyproline II helixtrans-101.5120.7177.2-60.50000109.3N28 G32 S33N28-S30 PolarHBondContact O-N 3.17Å; S30-G32 PolarHBondContact O-N 2.83Å; S30-S33 WeakPolarHBondContact O-CB 3.37Å; S30-S33 PolarHBondContact O-N 2.96Å; S30-S33 VanDerWaalsContact O-N 3.09Å; S30-S33 PolarHBondContact O-OG 3.24Å
31V69Low83Confident106 Ų10681.9 Ų81.964%0.64246%0.455SS*.THydrogen-bonded Turntrans-59.9131.1176.1177.80000109.4T152V31-T152 HydrophobicContact CG2-CG2 3.57Å
32G64.7Low83Confident79 Ų7985.2 Ų85.281%0.81448%0.475SS*.THydrogen-bonded Turntrans87.73.3-176.100000114.8S30S30-G32 PolarHBondContact O-N 2.83Å
33S67.3Low83Confident56 Ų5683.4 Ų83.439%0.39247%0.466SS..  trans-65.8137.9165.954.10000110.5S30 S35S30-S33 WeakPolarHBondContact O-CB 3.37Å; S30-S33 PolarHBondContact O-N 2.96Å; S30-S33 VanDerWaalsContact O-N 3.09Å; S30-S33 PolarHBondContact O-OG 3.24Å; S33-S35 PolarHBondContact O-N 3.23Å; S33-S35 VanDerWaalsContact O-N 3.08Å
34E65.1Low83Confident200 Ų20086.5 Ų86.594%0.93549%0.486SS*.  trans-63114.8171.7-64.1-142.1139.200108.5
35S67.3Low83Confident94 Ų9485.9 Ų85.966%0.65748%0.483SS*.  trans-113.3128.617545.20000108.4S33S33-S35 PolarHBondContact O-N 3.23Å; S33-S35 VanDerWaalsContact O-N 3.08Å
36N79.7Confident83Confident155 Ų15588 Ų8883%0.82950%0.502SS*.PPolyproline II helixtrans-69.5149.8173.3-69.4-36.3000109.6T38N36-T38 PolarHBondContact O-N 3.41Å; N36-T38 VanDerWaalsContact O-N 3.16Å
37E87.6Confident83.1Confident154 Ų15482.4 Ų82.472%0.7248%0.482SS*.PPolyproline II helixtrans-58.2121.4170.9-69.7-174.4-179.800110.7Q39E37-Q39 PolarHBondContact O-N 2.63Å
38T89.8Confident83.3Confident32 Ų3285.8 Ų85.820%0.19649%0.488CS..PPolyproline II helixtrans-61.8129.8174.3-48.70000110.2T18 N36 K63T18-T38 PolarHBondContact OG1-OG1 2.69Å; N36-T38 PolarHBondContact O-N 3.41Å; N36-T38 VanDerWaalsContact O-N 3.16Å; T38-K63 VanDerWaalsContact O-CA 3.32Å; T38-K63 WeakPolarHBondContact O-CA 3.22Å; T38-K63 WeakPolarHBondContact O-CB 3.47Å; T38-K63 WeakPolarHBondContact O-CG 3.45Å
39Q89.2Confident84Confident122 Ų12281 Ų8157%0.5746%0.463SS*.  trans-85.1-75.3164.4-61.4-62-40.700108.3E37 K63E37-Q39 PolarHBondContact O-N 2.63Å; Q39-K63 WeakPolarHBondContact O-CA 3.28Å; Q39-K63 VanDerWaalsContact O-CB 3.26Å; Q39-K63 WeakPolarHBondContact O-CB 3.49Å; Q39-K63 PolarHBondContact O-N 3.21Å
40E90.4Very high84.6Confident120 Ų12084.6 Ų84.656%0.56148%0.483SS*.EExtended strand (participates in β ladder)trans-152.9137.9171.5-61.7-174.5151.500107.9D61 Y75E40-D61 WeakPolarHBondContact CA-O 3.45Å; E40-Y75 WeakPolarHBondContact CG-OH 3.45Å; E40-Y75 PolarHBondContact OE1-OH 2.99Å
41D94.6Very high85.4Confident86 Ų8685.7 Ų85.746%0.4648%0.475SS..EExtended strand (participates in β ladder)trans-143.3161.1173.3-154-11.7000110.9Y43 D61D41-Y43 HydrophobicContact CB-CE2 4.06Å; D41-D61 HydrophobicContact CB-CB 4.47Å; D41-D61 PolarHBondContact N-O 3.22Å; D41-D61 PolarHBondContact O-N 3.17Å
42V96.3Very high86.3Confident69 Ų6982.9 Ų82.942%0.41847%0.467SS..EExtended strand (participates in β ladder)trans-128.1113.2178.1-175.90000110.4R58 L59 Y60V42-R58 HydrophobicContact CG1-CB 4.31Å; V42-L59 WeakPolarHBondContact CA-O 3.43Å; V42-Y60 HydrophobicContact CG2-CD1 3.77Å; V42-Y60 HydrophobicContact CG2-CE1 3.91Å; V42-Y60 HydrophobicContact CG2-CG 4.37Å
43Y95.7Very high87.5Confident19 Ų1982.3 Ų82.38%0.07545%0.448CS..EExtended strand (participates in β ladder)trans-95.2148.1173.8-59.8-99.4000110.9T18 L21 E22 L25 Y26 D41 R58 L59 D61T18-Y43 WeakPolarHBondContact CG2-OH 3.3Å; L21-Y43 HydrophobicContact CB-CD2 4.3Å; L21-Y43 HydrophobicContact CB-CE2 4.4Å; L21-Y43 HydrophobicContact CB-CG 4.46Å; L21-Y43 HydrophobicContact CD1-CD2 3.62Å; L21-Y43 HydrophobicContact CD1-CE2 3.95Å; L21-Y43 HydrophobicContact CD1-CG 4.37Å; E22-Y43 HydrophobicContact CG-CE1 4.24Å; L25-Y43 HydrophobicContact CD1-CD1 3.61Å; L25-Y43 HydrophobicContact CD1-CG 3.88Å; Y26-Y43 HydrophobicContact CE2-CD1 4.23Å; Y26-Y43 HydrophobicContact CE2-CE1 4.08Å; D41-Y43 HydrophobicContact CB-CE2 4.06Å; Y43-R58 CarbonylContact O-C 3.57Å; Y43-R58 WeakPolarHBondContact O-CA 3.22Å; Y43-L59 PolarHBondContact N-O 2.86Å; Y43-L59 PolarHBondContact O-N 2.6Å; Y43-D61 HydrophobicContact CD2-CB 4.08Å; Y43-D61 HydrophobicContact CE2-CB 3.76Å
44V95.4Very high88.7Confident84 Ų8486.3 Ų86.351%0.50946%0.458SS..EExtended strand (participates in β ladder)trans-113.1116.3174.6-178.10000109.3L57V44-L57 WeakPolarHBondContact CA-O 3.49Å
45A93.7Very high90.1Very high3 Ų379.8 Ų79.83%0.02543%0.428CS..EExtended strand (participates in β ladder)trans-104.8134.6177.200000110.3L25 V47 Q56 L57 L59L25-A45 HydrophobicContact CD2-CB 3.59Å; A45-V47 HydrophobicContact CB-CG2 4.02Å; A45-Q56 CarbonylContact O-C 3.56Å; A45-Q56 WeakPolarHBondContact O-CA 3.47Å; A45-L57 HydrophobicContact CB-CB 4.29Å; A45-L57 PolarHBondContact N-O 3.28Å; A45-L57 PolarHBondContact O-N 2.91Å; A45-L59 HydrophobicContact CB-CD1 3.97Å; A45-L59 HydrophobicContact CB-CG 4.46Å
46S93.8Very high91.3Very high85 Ų8580 Ų8059%0.59442%0.418SS*.EExtended strand (participates in β ladder)trans-101.7103.8165.5178.50000108.2
47V93.9Very high92.1Very high18 Ų1872.6 Ų72.611%0.10938%0.379CS..EExtended strand (participates in β ladder)trans-105.7126.8-175.7-1760000109.3A45 K54 E55 L57 I162 T165A45-V47 HydrophobicContact CB-CG2 4.02Å; V47-K54 WeakPolarHBondContact O-CA 3.43Å; V47-E55 PolarHBondContact N-O 2.88Å; V47-E55 PolarHBondContact O-N 3.49Å; V47-L57 HydrophobicContact CG2-CD1 4.2Å; V47-L57 HydrophobicContact CG2-CG 4.44Å; V47-I162 HydrophobicContact CG1-CG1 4Å; V47-T165 HydrophobicContact CB-CG2 4.08Å; V47-T165 WeakPolarHBondContact CB-OG1 3.48Å; V47-T165 HydrophobicContact CG1-CG2 4.34Å; V47-T165 WeakPolarHBondContact CG1-OG1 3.41Å
48E92.9Very high92.5Very high104 Ų10470.9 Ų70.949%0.48637%0.366SS..EExtended strand (participates in β ladder)trans-82.2118169.4-166.8166.514500108.9K54E48-K54 HydrophobicContact CB-CG 4.17Å; E48-K54 HydrophobicContact CG-CG 4.21Å; E48-K54 WeakPolarHBondContact OE2-CE 3.32Å
49T91.6Very high92.9Very high5 Ų569.4 Ų69.43%0.03136%0.357CS..  trans-71.6163.9176.959.90000110.9R51 G52 V53 E55 T165T49-R51 PolarHBondContact O-N 3.12Å; T49-G52 PolarHBondContact O-N 3.02Å; T49-V53 PolarHBondContact N-O 2.97Å; T49-V53 PolarHBondContact OG1-N 3.25Å; T49-V53 PolarHBondContact OG1-O 2.67Å; T49-E55 HydrophobicContact CG2-CG 4.14Å; T49-T165 HydrophobicContact CG2-CG2 3.62Å
50D88.3Confident93.3Very high105 Ų10565.8 Ų65.856%0.56134%0.338SS*.THydrogen-bonded Turntrans-52.9-20.6170.360-25.6000114.3G52 I162 S166D50-G52 VanDerWaalsContact C-N 3.32Å; D50-I162 HydrophobicContact CB-CG2 4.49Å; D50-S166 VanDerWaalsContact OD1-CB 3.3Å; D50-S166 WeakPolarHBondContact OD1-CB 3.44Å; D50-S166 PolarHBondContact OD1-OG 3.07Å
51R88.3Confident93.6Very high103 Ų10360 Ų6039%0.38931%0.311SS..THydrogen-bonded Turntrans-851.1175.5-60.3170.7-65.9170.93.9113.8T49 V53 T169T49-R51 PolarHBondContact O-N 3.12Å; R51-V53 VanDerWaalsContact C-N 3.27Å; R51-V53 HydrophobicContact CB-CG2 4.38Å; R51-V53 PolarHBondContact O-N 2.64Å; R51-T169 PolarHBondContact NH1-O 3.18Å; R51-T169 PolarHBondContact NH2-O 3.09Å; R51-T169 PolarHBondContact NH2-OG1 3.27Å
52G87.4Confident93.7Very high47 Ų4756.1 Ų56.149%0.48529%0.29SS..SBendtrans74.413-175.300000114.2T49 D50T49-G52 PolarHBondContact O-N 3.02Å; D50-G52 VanDerWaalsContact C-N 3.32Å
53V89.6Confident93.6Very high67 Ų6756.9 Ų56.941%0.40629%0.288SS..  trans-97.4128.3178.6-177.30000109.6T49 R51 E55T49-V53 PolarHBondContact N-O 2.97Å; T49-V53 PolarHBondContact OG1-N 3.25Å; T49-V53 PolarHBondContact OG1-O 2.67Å; R51-V53 VanDerWaalsContact C-N 3.27Å; R51-V53 HydrophobicContact CB-CG2 4.38Å; R51-V53 PolarHBondContact O-N 2.64Å; V53-E55 HydrophobicContact CG1-CG 4.25Å
54K92Very high93.6Very high141 Ų14156.7 Ų56.761%0.61329%0.292SS*.EExtended strand (participates in β ladder)trans-84.4123.1174.4-70-176.6179.9-179.10110.8V47 E48V47-K54 WeakPolarHBondContact O-CA 3.43Å; E48-K54 HydrophobicContact CB-CG 4.17Å; E48-K54 HydrophobicContact CG-CG 4.21Å; E48-K54 WeakPolarHBondContact OE2-CE 3.32Å
55E93.7Very high93.6Very high62 Ų6253.2 Ų53.229%0.2927%0.27SS..EExtended strand (participates in β ladder)trans-123.7147.2-178.4-66.1-71.1-179.700110.1V47 T49 V53 T165 T169V47-E55 PolarHBondContact N-O 2.88Å; V47-E55 PolarHBondContact O-N 3.49Å; T49-E55 HydrophobicContact CG2-CG 4.14Å; V53-E55 HydrophobicContact CG1-CG 4.25Å; E55-T165 HydrophobicContact CB-CG2 3.52Å; E55-T165 HydrophobicContact CG-CG2 4.18Å; E55-T169 HydrophobicContact CB-CG2 4.05Å; E55-T169 HydrophobicContact CG-CG2 3.75Å
56Q93.9Very high93.6Very high99 Ų9958.6 Ų58.646%0.46330%0.295SS..EExtended strand (participates in β ladder)trans-97.5126.3177.8-74.5-170.7-9.100111.3G4 C5 A45G4-Q56 CarbonylContact C-O 3.54Å; G4-Q56 WeakPolarHBondContact CA-O 3.1Å; C5-Q56 PolarHBondContact N-O 3.44Å; C5-Q56 VanDerWaalsContact N-O 3.16Å; A45-Q56 CarbonylContact O-C 3.56Å; A45-Q56 WeakPolarHBondContact O-CA 3.47Å
57L95.6Very high93.2Very high0 Ų058.3 Ų58.30%029%0.287CS..EExtended strand (participates in β ladder)trans-103.7139.8167.1-57.5-174.3000110.4C5 V7 V44 A45 V47 L59 F161 L164 T165 L168C5-L57 HydrophobicContact CB-CD2 3.83Å; C5-L57 WeakPolarHBondContact O-CA 3.22Å; V7-L57 HydrophobicContact CG2-CD1 4.35Å; V7-L57 HydrophobicContact CG2-CD2 4.21Å; V44-L57 WeakPolarHBondContact CA-O 3.49Å; A45-L57 HydrophobicContact CB-CB 4.29Å; A45-L57 PolarHBondContact N-O 3.28Å; A45-L57 PolarHBondContact O-N 2.91Å; V47-L57 HydrophobicContact CG2-CD1 4.2Å; V47-L57 HydrophobicContact CG2-CG 4.44Å; L57-L59 HydrophobicContact CB-CD2 3.76Å; L57-L59 HydrophobicContact CB-CG 4.29Å; L57-L59 HydrophobicContact CD1-CD2 3.93Å; L57-F161 HydrophobicContact CD1-CD1 4.49Å; L57-L164 HydrophobicContact CD1-CD2 4.48Å; L57-T165 WeakPolarHBondContact CD1-OG1 3.08Å; L57-T165 HydrophobicContact CD2-CG2 4.26Å; L57-L168 HydrophobicContact CD2-CD1 4.2Å
58R96.6Very high93Very high118 Ų11863.5 Ų63.545%0.44532%0.319SS..EExtended strand (participates in β ladder)trans-102.9105.6164-67.1-179.1178.5-168.4-1.9107.8C5 K6 V7 V42 Y43 Y60C5-R58 PolarHBondContact O-N 3.19Å; K6-R58 WeakPolarHBondContact CA-O 3.44Å; V7-R58 PolarHBondContact N-O 3.05Å; V42-R58 HydrophobicContact CG1-CB 4.31Å; Y43-R58 CarbonylContact O-C 3.57Å; Y43-R58 WeakPolarHBondContact O-CA 3.22Å; R58-Y60 HydrophobicContact CB-CE2 4.07Å; R58-Y60 WeakPolarHBondContact O-CD2 3.37Å
59L97.6Very high93Very high0 Ų062 Ų620%031%0.311CS..EExtended strand (participates in β ladder)trans-92.7109.2-176.7-51.2178.2000108.1V7 L21 V42 Y43 A45 L57 D61 F161V7-L59 HydrophobicContact CB-CD2 3.74Å; V7-L59 HydrophobicContact CG1-CD2 4.09Å; V7-L59 HydrophobicContact CG2-CD2 4.25Å; V7-L59 CarbonylContact O-C 3.47Å; V7-L59 WeakPolarHBondContact O-CA 3.41Å; L21-L59 HydrophobicContact CD1-CB 4.27Å; L21-L59 HydrophobicContact CD2-CB 4.24Å; L21-L59 HydrophobicContact CD2-CD1 3.52Å; L21-L59 HydrophobicContact CD2-CG 4.44Å; V42-L59 WeakPolarHBondContact CA-O 3.43Å; Y43-L59 PolarHBondContact N-O 2.86Å; Y43-L59 PolarHBondContact O-N 2.6Å; A45-L59 HydrophobicContact CB-CD1 3.97Å; A45-L59 HydrophobicContact CB-CG 4.46Å; L57-L59 HydrophobicContact CB-CD2 3.76Å; L57-L59 HydrophobicContact CB-CG 4.29Å; L57-L59 HydrophobicContact CD1-CD2 3.93Å; L59-D61 PolarHBondContact O-N 3.43Å; L59-F161 HydrophobicContact CD1-CE1 3.96Å; L59-F161 HydrophobicContact CD2-CE1 4.17Å
60Y97.3Very high93.1Very high46 Ų4666.3 Ų66.318%0.1833%0.334CS..EExtended strand (participates in β ladder)trans-83.8102.3175.7-67.9-103000107.9K6 V7 V9 V42 R58 Y75K6-Y60 HydrophobicContact CB-CD2 4.31Å; K6-Y60 HydrophobicContact CB-CE2 3.63Å; K6-Y60 HydrophobicContact CD-CE2 4.16Å; K6-Y60 HydrophobicContact CG-CE2 3.76Å; V7-Y60 PolarHBondContact O-N 2.97Å; V9-Y60 PolarHBondContact N-O 3.39Å; V42-Y60 HydrophobicContact CG2-CD1 3.77Å; V42-Y60 HydrophobicContact CG2-CE1 3.91Å; V42-Y60 HydrophobicContact CG2-CG 4.37Å; R58-Y60 HydrophobicContact CB-CE2 4.07Å; R58-Y60 WeakPolarHBondContact O-CD2 3.37Å; Y60-Y75 HydrophobicContact CD1-CE1 4.42Å
61D96.6Very high93.4Very high0 Ų061.5 Ų61.50%031%0.309CS..EExtended strand (participates in β ladder)trans-79.7121.3172.9-16821.3000109.2K17 T18 L21 E40 D41 Y43 L59K17-D61 WeakPolarHBondContact CB-OD1 3.41Å; T18-D61 WeakPolarHBondContact CA-OD2 3.37Å; T18-D61 VanDerWaalsContact CB-OD2 3.27Å; T18-D61 WeakPolarHBondContact CB-OD2 3.38Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.5Å; T18-D61 PolarHBondContact OG1-OD2 3.18Å; L21-D61 HydrophobicContact CD1-CB 3.71Å; E40-D61 WeakPolarHBondContact CA-O 3.45Å; D41-D61 HydrophobicContact CB-CB 4.47Å; D41-D61 PolarHBondContact N-O 3.22Å; D41-D61 PolarHBondContact O-N 3.17Å; Y43-D61 HydrophobicContact CD2-CB 4.08Å; Y43-D61 HydrophobicContact CE2-CB 3.76Å; L59-D61 PolarHBondContact O-N 3.43Å
62T96.7Very high93.7Very high3 Ų359.2 Ų59.22%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-104.4152.3-173.763.80000110.9V8 V9 K17 G64 L71 Y75V8-T62 HydrophobicContact CG1-CG2 3.82Å; V9-T62 WeakPolarHBondContact O-CG2 3.43Å; V9-T62 PolarHBondContact O-N 3.43Å; V9-T62 PolarHBondContact O-OG1 3.22Å; K17-T62 WeakPolarHBondContact CE-O 3.41Å; T62-G64 PolarHBondContact O-N 3.32Å; T62-L71 HydrophobicContact CG2-CD1 4.42Å; T62-Y75 HydrophobicContact CG2-CD1 4.29Å; T62-Y75 HydrophobicContact CG2-CD2 4.37Å; T62-Y75 HydrophobicContact CG2-CE1 3.79Å; T62-Y75 HydrophobicContact CG2-CE2 3.89Å
63K95.5Very high94Very high85 Ų8565.6 Ų65.637%0.3732%0.322SS..PPolyproline II helixtrans-49.3139.7166.4-175.7165.7-175.6175.40110.9T38 Q39 L65T38-K63 VanDerWaalsContact O-CA 3.32Å; T38-K63 WeakPolarHBondContact O-CA 3.22Å; T38-K63 WeakPolarHBondContact O-CB 3.47Å; T38-K63 WeakPolarHBondContact O-CG 3.45Å; Q39-K63 WeakPolarHBondContact O-CA 3.28Å; Q39-K63 VanDerWaalsContact O-CB 3.26Å; Q39-K63 WeakPolarHBondContact O-CB 3.49Å; Q39-K63 PolarHBondContact O-N 3.21Å; K63-L65 PolarHBondContact O-N 3.43Å
64G94.7Very high94.1Very high15 Ų1566.9 Ų66.916%0.15532%0.323CS..PPolyproline II helixtrans-54.6121.7168.400000112.2K17 T62K17-G64 VanDerWaalsContact NZ-CA 3.3Å; T62-G64 PolarHBondContact O-N 3.32Å
65L95.4Very high94.1Very high11 Ų1160.5 Ų60.56%0.05830%0.295CS..BIsolated β-bridgetrans-70.7149.1173.9-60.8176.5000109.9G11 L12 A13 K63 Q69 L71 L100G11-L65 PolarHBondContact O-N 3Å; L12-L65 CarbonylContact C-O 3.52Å; L12-L65 VanDerWaalsContact CA-O 3.28Å; L12-L65 WeakPolarHBondContact CA-O 3.27Å; L12-L65 HydrophobicContact CD2-CB 4.21Å; L12-L65 VanDerWaalsContact CD2-O 3.22Å; L12-L65 WeakPolarHBondContact CD2-O 3.43Å; A13-L65 PolarHBondContact N-O 3.36Å; K63-L65 PolarHBondContact O-N 3.43Å; L65-Q69 HydrophobicContact CD2-CB 4.4Å; L65-L71 HydrophobicContact CD1-CB 4.45Å; L65-L100 HydrophobicContact CD1-CD1 4.24Å; L65-L100 HydrophobicContact CD1-CD2 3.91Å
66Q94.4Very high94.1Very high117 Ų11758.5 Ų58.555%0.54729%0.285SS..PPolyproline II helixtrans-89.3164.3159.5-59.3177-6.200109.5T68 Q69Q66-T68 VanDerWaalsContact C-N 3.26Å; Q66-T68 PolarHBondContact O-N 3.22Å; Q66-Q69 HydrophobicContact CB-CB 4.42Å; Q66-Q69 HydrophobicContact CB-CG 3.94Å; Q66-Q69 VanDerWaalsContact N-OE1 3.16Å; Q66-Q69 WeakPolarHBondContact O-CB 3.43Å; Q66-Q69 PolarHBondContact O-N 3.34Å
67D85.9Confident93.7Very high79 Ų7958.6 Ų58.642%0.42230%0.297SS..THydrogen-bonded Turntrans-53.1-43.9-173.2-62.2-8000113.7L12 Q69 E92 K96L12-D67 WeakPolarHBondContact CD1-OD1 3Å; D67-Q69 VanDerWaalsContact C-N 3.34Å; D67-E92 VanDerWaalsContact CG-CD 3.46Å; D67-E92 VanDerWaalsContact CG-OE1 3.24Å; D67-K96 PolarHBondContact O-NZ 3.29Å
68T88.8Confident93.3Very high126 Ų12661.1 Ų61.177%0.77331%0.312SS*.THydrogen-bonded Turntrans-86.3-3.9-177.558.80000113.5Q66Q66-T68 VanDerWaalsContact C-N 3.26Å; Q66-T68 PolarHBondContact O-N 3.22Å
69Q92.9Very high93.2Very high72 Ų7255.6 Ų55.634%0.33629%0.292SS..PPolyproline II helixtrans-91.4131.1-176.1-71.7179.2-8.100112L65 Q66 D67 K96L65-Q69 HydrophobicContact CD2-CB 4.4Å; Q66-Q69 HydrophobicContact CB-CB 4.42Å; Q66-Q69 HydrophobicContact CB-CG 3.94Å; Q66-Q69 VanDerWaalsContact N-OE1 3.16Å; Q66-Q69 WeakPolarHBondContact O-CB 3.43Å; Q66-Q69 PolarHBondContact O-N 3.34Å; D67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-K96 VanDerWaalsContact O-CE 3.28Å; Q69-K96 WeakPolarHBondContact O-CE 3.24Å; Q69-K96 PolarHBondContact O-NZ 3.37Å
70D94.1Very high93Very high96 Ų9659.2 Ų59.251%0.51331%0.311SS..PPolyproline II helixtrans-82.5154.8171.6-62.2-27.6000111.2F99D70-F99 WeakPolarHBondContact OD1-CE1 3.47Å; D70-F99 WeakPolarHBondContact OD1-CZ 3.41Å
71L95.2Very high92.9Very high4 Ų457 Ų572%0.02130%0.302CS..PPolyproline II helixtrans-67.2134169.1-174.772000108.8V8 C10 T62 L65 K73 Y75 Y76 F82 L100V8-L71 HydrophobicContact CG1-CD2 4.35Å; C10-L71 HydrophobicContact CB-CD1 3.81Å; C10-L71 HydrophobicContact CB-CD2 4.41Å; T62-L71 HydrophobicContact CG2-CD1 4.42Å; L65-L71 HydrophobicContact CD1-CB 4.45Å; L71-K73 PolarHBondContact O-N 3.27Å; L71-Y75 HydrophobicContact CD1-CD2 3.78Å; L71-Y75 HydrophobicContact CD1-CE2 4.42Å; L71-Y75 HydrophobicContact CD1-CG 4.31Å; L71-Y75 HydrophobicContact CD2-CG 4.44Å; L71-Y75 HydrophobicContact CG-CD2 3.95Å; L71-Y75 HydrophobicContact CG-CG 4.3Å; L71-Y76 HydrophobicContact CB-CE2 4.02Å; L71-Y76 WeakPolarHBondContact CB-OH 3.22Å; L71-Y76 HydrophobicContact CD2-CD1 4.47Å; L71-Y76 HydrophobicContact CD2-CE1 4Å; L71-Y76 HydrophobicContact CD2-CE2 4.38Å; L71-Y76 HydrophobicContact CG-CE2 4.46Å; L71-Y76 VanDerWaalsContact O-CE2 3.28Å; L71-Y76 WeakPolarHBondContact O-CE2 3.4Å; L71-F82 HydrophobicContact CD2-CE1 4.05Å; L71-L100 HydrophobicContact CB-CD2 4.05Å
72P94.9Very high92.9Very high55 Ų5557 Ų5736%0.35730%0.302SS..PPolyproline II helixtrans-54.2134.7178.1-30.336.3000113.3H74 Y75P72-H74 VanDerWaalsContact CB-CE1 3.41Å; P72-H74 WeakPolarHBondContact CB-CE1 3.43Å; P72-H74 WeakPolarHBondContact CB-ND1 3.33Å; P72-H74 PolarHBondContact O-N 2.92Å; P72-Y75 HydrophobicContact CB-CD2 3.88Å; P72-Y75 HydrophobicContact CB-CE2 4.14Å; P72-Y75 HydrophobicContact CG-CD2 4.12Å; P72-Y75 HydrophobicContact CG-CE2 4.07Å; P72-Y75 WeakPolarHBondContact O-CB 3.42Å; P72-Y75 PolarHBondContact O-N 3.21Å
73K92.2Very high93Very high182 Ų18256.9 Ų56.979%0.79130%0.301SS*.Hα-helixtrans-54.7-30.6-170.1-70.7-173.1179.5-179.20115.1L71 Y75 Y76L71-K73 PolarHBondContact O-N 3.27Å; K73-Y75 VanDerWaalsContact C-N 3.28Å; K73-Y75 PolarHBondContact O-N 3.29Å; K73-Y76 PolarHBondContact O-N 2.98Å
74H91.5Very high93.2Very high93 Ų9352.8 Ų52.843%0.43128%0.284SS..Hα-helixtrans-65.2-31-178.468.6-95.1000112.2P72 Y76 S77 V78P72-H74 VanDerWaalsContact CB-CE1 3.41Å; P72-H74 WeakPolarHBondContact CB-CE1 3.43Å; P72-H74 WeakPolarHBondContact CB-ND1 3.33Å; P72-H74 PolarHBondContact O-N 2.92Å; H74-Y76 VanDerWaalsContact C-N 3.34Å; H74-Y76 PolarHBondContact O-N 3.23Å; H74-S77 WeakPolarHBondContact O-CB 3.44Å; H74-S77 PolarHBondContact O-N 3.12Å; H74-V78 WeakPolarHBondContact O-CG2 3.4Å; H74-V78 PolarHBondContact O-N 3.34Å; H74-V78 VanDerWaalsContact O-N 3.07Å
75Y93.8Very high93.4Very high8 Ų852.1 Ų52.13%0.03128%0.277CS..Hα-helixtrans-62.4-40.5176.5-74.6-60.2000112.3V8 E40 Y60 T62 L71 P72 K73 S77 V78 A79V8-Y75 HydrophobicContact CB-CD1 4.43Å; V8-Y75 HydrophobicContact CG1-CD1 3.88Å; V8-Y75 HydrophobicContact CG1-CG 4.09Å; V8-Y75 HydrophobicContact CG2-CD1 3.63Å; V8-Y75 HydrophobicContact CG2-CE1 4.49Å; V8-Y75 HydrophobicContact CG2-CG 4.31Å; E40-Y75 WeakPolarHBondContact CG-OH 3.45Å; E40-Y75 PolarHBondContact OE1-OH 2.99Å; Y60-Y75 HydrophobicContact CD1-CE1 4.42Å; T62-Y75 HydrophobicContact CG2-CD1 4.29Å; T62-Y75 HydrophobicContact CG2-CD2 4.37Å; T62-Y75 HydrophobicContact CG2-CE1 3.79Å; T62-Y75 HydrophobicContact CG2-CE2 3.89Å; L71-Y75 HydrophobicContact CD1-CD2 3.78Å; L71-Y75 HydrophobicContact CD1-CE2 4.42Å; L71-Y75 HydrophobicContact CD1-CG 4.31Å; L71-Y75 HydrophobicContact CD2-CG 4.44Å; L71-Y75 HydrophobicContact CG-CD2 3.95Å; L71-Y75 HydrophobicContact CG-CG 4.3Å; P72-Y75 HydrophobicContact CB-CD2 3.88Å; P72-Y75 HydrophobicContact CB-CE2 4.14Å; P72-Y75 HydrophobicContact CG-CD2 4.12Å; P72-Y75 HydrophobicContact CG-CE2 4.07Å; P72-Y75 WeakPolarHBondContact O-CB 3.42Å; P72-Y75 PolarHBondContact O-N 3.21Å; K73-Y75 VanDerWaalsContact C-N 3.28Å; K73-Y75 PolarHBondContact O-N 3.29Å; Y75-S77 PolarHBondContact O-N 2.77Å; Y75-V78 PolarHBondContact O-N 2.81Å; Y75-A79 WeakPolarHBondContact O-CB 3.43Å; Y75-A79 PolarHBondContact O-N 3.03Å
76Y91.7Very high93.6Very high19 Ų1951.6 Ų51.68%0.07527%0.274CS..Hα-helixtrans-63.2-25.3173.9-56.6-72.1000113.5L71 K73 H74 F82 E103 I104 R108L71-Y76 HydrophobicContact CB-CE2 4.02Å; L71-Y76 WeakPolarHBondContact CB-OH 3.22Å; L71-Y76 HydrophobicContact CD2-CD1 4.47Å; L71-Y76 HydrophobicContact CD2-CE1 4Å; L71-Y76 HydrophobicContact CD2-CE2 4.38Å; L71-Y76 HydrophobicContact CG-CE2 4.46Å; L71-Y76 VanDerWaalsContact O-CE2 3.28Å; L71-Y76 WeakPolarHBondContact O-CE2 3.4Å; K73-Y76 PolarHBondContact O-N 2.98Å; H74-Y76 VanDerWaalsContact C-N 3.34Å; H74-Y76 PolarHBondContact O-N 3.23Å; Y76-F82 HydrophobicContact CD1-CZ 4.11Å; Y76-E103 HydrophobicContact CE1-CB 4.27Å; Y76-E103 WeakPolarHBondContact OH-CB 2.98Å; Y76-I104 HydrophobicContact CD1-CG1 3.94Å; Y76-I104 HydrophobicContact CE1-CG1 3.66Å; Y76-R108 PolarHBondContact O-NE 3.28Å; Y76-R108 PolarHBondContact O-NH2 2.94Å
77S87.5Confident93.8Very high102 Ų10246.2 Ų46.271%0.71325%0.249SC*.Hα-helixtrans-87.2-33.2-179.3-60.10000112.8H74 Y75H74-S77 WeakPolarHBondContact O-CB 3.44Å; H74-S77 PolarHBondContact O-N 3.12Å; Y75-S77 PolarHBondContact O-N 2.77Å
78V87Confident94.4Very high52 Ų5242.4 Ų42.432%0.31523%0.229SC..Hα-helixtrans-93.2-19.9-173.3-58.80000114.6K6 H74 Y75K6-V78 VanDerWaalsContact CD-O 3.3Å; K6-V78 WeakPolarHBondContact CD-O 3.5Å; H74-V78 WeakPolarHBondContact O-CG2 3.4Å; H74-V78 PolarHBondContact O-N 3.34Å; H74-V78 VanDerWaalsContact O-N 3.07Å; Y75-V78 PolarHBondContact O-N 2.81Å
79A93.2Very high94.8Very high2 Ų238 Ų382%0.01720%0.201CC..  trans-71.8135.5-172.900000113.2V8 Y75 F82 R108V8-A79 HydrophobicContact CB-CB 4.4Å; V8-A79 HydrophobicContact CG2-CB 3.77Å; Y75-A79 WeakPolarHBondContact O-CB 3.43Å; Y75-A79 PolarHBondContact O-N 3.03Å; A79-F82 HydrophobicContact CB-CD2 4.26Å; A79-F82 HydrophobicContact CB-CE1 4.04Å; A79-F82 HydrophobicContact CB-CE2 3.57Å; A79-F82 HydrophobicContact CB-CZ 3.42Å; A79-F82 VanDerWaalsContact CB-CZ 3.42Å; A79-R108 VanDerWaalsContact O-CZ 3.24Å; A79-R108 PolarHBondContact O-NH1 3.41Å; A79-R108 PolarHBondContact O-NH2 3.46Å
80D93.1Very high95.1Very high76 Ų7635.9 Ų35.941%0.40619%0.194SC..SBendtrans-85.7-28.2162-59.9-57.2000110.5C5 K6 L168C5-D80 WeakPolarHBondContact CA-OD2 3.45Å; C5-D80 HydrophobicContact CB-CB 4.22Å; K6-D80 PolarHBondContact N-OD2 2.71Å; K6-D80 WeakPolarHBondContact O-CA 3.48Å; K6-D80 WeakPolarHBondContact O-CB 3.47Å; K6-D80 PolarHBondContact O-N 3.18Å; D80-L168 HydrophobicContact CB-CD2 4.19Å; D80-L168 WeakPolarHBondContact O-CD2 3.39Å
81G95.6Very high95.3Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-153.3171.7173.800000114.1K6 V7 V8 T114K6-G81 PolarHBondContact O-N 3.3Å; V7-G81 WeakPolarHBondContact CA-O 3.39Å; V8-G81 PolarHBondContact N-O 2.84Å; G81-T114 CarbonylContact C-O 3.58Å; G81-T114 WeakPolarHBondContact CA-O 3.31Å
82F97.8Very high95.4Very high0 Ų039.4 Ų39.40%021%0.209CC..EExtended strand (participates in β ladder)trans-127.8144178.3-69.9-90.6000112.2V8 L71 Y76 A79 L84 I104 V113 T114 I115 I116V8-F82 HydrophobicContact CB-CD1 3.74Å; V8-F82 HydrophobicContact CB-CE1 3.69Å; V8-F82 HydrophobicContact CG1-CD1 4.1Å; V8-F82 HydrophobicContact CG1-CE1 3.97Å; V8-F82 HydrophobicContact CG2-CE1 4.25Å; V8-F82 WeakPolarHBondContact O-CA 3.45Å; L71-F82 HydrophobicContact CD2-CE1 4.05Å; Y76-F82 HydrophobicContact CD1-CZ 4.11Å; A79-F82 HydrophobicContact CB-CD2 4.26Å; A79-F82 HydrophobicContact CB-CE1 4.04Å; A79-F82 HydrophobicContact CB-CE2 3.57Å; A79-F82 HydrophobicContact CB-CZ 3.42Å; A79-F82 VanDerWaalsContact CB-CZ 3.42Å; F82-L84 HydrophobicContact CB-CD2 4.16Å; F82-I104 HydrophobicContact CB-CD1 4.03Å; F82-I104 HydrophobicContact CD1-CD1 3.85Å; F82-I104 HydrophobicContact CD1-CG1 4.47Å; F82-I104 HydrophobicContact CD2-CD1 3.81Å; F82-I104 HydrophobicContact CD2-CG1 4.22Å; F82-I104 HydrophobicContact CD2-CG2 4.03Å; F82-I104 HydrophobicContact CE1-CD1 4.27Å; F82-I104 HydrophobicContact CE1-CG1 4.42Å; F82-I104 HydrophobicContact CE2-CD1 4.24Å; F82-I104 HydrophobicContact CE2-CG1 4.17Å; F82-I104 HydrophobicContact CE2-CG2 3.96Å; F82-I104 HydrophobicContact CG-CD1 3.61Å; F82-I104 HydrophobicContact CG-CG1 4.39Å; F82-I104 HydrophobicContact CZ-CD1 4.47Å; F82-I104 HydrophobicContact CZ-CG1 4.28Å; F82-V113 HydrophobicContact CD2-CG1 3.59Å; F82-V113 HydrophobicContact CE2-CG1 3.85Å; F82-T114 PolarHBondContact N-O 2.97Å; F82-I115 HydrophobicContact CB-CG1 4.34Å; F82-I115 HydrophobicContact CB-CG2 4.37Å; F82-I115 WeakPolarHBondContact O-CA 3.39Å; F82-I116 PolarHBondContact O-N 2.83Å
83V98.7Very high95.6Very high0 Ų036.8 Ų36.80%019%0.192CC..EExtended strand (participates in β ladder)trans-114.6110.4163.5-177.60000107.1V7 V8 V9 C10 V85 I116 L118 F161 L164V7-V83 HydrophobicContact CG1-CG2 3.64Å; V8-V83 PolarHBondContact O-N 2.92Å; V9-V83 WeakPolarHBondContact CA-O 3.47Å; V9-V83 HydrophobicContact CG1-CB 4.29Å; V9-V83 HydrophobicContact CG1-CG1 4.39Å; V9-V83 HydrophobicContact CG2-CB 4.2Å; V9-V83 HydrophobicContact CG2-CG2 4.48Å; C10-V83 PolarHBondContact N-O 2.78Å; V83-V85 HydrophobicContact CG1-CG2 3.96Å; V83-I116 WeakPolarHBondContact CA-O 3.45Å; V83-I116 HydrophobicContact CB-CG1 4.28Å; V83-I116 HydrophobicContact CG1-CD1 4.3Å; V83-I116 HydrophobicContact CG1-CG1 4.22Å; V83-I116 HydrophobicContact CG2-CD1 3.95Å; V83-I116 HydrophobicContact CG2-CG1 3.79Å; V83-L118 HydrophobicContact CG1-CD1 3.56Å; V83-L118 HydrophobicContact CG1-CG 3.85Å; V83-F161 HydrophobicContact CG2-CE1 4.42Å; V83-F161 HydrophobicContact CG2-CZ 4.49Å; V83-L164 HydrophobicContact CG2-CD2 3.63Å
84L98.8Very high95.9Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-92.9124.2175.9-49.6-176.2000108.8C10 F82 I97 L100 K101 I104 I115 I116 V117 L118C10-L84 WeakPolarHBondContact O-CA 3.49Å; C10-L84 WeakPolarHBondContact SG-CD2 3.28Å; F82-L84 HydrophobicContact CB-CD2 4.16Å; L84-I97 HydrophobicContact CB-CD1 3.82Å; L84-I97 HydrophobicContact CB-CG2 3.84Å; L84-I97 HydrophobicContact CD1-CG2 3.78Å; L84-I97 HydrophobicContact CG-CG2 4.48Å; L84-L100 HydrophobicContact CD1-CB 4.45Å; L84-L100 HydrophobicContact CD2-CB 4.34Å; L84-K101 HydrophobicContact CD1-CB 4.2Å; L84-I104 HydrophobicContact CD1-CD1 4.31Å; L84-I104 HydrophobicContact CD2-CD1 3.81Å; L84-I115 HydrophobicContact CD1-CG2 3.9Å; L84-I115 HydrophobicContact CG-CG2 3.95Å; L84-I116 PolarHBondContact N-O 2.89Å; L84-V117 HydrophobicContact CB-CG2 4.28Å; L84-V117 HydrophobicContact CD1-CG2 4.45Å; L84-V117 CarbonylContact O-C 3.58Å; L84-V117 VanDerWaalsContact O-CA 3.31Å; L84-V117 WeakPolarHBondContact O-CA 3.45Å; L84-L118 PolarHBondContact O-N 2.8Å
85V98.9Very high96.2Very high0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-116.3122.6-174.9-170.90000110.4V9 C10 G11 V15 K17 I20 V83 I97 L118 N120V9-V85 HydrophobicContact CG1-CG2 3.86Å; C10-V85 PolarHBondContact O-N 3.25Å; G11-V85 WeakPolarHBondContact CA-O 3.47Å; V15-V85 HydrophobicContact CB-CG1 4.2Å; V15-V85 HydrophobicContact CG2-CB 3.95Å; V15-V85 HydrophobicContact CG2-CG1 3.73Å; V15-V85 WeakPolarHBondContact CG2-O 3.28Å; K17-V85 HydrophobicContact CG-CB 4.02Å; K17-V85 HydrophobicContact CG-CG1 4.48Å; K17-V85 HydrophobicContact CG-CG2 4.1Å; I20-V85 HydrophobicContact CD1-CG1 3.64Å; I20-V85 HydrophobicContact CD1-CG2 4.3Å; V83-V85 HydrophobicContact CG1-CG2 3.96Å; V85-I97 WeakPolarHBondContact O-CD1 3.49Å; V85-L118 WeakPolarHBondContact CA-O 3.49Å; V85-L118 HydrophobicContact CG2-CB 4.47Å; V85-N120 HydrophobicContact CG1-CB 4.26Å
86Y98.9Very high96.4Very high0 Ų031.4 Ų31.40%017%0.168CC..EExtended strand (participates in β ladder)trans-117.4172.1164.775-81.6000109.5V88 S93 F94 I97 V117 L118 N120 V130 A135 L146Y86-V88 HydrophobicContact CE2-CG1 4.34Å; Y86-S93 WeakPolarHBondContact CB-OG 3.3Å; Y86-F94 AromaticContact CD1-CD2 3.84Å; Y86-F94 HydrophobicContact CD1-CD2 3.84Å; Y86-F94 HydrophobicContact CD1-CE2 4.48Å; Y86-F94 HydrophobicContact CD2-CB 3.88Å; Y86-F94 AromaticContact CD2-CD2 3.82Å; Y86-F94 HydrophobicContact CD2-CD2 3.82Å; Y86-F94 HydrophobicContact CD2-CG 4.3Å; Y86-F94 AromaticContact CE1-CD2 3.78Å; Y86-F94 HydrophobicContact CE1-CD2 3.78Å; Y86-F94 HydrophobicContact CE1-CE2 4.09Å; Y86-F94 HydrophobicContact CE2-CB 4.4Å; Y86-F94 AromaticContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CE2-CG 4.44Å; Y86-F94 HydrophobicContact CG-CB 4.21Å; Y86-F94 AromaticContact CG-CD2 3.86Å; Y86-F94 HydrophobicContact CG-CD2 3.86Å; Y86-F94 AromaticContact CZ-CD2 3.76Å; Y86-I97 HydrophobicContact CD1-CG1 4.06Å; Y86-I97 HydrophobicContact CG-CG1 4.22Å; Y86-V117 HydrophobicContact CD1-CG1 3.93Å; Y86-V117 HydrophobicContact CE1-CG1 3.93Å; Y86-L118 WeakPolarHBondContact CD1-O 3.35Å; Y86-L118 PolarHBondContact N-O 2.86Å; Y86-N120 WeakPolarHBondContact O-CB 3.45Å; Y86-N120 PolarHBondContact O-N 3.02Å; Y86-V130 HydrophobicContact CD2-CG2 4.33Å; Y86-V130 HydrophobicContact CE2-CB 4.1Å; Y86-V130 HydrophobicContact CE2-CG1 3.86Å; Y86-V130 HydrophobicContact CE2-CG2 4.19Å; Y86-A135 WeakPolarHBondContact OH-CB 3.31Å; Y86-L146 HydrophobicContact CE1-CD1 3.92Å; Y86-L146 HydrophobicContact CE1-CG 4.42Å
87S98.6Very high96.8Very high4 Ų430.5 Ų30.53%0.02816%0.164CC..EExtended strand (participates in β ladder)trans-117.9140.3170.365.20000110.9D89 S90 S93 N120S87-D89 WeakPolarHBondContact CB-OD1 3.42Å; S87-D89 PolarHBondContact O-N 3.27Å; S87-D89 VanDerWaalsContact O-N 3.15Å; S87-D89 PolarHBondContact OG-OD1 3.04Å; S87-S90 PolarHBondContact O-N 3.39Å; S87-S93 PolarHBondContact N-OG 2.81Å; S87-S93 PolarHBondContact O-OG 3.16Å; S87-N120 WeakPolarHBondContact CA-O 3.47Å
88V98.6Very high97.2Very high0 Ų027.7 Ų27.70%014%0.141CC..THydrogen-bonded Turntrans-64.4-21.1-174.4-57.90000112.9Y86 S90 N120 K121 Q129 V130 E148Y86-V88 HydrophobicContact CE2-CG1 4.34Å; V88-S90 VanDerWaalsContact C-N 3.31Å; V88-N120 PolarHBondContact N-O 2.99Å; V88-K121 HydrophobicContact CG2-CB 4.47Å; V88-K121 WeakPolarHBondContact CG2-O 3.38Å; V88-Q129 PolarHBondContact O-N 3.1Å; V88-V130 PolarHBondContact O-N 3.07Å; V88-E148 HydrophobicContact CG1-CG 4.39Å
89D98.5Very high97.7Very high33 Ų3328.5 Ų28.518%0.17614%0.14CC..THydrogen-bonded Turntrans-84.43.5176.467.7-25.3000113.7S87 K121 L124 L127 Q129S87-D89 WeakPolarHBondContact CB-OD1 3.42Å; S87-D89 PolarHBondContact O-N 3.27Å; S87-D89 VanDerWaalsContact O-N 3.15Å; S87-D89 PolarHBondContact OG-OD1 3.04Å; D89-K121 IonicContact OD1-NZ 2.64Å; D89-K121 PolarHBondContact OD1-NZ 2.9Å; D89-K121 IonicContact OD2-NZ 3.12Å; D89-K121 PolarHBondContact OD2-NZ 3.38Å; D89-L124 HydrophobicContact CB-CD1 4.35Å; D89-L127 WeakPolarHBondContact CA-O 3.35Å; D89-L127 HydrophobicContact CB-CB 4.15Å; D89-Q129 PolarHBondContact O-NE2 3.45Å; D89-Q129 VanDerWaalsContact O-NE2 3.13Å; D89-Q129 PolarHBondContact O-OE1 3.01Å
90S98.4Very high97.9Very high28 Ų2828.4 Ų28.420%0.19614%0.14CC..  trans-138.8102.8-179.31740000111.9S87 V88 E92 S93 F94S87-S90 PolarHBondContact O-N 3.39Å; V88-S90 VanDerWaalsContact C-N 3.31Å; S90-E92 PolarHBondContact O-N 2.87Å; S90-S93 WeakPolarHBondContact CB-OG 3.46Å; S90-S93 PolarHBondContact O-N 3.02Å; S90-S93 PolarHBondContact O-OG 2.93Å; S90-S93 WeakPolarHBondContact OG-CB 3.47Å; S90-S93 PolarHBondContact OG-N 2.55Å; S90-S93 VanDerWaalsContact OG-N 3.12Å; S90-F94 PolarHBondContact O-N 2.93Å
91L98.3Very high98.1Very high71 Ų7125.4 Ų25.437%0.37212%0.123SC..Hα-helixtrans-61.7-33.2174.5179.261.8000112.4F94 K95 Q129 V130L91-F94 PolarHBondContact O-N 2.92Å; L91-K95 WeakPolarHBondContact O-CG 3.28Å; L91-K95 PolarHBondContact O-N 2.97Å; L91-Q129 HydrophobicContact CB-CB 4.18Å; L91-Q129 VanDerWaalsContact N-OE1 3.15Å; L91-V130 HydrophobicContact CD1-CG2 4.34Å
92E98.3Very high98Very high102 Ų10229.8 Ų29.848%0.47714%0.142SC..Hα-helixtrans-62.5-43.6176.6-169.8178.597.600111.7L12 D67 S90 F94 K95 K96L12-E92 HydrophobicContact CD1-CB 4.5Å; L12-E92 HydrophobicContact CD1-CG 4.07Å; D67-E92 VanDerWaalsContact CG-CD 3.46Å; D67-E92 VanDerWaalsContact CG-OE1 3.24Å; S90-E92 PolarHBondContact O-N 2.87Å; E92-F94 VanDerWaalsContact C-N 3.27Å; E92-F94 PolarHBondContact O-N 3.44Å; E92-K95 WeakPolarHBondContact O-CB 3.44Å; E92-K95 PolarHBondContact O-N 3.28Å; E92-K96 PolarHBondContact O-N 3Å
93S98.6Very high97.8Very high1 Ų132 Ų321%0.00715%0.153CC..Hα-helixtrans-61.6-36.7175.477.70000112.5L12 Y86 S87 S90 K96 I97L12-S93 VanDerWaalsContact CD1-CA 3.47Å; Y86-S93 WeakPolarHBondContact CB-OG 3.3Å; S87-S93 PolarHBondContact N-OG 2.81Å; S87-S93 PolarHBondContact O-OG 3.16Å; S90-S93 WeakPolarHBondContact CB-OG 3.46Å; S90-S93 PolarHBondContact O-N 3.02Å; S90-S93 PolarHBondContact O-OG 2.93Å; S90-S93 WeakPolarHBondContact OG-CB 3.47Å; S90-S93 PolarHBondContact OG-N 2.55Å; S90-S93 VanDerWaalsContact OG-N 3.12Å; S93-K96 WeakPolarHBondContact O-CB 3.5Å; S93-K96 PolarHBondContact O-N 3.44Å; S93-I97 WeakPolarHBondContact O-CG1 3.37Å; S93-I97 PolarHBondContact O-N 3.01Å
94F98.6Very high97.6Very high24 Ų2432.1 Ų32.111%0.10515%0.153CC..Hα-helixtrans-69.4-41.6175.4-175.4-107.9000112.4Y86 S90 L91 E92 K96 I97 D98 V130 A135 W138 L146Y86-F94 AromaticContact CD1-CD2 3.84Å; Y86-F94 HydrophobicContact CD1-CD2 3.84Å; Y86-F94 HydrophobicContact CD1-CE2 4.48Å; Y86-F94 HydrophobicContact CD2-CB 3.88Å; Y86-F94 AromaticContact CD2-CD2 3.82Å; Y86-F94 HydrophobicContact CD2-CD2 3.82Å; Y86-F94 HydrophobicContact CD2-CG 4.3Å; Y86-F94 AromaticContact CE1-CD2 3.78Å; Y86-F94 HydrophobicContact CE1-CD2 3.78Å; Y86-F94 HydrophobicContact CE1-CE2 4.09Å; Y86-F94 HydrophobicContact CE2-CB 4.4Å; Y86-F94 AromaticContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CE2-CG 4.44Å; Y86-F94 HydrophobicContact CG-CB 4.21Å; Y86-F94 AromaticContact CG-CD2 3.86Å; Y86-F94 HydrophobicContact CG-CD2 3.86Å; Y86-F94 AromaticContact CZ-CD2 3.76Å; S90-F94 PolarHBondContact O-N 2.93Å; L91-F94 PolarHBondContact O-N 2.92Å; E92-F94 VanDerWaalsContact C-N 3.27Å; E92-F94 PolarHBondContact O-N 3.44Å; F94-K96 PolarHBondContact O-N 3.37Å; F94-I97 WeakPolarHBondContact O-CB 3.34Å; F94-I97 PolarHBondContact O-N 3.33Å; F94-D98 PolarHBondContact O-N 3.13Å; F94-V130 HydrophobicContact CB-CG1 4.29Å; F94-V130 HydrophobicContact CB-CG2 3.74Å; F94-V130 HydrophobicContact CD1-CG1 4.15Å; F94-V130 HydrophobicContact CD2-CG1 4.13Å; F94-V130 HydrophobicContact CG-CG1 3.92Å; F94-V130 HydrophobicContact CG-CG2 4.28Å; F94-A135 HydrophobicContact CE2-CB 3.89Å; F94-A135 HydrophobicContact CZ-CB 4.02Å; F94-W138 HydrophobicContact CE1-CG 4.43Å; F94-W138 HydrophobicContact CE2-CD2 4.35Å; F94-W138 AromaticContact CE2-CE3 3.94Å; F94-W138 HydrophobicContact CE2-CE3 3.94Å; F94-W138 HydrophobicContact CE2-CZ3 4.43Å; F94-W138 HydrophobicContact CZ-CB 3.97Å; F94-W138 AromaticContact CZ-CD2 3.79Å; F94-W138 HydrophobicContact CZ-CD2 3.79Å; F94-W138 AromaticContact CZ-CE3 3.79Å; F94-W138 HydrophobicContact CZ-CE3 3.79Å; F94-W138 AromaticContact CZ-CG 3.86Å; F94-W138 HydrophobicContact CZ-CG 3.86Å; F94-L146 HydrophobicContact CE2-CD1 4.36Å
95K98.2Very high97.2Very high134 Ų13436 Ų3658%0.58317%0.174SC*.Hα-helixtrans-58.2-34.7172-71.1173-179.8172.50111.7L91 E92 I97 D98 F99L91-K95 WeakPolarHBondContact O-CG 3.28Å; L91-K95 PolarHBondContact O-N 2.97Å; E92-K95 WeakPolarHBondContact O-CB 3.44Å; E92-K95 PolarHBondContact O-N 3.28Å; K95-I97 VanDerWaalsContact C-N 3.29Å; K95-I97 PolarHBondContact O-N 3.33Å; K95-D98 PolarHBondContact O-N 3.33Å; K95-F99 PolarHBondContact O-N 3.16Å
96K98.3Very high96.8Very high12 Ų1242.9 Ų42.95%0.05220%0.204CC..Hα-helixtrans-64.7-33175.2-167.363.3170.2-179.30112.7L12 D67 Q69 E92 S93 F94 F99 L100L12-K96 HydrophobicContact CD1-CB 4.26Å; L12-K96 HydrophobicContact CD2-CB 4.04Å; L12-K96 HydrophobicContact CD2-CD 4.04Å; L12-K96 HydrophobicContact CD2-CG 3.65Å; L12-K96 HydrophobicContact CG-CB 3.82Å; L12-K96 HydrophobicContact CG-CG 3.9Å; D67-K96 PolarHBondContact O-NZ 3.29Å; Q69-K96 VanDerWaalsContact O-CE 3.28Å; Q69-K96 WeakPolarHBondContact O-CE 3.24Å; Q69-K96 PolarHBondContact O-NZ 3.37Å; E92-K96 PolarHBondContact O-N 3Å; S93-K96 WeakPolarHBondContact O-CB 3.5Å; S93-K96 PolarHBondContact O-N 3.44Å; F94-K96 PolarHBondContact O-N 3.37Å; K96-F99 HydrophobicContact CD-CD1 4.23Å; K96-F99 PolarHBondContact O-N 2.73Å; K96-L100 HydrophobicContact CG-CD1 4.11Å; K96-L100 HydrophobicContact CG-CG 4.33Å; K96-L100 WeakPolarHBondContact O-CB 3.45Å; K96-L100 VanDerWaalsContact O-CG 3.31Å; K96-L100 WeakPolarHBondContact O-CG 3.45Å; K96-L100 PolarHBondContact O-N 2.84Å
97I98.3Very high96.1Very high0 Ų045.4 Ų45.40%022%0.221CC..Hα-helixtrans-64-43.8175.6-53.8-54.2000111.3L84 V85 Y86 S93 F94 K95 F99 L100 K101 V117 W138L84-I97 HydrophobicContact CB-CD1 3.82Å; L84-I97 HydrophobicContact CB-CG2 3.84Å; L84-I97 HydrophobicContact CD1-CG2 3.78Å; L84-I97 HydrophobicContact CG-CG2 4.48Å; V85-I97 WeakPolarHBondContact O-CD1 3.49Å; Y86-I97 HydrophobicContact CD1-CG1 4.06Å; Y86-I97 HydrophobicContact CG-CG1 4.22Å; S93-I97 WeakPolarHBondContact O-CG1 3.37Å; S93-I97 PolarHBondContact O-N 3.01Å; F94-I97 WeakPolarHBondContact O-CB 3.34Å; F94-I97 PolarHBondContact O-N 3.33Å; K95-I97 VanDerWaalsContact C-N 3.29Å; K95-I97 PolarHBondContact O-N 3.33Å; I97-F99 VanDerWaalsContact C-N 3.31Å; I97-F99 PolarHBondContact O-N 2.56Å; I97-L100 PolarHBondContact O-N 2.89Å; I97-K101 VanDerWaalsContact O-CB 3.3Å; I97-K101 WeakPolarHBondContact O-CB 3.42Å; I97-K101 PolarHBondContact O-N 3.38Å; I97-V117 HydrophobicContact CG2-CG1 3.84Å; I97-V117 HydrophobicContact CG2-CG2 4.17Å; I97-W138 HydrophobicContact CB-CH2 4.47Å; I97-W138 HydrophobicContact CG2-CH2 3.49Å; I97-W138 VanDerWaalsContact CG2-CH2 3.49Å; I97-W138 HydrophobicContact CG2-CZ2 4.16Å; I97-W138 HydrophobicContact CG2-CZ3 4.07Å
98D97.4Very high94.8Very high42 Ų4248 Ų4823%0.22523%0.23CC..Hα-helixtrans-58.3-44.6175.6-179.567.5000111.6F94 K95 K102 W138F94-D98 PolarHBondContact O-N 3.13Å; K95-D98 PolarHBondContact O-N 3.33Å; D98-K102 WeakPolarHBondContact O-CG 3.26Å; D98-K102 PolarHBondContact O-N 2.8Å; D98-K102 IonicContact OD1-NZ 3.46Å; D98-K102 PolarHBondContact OD1-NZ 2.99Å; D98-K102 WeakPolarHBondContact OD2-CE 3.36Å; D98-K102 IonicContact OD2-NZ 2.69Å; D98-K102 PolarHBondContact OD2-NZ 3.01Å; D98-W138 HydrophobicContact CB-CZ2 4.32Å; D98-W138 PolarHBondContact OD1-NE1 3.2Å
99F97.1Very high93Very high70 Ų7055.2 Ų55.231%0.30727%0.269SS..Hα-helixtrans-61.3-51.5174.3176.5-96.4000112.4D70 K95 K96 I97 K101 K102 E103D70-F99 WeakPolarHBondContact OD1-CE1 3.47Å; D70-F99 WeakPolarHBondContact OD1-CZ 3.41Å; K95-F99 PolarHBondContact O-N 3.16Å; K96-F99 HydrophobicContact CD-CD1 4.23Å; K96-F99 PolarHBondContact O-N 2.73Å; I97-F99 VanDerWaalsContact C-N 3.31Å; I97-F99 PolarHBondContact O-N 2.56Å; F99-K101 VanDerWaalsContact C-N 3.32Å; F99-K101 PolarHBondContact O-N 3.49Å; F99-K102 PolarHBondContact O-N 2.94Å; F99-E103 HydrophobicContact CD1-CG 4.31Å; F99-E103 HydrophobicContact CE1-CG 3.78Å; F99-E103 HydrophobicContact CE2-CG 4.15Å; F99-E103 HydrophobicContact CZ-CG 3.69Å; F99-E103 PolarHBondContact O-N 3.28Å
100L97.1Very high90.7Very high0 Ų063.3 Ų63.30%030%0.303CS..Hα-helixtrans-60.6-41.2-179-74.8170.2000111.9L65 L71 L84 K96 I97 K102 E103 I104L65-L100 HydrophobicContact CD1-CD1 4.24Å; L65-L100 HydrophobicContact CD1-CD2 3.91Å; L71-L100 HydrophobicContact CB-CD2 4.05Å; L84-L100 HydrophobicContact CD1-CB 4.45Å; L84-L100 HydrophobicContact CD2-CB 4.34Å; K96-L100 HydrophobicContact CG-CD1 4.11Å; K96-L100 HydrophobicContact CG-CG 4.33Å; K96-L100 WeakPolarHBondContact O-CB 3.45Å; K96-L100 VanDerWaalsContact O-CG 3.31Å; K96-L100 WeakPolarHBondContact O-CG 3.45Å; K96-L100 PolarHBondContact O-N 2.84Å; I97-L100 PolarHBondContact O-N 2.89Å; L100-K102 PolarHBondContact O-N 2.88Å; L100-E103 PolarHBondContact O-N 2.83Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.35Å; L100-I104 PolarHBondContact O-N 3.11Å
101K96.2Very high89Confident12 Ų1269.9 Ų69.95%0.05233%0.328CS..Hα-helixtrans-58.8-47.5176.5175.452.7173.752.90111.3L84 I97 F99 E103 I104 D105 I115 W138 E142 V144L84-K101 HydrophobicContact CD1-CB 4.2Å; I97-K101 VanDerWaalsContact O-CB 3.3Å; I97-K101 WeakPolarHBondContact O-CB 3.42Å; I97-K101 PolarHBondContact O-N 3.38Å; F99-K101 VanDerWaalsContact C-N 3.32Å; F99-K101 PolarHBondContact O-N 3.49Å; K101-E103 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.02Å; K101-I104 PolarHBondContact O-N 3.36Å; K101-D105 VanDerWaalsContact NZ-CG 3.26Å; K101-D105 IonicContact NZ-OD1 2.86Å; K101-D105 PolarHBondContact NZ-OD1 3.22Å; K101-D105 VanDerWaalsContact NZ-OD1 3.12Å; K101-D105 IonicContact NZ-OD2 2.9Å; K101-D105 PolarHBondContact NZ-OD2 3.1Å; K101-D105 PolarHBondContact O-N 2.91Å; K101-I115 HydrophobicContact CD-CD1 3.64Å; K101-W138 HydrophobicContact CB-CZ2 4.3Å; K101-W138 HydrophobicContact CG-CZ2 4.48Å; K101-E142 HydrophobicContact CG-CB 4.47Å; K101-E142 HydrophobicContact CG-CG 4.35Å; K101-E142 WeakPolarHBondContact CG-OE2 3.49Å; K101-E142 IonicContact NZ-OE2 3.38Å; K101-E142 PolarHBondContact NZ-OE2 3.19Å; K101-V144 HydrophobicContact CD-CG1 4.2Å
102K94.6Very high87.8Confident93 Ų9376 Ų7640%0.40435%0.354SS..Hα-helixtrans-62-39.2176.8-70.8168.1179.3165.20112.4D98 F99 L100 D105 K106D98-K102 WeakPolarHBondContact O-CG 3.26Å; D98-K102 PolarHBondContact O-N 2.8Å; D98-K102 IonicContact OD1-NZ 3.46Å; D98-K102 PolarHBondContact OD1-NZ 2.99Å; D98-K102 WeakPolarHBondContact OD2-CE 3.36Å; D98-K102 IonicContact OD2-NZ 2.69Å; D98-K102 PolarHBondContact OD2-NZ 3.01Å; F99-K102 PolarHBondContact O-N 2.94Å; L100-K102 PolarHBondContact O-N 2.88Å; K102-D105 PolarHBondContact O-N 2.99Å; K102-K106 VanDerWaalsContact O-CG 3.28Å; K102-K106 WeakPolarHBondContact O-CG 3.27Å; K102-K106 PolarHBondContact O-N 2.87Å; K102-K106 VanDerWaalsContact O-N 3.08Å
103E93.8Very high87.2Confident47 Ų4772 Ų7222%0.2234%0.337CS..Hα-helixtrans-67.6-39.4176.2-69.9-58.8108.700112.3Y76 F99 L100 K101 D105 K106 S107Y76-E103 HydrophobicContact CE1-CB 4.27Å; Y76-E103 WeakPolarHBondContact OH-CB 2.98Å; F99-E103 HydrophobicContact CD1-CG 4.31Å; F99-E103 HydrophobicContact CE1-CG 3.78Å; F99-E103 HydrophobicContact CE2-CG 4.15Å; F99-E103 HydrophobicContact CZ-CG 3.69Å; F99-E103 PolarHBondContact O-N 3.28Å; L100-E103 PolarHBondContact O-N 2.83Å; K101-E103 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.02Å; E103-D105 PolarHBondContact O-N 2.89Å; E103-K106 PolarHBondContact O-N 3.04Å; E103-K106 IonicContact OE1-NZ 2.73Å; E103-K106 PolarHBondContact OE1-NZ 3.46Å; E103-S107 WeakPolarHBondContact O-CB 3.38Å; E103-S107 PolarHBondContact O-N 3.44Å
104I94.1Very high87Confident2 Ų273.2 Ų73.21%0.0135%0.345CS..Hα-helixtrans-60.4-47.2174.6-67164.6000110.3Y76 F82 L84 L100 K101 K106 S107 I115Y76-I104 HydrophobicContact CD1-CG1 3.94Å; Y76-I104 HydrophobicContact CE1-CG1 3.66Å; F82-I104 HydrophobicContact CB-CD1 4.03Å; F82-I104 HydrophobicContact CD1-CD1 3.85Å; F82-I104 HydrophobicContact CD1-CG1 4.47Å; F82-I104 HydrophobicContact CD2-CD1 3.81Å; F82-I104 HydrophobicContact CD2-CG1 4.22Å; F82-I104 HydrophobicContact CD2-CG2 4.03Å; F82-I104 HydrophobicContact CE1-CD1 4.27Å; F82-I104 HydrophobicContact CE1-CG1 4.42Å; F82-I104 HydrophobicContact CE2-CD1 4.24Å; F82-I104 HydrophobicContact CE2-CG1 4.17Å; F82-I104 HydrophobicContact CE2-CG2 3.96Å; F82-I104 HydrophobicContact CG-CD1 3.61Å; F82-I104 HydrophobicContact CG-CG1 4.39Å; F82-I104 HydrophobicContact CZ-CD1 4.47Å; F82-I104 HydrophobicContact CZ-CG1 4.28Å; L84-I104 HydrophobicContact CD1-CD1 4.31Å; L84-I104 HydrophobicContact CD2-CD1 3.81Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.35Å; L100-I104 PolarHBondContact O-N 3.11Å; K101-I104 PolarHBondContact O-N 3.36Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 PolarHBondContact O-N 3.35Å; I104-S107 PolarHBondContact O-N 3.19Å; I104-S107 VanDerWaalsContact O-N 3.16Å; I104-S107 PolarHBondContact O-OG 2.91Å; I104-I115 HydrophobicContact CB-CD1 4.26Å; I104-I115 HydrophobicContact CD1-CD1 4.25Å; I104-I115 HydrophobicContact CG2-CD1 3.66Å; I104-I115 HydrophobicContact CG2-CG1 4.44Å
105D91.4Very high86.9Confident82 Ų8272.8 Ų72.844%0.43934%0.343SS..Hα-helixtrans-61.1-41.9179.5-69.8-11000112.2K101 K102 E103 S107K101-D105 VanDerWaalsContact NZ-CG 3.26Å; K101-D105 IonicContact NZ-OD1 2.86Å; K101-D105 PolarHBondContact NZ-OD1 3.22Å; K101-D105 VanDerWaalsContact NZ-OD1 3.12Å; K101-D105 IonicContact NZ-OD2 2.9Å; K101-D105 PolarHBondContact NZ-OD2 3.1Å; K101-D105 PolarHBondContact O-N 2.91Å; K102-D105 PolarHBondContact O-N 2.99Å; E103-D105 PolarHBondContact O-N 2.89Å; D105-S107 VanDerWaalsContact C-N 3.3Å; D105-S107 PolarHBondContact O-N 3.28Å
106K90.1Very high86.9Confident144 Ų14466.5 Ų66.563%0.62632%0.316SS*.Hα-helixtrans-66.2-31.8176.5-71.3172.5-165.6167.80113K102 E103 I104 R108K102-K106 VanDerWaalsContact O-CG 3.28Å; K102-K106 WeakPolarHBondContact O-CG 3.27Å; K102-K106 PolarHBondContact O-N 2.87Å; K102-K106 VanDerWaalsContact O-N 3.08Å; E103-K106 PolarHBondContact O-N 3.04Å; E103-K106 IonicContact OE1-NZ 2.73Å; E103-K106 PolarHBondContact OE1-NZ 3.46Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 PolarHBondContact O-N 3.35Å; K106-R108 VanDerWaalsContact C-N 3.27Å; K106-R108 PolarHBondContact O-N 2.83Å
107S84Confident86.9Confident53 Ų5365.9 Ų65.937%0.37131%0.313SS..Hα-helixtrans-75.5-11.9-17473.60000114.3E103 I104 D105E103-S107 WeakPolarHBondContact O-CB 3.38Å; E103-S107 PolarHBondContact O-N 3.44Å; I104-S107 PolarHBondContact O-N 3.19Å; I104-S107 VanDerWaalsContact O-N 3.16Å; I104-S107 PolarHBondContact O-OG 2.91Å; D105-S107 VanDerWaalsContact C-N 3.3Å; D105-S107 PolarHBondContact O-N 3.28Å
108R71.1Confident87Confident57 Ų5765.9 Ų65.922%0.21531%0.313CS..  trans-126.794.1-167.3-68-102176.7144.9-3.2111.7Y76 A79 K106 K110 V113Y76-R108 PolarHBondContact O-NE 3.28Å; Y76-R108 PolarHBondContact O-NH2 2.94Å; A79-R108 VanDerWaalsContact O-CZ 3.24Å; A79-R108 PolarHBondContact O-NH1 3.41Å; A79-R108 PolarHBondContact O-NH2 3.46Å; K106-R108 VanDerWaalsContact C-N 3.27Å; K106-R108 PolarHBondContact O-N 2.83Å; R108-K110 VanDerWaalsContact C-N 3.33Å; R108-K110 PolarHBondContact O-N 2.97Å; R108-V113 HydrophobicContact CB-CG2 4.31Å; R108-V113 HydrophobicContact CG-CG2 3.66Å; R108-V113 VanDerWaalsContact NH1-CG2 3.3Å
109D60.5Low87Confident153 Ų15363.9 Ų63.982%0.81830%0.303SS*.SBendtrans-64.5-25.6-175.9-78.7-35.1000115.4
110K49.8Very low87.1Confident203 Ų20360.9 Ų60.988%0.88329%0.29SS*.SBendtrans-152.13.6-169-63.7-172.4-178.2174.10118.1R108R108-K110 VanDerWaalsContact C-N 3.33Å; R108-K110 PolarHBondContact O-N 2.97Å
111K63.8Low87.1Confident165 Ų16563.2 Ų63.272%0.71730%0.3SS*.  trans-123.3119.7177.5-74.3-172.5179.6-1780110.1V113K111-V113 PolarHBondContact O-N 3.29Å
112E72.3Confident87.2Confident199 Ų19963.9 Ų63.993%0.9331%0.306SS*.PPolyproline II helixtrans-57.3121.6168.6-170.4173.5-169.600108.6
113V86.9Confident87.2Confident20 Ų2062.9 Ų62.912%0.12131%0.305CS..PPolyproline II helixtrans-97.4133.3177.1-172.80000107.9F82 R108 K111 I115F82-V113 HydrophobicContact CD2-CG1 3.59Å; F82-V113 HydrophobicContact CE2-CG1 3.85Å; R108-V113 HydrophobicContact CB-CG2 4.31Å; R108-V113 HydrophobicContact CG-CG2 3.66Å; R108-V113 VanDerWaalsContact NH1-CG2 3.3Å; K111-V113 PolarHBondContact O-N 3.29Å; V113-I115 HydrophobicContact CG1-CG1 4.42Å; V113-I115 PolarHBondContact O-N 3.31Å
114T93.4Very high87.3Confident26 Ų2663.1 Ų63.116%0.1631%0.308CS..EExtended strand (participates in β ladder)trans-75.3119.4174.3-57.80000108.9G81 F82 L164 R167 L168G81-T114 CarbonylContact C-O 3.58Å; G81-T114 WeakPolarHBondContact CA-O 3.31Å; F82-T114 PolarHBondContact N-O 2.97Å; T114-L164 HydrophobicContact CG2-CD1 3.62Å; T114-R167 HydrophobicContact CG2-CB 3.7Å; T114-L168 HydrophobicContact CG2-CG 4.38Å
115I96.6Very high87.4Confident14 Ų1467.7 Ų67.77%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-121131.5178-53.8171.9000108.4F82 L84 K101 I104 V113 V144F82-I115 HydrophobicContact CB-CG1 4.34Å; F82-I115 HydrophobicContact CB-CG2 4.37Å; F82-I115 WeakPolarHBondContact O-CA 3.39Å; L84-I115 HydrophobicContact CD1-CG2 3.9Å; L84-I115 HydrophobicContact CG-CG2 3.95Å; K101-I115 HydrophobicContact CD-CD1 3.64Å; I104-I115 HydrophobicContact CB-CD1 4.26Å; I104-I115 HydrophobicContact CD1-CD1 4.25Å; I104-I115 HydrophobicContact CG2-CD1 3.66Å; I104-I115 HydrophobicContact CG2-CG1 4.44Å; V113-I115 HydrophobicContact CG1-CG1 4.42Å; V113-I115 PolarHBondContact O-N 3.31Å; I115-V144 HydrophobicContact CB-CG1 4.07Å; I115-V144 HydrophobicContact CG2-CG1 4.13Å
116I98.3Very high87.6Confident2 Ų272.9 Ų72.91%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-119.9155.1163.864.1160.6000110F82 V83 L84 L118 W147 P160 L164F82-I116 PolarHBondContact O-N 2.83Å; V83-I116 WeakPolarHBondContact CA-O 3.45Å; V83-I116 HydrophobicContact CB-CG1 4.28Å; V83-I116 HydrophobicContact CG1-CD1 4.3Å; V83-I116 HydrophobicContact CG1-CG1 4.22Å; V83-I116 HydrophobicContact CG2-CD1 3.95Å; V83-I116 HydrophobicContact CG2-CG1 3.79Å; L84-I116 PolarHBondContact N-O 2.89Å; I116-L118 HydrophobicContact CD1-CD2 4.37Å; I116-W147 HydrophobicContact CB-CZ3 3.93Å; I116-W147 HydrophobicContact CG2-CH2 4.38Å; I116-W147 HydrophobicContact CG2-CZ3 3.77Å; I116-P160 HydrophobicContact CD1-CB 4Å; I116-L164 HydrophobicContact CD1-CB 4.04Å; I116-L164 HydrophobicContact CD1-CD2 4.06Å; I116-L164 HydrophobicContact CG1-CB 4.45Å; I116-L164 HydrophobicContact CG1-CD1 4.36Å; I116-L164 HydrophobicContact CG1-CD2 4.26Å; I116-L164 HydrophobicContact CG2-CB 4.24Å; I116-L164 HydrophobicContact CG2-CD1 4.28Å
117V98.8Very high88Confident0 Ų071.1 Ų71.10%035%0.354CS..EExtended strand (participates in β ladder)trans-121.1134.7178.2-174.30000109.7L84 Y86 I97 W138 V144 K145 L146 W147L84-V117 HydrophobicContact CB-CG2 4.28Å; L84-V117 HydrophobicContact CD1-CG2 4.45Å; L84-V117 CarbonylContact O-C 3.58Å; L84-V117 VanDerWaalsContact O-CA 3.31Å; L84-V117 WeakPolarHBondContact O-CA 3.45Å; Y86-V117 HydrophobicContact CD1-CG1 3.93Å; Y86-V117 HydrophobicContact CE1-CG1 3.93Å; I97-V117 HydrophobicContact CG2-CG1 3.84Å; I97-V117 HydrophobicContact CG2-CG2 4.17Å; V117-W138 HydrophobicContact CG1-CZ3 4.36Å; V117-W138 HydrophobicContact CG2-CH2 4.17Å; V117-W138 HydrophobicContact CG2-CZ3 4Å; V117-V144 HydrophobicContact CG2-CB 4.32Å; V117-V144 HydrophobicContact CG2-CG2 3.84Å; V117-K145 PolarHBondContact N-O 2.85Å; V117-L146 HydrophobicContact CB-CB 4.16Å; V117-L146 HydrophobicContact CB-CD1 4.14Å; V117-L146 HydrophobicContact CB-CG 4.06Å; V117-L146 HydrophobicContact CG1-CD1 3.8Å; V117-L146 HydrophobicContact CG1-CG 4.07Å; V117-L146 VanDerWaalsContact O-CA 3.3Å; V117-L146 WeakPolarHBondContact O-CA 3.44Å; V117-W147 PolarHBondContact O-N 2.93Å
118L98.9Very high88.6Confident0 Ų071.4 Ų71.40%035%0.347CS..EExtended strand (participates in β ladder)trans-117.9120176.5-58.2-178.3000109.7I20 V83 L84 V85 Y86 I116 W147 V149 P160 F161I20-L118 HydrophobicContact CD1-CD1 4.18Å; I20-L118 HydrophobicContact CG2-CD1 4.16Å; V83-L118 HydrophobicContact CG1-CD1 3.56Å; V83-L118 HydrophobicContact CG1-CG 3.85Å; L84-L118 PolarHBondContact O-N 2.8Å; V85-L118 WeakPolarHBondContact CA-O 3.49Å; V85-L118 HydrophobicContact CG2-CB 4.47Å; Y86-L118 WeakPolarHBondContact CD1-O 3.35Å; Y86-L118 PolarHBondContact N-O 2.86Å; I116-L118 HydrophobicContact CD1-CD2 4.37Å; L118-W147 CarbonylContact C-O 3.59Å; L118-W147 WeakPolarHBondContact CA-O 3.3Å; L118-W147 HydrophobicContact CD2-CB 4.26Å; L118-V149 HydrophobicContact CB-CG2 4.18Å; L118-V149 HydrophobicContact CD2-CG1 4.13Å; L118-P160 HydrophobicContact CD2-CB 3.69Å; L118-P160 HydrophobicContact CD2-CG 3.93Å; L118-F161 HydrophobicContact CD1-CE2 4Å
119G98.8Very high90Very high0 Ų074.2 Ų74.20%036%0.362CS..EExtended strand (participates in β ladder)trans-91.792167.300000109.8W147 E148 V149G119-W147 PolarHBondContact N-O 3.15Å; G119-E148 CarbonylContact O-C 3.34Å; G119-E148 VanDerWaalsContact O-CA 3.24Å; G119-E148 WeakPolarHBondContact O-CA 3.39Å; G119-V149 PolarHBondContact O-N 2.96Å
120N98.6Very high91.8Very high6 Ų667.1 Ų67.13%0.03233%0.325CS..EExtended strand (participates in β ladder)trans-76.2167-175.8-166.527.8000112.4V15 I20 V85 Y86 S87 V88 S122 V149V15-N120 WeakPolarHBondContact O-CB 3.34Å; V15-N120 PolarHBondContact O-ND2 3.41Å; I20-N120 HydrophobicContact CD1-CB 4.03Å; V85-N120 HydrophobicContact CG1-CB 4.26Å; Y86-N120 WeakPolarHBondContact O-CB 3.45Å; Y86-N120 PolarHBondContact O-N 3.02Å; S87-N120 WeakPolarHBondContact CA-O 3.47Å; V88-N120 PolarHBondContact N-O 2.99Å; N120-S122 VanDerWaalsContact C-N 3.33Å; N120-V149 CarbonylContact C-O 3.55Å; N120-V149 VanDerWaalsContact CA-O 3.29Å; N120-V149 WeakPolarHBondContact CA-O 3.29Å; N120-V149 HydrophobicContact CB-CG2 4.36Å; N120-V149 PolarHBondContact OD1-O 3.14Å
121K97.2Very high94.1Very high49 Ų4963.4 Ų63.421%0.21331%0.311CS..  trans64.634178.9-42.5-173.5-162.6167.90113A14 V88 D89 D123 L124 V149A14-K121 WeakPolarHBondContact O-CE 3.46Å; A14-K121 PolarHBondContact O-NZ 3.38Å; V88-K121 HydrophobicContact CG2-CB 4.47Å; V88-K121 WeakPolarHBondContact CG2-O 3.38Å; D89-K121 IonicContact OD1-NZ 2.64Å; D89-K121 PolarHBondContact OD1-NZ 2.9Å; D89-K121 IonicContact OD2-NZ 3.12Å; D89-K121 PolarHBondContact OD2-NZ 3.38Å; K121-D123 VanDerWaalsContact C-OD1 3.31Å; K121-D123 WeakPolarHBondContact CA-OD1 3.32Å; K121-D123 PolarHBondContact O-N 3.08Å; K121-L124 HydrophobicContact CB-CD1 3.82Å; K121-L124 HydrophobicContact CB-CG 4.03Å; K121-L124 HydrophobicContact CD-CD1 3.68Å; K121-L124 HydrophobicContact CG-CD1 4.38Å; K121-L124 WeakPolarHBondContact O-CB 3.35Å; K121-L124 PolarHBondContact O-N 2.82Å; K121-V149 PolarHBondContact N-O 3.28Å
122S97.6Very high95.6Very high26 Ų2660.5 Ų60.518%0.18230%0.3CS..THydrogen-bonded Turntrans-58.2-18.6-179.7620000114N120 L124 V149N120-S122 VanDerWaalsContact C-N 3.33Å; S122-L124 VanDerWaalsContact C-N 3.32Å; S122-V149 PolarHBondContact N-O 2.97Å; S122-V149 VanDerWaalsContact N-O 3.1Å; S122-V149 PolarHBondContact OG-O 3.34Å
123D95.4Very high96.9Very high72 Ų7257.3 Ų57.339%0.38529%0.285SS..THydrogen-bonded Turntrans-67.8-23.5171.756-73.1000114K121 T125 S150K121-D123 VanDerWaalsContact C-OD1 3.31Å; K121-D123 WeakPolarHBondContact CA-OD1 3.32Å; K121-D123 PolarHBondContact O-N 3.08Å; D123-T125 PolarHBondContact O-N 3.06Å; D123-S150 VanDerWaalsContact OD1-CB 3.26Å; D123-S150 WeakPolarHBondContact OD1-CB 3.34Å; D123-S150 PolarHBondContact OD1-OG 2.87Å
124L95.8Very high97.4Very high53 Ų5358.8 Ų58.828%0.27730%0.299SS..  trans-81.957.2179.7-59.1-175.6000112.1D89 K121 S122 E126 L127 R128D89-L124 HydrophobicContact CB-CD1 4.35Å; K121-L124 HydrophobicContact CB-CD1 3.82Å; K121-L124 HydrophobicContact CB-CG 4.03Å; K121-L124 HydrophobicContact CD-CD1 3.68Å; K121-L124 HydrophobicContact CG-CD1 4.38Å; K121-L124 WeakPolarHBondContact O-CB 3.35Å; K121-L124 PolarHBondContact O-N 2.82Å; S122-L124 VanDerWaalsContact C-N 3.32Å; L124-E126 VanDerWaalsContact C-N 3.31Å; L124-E126 PolarHBondContact O-N 3.36Å; L124-L127 HydrophobicContact CB-CB 4.34Å; L124-L127 HydrophobicContact CD1-CD1 4.44Å; L124-L127 PolarHBondContact O-N 3.4Å; L124-R128 PolarHBondContact O-N 3.12Å
125T95.2Very high97.6Very high97 Ų9757.5 Ų57.560%0.59529%0.291SS*.G310 helixtrans-60.3-38.2-176.154.20000113D123 L127 R128D123-T125 PolarHBondContact O-N 3.06Å; T125-L127 VanDerWaalsContact C-N 3.31Å; T125-L127 PolarHBondContact O-N 2.87Å; T125-R128 WeakPolarHBondContact O-CB 3.48Å; T125-R128 PolarHBondContact O-N 3.22Å
126E96.9Very high97.7Very high192 Ų19259.7 Ų59.790%0.89730%0.301SS*.G310 helixtrans-72.3-23.3-179.9-60.8-173.9168.100113.5L124L124-E126 VanDerWaalsContact C-N 3.31Å; L124-E126 PolarHBondContact O-N 3.36Å
127L97.3Very high97.7Very high106 Ų10664.5 Ų64.556%0.55532%0.323SS*.G310 helixtrans-100.96.7179.5-59.2177.5000112.3D89 L124 T125 Q129D89-L127 WeakPolarHBondContact CA-O 3.35Å; D89-L127 HydrophobicContact CB-CB 4.15Å; L124-L127 HydrophobicContact CB-CB 4.34Å; L124-L127 HydrophobicContact CD1-CD1 4.44Å; L124-L127 PolarHBondContact O-N 3.4Å; T125-L127 VanDerWaalsContact C-N 3.31Å; T125-L127 PolarHBondContact O-N 2.87Å; L127-Q129 PolarHBondContact O-N 2.98Å
128R98.4Very high97.7Very high59 Ų5966.5 Ų66.522%0.22333%0.331CS..  trans-60.4129.5-175.7179.7175.7-72.2-92.25.8111.2L124 T125 V130 E148L124-R128 PolarHBondContact O-N 3.12Å; T125-R128 WeakPolarHBondContact O-CB 3.48Å; T125-R128 PolarHBondContact O-N 3.22Å; R128-V130 WeakPolarHBondContact CD-O 3.34Å; R128-V130 VanDerWaalsContact CG-O 3.27Å; R128-V130 WeakPolarHBondContact CG-O 3.19Å; R128-V130 PolarHBondContact NH1-O 3.24Å; R128-E148 IonicContact CZ-OE1 3.73Å; R128-E148 IonicContact CZ-OE2 3.44Å; R128-E148 IonicContact NH1-OE1 2.77Å; R128-E148 PolarHBondContact NH1-OE1 3.44Å; R128-E148 IonicContact NH1-OE2 3.24Å; R128-E148 PolarHBondContact NH1-OE2 3.36Å; R128-E148 IonicContact NH2-OE1 3.77Å; R128-E148 IonicContact NH2-OE2 2.74Å; R128-E148 PolarHBondContact NH2-OE2 3.02Å
129Q98.6Very high97.7Very high116 Ų11666.6 Ų66.654%0.54233%0.331SS..  trans-118.2-14.2173.4-59.9-1775.700112.6V88 D89 L91 L127V88-Q129 PolarHBondContact O-N 3.1Å; D89-Q129 PolarHBondContact O-NE2 3.45Å; D89-Q129 VanDerWaalsContact O-NE2 3.13Å; D89-Q129 PolarHBondContact O-OE1 3.01Å; L91-Q129 HydrophobicContact CB-CB 4.18Å; L91-Q129 VanDerWaalsContact N-OE1 3.15Å; L127-Q129 PolarHBondContact O-N 2.98Å
130V98.4Very high97.7Very high4 Ų474.4 Ų74.42%0.02436%0.361CS..SBendtrans-112.8111.8178.3-174.40000108.9Y86 V88 L91 F94 R128 Q132 A135Y86-V130 HydrophobicContact CD2-CG2 4.33Å; Y86-V130 HydrophobicContact CE2-CB 4.1Å; Y86-V130 HydrophobicContact CE2-CG1 3.86Å; Y86-V130 HydrophobicContact CE2-CG2 4.19Å; V88-V130 PolarHBondContact O-N 3.07Å; L91-V130 HydrophobicContact CD1-CG2 4.34Å; F94-V130 HydrophobicContact CB-CG1 4.29Å; F94-V130 HydrophobicContact CB-CG2 3.74Å; F94-V130 HydrophobicContact CD1-CG1 4.15Å; F94-V130 HydrophobicContact CD2-CG1 4.13Å; F94-V130 HydrophobicContact CG-CG1 3.92Å; F94-V130 HydrophobicContact CG-CG2 4.28Å; R128-V130 WeakPolarHBondContact CD-O 3.34Å; R128-V130 VanDerWaalsContact CG-O 3.27Å; R128-V130 WeakPolarHBondContact CG-O 3.19Å; R128-V130 PolarHBondContact NH1-O 3.24Å; V130-Q132 PolarHBondContact O-N 2.86Å; V130-A135 HydrophobicContact CG1-CB 4.02Å
131E98.1Very high97.6Very high126 Ų12676.9 Ų76.959%0.58939%0.388SS*.  trans-66.4129.1175.3-70.8-56.8146.200110.8E133 A134 A135E131-E133 VanDerWaalsContact C-N 3.25Å; E131-E133 PolarHBondContact O-N 2.86Å; E131-A134 HydrophobicContact CB-CB 4.04Å; E131-A134 PolarHBondContact O-N 2.79Å; E131-A134 VanDerWaalsContact O-N 3.14Å; E131-A135 PolarHBondContact O-N 3.18Å
132Q97.2Very high97.6Very high104 Ų10477 Ų7749%0.48639%0.39SS..Hα-helixtrans-58.1-41.5-177.1-175-178.219.400111.1V130 A135 Q136 E148V130-Q132 PolarHBondContact O-N 2.86Å; Q132-A135 PolarHBondContact O-N 3.41Å; Q132-Q136 WeakPolarHBondContact O-CB 3.17Å; Q132-Q136 VanDerWaalsContact O-CG 3.26Å; Q132-Q136 WeakPolarHBondContact O-CG 3.11Å; Q132-Q136 PolarHBondContact O-N 3.08Å; Q132-E148 HydrophobicContact CG-CG 4.45Å
133E97.9Very high97.5Very high132 Ų13284.7 Ų84.762%0.61742%0.42SS*.Hα-helixtrans-64.1-43.6179.4-164.5-173.3164.500111.6E131 Q136 Q137E131-E133 VanDerWaalsContact C-N 3.25Å; E131-E133 PolarHBondContact O-N 2.86Å; E133-Q136 PolarHBondContact O-N 2.68Å; E133-Q137 WeakPolarHBondContact O-CB 3.24Å; E133-Q137 VanDerWaalsContact O-CG 3.26Å; E133-Q137 WeakPolarHBondContact O-CG 3.26Å; E133-Q137 PolarHBondContact O-N 3.37Å; E133-Q137 PolarHBondContact OE1-NE2 3.35Å
134A98Very high97.5Very high50 Ų5082 Ų8241%0.41341%0.406SS..Hα-helixtrans-63.4-43.7178.100000111.5E131 Q136 Q137 W138E131-A134 HydrophobicContact CB-CB 4.04Å; E131-A134 PolarHBondContact O-N 2.79Å; E131-A134 VanDerWaalsContact O-N 3.14Å; A134-Q136 VanDerWaalsContact C-N 3.34Å; A134-Q136 PolarHBondContact O-N 2.94Å; A134-Q137 PolarHBondContact O-N 3.04Å; A134-W138 PolarHBondContact O-N 3.43Å
135A98.5Very high97.6Very high0 Ų084.4 Ų84.40%041%0.414CS..Hα-helixtrans-61.6-41.8175.700000112.1Y86 F94 V130 E131 Q132 W138 A139 L146Y86-A135 WeakPolarHBondContact OH-CB 3.31Å; F94-A135 HydrophobicContact CE2-CB 3.89Å; F94-A135 HydrophobicContact CZ-CB 4.02Å; V130-A135 HydrophobicContact CG1-CB 4.02Å; E131-A135 PolarHBondContact O-N 3.18Å; Q132-A135 PolarHBondContact O-N 3.41Å; A135-W138 PolarHBondContact O-N 3.29Å; A135-A139 WeakPolarHBondContact O-CB 3.4Å; A135-A139 PolarHBondContact O-N 2.87Å; A135-L146 HydrophobicContact CB-CD1 4.07Å
136Q98.5Very high97.8Very high60 Ų6080.3 Ų80.328%0.2839%0.388SS..Hα-helixtrans-69.9-35.4176.8-71.2-66.3-14.400113Q132 E133 A134 R140 L146Q132-Q136 WeakPolarHBondContact O-CB 3.17Å; Q132-Q136 VanDerWaalsContact O-CG 3.26Å; Q132-Q136 WeakPolarHBondContact O-CG 3.11Å; Q132-Q136 PolarHBondContact O-N 3.08Å; E133-Q136 PolarHBondContact O-N 2.68Å; A134-Q136 VanDerWaalsContact C-N 3.34Å; A134-Q136 PolarHBondContact O-N 2.94Å; Q136-R140 WeakPolarHBondContact O-CG 3.25Å; Q136-R140 PolarHBondContact O-N 2.66Å; Q136-R140 VanDerWaalsContact O-N 3.11Å; Q136-R140 PolarHBondContact O-NE 3.04Å; Q136-L146 PolarHBondContact NE2-O 2.98Å
137Q98.6Very high97.9Very high103 Ų10374 Ų7448%0.48136%0.356SS..Hα-helixtrans-62.7-46.8171.7-73.4175.514.400110.9E133 A134 R140 G141E133-Q137 WeakPolarHBondContact O-CB 3.24Å; E133-Q137 VanDerWaalsContact O-CG 3.26Å; E133-Q137 WeakPolarHBondContact O-CG 3.26Å; E133-Q137 PolarHBondContact O-N 3.37Å; E133-Q137 PolarHBondContact OE1-NE2 3.35Å; A134-Q137 PolarHBondContact O-N 3.04Å; Q137-R140 VanDerWaalsContact CG-NH2 3.31Å; Q137-R140 PolarHBondContact O-N 2.96Å; Q137-G141 PolarHBondContact O-N 3.28Å; Q137-G141 VanDerWaalsContact O-N 3.1Å
138W98.6Very high98Very high42 Ų4270.4 Ų70.416%0.15934%0.337CS..Hα-helixtrans-59.4-47.8174.9172.187000111.9F94 I97 D98 K101 V117 A134 A135 R140 G141 E142 V144 L146F94-W138 HydrophobicContact CE1-CG 4.43Å; F94-W138 HydrophobicContact CE2-CD2 4.35Å; F94-W138 AromaticContact CE2-CE3 3.94Å; F94-W138 HydrophobicContact CE2-CE3 3.94Å; F94-W138 HydrophobicContact CE2-CZ3 4.43Å; F94-W138 HydrophobicContact CZ-CB 3.97Å; F94-W138 AromaticContact CZ-CD2 3.79Å; F94-W138 HydrophobicContact CZ-CD2 3.79Å; F94-W138 AromaticContact CZ-CE3 3.79Å; F94-W138 HydrophobicContact CZ-CE3 3.79Å; F94-W138 AromaticContact CZ-CG 3.86Å; F94-W138 HydrophobicContact CZ-CG 3.86Å; I97-W138 HydrophobicContact CB-CH2 4.47Å; I97-W138 HydrophobicContact CG2-CH2 3.49Å; I97-W138 VanDerWaalsContact CG2-CH2 3.49Å; I97-W138 HydrophobicContact CG2-CZ2 4.16Å; I97-W138 HydrophobicContact CG2-CZ3 4.07Å; D98-W138 HydrophobicContact CB-CZ2 4.32Å; D98-W138 PolarHBondContact OD1-NE1 3.2Å; K101-W138 HydrophobicContact CB-CZ2 4.3Å; K101-W138 HydrophobicContact CG-CZ2 4.48Å; V117-W138 HydrophobicContact CG1-CZ3 4.36Å; V117-W138 HydrophobicContact CG2-CH2 4.17Å; V117-W138 HydrophobicContact CG2-CZ3 4Å; A134-W138 PolarHBondContact O-N 3.43Å; A135-W138 PolarHBondContact O-N 3.29Å; W138-R140 VanDerWaalsContact C-N 3.29Å; W138-R140 PolarHBondContact O-N 3.02Å; W138-G141 WeakPolarHBondContact O-CA 3.43Å; W138-G141 PolarHBondContact O-N 3Å; W138-E142 HydrophobicContact CD2-CG 4.22Å; W138-E142 HydrophobicContact CH2-CG 4.37Å; W138-E142 HydrophobicContact CZ2-CB 4.31Å; W138-E142 HydrophobicContact CZ2-CG 3.68Å; W138-E142 PolarHBondContact O-N 3.09Å; W138-V144 HydrophobicContact CH2-CG2 4.18Å; W138-V144 HydrophobicContact CZ3-CG2 3.97Å; W138-L146 HydrophobicContact CE3-CD1 4.33Å; W138-L146 HydrophobicContact CZ3-CD1 4.33Å
139A98.4Very high98Very high1 Ų167.6 Ų67.61%0.00833%0.326CS..Hα-helixtrans-59.5-39.1-179.700000112.6A135 E142 K143 V144 L146A135-A139 WeakPolarHBondContact O-CB 3.4Å; A135-A139 PolarHBondContact O-N 2.87Å; A139-E142 PolarHBondContact O-N 3.49Å; A139-K143 PolarHBondContact O-N 3.29Å; A139-V144 HydrophobicContact CB-CG2 4.09Å; A139-V144 PolarHBondContact O-N 3.47Å; A139-V144 VanDerWaalsContact O-O 3.12Å; A139-L146 HydrophobicContact CB-CB 3.56Å; A139-L146 HydrophobicContact CB-CD1 4.05Å; A139-L146 HydrophobicContact CB-CG 4.47Å
140R98.2Very high97.9Very high164 Ų16462.2 Ų62.262%0.61930%0.301SS*.Hα-helixtrans-63.5-42.6173.3-75.6-179.7-72.3-161.10.5112.2Q136 Q137 W138 K143Q136-R140 WeakPolarHBondContact O-CG 3.25Å; Q136-R140 PolarHBondContact O-N 2.66Å; Q136-R140 VanDerWaalsContact O-N 3.11Å; Q136-R140 PolarHBondContact O-NE 3.04Å; Q137-R140 VanDerWaalsContact CG-NH2 3.31Å; Q137-R140 PolarHBondContact O-N 2.96Å; W138-R140 VanDerWaalsContact C-N 3.29Å; W138-R140 PolarHBondContact O-N 3.02Å; R140-K143 PolarHBondContact O-N 2.94Å
141G97.7Very high97.7Very high59 Ų5962.5 Ų62.561%0.60830%0.303SS*.Hα-helixtrans-61.9-4317600000112.6Q137 W138 K143Q137-G141 PolarHBondContact O-N 3.28Å; Q137-G141 VanDerWaalsContact O-N 3.1Å; W138-G141 WeakPolarHBondContact O-CA 3.43Å; W138-G141 PolarHBondContact O-N 3Å; G141-K143 VanDerWaalsContact C-N 3.26Å; G141-K143 PolarHBondContact O-N 3.38Å
142E96.4Very high97.4Very high51 Ų5160.4 Ų60.424%0.23830%0.299CS..THydrogen-bonded Turntrans-80.5-2.2178.7-72.2-59.4141.600114.2K101 W138 A139 V144K101-E142 HydrophobicContact CG-CB 4.47Å; K101-E142 HydrophobicContact CG-CG 4.35Å; K101-E142 WeakPolarHBondContact CG-OE2 3.49Å; K101-E142 IonicContact NZ-OE2 3.38Å; K101-E142 PolarHBondContact NZ-OE2 3.19Å; W138-E142 HydrophobicContact CD2-CG 4.22Å; W138-E142 HydrophobicContact CH2-CG 4.37Å; W138-E142 HydrophobicContact CZ2-CB 4.31Å; W138-E142 HydrophobicContact CZ2-CG 3.68Å; W138-E142 PolarHBondContact O-N 3.09Å; A139-E142 PolarHBondContact O-N 3.49Å; E142-V144 HydrophobicContact CB-CG2 4.02Å; E142-V144 PolarHBondContact O-N 2.87Å
143K95.3Very high97.3Very high187 Ų18761 Ų6181%0.81330%0.302SS*.THydrogen-bonded Turntrans56.731.9-178.2-56.1174.9-177.21720113.6A139 R140 G141A139-K143 PolarHBondContact O-N 3.29Å; R140-K143 PolarHBondContact O-N 2.94Å; G141-K143 VanDerWaalsContact C-N 3.26Å; G141-K143 PolarHBondContact O-N 3.38Å
144V96.6Very high97Very high15 Ų1559.7 Ų59.79%0.09129%0.291CS..  trans-107.1156175.1-64.10000110.4K101 I115 V117 W138 A139 E142K101-V144 HydrophobicContact CD-CG1 4.2Å; I115-V144 HydrophobicContact CB-CG1 4.07Å; I115-V144 HydrophobicContact CG2-CG1 4.13Å; V117-V144 HydrophobicContact CG2-CB 4.32Å; V117-V144 HydrophobicContact CG2-CG2 3.84Å; W138-V144 HydrophobicContact CH2-CG2 4.18Å; W138-V144 HydrophobicContact CZ3-CG2 3.97Å; A139-V144 HydrophobicContact CB-CG2 4.09Å; A139-V144 PolarHBondContact O-N 3.47Å; A139-V144 VanDerWaalsContact O-O 3.12Å; E142-V144 HydrophobicContact CB-CG2 4.02Å; E142-V144 PolarHBondContact O-N 2.87Å
145K97.9Very high96.9Very high105 Ų10559.9 Ų59.946%0.45730%0.298SS..EExtended strand (participates in β ladder)trans-90.9133.9170.7-68.6-69.1-170.8173.90109.3V117 W147V117-K145 PolarHBondContact N-O 2.85Å; K145-W147 HydrophobicContact CB-CE3 4.17Å; K145-W147 HydrophobicContact CB-CH2 3.3Å; K145-W147 HydrophobicContact CB-CZ2 4.15Å; K145-W147 HydrophobicContact CB-CZ3 3.29Å; K145-W147 HydrophobicContact CG-CH2 3.98Å; K145-W147 HydrophobicContact CG-CZ3 4.43Å
146L98.6Very high96.8Very high10 Ų1061 Ų615%0.05231%0.306CS..EExtended strand (participates in β ladder)trans-124.8130.8179.8-174.4155.3000110Y86 F94 V117 A135 Q136 W138 A139 E148Y86-L146 HydrophobicContact CE1-CD1 3.92Å; Y86-L146 HydrophobicContact CE1-CG 4.42Å; F94-L146 HydrophobicContact CE2-CD1 4.36Å; V117-L146 HydrophobicContact CB-CB 4.16Å; V117-L146 HydrophobicContact CB-CD1 4.14Å; V117-L146 HydrophobicContact CB-CG 4.06Å; V117-L146 HydrophobicContact CG1-CD1 3.8Å; V117-L146 HydrophobicContact CG1-CG 4.07Å; V117-L146 VanDerWaalsContact O-CA 3.3Å; V117-L146 WeakPolarHBondContact O-CA 3.44Å; A135-L146 HydrophobicContact CB-CD1 4.07Å; Q136-L146 PolarHBondContact NE2-O 2.98Å; W138-L146 HydrophobicContact CE3-CD1 4.33Å; W138-L146 HydrophobicContact CZ3-CD1 4.33Å; A139-L146 HydrophobicContact CB-CB 3.56Å; A139-L146 HydrophobicContact CB-CD1 4.05Å; A139-L146 HydrophobicContact CB-CG 4.47Å; L146-E148 HydrophobicContact CD2-CG 4.37Å
147W98.8Very high96.7Very high59 Ų5958.1 Ų58.122%0.22329%0.292CS..EExtended strand (participates in β ladder)trans-120135.4170-66.8-98.7000109.5I116 V117 L118 G119 K145 V149 P160 Q163I116-W147 HydrophobicContact CB-CZ3 3.93Å; I116-W147 HydrophobicContact CG2-CH2 4.38Å; I116-W147 HydrophobicContact CG2-CZ3 3.77Å; V117-W147 PolarHBondContact O-N 2.93Å; L118-W147 CarbonylContact C-O 3.59Å; L118-W147 WeakPolarHBondContact CA-O 3.3Å; L118-W147 HydrophobicContact CD2-CB 4.26Å; G119-W147 PolarHBondContact N-O 3.15Å; K145-W147 HydrophobicContact CB-CE3 4.17Å; K145-W147 HydrophobicContact CB-CH2 3.3Å; K145-W147 HydrophobicContact CB-CZ2 4.15Å; K145-W147 HydrophobicContact CB-CZ3 3.29Å; K145-W147 HydrophobicContact CG-CH2 3.98Å; K145-W147 HydrophobicContact CG-CZ3 4.43Å; W147-V149 HydrophobicContact CB-CG1 4.01Å; W147-P160 HydrophobicContact CB-CG 3.88Å; W147-P160 HydrophobicContact CD2-CB 3.98Å; W147-P160 HydrophobicContact CD2-CG 3.82Å; W147-P160 HydrophobicContact CE3-CB 3.85Å; W147-P160 HydrophobicContact CE3-CG 4.18Å; W147-P160 HydrophobicContact CG-CB 4.35Å; W147-P160 HydrophobicContact CG-CG 3.68Å; W147-P160 HydrophobicContact CZ3-CB 4.26Å; W147-Q163 HydrophobicContact CH2-CB 3.9Å; W147-Q163 HydrophobicContact CH2-CG 4.2Å; W147-Q163 HydrophobicContact CZ2-CB 4.18Å; W147-Q163 HydrophobicContact CZ2-CG 3.96Å
148E98.5Very high96.5Very high31 Ų3156.6 Ų56.615%0.14529%0.287CS..EExtended strand (participates in β ladder)trans-83.2133.1160.2-67.3-163.7167.400108.3V88 G119 R128 Q132 L146V88-E148 HydrophobicContact CG1-CG 4.39Å; G119-E148 CarbonylContact O-C 3.34Å; G119-E148 VanDerWaalsContact O-CA 3.24Å; G119-E148 WeakPolarHBondContact O-CA 3.39Å; R128-E148 IonicContact CZ-OE1 3.73Å; R128-E148 IonicContact CZ-OE2 3.44Å; R128-E148 IonicContact NH1-OE1 2.77Å; R128-E148 PolarHBondContact NH1-OE1 3.44Å; R128-E148 IonicContact NH1-OE2 3.24Å; R128-E148 PolarHBondContact NH1-OE2 3.36Å; R128-E148 IonicContact NH2-OE1 3.77Å; R128-E148 IonicContact NH2-OE2 2.74Å; R128-E148 PolarHBondContact NH2-OE2 3.02Å; Q132-E148 HydrophobicContact CG-CG 4.45Å; L146-E148 HydrophobicContact CD2-CG 4.37Å
149V98.4Very high96.5Very high1 Ų158.9 Ų58.91%0.00630%0.299CS..  trans-136.3158.9-173.2-59.70000110.1I20 L118 G119 N120 K121 S122 W147 S156 L157 P160I20-V149 HydrophobicContact CD1-CG2 4.45Å; L118-V149 HydrophobicContact CB-CG2 4.18Å; L118-V149 HydrophobicContact CD2-CG1 4.13Å; G119-V149 PolarHBondContact O-N 2.96Å; N120-V149 CarbonylContact C-O 3.55Å; N120-V149 VanDerWaalsContact CA-O 3.29Å; N120-V149 WeakPolarHBondContact CA-O 3.29Å; N120-V149 HydrophobicContact CB-CG2 4.36Å; N120-V149 PolarHBondContact OD1-O 3.14Å; K121-V149 PolarHBondContact N-O 3.28Å; S122-V149 PolarHBondContact N-O 2.97Å; S122-V149 VanDerWaalsContact N-O 3.1Å; S122-V149 PolarHBondContact OG-O 3.34Å; W147-V149 HydrophobicContact CB-CG1 4.01Å; V149-S156 WeakPolarHBondContact CG1-O 3.32Å; V149-L157 HydrophobicContact CB-CD2 3.75Å; V149-L157 HydrophobicContact CG1-CD2 4.24Å; V149-L157 HydrophobicContact CG2-CD2 3.77Å; V149-P160 HydrophobicContact CG1-CG 4.28Å
150S96.7Very high96.4Very high2 Ų258.8 Ų58.81%0.01430%0.298CS..  trans-130.1134.3167.3-178.80000110.1D123 T152 E153 S156D123-S150 VanDerWaalsContact OD1-CB 3.26Å; D123-S150 WeakPolarHBondContact OD1-CB 3.34Å; D123-S150 PolarHBondContact OD1-OG 2.87Å; S150-T152 PolarHBondContact O-N 3.48Å; S150-T152 PolarHBondContact OG-N 3.1Å; S150-T152 VanDerWaalsContact OG-N 3.08Å; S150-T152 PolarHBondContact OG-OG1 3.17Å; S150-E153 CarbonylContact O-C 3.23Å; S150-E153 VanDerWaalsContact O-C 3.23Å; S150-E153 WeakPolarHBondContact O-CA 3.45Å; S150-E153 PolarHBondContact O-N 3.24Å; S150-S156 PolarHBondContact N-OG 3.19Å; S150-S156 VanDerWaalsContact N-OG 3.09Å; S150-S156 PolarHBondContact O-OG 3.35Å
151V94.8Very high96.4Very high10 Ų1051.1 Ų51.16%0.06127%0.269CS..THydrogen-bonded Turntrans-60.2-28168.61650000111.4A19 I20 Q23 H29 E153A19-V151 HydrophobicContact CB-CG1 4.29Å; A19-V151 HydrophobicContact CB-CG2 3.94Å; I20-V151 HydrophobicContact CG1-CG2 3.8Å; Q23-V151 HydrophobicContact CB-CG1 4Å; Q23-V151 HydrophobicContact CG-CG1 4.1Å; Q23-V151 VanDerWaalsContact CG-O 3.28Å; Q23-V151 WeakPolarHBondContact CG-O 3.46Å; Q23-V151 PolarHBondContact NE2-O 3.26Å; H29-V151 HydrophobicContact CB-CG1 4.32Å; H29-V151 WeakPolarHBondContact CD2-CG1 3.32Å; V151-E153 PolarHBondContact O-N 3.04Å
152T92.5Very high96.3Very high83 Ų8349.9 Ų49.951%0.50925%0.249SC..THydrogen-bonded Turntrans-67.7-24.7173.767.30000112.5V31 S150V31-T152 HydrophobicContact CG2-CG2 3.57Å; S150-T152 PolarHBondContact O-N 3.48Å; S150-T152 PolarHBondContact OG-N 3.1Å; S150-T152 VanDerWaalsContact OG-N 3.08Å; S150-T152 PolarHBondContact OG-OG1 3.17Å
153E93.9Very high96.3Very high115 Ų11549.9 Ų49.954%0.53725%0.249SC..  trans-113.380.9179.8-170.2-172.7-173.900110S150 V151 G155 S156S150-E153 CarbonylContact O-C 3.23Å; S150-E153 VanDerWaalsContact O-C 3.23Å; S150-E153 WeakPolarHBondContact O-CA 3.45Å; S150-E153 PolarHBondContact O-N 3.24Å; V151-E153 PolarHBondContact O-N 3.04Å; E153-G155 PolarHBondContact O-N 2.74Å; E153-S156 WeakPolarHBondContact O-CB 3.05Å; E153-S156 PolarHBondContact O-N 3.09Å; E153-S156 PolarHBondContact O-OG 3.24Å
154R93.1Very high96.3Very high106 Ų10641 Ų4140%0.421%0.21SC..Hα-helixtrans-50.2-34.7-177.9-176.4179.4-177.6-1683.2113.5Q23 L24 S156 L157Q23-R154 HydrophobicContact CG-CB 4.15Å; Q23-R154 HydrophobicContact CG-CG 4.26Å; Q23-R154 WeakPolarHBondContact O-CD 3.44Å; Q23-R154 PolarHBondContact O-NE 2.77Å; L24-R154 PolarHBondContact O-NE 2.87Å; L24-R154 PolarHBondContact O-NH2 3.44Å; R154-S156 PolarHBondContact O-N 3.37Å; R154-L157 WeakPolarHBondContact O-CB 3.46Å; R154-L157 PolarHBondContact O-N 2.91Å
155G94.6Very high96.3Very high53 Ų5340.2 Ų40.255%0.54621%0.205SC..Hα-helixtrans-57-34.7178.100000113.5E153 L157 I158E153-G155 PolarHBondContact O-N 2.74Å; G155-L157 PolarHBondContact O-N 2.74Å; G155-I158 PolarHBondContact O-N 3.03Å
156S96.3Very high96Very high24 Ų2435.4 Ų35.417%0.16819%0.185CC..Hα-helixtrans-64.1-23.7177.872.40000113.3V149 S150 E153 R154 P160V149-S156 WeakPolarHBondContact CG1-O 3.32Å; S150-S156 PolarHBondContact N-OG 3.19Å; S150-S156 VanDerWaalsContact N-OG 3.09Å; S150-S156 PolarHBondContact O-OG 3.35Å; E153-S156 WeakPolarHBondContact O-CB 3.05Å; E153-S156 PolarHBondContact O-N 3.09Å; E153-S156 PolarHBondContact O-OG 3.24Å; R154-S156 PolarHBondContact O-N 3.37Å; S156-P160 VanDerWaalsContact O-CD 3.29Å; S156-P160 WeakPolarHBondContact O-CD 3.3Å
157L96.8Very high95.7Very high0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-83.9-18.1-178.5-54.4177000113.3I20 Q23 L24 V149 R154 G155 F161I20-L157 HydrophobicContact CG1-CD2 4.13Å; I20-L157 HydrophobicContact CG2-CD2 4.11Å; Q23-L157 HydrophobicContact CB-CD1 3.85Å; Q23-L157 HydrophobicContact CG-CD1 3.79Å; L24-L157 HydrophobicContact CB-CD1 4.45Å; L24-L157 HydrophobicContact CD1-CB 3.98Å; V149-L157 HydrophobicContact CB-CD2 3.75Å; V149-L157 HydrophobicContact CG1-CD2 4.24Å; V149-L157 HydrophobicContact CG2-CD2 3.77Å; R154-L157 WeakPolarHBondContact O-CB 3.46Å; R154-L157 PolarHBondContact O-N 2.91Å; G155-L157 PolarHBondContact O-N 2.74Å; L157-F161 VanDerWaalsContact O-CD2 3.25Å; L157-F161 WeakPolarHBondContact O-CD2 3.43Å
158I95.6Very high95.4Very high71 Ų7138.5 Ų38.536%0.36420%0.198SC..Hα-helixtrans-73.2-55.2-170.1-58.2-63.9000111.4L24 G155 F161 I162L24-I158 HydrophobicContact CD1-CD1 3.87Å; G155-I158 PolarHBondContact O-N 3.03Å; I158-F161 PolarHBondContact O-N 2.96Å; I158-I162 HydrophobicContact CG2-CD1 3.63Å; I158-I162 HydrophobicContact CG2-CG1 4.24Å; I158-I162 WeakPolarHBondContact O-CG1 3.47Å; I158-I162 PolarHBondContact O-N 3.4Å
159E96.6Very high94.9Very high89 Ų8938.2 Ų38.242%0.41620%0.198SC..Hα-helixtrans-57.8-44.2-175.4-178.860.5-157.800113.7F161 I162 Q163E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 2.85Å; E159-I162 PolarHBondContact O-N 2.7Å; E159-Q163 HydrophobicContact CG-CG 4.38Å; E159-Q163 WeakPolarHBondContact O-CG 3.22Å; E159-Q163 PolarHBondContact O-N 3.5Å; E159-Q163 WeakPolarHBondContact OE1-CG 3.38Å; E159-Q163 PolarHBondContact OE1-NE2 3.46Å
160P97.9Very high94.1Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-56.7-41.5177.5-23.732000113.2I116 L118 W147 V149 S156 Q163 L164I116-P160 HydrophobicContact CD1-CB 4Å; L118-P160 HydrophobicContact CD2-CB 3.69Å; L118-P160 HydrophobicContact CD2-CG 3.93Å; W147-P160 HydrophobicContact CB-CG 3.88Å; W147-P160 HydrophobicContact CD2-CB 3.98Å; W147-P160 HydrophobicContact CD2-CG 3.82Å; W147-P160 HydrophobicContact CE3-CB 3.85Å; W147-P160 HydrophobicContact CE3-CG 4.18Å; W147-P160 HydrophobicContact CG-CB 4.35Å; W147-P160 HydrophobicContact CG-CG 3.68Å; W147-P160 HydrophobicContact CZ3-CB 4.26Å; V149-P160 HydrophobicContact CG1-CG 4.28Å; S156-P160 VanDerWaalsContact O-CD 3.29Å; S156-P160 WeakPolarHBondContact O-CD 3.3Å; P160-Q163 PolarHBondContact O-N 2.89Å; P160-L164 WeakPolarHBondContact O-CB 3.24Å; P160-L164 PolarHBondContact O-N 3.06Å
161F97.3Very high92.7Very high2 Ų248.5 Ų48.51%0.00926%0.255CS..Hα-helixtrans-76.6-31.5-178.7-78.8-97.5000112.5I20 L21 L24 L57 L59 V83 L118 L157 I158 E159 L164 T165I20-F161 HydrophobicContact CG2-CE2 4.03Å; I20-F161 HydrophobicContact CG2-CZ 4.16Å; L21-F161 HydrophobicContact CD2-CE1 4.27Å; L21-F161 HydrophobicContact CD2-CZ 4.05Å; L24-F161 HydrophobicContact CD1-CD2 4.31Å; L24-F161 HydrophobicContact CD2-CB 4.19Å; L24-F161 HydrophobicContact CD2-CD1 3.57Å; L24-F161 HydrophobicContact CD2-CD2 3.65Å; L24-F161 HydrophobicContact CD2-CE1 3.73Å; L24-F161 HydrophobicContact CD2-CE2 3.79Å; L24-F161 HydrophobicContact CD2-CG 3.52Å; L24-F161 HydrophobicContact CD2-CZ 3.82Å; L57-F161 HydrophobicContact CD1-CD1 4.49Å; L59-F161 HydrophobicContact CD1-CE1 3.96Å; L59-F161 HydrophobicContact CD2-CE1 4.17Å; V83-F161 HydrophobicContact CG2-CE1 4.42Å; V83-F161 HydrophobicContact CG2-CZ 4.49Å; L118-F161 HydrophobicContact CD1-CE2 4Å; L157-F161 VanDerWaalsContact O-CD2 3.25Å; L157-F161 WeakPolarHBondContact O-CD2 3.43Å; I158-F161 PolarHBondContact O-N 2.96Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 2.85Å; F161-L164 HydrophobicContact CD1-CD2 4.45Å; F161-T165 VanDerWaalsContact O-CB 3.32Å; F161-T165 WeakPolarHBondContact O-CB 3.39Å; F161-T165 PolarHBondContact O-N 3.25Å; F161-T165 PolarHBondContact O-OG1 2.82Å
162I96.2Very high90.8Very high34 Ų3456.8 Ų56.817%0.17429%0.293CS..Hα-helixtrans-61.2-49.2169.4-67.7177.4000110V47 D50 I158 E159 L164 T165 S166V47-I162 HydrophobicContact CG1-CG1 4Å; D50-I162 HydrophobicContact CB-CG2 4.49Å; I158-I162 HydrophobicContact CG2-CD1 3.63Å; I158-I162 HydrophobicContact CG2-CG1 4.24Å; I158-I162 WeakPolarHBondContact O-CG1 3.47Å; I158-I162 PolarHBondContact O-N 3.4Å; E159-I162 PolarHBondContact O-N 2.7Å; I162-L164 PolarHBondContact O-N 2.89Å; I162-T165 PolarHBondContact O-N 2.97Å; I162-S166 WeakPolarHBondContact O-CB 3.29Å; I162-S166 PolarHBondContact O-N 3.44Å
163Q95.6Very high88.7Confident50 Ų5058.3 Ų58.323%0.23431%0.308CS..Hα-helixtrans-62.4-44.2179.6-71.8-69.1-34.900112.4W147 E159 P160 S166 R167W147-Q163 HydrophobicContact CH2-CB 3.9Å; W147-Q163 HydrophobicContact CH2-CG 4.2Å; W147-Q163 HydrophobicContact CZ2-CB 4.18Å; W147-Q163 HydrophobicContact CZ2-CG 3.96Å; E159-Q163 HydrophobicContact CG-CG 4.38Å; E159-Q163 WeakPolarHBondContact O-CG 3.22Å; E159-Q163 PolarHBondContact O-N 3.5Å; E159-Q163 WeakPolarHBondContact OE1-CG 3.38Å; E159-Q163 PolarHBondContact OE1-NE2 3.46Å; P160-Q163 PolarHBondContact O-N 2.89Å; Q163-S166 PolarHBondContact O-N 3.47Å; Q163-R167 WeakPolarHBondContact O-CG 3.39Å; Q163-R167 PolarHBondContact O-N 2.9Å; Q163-R167 VanDerWaalsContact O-N 3.09Å
164L96.3Very high86.3Confident0 Ų062.5 Ų62.50%032%0.324CS..Hα-helixtrans-57.6-50.1174.3175.163.7000111.1V7 L57 V83 T114 I116 P160 F161 I162 R167 L168V7-L164 HydrophobicContact CG1-CD2 3.86Å; V7-L164 HydrophobicContact CG2-CD2 4.2Å; L57-L164 HydrophobicContact CD1-CD2 4.48Å; V83-L164 HydrophobicContact CG2-CD2 3.63Å; T114-L164 HydrophobicContact CG2-CD1 3.62Å; I116-L164 HydrophobicContact CD1-CB 4.04Å; I116-L164 HydrophobicContact CD1-CD2 4.06Å; I116-L164 HydrophobicContact CG1-CB 4.45Å; I116-L164 HydrophobicContact CG1-CD1 4.36Å; I116-L164 HydrophobicContact CG1-CD2 4.26Å; I116-L164 HydrophobicContact CG2-CB 4.24Å; I116-L164 HydrophobicContact CG2-CD1 4.28Å; P160-L164 WeakPolarHBondContact O-CB 3.24Å; P160-L164 PolarHBondContact O-N 3.06Å; F161-L164 HydrophobicContact CD1-CD2 4.45Å; I162-L164 PolarHBondContact O-N 2.89Å; L164-R167 PolarHBondContact O-N 3.28Å; L164-L168 HydrophobicContact CD1-CD1 3.77Å; L164-L168 HydrophobicContact CD1-CG 4.18Å; L164-L168 HydrophobicContact CG-CD1 3.86Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 VanDerWaalsContact O-CG 3.31Å; L164-L168 WeakPolarHBondContact O-CG 3.28Å; L164-L168 PolarHBondContact O-N 3.26Å
165T95.1Very high84.1Confident0 Ų062.1 Ų62.10%034%0.338CS..Hα-helixtrans-63.4-45-178.2-54.50000111.4V47 T49 E55 L57 F161 I162 R167 L168 T169V47-T165 HydrophobicContact CB-CG2 4.08Å; V47-T165 WeakPolarHBondContact CB-OG1 3.48Å; V47-T165 HydrophobicContact CG1-CG2 4.34Å; V47-T165 WeakPolarHBondContact CG1-OG1 3.41Å; T49-T165 HydrophobicContact CG2-CG2 3.62Å; E55-T165 HydrophobicContact CB-CG2 3.52Å; E55-T165 HydrophobicContact CG-CG2 4.18Å; L57-T165 WeakPolarHBondContact CD1-OG1 3.08Å; L57-T165 HydrophobicContact CD2-CG2 4.26Å; F161-T165 VanDerWaalsContact O-CB 3.32Å; F161-T165 WeakPolarHBondContact O-CB 3.39Å; F161-T165 PolarHBondContact O-N 3.25Å; F161-T165 PolarHBondContact O-OG1 2.82Å; I162-T165 PolarHBondContact O-N 2.97Å; T165-R167 VanDerWaalsContact C-N 3.34Å; T165-R167 PolarHBondContact O-N 2.83Å; T165-L168 PolarHBondContact O-N 2.87Å; T165-T169 HydrophobicContact CG2-CG2 4.45Å; T165-T169 WeakPolarHBondContact O-CB 3.42Å; T165-T169 WeakPolarHBondContact O-CG2 3.48Å; T165-T169 PolarHBondContact O-N 3.12Å; T165-T169 PolarHBondContact O-OG1 2.91Å
166S93.4Very high81.8Confident3 Ų364 Ų642%0.02135%0.348CS..Hα-helixtrans-59-46.1179-172.90000110.9D50 I162 Q163 T169 Q170D50-S166 VanDerWaalsContact OD1-CB 3.3Å; D50-S166 WeakPolarHBondContact OD1-CB 3.44Å; D50-S166 PolarHBondContact OD1-OG 3.07Å; I162-S166 WeakPolarHBondContact O-CB 3.29Å; I162-S166 PolarHBondContact O-N 3.44Å; Q163-S166 PolarHBondContact O-N 3.47Å; S166-T169 CarbonylContact O-C 3.53Å; S166-T169 PolarHBondContact O-N 3.06Å; S166-Q170 VanDerWaalsContact O-CG 3.3Å; S166-Q170 WeakPolarHBondContact O-CG 3.26Å; S166-Q170 PolarHBondContact O-N 3Å
167R92.4Very high80Confident102 Ų10272 Ų7239%0.38538%0.38SS..Hα-helixtrans-64.1-42.3177.1-72.8-179-178.1-137.8-4.1113.4T114 Q163 L164 T165 T169T114-R167 HydrophobicContact CG2-CB 3.7Å; Q163-R167 WeakPolarHBondContact O-CG 3.39Å; Q163-R167 PolarHBondContact O-N 2.9Å; Q163-R167 VanDerWaalsContact O-N 3.09Å; L164-R167 PolarHBondContact O-N 3.28Å; T165-R167 VanDerWaalsContact C-N 3.34Å; T165-R167 PolarHBondContact O-N 2.83Å; R167-T169 VanDerWaalsContact C-N 3.26Å; R167-T169 PolarHBondContact O-N 2.69Å
168L91.6Very high77.8Confident33 Ų3377.5 Ų77.517%0.17342%0.416CS..Hα-helixtrans-66.6-27.8179.4-74.7172.7000113.4C5 V7 L57 D80 T114 L164 T165C5-L168 HydrophobicContact CB-CB 4.4Å; C5-L168 HydrophobicContact CB-CD1 4.14Å; V7-L168 HydrophobicContact CG2-CD1 3.65Å; L57-L168 HydrophobicContact CD2-CD1 4.2Å; D80-L168 HydrophobicContact CB-CD2 4.19Å; D80-L168 WeakPolarHBondContact O-CD2 3.39Å; T114-L168 HydrophobicContact CG2-CG 4.38Å; L164-L168 HydrophobicContact CD1-CD1 3.77Å; L164-L168 HydrophobicContact CD1-CG 4.18Å; L164-L168 HydrophobicContact CG-CD1 3.86Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 VanDerWaalsContact O-CG 3.31Å; L164-L168 WeakPolarHBondContact O-CG 3.28Å; L164-L168 PolarHBondContact O-N 3.26Å; T165-L168 PolarHBondContact O-N 2.87Å
169T88.6Confident75.9Confident24 Ų2481.9 Ų81.915%0.14744%0.439CS..THydrogen-bonded Turntrans-11313.7-173.362.70000112.8R51 E55 T165 S166 R167 P171R51-T169 PolarHBondContact NH1-O 3.18Å; R51-T169 PolarHBondContact NH2-O 3.09Å; R51-T169 PolarHBondContact NH2-OG1 3.27Å; E55-T169 HydrophobicContact CB-CG2 4.05Å; E55-T169 HydrophobicContact CG-CG2 3.75Å; T165-T169 HydrophobicContact CG2-CG2 4.45Å; T165-T169 WeakPolarHBondContact O-CB 3.42Å; T165-T169 WeakPolarHBondContact O-CG2 3.48Å; T165-T169 PolarHBondContact O-N 3.12Å; T165-T169 PolarHBondContact O-OG1 2.91Å; S166-T169 CarbonylContact O-C 3.53Å; S166-T169 PolarHBondContact O-N 3.06Å; R167-T169 VanDerWaalsContact C-N 3.26Å; R167-T169 PolarHBondContact O-N 2.69Å; T169-P171 WeakPolarHBondContact O-CD 3.35Å
170Q81Confident73.7Confident115 Ų11583.4 Ų83.454%0.53746%0.457SS..PPolyproline II helixtrans-65124.3171-94.8169.43700109.1S166 Q172S166-Q170 VanDerWaalsContact O-CG 3.3Å; S166-Q170 WeakPolarHBondContact O-CG 3.26Å; S166-Q170 PolarHBondContact O-N 3Å; Q170-Q172 PolarHBondContact O-N 3.08Å; Q170-Q172 VanDerWaalsContact O-N 3.08Å
171P66.3Low71.6Confident105 Ų10586.5 Ų86.568%0.68249%0.489SS*.PPolyproline II helixtrans-57.4120.7170.5-13.721.7000107.2T169 S173T169-P171 WeakPolarHBondContact O-CD 3.35Å; P171-S173 PolarHBondContact O-N 2.86Å
172Q55.5Low69.3Low183 Ų18398.4 Ų98.486%0.85553%0.534SS*.PPolyproline II helixtrans-53.2122.4166.1-68.7-159.3-21.800106.3Q170 K174Q170-Q172 PolarHBondContact O-N 3.08Å; Q170-Q172 VanDerWaalsContact O-N 3.08Å; Q172-K174 VanDerWaalsContact C-N 3.32Å; Q172-K174 PolarHBondContact O-N 3.29Å
173S47.9Very low66.9Low116 Ų116106 Ų10681%0.81157%0.566SS**  trans-57.1107.5173.665.90000105.6P171 S175P171-S173 PolarHBondContact O-N 2.86Å; S173-S175 PolarHBondContact O-N 3.36Å
174K44.5Very low65Low203 Ų203109.3 Ų109.388%0.88359%0.594SS**  trans-60.6105.3161.7-71.6-174.3179.7179.80102.5Q172 A176Q172-K174 VanDerWaalsContact C-N 3.32Å; Q172-K174 PolarHBondContact O-N 3.29Å; K174-A176 PolarHBondContact O-N 2.97Å
175S46Very low62.7Low98 Ų98118.5 Ų118.569%0.68563%0.634SS**  trans-41.811216655.40000105.9S173 F177S173-S175 PolarHBondContact O-N 3.36Å; S175-F177 PolarHBondContact O-N 2.71Å
176A47.8Very low60.5Low93 Ų93122 Ų12277%0.76967%0.67SS**  trans-51.5123.3173.600000106K174K174-A176 PolarHBondContact O-N 2.97Å
177F56.6Low58.1Low191 Ų191128.2 Ų128.284%0.83871%0.708SS**  trans-46.9128.7178.2-83.5-94.1000108.7S175 L179S175-F177 PolarHBondContact O-N 2.71Å; F177-L179 PolarHBondContact O-N 2.56Å
178P52.6Low56.2Low116 Ų116127.9 Ų127.975%0.75373%0.727SS**  trans-60.3113.2166.1-11.924.7000106.4P180P178-P180 WeakPolarHBondContact O-CD 3.12Å
179L55.1Low54Low162 Ų162131.5 Ų131.585%0.84876%0.755SS**PPolyproline II helixtrans-55.7124.9170.1-76.2165.1000107.3F177 G181F177-L179 PolarHBondContact O-N 2.56Å; L179-G181 PolarHBondContact O-N 2.93Å; L179-G181 VanDerWaalsContact O-N 3.1Å
180P50.8Low51.8Low121 Ų121136.6 Ų136.679%0.78678%0.782SS**PPolyproline II helixtrans-59.1120.8175.2-20.831.3000108.9P178 R182P178-P180 WeakPolarHBondContact O-CD 3.12Å; P180-R182 PolarHBondContact O-N 3.44Å
181G54.1Low50.1Low66 Ų66138 Ų13868%0.6879%0.792SS**PPolyproline II helixtrans-49.6126.6173.400000110.2L179 K183L179-G181 PolarHBondContact O-N 2.93Å; L179-G181 VanDerWaalsContact O-N 3.1Å; G181-K183 PolarHBondContact O-N 2.86Å
182R47.6Very low49Very low251 Ų251144.4 Ų144.495%0.94782%0.819SS**  trans-61.996.8176.6-166.6173.5176.3172.1-2.1108.1P180 S184P180-R182 PolarHBondContact O-N 3.44Å; R182-S184 PolarHBondContact O-N 3Å
183K47.3Very low48.7Very low194 Ų194142.5 Ų142.584%0.84382%0.817SS**  trans-58.7120.8170.6-78.1-174.2176.3-179.30108.1G181 K185G181-K183 PolarHBondContact O-N 2.86Å; K183-K185 PolarHBondContact O-N 3.24Å; K183-K185 VanDerWaalsContact O-N 3.12Å
184S54.6Low48.7Very low119 Ų119143.8 Ų143.883%0.83282%0.817SS**  trans-60112.2163.653.10000108R182R182-S184 PolarHBondContact O-N 3Å
185K47.3Very low48.9Very low194 Ų194140.6 Ų140.684%0.84381%0.813SS**  trans-95.199.2159.4-88.4-168.9172.8-1750106.8K183K183-K185 PolarHBondContact O-N 3.24Å; K183-K185 VanDerWaalsContact O-N 3.12Å
186G49.3Very low49.1Very low73 Ų73143.1 Ų143.175%0.75382%0.821SS**  trans-67.3134.6147.500000108.4
187T43.6Very low49.2Very low134 Ų134146.2 Ų146.282%0.82282%0.824SS**  trans-141.4129.6153.236.10000107
188A51.2Low48.7Very low94 Ų94143.2 Ų143.278%0.77782%0.823SS**  trans-79.1-178.8-174.200000113.4
189S46.3Very low48.4Very low110 Ų110145.1 Ų145.177%0.76983%0.828SS**  trans85.5138.4159.5-63.10000116.1
190N42.3Very low47.9Very low131 Ų131143.8 Ų143.870%0.70183%0.827SS**  cis-171.6169.5-9.5-128.531.4000107.2
191D45Very low47.7Very low143 Ų143145.8 Ų145.877%0.76583%0.83SS**  trans76.4124.3161.7-44.7-30.2000115.6
192I43.5Very low47.1Very low240 Ų240153 Ų153100%1.23184%0.844SS**  cis-137.4041.3-68.1160.9000110.9

Retrieved 192 of 192 residues in 277.6 ms (Link to these results)

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