A0A077Z8V1_TRITR Loading...

VWA 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8V1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 291 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
1M78.5Confident92.4Very high112 Ų11265.6 Ų65.655%0.55237%0.367SS*.  0138.70-63.7172.865.600107.3E5 C6 I9 V148M1-E5 VanDerWaalsContact CA-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-C6 WeakPolarHBondContact CB-SG 3.49Å; M1-I9 HydrophobicContact CE-CD1 3.14Å; M1-I9 HydrophobicContact CE-CG1 4.48Å; M1-V148 HydrophobicContact CE-CG1 4.45Å
2S89.3Confident92.8Very high53 Ų5371 Ų7137%0.37139%0.387SS..  trans-71158.6172.275.80000110.2E4 E5 C6S2-E4 VanDerWaalsContact C-N 3.25Å; S2-E4 PolarHBondContact O-N 3.39Å; S2-E5 PolarHBondContact N-OE2 3.18Å; S2-E5 PolarHBondContact O-N 2.99Å; S2-E5 WeakPolarHBondContact OG-CB 3.24Å; S2-E5 WeakPolarHBondContact OG-CG 3.32Å; S2-E5 PolarHBondContact OG-N 3Å; S2-E5 VanDerWaalsContact OG-N 3.15Å; S2-C6 PolarHBondContact O-N 3.31Å; S2-C6 PolarHBondContact O-SG 2.94Å; S2-C6 VanDerWaalsContact O-SG 3.4Å
3A89.8Confident93Very high64 Ų6467.8 Ų67.853%0.52937%0.367SS..Hα-helixtrans-61.4-35.9177.800000112.1C6 L7A3-C6 PolarHBondContact O-N 3.16Å; A3-L7 WeakPolarHBondContact O-CB 3.47Å; A3-L7 PolarHBondContact O-N 2.74Å
4E92.4Very high93.3Very high164 Ų16464.8 Ų64.877%0.76635%0.352SS*.Hα-helixtrans-67.6-41.2177.4-65.3179.517500112.2S2 L7 S8S2-E4 VanDerWaalsContact C-N 3.25Å; S2-E4 PolarHBondContact O-N 3.39Å; E4-L7 PolarHBondContact O-N 3.21Å; E4-S8 PolarHBondContact O-N 3.19Å
5E94Very high93.5Very high106 Ų10673.5 Ų73.550%0.49538%0.378SS..Hα-helixtrans-60.8-46.4173.3-74.8166.1178.500111M1 S2 L7 S8 I9M1-E5 VanDerWaalsContact CA-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; S2-E5 PolarHBondContact N-OE2 3.18Å; S2-E5 PolarHBondContact O-N 2.99Å; S2-E5 WeakPolarHBondContact OG-CB 3.24Å; S2-E5 WeakPolarHBondContact OG-CG 3.32Å; S2-E5 PolarHBondContact OG-N 3Å; S2-E5 VanDerWaalsContact OG-N 3.15Å; E5-L7 VanDerWaalsContact C-N 3.32Å; E5-L7 PolarHBondContact O-N 3.31Å; E5-S8 PolarHBondContact O-N 2.89Å; E5-I9 WeakPolarHBondContact O-CB 3.48Å; E5-I9 WeakPolarHBondContact O-CG1 3.39Å; E5-I9 PolarHBondContact O-N 2.86Å
6C93.9Very high93.7Very high0 Ų076.3 Ų76.30%039%0.386CS..Hα-helixtrans-61.1-40.7177.9-71.10000112.1M1 S2 A3 I9 W10 A145 V148 Q149M1-C6 WeakPolarHBondContact CB-SG 3.49Å; S2-C6 PolarHBondContact O-N 3.31Å; S2-C6 PolarHBondContact O-SG 2.94Å; S2-C6 VanDerWaalsContact O-SG 3.4Å; A3-C6 PolarHBondContact O-N 3.16Å; C6-I9 PolarHBondContact O-N 2.99Å; C6-W10 WeakPolarHBondContact O-CB 3.29Å; C6-W10 PolarHBondContact O-N 3.47Å; C6-A145 HydrophobicContact CB-CB 4.37Å; C6-V148 HydrophobicContact CB-CG1 4.5Å; C6-Q149 HydrophobicContact CB-CB 4.33Å
7L95.6Very high93.9Very high60 Ų6071.8 Ų71.831%0.31436%0.364SS..Hα-helixtrans-66-42.5176.2-177.563000112.1A3 E4 E5 W10 T11 D141 L142 A145A3-L7 WeakPolarHBondContact O-CB 3.47Å; A3-L7 PolarHBondContact O-N 2.74Å; E4-L7 PolarHBondContact O-N 3.21Å; E5-L7 VanDerWaalsContact C-N 3.32Å; E5-L7 PolarHBondContact O-N 3.31Å; L7-W10 PolarHBondContact O-N 3.05Å; L7-T11 HydrophobicContact CD1-CG2 4.16Å; L7-T11 WeakPolarHBondContact O-CB 3.2Å; L7-T11 VanDerWaalsContact O-CG2 3.28Å; L7-T11 WeakPolarHBondContact O-CG2 3.31Å; L7-T11 PolarHBondContact O-N 3.27Å; L7-T11 PolarHBondContact O-OG1 3.34Å; L7-D141 HydrophobicContact CD1-CB 4.1Å; L7-L142 HydrophobicContact CD1-CD2 4.38Å; L7-L142 HydrophobicContact CD2-CD2 4.49Å; L7-A145 HydrophobicContact CB-CB 3.98Å; L7-A145 HydrophobicContact CD1-CB 4Å
8S96.2Very high94.1Very high72 Ų7273.6 Ų73.650%0.50337%0.37SS..Hα-helixtrans-61.7-44.7175.7-177.20000111.8E4 E5 T11 Q12E4-S8 PolarHBondContact O-N 3.19Å; E5-S8 PolarHBondContact O-N 2.89Å; S8-T11 PolarHBondContact O-OG1 3.29Å; S8-Q12 WeakPolarHBondContact O-CB 3.19Å; S8-Q12 PolarHBondContact O-N 2.95Å
9I94.2Very high94.3Very high54 Ų5474.3 Ų74.328%0.27738%0.383SS..Hα-helixtrans-64.8-47.1178.6-73.9164.7000111.1M1 E5 C6 Q12 F13 V148M1-I9 HydrophobicContact CE-CD1 3.14Å; M1-I9 HydrophobicContact CE-CG1 4.48Å; E5-I9 WeakPolarHBondContact O-CB 3.48Å; E5-I9 WeakPolarHBondContact O-CG1 3.39Å; E5-I9 PolarHBondContact O-N 2.86Å; C6-I9 PolarHBondContact O-N 2.99Å; I9-Q12 WeakPolarHBondContact O-CB 3.3Å; I9-Q12 PolarHBondContact O-N 3.13Å; I9-F13 HydrophobicContact CG2-CD2 3.8Å; I9-F13 HydrophobicContact CG2-CE2 3.4Å; I9-F13 VanDerWaalsContact CG2-CE2 3.4Å; I9-F13 HydrophobicContact CG2-CZ 4.46Å; I9-F13 WeakPolarHBondContact O-CD2 3.42Å; I9-F13 PolarHBondContact O-N 3.45Å; I9-F13 VanDerWaalsContact O-N 3.12Å; I9-V148 HydrophobicContact CG2-CG1 4.18Å
10W96.6Very high94.5Very high1 Ų171.8 Ų71.80%0.00437%0.37CS..Hα-helixtrans-58.9-50.8177.3174-103.4000111.8C6 L7 Q12 F13 V14 L105 A106 F139 D141 V148C6-W10 WeakPolarHBondContact O-CB 3.29Å; C6-W10 PolarHBondContact O-N 3.47Å; L7-W10 PolarHBondContact O-N 3.05Å; W10-Q12 PolarHBondContact O-N 3.08Å; W10-F13 PolarHBondContact O-N 3.19Å; W10-V14 HydrophobicContact CD2-CG2 4.1Å; W10-V14 VanDerWaalsContact CE2-CG2 3.41Å; W10-V14 HydrophobicContact CG-CG2 4.4Å; W10-V14 HydrophobicContact CZ2-CG2 3.68Å; W10-V14 VanDerWaalsContact NE1-CG2 3.31Å; W10-V14 WeakPolarHBondContact O-CG2 3.32Å; W10-V14 PolarHBondContact O-N 3.23Å; W10-L105 HydrophobicContact CH2-CD2 4.38Å; W10-L105 HydrophobicContact CH2-CG 4.14Å; W10-L105 HydrophobicContact CZ3-CD2 3.88Å; W10-L105 HydrophobicContact CZ3-CG 4Å; W10-A106 VanDerWaalsContact CH2-CA 3.49Å; W10-A106 HydrophobicContact CH2-CB 3.77Å; W10-A106 HydrophobicContact CZ2-CB 4.34Å; W10-A106 HydrophobicContact CZ3-CB 3.9Å; W10-F139 HydrophobicContact CH2-CD1 4.42Å; W10-F139 AromaticContact CH2-CE1 3.57Å; W10-F139 HydrophobicContact CH2-CE1 3.57Å; W10-F139 HydrophobicContact CH2-CZ 4.37Å; W10-F139 HydrophobicContact CZ2-CD1 4.08Å; W10-F139 AromaticContact CZ2-CE1 3.49Å; W10-F139 HydrophobicContact CZ2-CE1 3.49Å; W10-F139 VanDerWaalsContact CZ2-CE1 3.49Å; W10-D141 PolarHBondContact NE1-OD1 3.24Å; W10-D141 VanDerWaalsContact NE1-OD1 3.09Å; W10-V148 HydrophobicContact CB-CG2 4.31Å; W10-V148 HydrophobicContact CE3-CG2 3.78Å
11T96.2Very high94.6Very high36 Ų3668.4 Ų68.422%0.22135%0.353CS..Hα-helixtrans-62.5-31.9-179.452.90000112.6L7 S8 R15 D141L7-T11 HydrophobicContact CD1-CG2 4.16Å; L7-T11 WeakPolarHBondContact O-CB 3.2Å; L7-T11 VanDerWaalsContact O-CG2 3.28Å; L7-T11 WeakPolarHBondContact O-CG2 3.31Å; L7-T11 PolarHBondContact O-N 3.27Å; L7-T11 PolarHBondContact O-OG1 3.34Å; S8-T11 PolarHBondContact O-OG1 3.29Å; T11-R15 VanDerWaalsContact O-CG 3.3Å; T11-R15 WeakPolarHBondContact O-CG 3.35Å; T11-R15 PolarHBondContact O-N 3.04Å; T11-D141 HydrophobicContact CG2-CB 4.31Å
12Q96.6Very high95.4Very high130 Ų13065.9 Ų65.961%0.60734%0.344SS*.Hα-helixtrans-63.8-45.4171.7-175.5177.9-0.400111.9S8 I9 W10 R15 F16S8-Q12 WeakPolarHBondContact O-CB 3.19Å; S8-Q12 PolarHBondContact O-N 2.95Å; I9-Q12 WeakPolarHBondContact O-CB 3.3Å; I9-Q12 PolarHBondContact O-N 3.13Å; W10-Q12 PolarHBondContact O-N 3.08Å; Q12-R15 PolarHBondContact O-N 2.8Å; Q12-F16 WeakPolarHBondContact O-CB 3.27Å; Q12-F16 PolarHBondContact O-N 2.99Å
13F96.4Very high95.8Very high29 Ų2966.9 Ų66.913%0.12734%0.342CS..Hα-helixtrans-65.6-39.1176.5-71.7-55.2000113I9 W10 R15 F16 T17 Q99 I102 E103 A106I9-F13 HydrophobicContact CG2-CD2 3.8Å; I9-F13 HydrophobicContact CG2-CE2 3.4Å; I9-F13 VanDerWaalsContact CG2-CE2 3.4Å; I9-F13 HydrophobicContact CG2-CZ 4.46Å; I9-F13 WeakPolarHBondContact O-CD2 3.42Å; I9-F13 PolarHBondContact O-N 3.45Å; I9-F13 VanDerWaalsContact O-N 3.12Å; W10-F13 PolarHBondContact O-N 3.19Å; F13-R15 VanDerWaalsContact C-N 3.35Å; F13-R15 PolarHBondContact O-N 2.9Å; F13-F16 PolarHBondContact O-N 3.27Å; F13-T17 WeakPolarHBondContact O-CB 3.41Å; F13-T17 WeakPolarHBondContact O-CG2 2.9Å; F13-T17 PolarHBondContact O-N 3.5Å; F13-T17 PolarHBondContact O-OG1 3.22Å; F13-Q99 HydrophobicContact CE1-CG 3.83Å; F13-Q99 HydrophobicContact CZ-CG 4.21Å; F13-I102 HydrophobicContact CD2-CB 4.19Å; F13-I102 HydrophobicContact CD2-CG2 3.31Å; F13-I102 HydrophobicContact CE2-CB 4.02Å; F13-I102 HydrophobicContact CE2-CD1 4.23Å; F13-I102 HydrophobicContact CE2-CG2 3.54Å; F13-I102 HydrophobicContact CG-CG2 3.99Å; F13-I102 HydrophobicContact CZ-CB 4.46Å; F13-I102 HydrophobicContact CZ-CG2 4.4Å; F13-E103 HydrophobicContact CD1-CG 3.47Å; F13-E103 VanDerWaalsContact CD1-CG 3.47Å; F13-E103 HydrophobicContact CE1-CG 3.76Å; F13-E103 HydrophobicContact CG-CG 4.45Å; F13-A106 HydrophobicContact CB-CB 4.1Å
14V96.1Very high96.1Very high26 Ų2663.9 Ų63.916%0.15832%0.317CS..Hα-helixtrans-59.5-45.8174.1169.90000111.2W10 T17 E18 A106W10-V14 HydrophobicContact CD2-CG2 4.1Å; W10-V14 VanDerWaalsContact CE2-CG2 3.41Å; W10-V14 HydrophobicContact CG-CG2 4.4Å; W10-V14 HydrophobicContact CZ2-CG2 3.68Å; W10-V14 VanDerWaalsContact NE1-CG2 3.31Å; W10-V14 WeakPolarHBondContact O-CG2 3.32Å; W10-V14 PolarHBondContact O-N 3.23Å; V14-T17 PolarHBondContact O-N 2.81Å; V14-E18 PolarHBondContact O-N 2.92Å; V14-E18 VanDerWaalsContact O-N 3.16Å; V14-A106 HydrophobicContact CG2-CB 4.36Å
15R96.8Very high96.2Very high196 Ų19656.3 Ų56.374%0.7428%0.282SS*.Hα-helixtrans-64.3-44.2176.8-73175-177.7-174.62.6112T11 Q12 F13 T17 E18T11-R15 VanDerWaalsContact O-CG 3.3Å; T11-R15 WeakPolarHBondContact O-CG 3.35Å; T11-R15 PolarHBondContact O-N 3.04Å; Q12-R15 PolarHBondContact O-N 2.8Å; F13-R15 VanDerWaalsContact C-N 3.35Å; F13-R15 PolarHBondContact O-N 2.9Å; R15-T17 VanDerWaalsContact C-N 3.3Å; R15-T17 PolarHBondContact O-N 2.86Å; R15-E18 WeakPolarHBondContact O-CB 3.3Å; R15-E18 PolarHBondContact O-N 3.09Å
16F97.1Very high96.2Very high118 Ų11856 Ų5652%0.51828%0.281SS..Hα-helixtrans-62.3-38.8-179.7178.5-108.5000112.4Q12 F13 E103 I270Q12-F16 WeakPolarHBondContact O-CB 3.27Å; Q12-F16 PolarHBondContact O-N 2.99Å; F13-F16 PolarHBondContact O-N 3.27Å; F16-E103 HydrophobicContact CD1-CG 4.16Å; F16-E103 HydrophobicContact CE1-CG 4.37Å; F16-E103 WeakPolarHBondContact CE1-OE1 3.48Å; F16-I270 HydrophobicContact CE1-CG2 4.03Å
17T97Very high96.1Very high0 Ų060.8 Ų60.80%030%0.299CS..THydrogen-bonded Turntrans-92.35.2-177.158.70000113.9F13 V14 R15 S19 L20 S21 E103 L107 I270F13-T17 WeakPolarHBondContact O-CB 3.41Å; F13-T17 WeakPolarHBondContact O-CG2 2.9Å; F13-T17 PolarHBondContact O-N 3.5Å; F13-T17 PolarHBondContact O-OG1 3.22Å; V14-T17 PolarHBondContact O-N 2.81Å; R15-T17 VanDerWaalsContact C-N 3.3Å; R15-T17 PolarHBondContact O-N 2.86Å; T17-S19 PolarHBondContact O-N 3.29Å; T17-L20 PolarHBondContact O-N 2.79Å; T17-S21 WeakPolarHBondContact O-CB 3.29Å; T17-S21 PolarHBondContact O-N 3.27Å; T17-E103 HydrophobicContact CG2-CB 4.03Å; T17-E103 HydrophobicContact CG2-CG 4.33Å; T17-L107 HydrophobicContact CG2-CB 4.16Å; T17-I270 HydrophobicContact CG2-CG1 4.49Å
18E96.8Very high95.9Very high104 Ų10458 Ų5849%0.48628%0.284SS..Hα-helixtrans-58-50.2-171.7-179.7168.1-153.600112.6V14 R15 L20 S21 V22 R114V14-E18 PolarHBondContact O-N 2.92Å; V14-E18 VanDerWaalsContact O-N 3.16Å; R15-E18 WeakPolarHBondContact O-CB 3.3Å; R15-E18 PolarHBondContact O-N 3.09Å; E18-L20 PolarHBondContact O-N 2.85Å; E18-S21 PolarHBondContact O-N 3.31Å; E18-S21 PolarHBondContact O-OG 2.87Å; E18-V22 PolarHBondContact O-N 2.91Å; E18-V22 VanDerWaalsContact O-N 3.14Å; E18-R114 IonicContact OE1-NH2 2.7Å; E18-R114 PolarHBondContact OE1-NH2 2.99Å
19S97.9Very high95.5Very high87 Ų8759.8 Ų59.861%0.60828%0.28SS*.Hα-helixtrans-62.1-43179.655.60000112.2T17 S21 V22 E23T17-S19 PolarHBondContact O-N 3.29Å; S19-S21 VanDerWaalsContact C-N 3.33Å; S19-S21 PolarHBondContact O-N 3.43Å; S19-V22 PolarHBondContact O-N 3.08Å; S19-E23 PolarHBondContact O-N 3.4Å
20L97.9Very high95Very high24 Ų2461.2 Ų61.213%0.12630%0.3CS..Hα-helixtrans-66.7-34.6177.9-58.8177.7000111.9T17 E18 V22 E23 L24 L107 I270 P274T17-L20 PolarHBondContact O-N 2.79Å; E18-L20 PolarHBondContact O-N 2.85Å; L20-V22 VanDerWaalsContact C-N 3.32Å; L20-V22 PolarHBondContact O-N 3Å; L20-E23 PolarHBondContact O-N 2.76Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.04Å; L20-L107 HydrophobicContact CB-CD1 3.44Å; L20-L107 VanDerWaalsContact CB-CD1 3.44Å; L20-L107 HydrophobicContact CB-CG 3.93Å; L20-L107 HydrophobicContact CD1-CD1 3.86Å; L20-L107 HydrophobicContact CG-CD1 4.3Å; L20-I270 HydrophobicContact CD1-CG1 4.12Å; L20-I270 HydrophobicContact CD1-CG2 4.3Å; L20-P274 HydrophobicContact CB-CG 3.92Å; L20-P274 HydrophobicContact CD2-CG 4.17Å
21S96.5Very high94.4Very high1 Ų162.1 Ų62.11%0.00731%0.305CS..Hα-helixtrans-66.1-35.5175.580.10000112T17 E18 S19 C25 A111T17-S21 WeakPolarHBondContact O-CB 3.29Å; T17-S21 PolarHBondContact O-N 3.27Å; E18-S21 PolarHBondContact O-N 3.31Å; E18-S21 PolarHBondContact O-OG 2.87Å; S19-S21 VanDerWaalsContact C-N 3.33Å; S19-S21 PolarHBondContact O-N 3.43Å; S21-C25 VanDerWaalsContact O-CB 3.29Å; S21-C25 WeakPolarHBondContact O-CB 3.33Å; S21-C25 PolarHBondContact O-N 3.35Å; S21-A111 WeakPolarHBondContact O-CB 3.33Å
22V96.8Very high93.7Very high59 Ų5960.5 Ų60.536%0.35829%0.294SS..Hα-helixtrans-67.7-46.1173.71740000109.9E18 S19 L20 L24 C25 E26E18-V22 PolarHBondContact O-N 2.91Å; E18-V22 VanDerWaalsContact O-N 3.14Å; S19-V22 PolarHBondContact O-N 3.08Å; L20-V22 VanDerWaalsContact C-N 3.32Å; L20-V22 PolarHBondContact O-N 3Å; V22-L24 PolarHBondContact O-N 3.28Å; V22-C25 WeakPolarHBondContact O-CB 3.26Å; V22-C25 PolarHBondContact O-N 3.41Å; V22-E26 WeakPolarHBondContact O-CG 3.46Å; V22-E26 PolarHBondContact O-N 3.49Å
23E96.9Very high92.6Very high74 Ų7458 Ų5835%0.34629%0.288SS..Hα-helixtrans-58.5-47.9176.7-172.5-176.6160.200112S19 L20 C25 E26 R27 P274S19-E23 PolarHBondContact O-N 3.4Å; L20-E23 PolarHBondContact O-N 2.76Å; E23-C25 VanDerWaalsContact C-N 3.32Å; E23-C25 PolarHBondContact O-N 3.06Å; E23-E26 PolarHBondContact O-N 3.09Å; E23-R27 WeakPolarHBondContact O-CG 3.43Å; E23-R27 PolarHBondContact O-N 3.2Å; E23-R27 IonicContact OE1-CZ 3.84Å; E23-R27 VanDerWaalsContact OE1-CZ 3.31Å; E23-R27 IonicContact OE1-NE 2.73Å; E23-R27 PolarHBondContact OE1-NE 3.07Å; E23-R27 IonicContact OE1-NH2 2.65Å; E23-R27 PolarHBondContact OE1-NH2 3.05Å; E23-P274 HydrophobicContact CB-CB 4.16Å; E23-P274 HydrophobicContact CB-CG 4.45Å; E23-P274 HydrophobicContact CG-CB 3.97Å
24L96.2Very high91.2Very high1 Ų158.2 Ų58.21%0.00529%0.292CS..Hα-helixtrans-61.9-41.4177.5179.160.2000110.9L20 V22 E26 R27 L28 L107 I108 A111 P274 V277L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.04Å; V22-L24 PolarHBondContact O-N 3.28Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 2.79Å; L24-R27 PolarHBondContact O-N 2.93Å; L24-L28 HydrophobicContact CD1-CD1 3.78Å; L24-L28 HydrophobicContact CD1-CD2 4.1Å; L24-L28 HydrophobicContact CD1-CG 3.66Å; L24-L28 HydrophobicContact CD2-CD1 4.31Å; L24-L28 HydrophobicContact CG-CD1 3.75Å; L24-L28 HydrophobicContact CG-CG 4.05Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 VanDerWaalsContact O-CG 3.22Å; L24-L28 WeakPolarHBondContact O-CG 3.1Å; L24-L28 PolarHBondContact O-N 2.98Å; L24-L107 HydrophobicContact CB-CD2 3.91Å; L24-L107 HydrophobicContact CD2-CD2 3.37Å; L24-L107 HydrophobicContact CG-CD2 4.26Å; L24-I108 HydrophobicContact CD2-CG1 4.23Å; L24-A111 HydrophobicContact CB-CB 3.83Å; L24-A111 HydrophobicContact CD2-CB 3.68Å; L24-A111 HydrophobicContact CG-CB 3.75Å; L24-P274 HydrophobicContact CB-CB 4.02Å; L24-P274 HydrophobicContact CB-CG 4.41Å; L24-V277 HydrophobicContact CD1-CB 4.1Å; L24-V277 HydrophobicContact CD1-CG1 3.92Å
25C94.4Very high89.7Confident4 Ų458.7 Ų58.73%0.02730%0.295CS..Hα-helixtrans-58-44.8176.1178.40000112.2S21 V22 E23 L28 R29 A111 R114S21-C25 VanDerWaalsContact O-CB 3.29Å; S21-C25 WeakPolarHBondContact O-CB 3.33Å; S21-C25 PolarHBondContact O-N 3.35Å; V22-C25 WeakPolarHBondContact O-CB 3.26Å; V22-C25 PolarHBondContact O-N 3.41Å; E23-C25 VanDerWaalsContact C-N 3.32Å; E23-C25 PolarHBondContact O-N 3.06Å; C25-L28 PolarHBondContact O-N 3Å; C25-R29 WeakPolarHBondContact O-CB 3.33Å; C25-R29 PolarHBondContact O-N 2.94Å; C25-A111 HydrophobicContact CB-CB 4.45Å; C25-R114 HydrophobicContact CB-CB 4.37Å
26E93.6Very high87.9Confident99 Ų9950.7 Ų50.746%0.46327%0.268SS..Hα-helixtrans-64-44.4177.8-67.3-56133.900112V22 E23 L24 R29V22-E26 WeakPolarHBondContact O-CG 3.46Å; V22-E26 PolarHBondContact O-N 3.49Å; E23-E26 PolarHBondContact O-N 3.09Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 2.79Å; E26-R29 WeakPolarHBondContact O-CB 3.37Å; E26-R29 PolarHBondContact O-N 3.46Å; E26-R29 IonicContact OE1-CZ 3.02Å; E26-R29 IonicContact OE1-NH1 3.46Å; E26-R29 PolarHBondContact OE1-NH1 3.5Å; E26-R29 IonicContact OE1-NH2 3.8Å; E26-R29 PolarHBondContact OE1-NH2 3.22Å; E26-R29 IonicContact OE2-CZ 2.95Å; E26-R29 IonicContact OE2-NH1 3.75Å; E26-R29 PolarHBondContact OE2-NH1 2.89Å; E26-R29 IonicContact OE2-NH2 2.64Å
27R92.5Very high86Confident101 Ų10146.3 Ų46.338%0.38125%0.254SS..Hα-helixtrans-61.5-47.3176.5-70.4176.2-179.7-92.21.9111.5E23 L24 R29 I31 P274E23-R27 WeakPolarHBondContact O-CG 3.43Å; E23-R27 PolarHBondContact O-N 3.2Å; E23-R27 IonicContact OE1-CZ 3.84Å; E23-R27 VanDerWaalsContact OE1-CZ 3.31Å; E23-R27 IonicContact OE1-NE 2.73Å; E23-R27 PolarHBondContact OE1-NE 3.07Å; E23-R27 IonicContact OE1-NH2 2.65Å; E23-R27 PolarHBondContact OE1-NH2 3.05Å; L24-R27 PolarHBondContact O-N 2.93Å; R27-R29 PolarHBondContact O-N 3.05Å; R27-I31 WeakPolarHBondContact O-CD1 3.39Å; R27-P274 WeakPolarHBondContact CD-O 3.45Å
28L91.1Very high84.4Confident2 Ų247.9 Ų47.91%0.0127%0.265CS..Hα-helixtrans-69.1-21.4-179.8-67.5-177.2000113.2L24 C25 A30 I31 L32 L112 L115 L281L24-L28 HydrophobicContact CD1-CD1 3.78Å; L24-L28 HydrophobicContact CD1-CD2 4.1Å; L24-L28 HydrophobicContact CD1-CG 3.66Å; L24-L28 HydrophobicContact CD2-CD1 4.31Å; L24-L28 HydrophobicContact CG-CD1 3.75Å; L24-L28 HydrophobicContact CG-CG 4.05Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 VanDerWaalsContact O-CG 3.22Å; L24-L28 WeakPolarHBondContact O-CG 3.1Å; L24-L28 PolarHBondContact O-N 2.98Å; C25-L28 PolarHBondContact O-N 3Å; L28-A30 VanDerWaalsContact C-N 3.28Å; L28-A30 PolarHBondContact O-N 2.85Å; L28-I31 PolarHBondContact O-N 2.89Å; L28-I31 VanDerWaalsContact O-N 3.13Å; L28-L32 HydrophobicContact CB-CD1 4.11Å; L28-L32 HydrophobicContact CB-CG 4.48Å; L28-L32 HydrophobicContact CD1-CD1 4.12Å; L28-L32 HydrophobicContact CD2-CD1 4.35Å; L28-L32 HydrophobicContact CG-CD1 4.43Å; L28-L32 PolarHBondContact O-N 3.12Å; L28-L112 HydrophobicContact CD1-CD2 3.92Å; L28-L115 HydrophobicContact CB-CD2 3.44Å; L28-L115 VanDerWaalsContact CB-CD2 3.44Å; L28-L281 HydrophobicContact CD2-CB 4.48Å; L28-L281 HydrophobicContact CD2-CD1 3.47Å; L28-L281 VanDerWaalsContact CD2-CD1 3.47Å
29R88.8Confident83Confident110 Ų11050.4 Ų50.442%0.41527%0.27SS..Hα-helixtrans-60.3-37.7-178.3-172.9172.9-63.5140.211.4113.3C25 E26 R27 R78 L115C25-R29 WeakPolarHBondContact O-CB 3.33Å; C25-R29 PolarHBondContact O-N 2.94Å; E26-R29 WeakPolarHBondContact O-CB 3.37Å; E26-R29 PolarHBondContact O-N 3.46Å; E26-R29 IonicContact OE1-CZ 3.02Å; E26-R29 IonicContact OE1-NH1 3.46Å; E26-R29 PolarHBondContact OE1-NH1 3.5Å; E26-R29 IonicContact OE1-NH2 3.8Å; E26-R29 PolarHBondContact OE1-NH2 3.22Å; E26-R29 IonicContact OE2-CZ 2.95Å; E26-R29 IonicContact OE2-NH1 3.75Å; E26-R29 PolarHBondContact OE2-NH1 2.89Å; E26-R29 IonicContact OE2-NH2 2.64Å; R27-R29 PolarHBondContact O-N 3.05Å; R29-R78 PolarHBondContact O-NH2 2.9Å; R29-L115 HydrophobicContact CB-CD1 3.93Å; R29-L115 HydrophobicContact CG-CD1 4.11Å
30A82.3Confident82.1Confident83 Ų8348.9 Ų48.969%0.68625%0.254SS*.Hα-helixtrans-78.7-30177.300000112.4L28L28-A30 VanDerWaalsContact C-N 3.28Å; L28-A30 PolarHBondContact O-N 2.85Å
31I83.6Confident81.2Confident21 Ų2151.4 Ų51.411%0.10827%0.266CS..Hα-helixtrans-84.5-56.8-173.4-63.1166.5000110.7R27 L28 V33 G278 L281 C282 F285R27-I31 WeakPolarHBondContact O-CD1 3.39Å; L28-I31 PolarHBondContact O-N 2.89Å; L28-I31 VanDerWaalsContact O-N 3.13Å; I31-V33 VanDerWaalsContact C-N 3.27Å; I31-V33 PolarHBondContact O-N 3.17Å; I31-G278 WeakPolarHBondContact CD1-O 3.39Å; I31-L281 HydrophobicContact CG2-CB 3.99Å; I31-C282 HydrophobicContact CD1-CB 3.93Å; I31-C282 HydrophobicContact CG1-CB 4.18Å; I31-F285 HydrophobicContact CB-CD2 4.48Å; I31-F285 HydrophobicContact CG2-CD2 3.23Å; I31-F285 HydrophobicContact CG2-CE2 3.49Å; I31-F285 VanDerWaalsContact CG2-CE2 3.49Å; I31-F285 HydrophobicContact CG2-CG 4.23Å; I31-F285 WeakPolarHBondContact O-CE1 3.33Å; I31-F285 WeakPolarHBondContact O-CE2 3.44Å; I31-F285 WeakPolarHBondContact O-CZ 3.44Å
32L83.1Confident80.7Confident1 Ų152.8 Ų52.81%0.00528%0.28CS..SBendtrans-78.376.4178.9-62.2174.6000109.6L28 R78 Y80 L112 L115 V117 W284 F285L28-L32 HydrophobicContact CB-CD1 4.11Å; L28-L32 HydrophobicContact CB-CG 4.48Å; L28-L32 HydrophobicContact CD1-CD1 4.12Å; L28-L32 HydrophobicContact CD2-CD1 4.35Å; L28-L32 HydrophobicContact CG-CD1 4.43Å; L28-L32 PolarHBondContact O-N 3.12Å; L32-R78 WeakPolarHBondContact O-CD 3.43Å; L32-R78 PolarHBondContact O-NE 3.19Å; L32-Y80 HydrophobicContact CB-CE2 3.99Å; L32-Y80 HydrophobicContact CD2-CD1 3.9Å; L32-Y80 HydrophobicContact CD2-CE1 3.45Å; L32-Y80 VanDerWaalsContact CD2-CE1 3.45Å; L32-Y80 HydrophobicContact CD2-CE2 4.26Å; L32-Y80 HydrophobicContact CD2-CG 4.49Å; L32-L112 HydrophobicContact CD1-CD2 4.26Å; L32-L115 HydrophobicContact CB-CD2 4.26Å; L32-L115 HydrophobicContact CD1-CD2 3.94Å; L32-V117 HydrophobicContact CD1-CG1 3.7Å; L32-W284 HydrophobicContact CD2-CZ3 4.48Å; L32-F285 HydrophobicContact CD2-CE2 3.67Å; L32-F285 HydrophobicContact CD2-CZ 3.97Å; L32-F285 HydrophobicContact CG-CE2 4.46Å
33V73Confident80.2Confident79 Ų7952.8 Ų52.848%0.47928%0.278SS..  trans-67.1148.1178.8-177.90000110I31 T35 Y80I31-V33 VanDerWaalsContact C-N 3.27Å; I31-V33 PolarHBondContact O-N 3.17Å; V33-T35 PolarHBondContact O-N 3.14Å; V33-Y80 PolarHBondContact N-OH 3.48Å; V33-Y80 PolarHBondContact O-OH 3.34Å
34P67.1Low80Confident32 Ų3252.9 Ų52.921%0.20828%0.276CS..  trans-54.7121.3170.6-26.835.6000112.1R75 R78P34-R75 WeakPolarHBondContact O-CB 3.43Å; P34-R78 HydrophobicContact CB-CG 4.43Å; P34-R78 HydrophobicContact CG-CG 4.25Å
35T64.7Low79.6Confident36 Ų3660.9 Ų60.922%0.22131%0.306CS..  trans-91.2-35.9-178.548.90000112.2V33 R75 K77 S79 Y80V33-T35 PolarHBondContact O-N 3.14Å; T35-R75 VanDerWaalsContact O-CD 3.29Å; T35-R75 WeakPolarHBondContact O-CD 3.42Å; T35-R75 WeakPolarHBondContact O-CG 3.31Å; T35-R75 PolarHBondContact O-NE 2.7Å; T35-K77 PolarHBondContact N-O 3.27Å; T35-K77 VanDerWaalsContact N-O 3.17Å; T35-S79 PolarHBondContact OG1-N 3.09Å; T35-S79 VanDerWaalsContact OG1-N 3.12Å; T35-Y80 HydrophobicContact CG2-CE2 4.4Å
36T57.7Low79.2Confident29 Ų2964.5 Ų64.518%0.17833%0.328CS..EExtended strand (participates in β ladder)trans-96.1134.2-171.9-48.90000113.3S38 R75 A76 K77 S79T36-S38 PolarHBondContact O-N 3.31Å; T36-S38 VanDerWaalsContact O-N 3.09Å; T36-R75 WeakPolarHBondContact O-CA 3.33Å; T36-A76 PolarHBondContact O-N 3.01Å; T36-K77 PolarHBondContact N-O 3.03Å; T36-K77 PolarHBondContact O-N 2.95Å; T36-K77 VanDerWaalsContact O-N 3.14Å; T36-S79 WeakPolarHBondContact OG1-CB 3.36Å
37A57.9Low78.9Confident26 Ų2661.1 Ų61.122%0.21532%0.32CS..EExtended strand (participates in β ladder)trans-73.193.217600000112.9R72 K74A37-R72 WeakPolarHBondContact CB-O 3.44Å; A37-K74 CarbonylContact C-O 3.56Å; A37-K74 WeakPolarHBondContact CA-O 3.36Å
38S64.5Low78.6Confident33 Ų3364.6 Ų64.623%0.23134%0.338CS..EExtended strand (participates in β ladder)trans-107.4-26.1-177.9690000114T36 R72 K74 A76 K77T36-S38 PolarHBondContact O-N 3.31Å; T36-S38 VanDerWaalsContact O-N 3.09Å; S38-R72 WeakPolarHBondContact O-CD 3.19Å; S38-R72 WeakPolarHBondContact O-CG 3.35Å; S38-R72 PolarHBondContact O-NH1 3.05Å; S38-K74 PolarHBondContact N-O 3.37Å; S38-A76 VanDerWaalsContact OG-CB 3.3Å; S38-A76 WeakPolarHBondContact OG-CB 3.22Å; S38-K77 PolarHBondContact OG-N 2.84Å
39R67.2Low78.5Confident156 Ų15672.1 Ų72.159%0.58937%0.366SS*.EExtended strand (participates in β ladder)trans-91.5141.1-175.2-82.6-177.4-168.2-172.36112R72 T73 K74 A76R39-R72 CarbonylContact O-C 3.56Å; R39-R72 VanDerWaalsContact O-CA 3.31Å; R39-R72 WeakPolarHBondContact O-CA 3.25Å; R39-T73 PolarHBondContact O-N 3.43Å; R39-K74 HydrophobicContact CB-CB 3.75Å; R39-K74 HydrophobicContact CB-CD 4.28Å; R39-K74 HydrophobicContact CB-CG 4.17Å; R39-K74 PolarHBondContact N-O 3.26Å; R39-K74 WeakPolarHBondContact O-CB 3.49Å; R39-K74 PolarHBondContact O-N 3.43Å; R39-A76 HydrophobicContact CB-CB 3.86Å; R39-A76 HydrophobicContact CG-CB 3.48Å; R39-A76 VanDerWaalsContact CG-CB 3.48Å
40L77.9Confident78.5Confident55 Ų5570 Ų7029%0.28836%0.362SS..EExtended strand (participates in β ladder)trans-69.8127.7176.2-73171.7000110.6R49 L70 R71 R72L40-R49 HydrophobicContact CD1-CB 3.8Å; L40-R49 HydrophobicContact CD1-CG 4.39Å; L40-L70 HydrophobicContact CB-CB 4Å; L40-L70 HydrophobicContact CB-CD1 4.26Å; L40-L70 HydrophobicContact CD2-CB 4.03Å; L40-L70 HydrophobicContact CG-CB 4.47Å; L40-R71 CarbonylContact C-O 3.35Å; L40-R71 WeakPolarHBondContact CA-O 3.25Å; L40-R72 HydrophobicContact CD2-CG 3.63Å; L40-R72 HydrophobicContact CG-CG 4.05Å
41Q79.9Confident78.8Confident77 Ų7767.6 Ų67.636%0.3634%0.338SS..EExtended strand (participates in β ladder)trans-151.5178.8172.170.8175.52.100111.4Y44 R71 T73 K74Q41-Y44 VanDerWaalsContact O-CE2 3.29Å; Q41-Y44 WeakPolarHBondContact O-CE2 3.38Å; Q41-R71 PolarHBondContact N-O 3.47Å; Q41-R71 PolarHBondContact O-N 2.87Å; Q41-R71 VanDerWaalsContact O-N 3.08Å; Q41-T73 WeakPolarHBondContact CG-OG1 3.44Å; Q41-T73 VanDerWaalsContact NE2-C 3.33Å; Q41-T73 PolarHBondContact NE2-O 3.31Å; Q41-T73 PolarHBondContact NE2-OG1 3.41Å; Q41-K74 HydrophobicContact CB-CB 4.21Å; Q41-K74 VanDerWaalsContact CD-CB 3.41Å; Q41-K74 HydrophobicContact CG-CB 3.83Å
42G85.4Confident79.1Confident30 Ų3072.1 Ų72.131%0.30936%0.362SS..EExtended strand (participates in β ladder)trans89.7-176.6171.600000114.4L70G42-L70 VanDerWaalsContact O-CD2 3.26Å; G42-L70 WeakPolarHBondContact O-CD2 3.3Å
43D87.5Confident79.4Confident59 Ų5982.9 Ų82.932%0.31640%0.402SS..EExtended strand (participates in β ladder)trans-138.176.5178.3-72.8-29.6000105.7N51 K54 K67D43-N51 PolarHBondContact OD1-ND2 2.81Å; D43-K54 VanDerWaalsContact CG-CE 3.43Å; D43-K54 WeakPolarHBondContact OD2-CE 3.29Å; D43-K54 IonicContact OD2-NZ 3.45Å; D43-K54 PolarHBondContact OD2-NZ 2.92Å; D43-K67 HydrophobicContact CB-CB 4.17Å; D43-K67 WeakPolarHBondContact CB-O 3.41Å; D43-K67 WeakPolarHBondContact O-CB 3.32Å; D43-K67 WeakPolarHBondContact O-CD 3.25Å; D43-K67 VanDerWaalsContact O-CG 3.29Å; D43-K67 WeakPolarHBondContact O-CG 3.5Å
44Y90.8Very high80.3Confident76 Ų7682.6 Ų82.630%0.29839%0.394SS..EExtended strand (participates in β ladder)trans-95.9159.7-175.3-61.3-80.6000110.9Q41 T46 K67 I68 W69 R71 T73Q41-Y44 VanDerWaalsContact O-CE2 3.29Å; Q41-Y44 WeakPolarHBondContact O-CE2 3.38Å; Y44-T46 VanDerWaalsContact C-N 3.29Å; Y44-T46 WeakPolarHBondContact CB-O 3.43Å; Y44-T46 PolarHBondContact O-N 3.22Å; Y44-K67 CarbonylContact O-C 3.58Å; Y44-K67 VanDerWaalsContact O-CA 3.31Å; Y44-K67 WeakPolarHBondContact O-CA 3.47Å; Y44-I68 PolarHBondContact O-N 3.48Å; Y44-I68 VanDerWaalsContact O-N 3.13Å; Y44-W69 PolarHBondContact N-O 3.38Å; Y44-W69 WeakPolarHBondContact O-CB 3.43Å; Y44-W69 PolarHBondContact O-N 3.15Å; Y44-R71 HydrophobicContact CD2-CB 3.71Å; Y44-R71 HydrophobicContact CD2-CG 3.56Å; Y44-R71 HydrophobicContact CE2-CB 3.68Å; Y44-R71 HydrophobicContact CE2-CG 4.03Å; Y44-R71 HydrophobicContact CG-CB 4.47Å; Y44-R71 HydrophobicContact CG-CG 3.89Å; Y44-T73 HydrophobicContact CE2-CG2 4.28Å; Y44-T73 WeakPolarHBondContact OH-CG2 3.42Å; Y44-T73 PolarHBondContact OH-OG1 3.1Å
45R89.5Confident81.4Confident169 Ų16984.8 Ų84.864%0.63840%0.404SS*.SBendtrans-70.9-24.4174.9-69.7-173.1175.4162.11113.6K67 W69R45-K67 HydrophobicContact CG-CG 4.14Å; R45-W69 PolarHBondContact O-NE1 3.35Å
46T86.3Confident82.7Confident81 Ų8189.5 Ų89.550%0.49743%0.426SS..SBendtrans-143155.1175.563.70000109.6Y44 R71Y44-T46 VanDerWaalsContact C-N 3.29Å; Y44-T46 WeakPolarHBondContact CB-O 3.43Å; Y44-T46 PolarHBondContact O-N 3.22Å; T46-R71 PolarHBondContact O-NE 3.28Å; T46-R71 PolarHBondContact OG1-NH2 2.94Å
47G86.8Confident84.4Confident28 Ų2890.4 Ų90.429%0.28943%0.433SS..  trans179.1-168.1178.500000113W69 L70G47-W69 VanDerWaalsContact N-CB 3.34Å; G47-W69 WeakPolarHBondContact O-CZ3 3.48Å; G47-L70 WeakPolarHBondContact CA-O 3.41Å
48K85.5Confident86.2Confident174 Ų17490.7 Ų90.776%0.75743%0.429SS*.SBendtrans-93.2-22.5-175.1-70.4-166.2174.7-173.20113.7L70K48-L70 PolarHBondContact N-O 3.22Å
49R89.2Confident87.6Confident159 Ų15992.9 Ų92.960%0.644%0.441SS*.EExtended strand (participates in β ladder)trans-144.1147.7-179.1-171.1175.6179176.60.4109.9L40 L70L40-R49 HydrophobicContact CD1-CB 3.8Å; L40-R49 HydrophobicContact CD1-CG 4.39Å; R49-L70 HydrophobicContact CB-CB 4.5Å; R49-L70 HydrophobicContact CB-CD1 4.47Å; R49-L70 WeakPolarHBondContact O-CB 3.08Å; R49-L70 PolarHBondContact O-N 3.05Å
50L89.3Confident88.9Confident65 Ų6589.3 Ų89.334%0.3444%0.444SS..EExtended strand (participates in β ladder)trans-79.1136.9174.4-68.2169.8000111.3I52 I68 W69L50-I52 HydrophobicContact CB-CD1 4.48Å; L50-I52 PolarHBondContact O-N 3.33Å; L50-I68 HydrophobicContact CD2-CD1 3.73Å; L50-I68 HydrophobicContact CD2-CG1 3.81Å; L50-W69 HydrophobicContact CD2-CD2 3.77Å; L50-W69 HydrophobicContact CD2-CE3 3.9Å; L50-W69 HydrophobicContact CD2-CG 4.39Å; L50-W69 HydrophobicContact CD2-CH2 4.04Å; L50-W69 HydrophobicContact CD2-CZ2 3.9Å; L50-W69 HydrophobicContact CD2-CZ3 4.04Å; L50-W69 HydrophobicContact CG-CE3 4.37Å; L50-W69 HydrophobicContact CG-CH2 4.45Å; L50-W69 HydrophobicContact CG-CZ3 4.25Å
51N88Confident89.7Confident33 Ų3387.8 Ų87.818%0.17644%0.438CS..  trans-77.496.9167.1-173.8-9.8000108.6D43 R53 K54 I68 L70D43-N51 PolarHBondContact OD1-ND2 2.81Å; N51-R53 PolarHBondContact O-N 2.89Å; N51-R53 VanDerWaalsContact O-N 3.09Å; N51-R53 PolarHBondContact OD1-N 2.68Å; N51-K54 HydrophobicContact CB-CB 4.35Å; N51-K54 HydrophobicContact CB-CG 4.26Å; N51-K54 PolarHBondContact O-N 3.24Å; N51-I68 PolarHBondContact N-O 3.02Å; N51-L70 HydrophobicContact CB-CD1 4.44Å; N51-L70 HydrophobicContact CB-CD2 3.96Å; N51-L70 HydrophobicContact CB-CG 3.97Å
52I90.8Very high90.4Very high117 Ų11790 Ų9060%0.645%0.453SS*.Hα-helixtrans-55.8-31.2-176.1-57.9-57.4000112.3L50 K54 L55L50-I52 HydrophobicContact CB-CD1 4.48Å; L50-I52 PolarHBondContact O-N 3.33Å; I52-K54 PolarHBondContact O-N 2.94Å; I52-L55 VanDerWaalsContact O-CB 3.3Å; I52-L55 WeakPolarHBondContact O-CB 3.43Å; I52-L55 PolarHBondContact O-N 3.25Å
53R89.3Confident90.8Very high226 Ų22695 Ų9585%0.85347%0.467SS*.Hα-helixtrans-65.5-24177.1-63.6-178.3178.7174.8-1.2113.5N51N51-R53 PolarHBondContact O-N 2.89Å; N51-R53 VanDerWaalsContact O-N 3.09Å; N51-R53 PolarHBondContact OD1-N 2.68Å
54K90.2Very high91Very high73 Ų73102.2 Ų102.232%0.31749%0.489SS..Hα-helixtrans-92.8-5.1178.3-67.3-63.7-164.8175.70113.6D43 N51 I52 P57 F58 I68D43-K54 VanDerWaalsContact CG-CE 3.43Å; D43-K54 WeakPolarHBondContact OD2-CE 3.29Å; D43-K54 IonicContact OD2-NZ 3.45Å; D43-K54 PolarHBondContact OD2-NZ 2.92Å; N51-K54 HydrophobicContact CB-CB 4.35Å; N51-K54 HydrophobicContact CB-CG 4.26Å; N51-K54 PolarHBondContact O-N 3.24Å; I52-K54 PolarHBondContact O-N 2.94Å; K54-P57 WeakPolarHBondContact O-CD 3.35Å; K54-F58 VanDerWaalsContact O-CB 3.27Å; K54-F58 WeakPolarHBondContact O-CB 3.48Å; K54-F58 PolarHBondContact O-N 3.13Å; K54-I68 HydrophobicContact CB-CB 4.42Å; K54-I68 HydrophobicContact CB-CG2 4.08Å
55L91.6Very high90.9Very high78 Ų78104 Ų10441%0.40850%0.5SS..Hα-helixtrans-64-45.1-178.4-170.865.5000111.7I52 F58 V59I52-L55 VanDerWaalsContact O-CB 3.3Å; I52-L55 WeakPolarHBondContact O-CB 3.43Å; I52-L55 PolarHBondContact O-N 3.25Å; L55-F58 WeakPolarHBondContact O-CB 3.45Å; L55-F58 PolarHBondContact O-N 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.17Å; L55-V59 PolarHBondContact O-N 2.73Å
56I91Very high91Very high136 Ų13699.1 Ų99.170%0.69749%0.487SS*.Hα-helixtrans-63.9-52.2179.3-62.1172000111.4F58 V59 A60I56-F58 VanDerWaalsContact C-N 3.27Å; I56-F58 PolarHBondContact O-N 3.32Å; I56-V59 PolarHBondContact O-N 3.33Å; I56-A60 VanDerWaalsContact O-CB 3.3Å; I56-A60 WeakPolarHBondContact O-CB 3.36Å; I56-A60 PolarHBondContact O-N 3.25Å
57P95.1Very high91.4Very high47 Ų47101.1 Ų101.131%0.30549%0.488SS..Hα-helixtrans-56.1-37.3173.9-27.433.7000114.2K54 S61K54-P57 WeakPolarHBondContact O-CD 3.35Å; P57-S61 WeakPolarHBondContact O-CB 3.44Å; P57-S61 PolarHBondContact O-N 3Å; P57-S61 PolarHBondContact O-OG 2.89Å
58F94.4Very high91.6Very high33 Ų33100.4 Ų100.415%0.14548%0.478CS..Hα-helixtrans-63-49.1177.3172.8-115.9000112.2K54 L55 I56 S61 F63 Q65 N66 I68K54-F58 VanDerWaalsContact O-CB 3.27Å; K54-F58 WeakPolarHBondContact O-CB 3.48Å; K54-F58 PolarHBondContact O-N 3.13Å; L55-F58 WeakPolarHBondContact O-CB 3.45Å; L55-F58 PolarHBondContact O-N 3.31Å; I56-F58 VanDerWaalsContact C-N 3.27Å; I56-F58 PolarHBondContact O-N 3.32Å; F58-S61 PolarHBondContact O-N 2.65Å; F58-S61 PolarHBondContact O-OG 3.46Å; F58-F63 HydrophobicContact CD1-CD1 4.19Å; F58-F63 AromaticContact CE1-CD1 3.48Å; F58-F63 HydrophobicContact CE1-CD1 3.48Å; F58-F63 VanDerWaalsContact CE1-CD1 3.48Å; F58-F63 HydrophobicContact CE1-CE1 4.11Å; F58-F63 HydrophobicContact CE2-CB 3.89Å; F58-F63 HydrophobicContact CE2-CD1 4.24Å; F58-F63 WeakPolarHBondContact CE2-O 3.48Å; F58-F63 HydrophobicContact CZ-CB 3.93Å; F58-F63 AromaticContact CZ-CD1 3.53Å; F58-F63 HydrophobicContact CZ-CD1 3.53Å; F58-F63 HydrophobicContact CZ-CG 4.23Å; F58-F63 WeakPolarHBondContact O-CA 3.17Å; F58-F63 PolarHBondContact O-N 3.34Å; F58-Q65 WeakPolarHBondContact CD2-O 3.12Å; F58-N66 HydrophobicContact CE2-CB 4.13Å; F58-I68 HydrophobicContact CB-CG2 3.6Å; F58-I68 HydrophobicContact CD1-CD1 3.88Å; F58-I68 HydrophobicContact CD1-CG2 4.41Å; F58-I68 HydrophobicContact CD2-CD1 4.44Å; F58-I68 HydrophobicContact CD2-CG2 3.97Å; F58-I68 HydrophobicContact CE1-CD1 3.8Å; F58-I68 HydrophobicContact CE2-CD1 4.39Å; F58-I68 HydrophobicContact CG-CD1 4.17Å; F58-I68 HydrophobicContact CG-CG2 3.76Å; F58-I68 HydrophobicContact CZ-CD1 4.06Å
59V94.1Very high92Very high79 Ų7996.2 Ų96.248%0.47946%0.457SS..Hα-helixtrans-63.8-47.1175.71760000110.7L55 I56 S61 N62L55-V59 WeakPolarHBondContact O-CG2 3.17Å; L55-V59 PolarHBondContact O-N 2.73Å; I56-V59 PolarHBondContact O-N 3.33Å; V59-S61 PolarHBondContact O-N 3.26Å; V59-N62 PolarHBondContact O-N 3.4Å
60A94.7Very high91.9Very high80 Ų8089.9 Ų89.966%0.66144%0.435SS*.Hα-helixtrans-60.8-27.9178.300000113I56 N62I56-A60 VanDerWaalsContact O-CB 3.3Å; I56-A60 WeakPolarHBondContact O-CB 3.36Å; I56-A60 PolarHBondContact O-N 3.25Å; A60-N62 VanDerWaalsContact C-N 3.25Å; A60-N62 PolarHBondContact O-N 2.89Å
61S94.1Very high91.7Very high23 Ų2391.8 Ų91.816%0.16144%0.438CS..THydrogen-bonded Turntrans-81.97.517675.50000114.6P57 F58 V59 F63 R64 Q65P57-S61 WeakPolarHBondContact O-CB 3.44Å; P57-S61 PolarHBondContact O-N 3Å; P57-S61 PolarHBondContact O-OG 2.89Å; F58-S61 PolarHBondContact O-N 2.65Å; F58-S61 PolarHBondContact O-OG 3.46Å; V59-S61 PolarHBondContact O-N 3.26Å; S61-F63 VanDerWaalsContact C-N 3.32Å; S61-F63 PolarHBondContact O-N 2.88Å; S61-R64 WeakPolarHBondContact O-CB 3.43Å; S61-R64 WeakPolarHBondContact O-CD 3.44Å; S61-R64 VanDerWaalsContact O-CG 3.24Å; S61-R64 WeakPolarHBondContact O-CG 3.3Å; S61-R64 PolarHBondContact O-N 3.48Å; S61-R64 PolarHBondContact OG-N 2.93Å; S61-Q65 PolarHBondContact OG-N 3.45Å
62N94.8Very high91.1Very high124 Ų12497.1 Ų97.166%0.66346%0.456SS*.THydrogen-bonded Turntrans51.850.1-168.4-66.1-50.7000111.7V59 A60 R64V59-N62 PolarHBondContact O-N 3.4Å; A60-N62 VanDerWaalsContact C-N 3.25Å; A60-N62 PolarHBondContact O-N 2.89Å; N62-R64 PolarHBondContact O-N 2.9Å; N62-R64 VanDerWaalsContact O-N 3.16Å
63F93.1Very high90Very high136 Ų13694 Ų9460%0.59644%0.442SS*.THydrogen-bonded Turntrans65.313177.5-47.6-84.5000115.6F58 S61F58-F63 HydrophobicContact CD1-CD1 4.19Å; F58-F63 AromaticContact CE1-CD1 3.48Å; F58-F63 HydrophobicContact CE1-CD1 3.48Å; F58-F63 VanDerWaalsContact CE1-CD1 3.48Å; F58-F63 HydrophobicContact CE1-CE1 4.11Å; F58-F63 HydrophobicContact CE2-CB 3.89Å; F58-F63 HydrophobicContact CE2-CD1 4.24Å; F58-F63 WeakPolarHBondContact CE2-O 3.48Å; F58-F63 HydrophobicContact CZ-CB 3.93Å; F58-F63 AromaticContact CZ-CD1 3.53Å; F58-F63 HydrophobicContact CZ-CD1 3.53Å; F58-F63 HydrophobicContact CZ-CG 4.23Å; F58-F63 WeakPolarHBondContact O-CA 3.17Å; F58-F63 PolarHBondContact O-N 3.34Å; S61-F63 VanDerWaalsContact C-N 3.32Å; S61-F63 PolarHBondContact O-N 2.88Å
64R92Very high88.9Confident210 Ų21087.8 Ų87.879%0.79242%0.421SS*.  trans-78.2-36.6-179.7-66.2177.9178.8-176.3-0.1113.4S61 N62 N66S61-R64 WeakPolarHBondContact O-CB 3.43Å; S61-R64 WeakPolarHBondContact O-CD 3.44Å; S61-R64 VanDerWaalsContact O-CG 3.24Å; S61-R64 WeakPolarHBondContact O-CG 3.3Å; S61-R64 PolarHBondContact O-N 3.48Å; S61-R64 PolarHBondContact OG-N 2.93Å; N62-R64 PolarHBondContact O-N 2.9Å; N62-R64 VanDerWaalsContact O-N 3.16Å; R64-N66 VanDerWaalsContact C-N 3.28Å; R64-N66 PolarHBondContact O-N 3.44Å
65Q90.1Very high87.5Confident112 Ų11291.4 Ų91.452%0.52343%0.433SS..  trans-81.964.2178.5-67.2-172.411.300112.2F58 S61 K67 I68F58-Q65 WeakPolarHBondContact CD2-O 3.12Å; S61-Q65 PolarHBondContact OG-N 3.45Å; Q65-K67 PolarHBondContact O-N 3.01Å; Q65-K67 VanDerWaalsContact O-N 3.08Å; Q65-I68 WeakPolarHBondContact O-CG2 3.43Å
66N90.7Very high86Confident68 Ų6889 Ų8936%0.36443%0.425SS..  trans-74.45.7-171.368.2-3.4000116.4F58 R64 I68F58-N66 HydrophobicContact CE2-CB 4.13Å; R64-N66 VanDerWaalsContact C-N 3.28Å; R64-N66 PolarHBondContact O-N 3.44Å; N66-I68 PolarHBondContact O-N 3.48Å
67K94.6Very high84.8Confident122 Ų12287.9 Ų87.953%0.5342%0.415SS..  trans-79.363.5174.5-81.4-173.9179.2-177.70110.7D43 Y44 R45 Q65D43-K67 HydrophobicContact CB-CB 4.17Å; D43-K67 WeakPolarHBondContact CB-O 3.41Å; D43-K67 WeakPolarHBondContact O-CB 3.32Å; D43-K67 WeakPolarHBondContact O-CD 3.25Å; D43-K67 VanDerWaalsContact O-CG 3.29Å; D43-K67 WeakPolarHBondContact O-CG 3.5Å; Y44-K67 CarbonylContact O-C 3.58Å; Y44-K67 VanDerWaalsContact O-CA 3.31Å; Y44-K67 WeakPolarHBondContact O-CA 3.47Å; R45-K67 HydrophobicContact CG-CG 4.14Å; Q65-K67 PolarHBondContact O-N 3.01Å; Q65-K67 VanDerWaalsContact O-N 3.08Å
68I91.1Very high83.7Confident14 Ų1487.9 Ų87.97%0.07241%0.409CS..  trans-1113-172.964.6176.4000113.9Y44 L50 N51 K54 F58 Q65 N66Y44-I68 PolarHBondContact O-N 3.48Å; Y44-I68 VanDerWaalsContact O-N 3.13Å; L50-I68 HydrophobicContact CD2-CD1 3.73Å; L50-I68 HydrophobicContact CD2-CG1 3.81Å; N51-I68 PolarHBondContact N-O 3.02Å; K54-I68 HydrophobicContact CB-CB 4.42Å; K54-I68 HydrophobicContact CB-CG2 4.08Å; F58-I68 HydrophobicContact CB-CG2 3.6Å; F58-I68 HydrophobicContact CD1-CD1 3.88Å; F58-I68 HydrophobicContact CD1-CG2 4.41Å; F58-I68 HydrophobicContact CD2-CD1 4.44Å; F58-I68 HydrophobicContact CD2-CG2 3.97Å; F58-I68 HydrophobicContact CE1-CD1 3.8Å; F58-I68 HydrophobicContact CE2-CD1 4.39Å; F58-I68 HydrophobicContact CG-CD1 4.17Å; F58-I68 HydrophobicContact CG-CG2 3.76Å; F58-I68 HydrophobicContact CZ-CD1 4.06Å; Q65-I68 WeakPolarHBondContact O-CG2 3.43Å; N66-I68 PolarHBondContact O-N 3.48Å
69W93.5Very high83Confident85 Ų8587.9 Ų87.932%0.32241%0.413SS..EExtended strand (participates in β ladder)trans-104.6142.1-172.6-63.185.1000112.8Y44 R45 G47 L50Y44-W69 PolarHBondContact N-O 3.38Å; Y44-W69 WeakPolarHBondContact O-CB 3.43Å; Y44-W69 PolarHBondContact O-N 3.15Å; R45-W69 PolarHBondContact O-NE1 3.35Å; G47-W69 VanDerWaalsContact N-CB 3.34Å; G47-W69 WeakPolarHBondContact O-CZ3 3.48Å; L50-W69 HydrophobicContact CD2-CD2 3.77Å; L50-W69 HydrophobicContact CD2-CE3 3.9Å; L50-W69 HydrophobicContact CD2-CG 4.39Å; L50-W69 HydrophobicContact CD2-CH2 4.04Å; L50-W69 HydrophobicContact CD2-CZ2 3.9Å; L50-W69 HydrophobicContact CD2-CZ3 4.04Å; L50-W69 HydrophobicContact CG-CE3 4.37Å; L50-W69 HydrophobicContact CG-CH2 4.45Å; L50-W69 HydrophobicContact CG-CZ3 4.25Å
70L87.6Confident82.7Confident26 Ų2684.3 Ų84.314%0.13639%0.391CS..EExtended strand (participates in β ladder)trans-93.5137.7170.1-58.8170.1000110.1L40 G42 G47 K48 R49 N51L40-L70 HydrophobicContact CB-CB 4Å; L40-L70 HydrophobicContact CB-CD1 4.26Å; L40-L70 HydrophobicContact CD2-CB 4.03Å; L40-L70 HydrophobicContact CG-CB 4.47Å; G42-L70 VanDerWaalsContact O-CD2 3.26Å; G42-L70 WeakPolarHBondContact O-CD2 3.3Å; G47-L70 WeakPolarHBondContact CA-O 3.41Å; K48-L70 PolarHBondContact N-O 3.22Å; R49-L70 HydrophobicContact CB-CB 4.5Å; R49-L70 HydrophobicContact CB-CD1 4.47Å; R49-L70 WeakPolarHBondContact O-CB 3.08Å; R49-L70 PolarHBondContact O-N 3.05Å; N51-L70 HydrophobicContact CB-CD1 4.44Å; N51-L70 HydrophobicContact CB-CD2 3.96Å; N51-L70 HydrophobicContact CB-CG 3.97Å
71R85.5Confident82.6Confident106 Ų10681.5 Ų81.540%0.436%0.364SS..EExtended strand (participates in β ladder)trans-118.3154.4168.4-65.9-178.7177-162.7-0.7109.5L40 Q41 Y44 T46 T73L40-R71 CarbonylContact C-O 3.35Å; L40-R71 WeakPolarHBondContact CA-O 3.25Å; Q41-R71 PolarHBondContact N-O 3.47Å; Q41-R71 PolarHBondContact O-N 2.87Å; Q41-R71 VanDerWaalsContact O-N 3.08Å; Y44-R71 HydrophobicContact CD2-CB 3.71Å; Y44-R71 HydrophobicContact CD2-CG 3.56Å; Y44-R71 HydrophobicContact CE2-CB 3.68Å; Y44-R71 HydrophobicContact CE2-CG 4.03Å; Y44-R71 HydrophobicContact CG-CB 4.47Å; Y44-R71 HydrophobicContact CG-CG 3.89Å; T46-R71 PolarHBondContact O-NE 3.28Å; T46-R71 PolarHBondContact OG1-NH2 2.94Å; R71-T73 HydrophobicContact CB-CG2 3.87Å; R71-T73 PolarHBondContact O-N 2.98Å
72R75.8Confident82.6Confident145 Ų14580.4 Ų80.455%0.54736%0.356SS..EExtended strand (participates in β ladder)trans-77.474.9175.6-68.2-176.6-177.5-105.39.5109.2A37 S38 R39 L40A37-R72 WeakPolarHBondContact CB-O 3.44Å; S38-R72 WeakPolarHBondContact O-CD 3.19Å; S38-R72 WeakPolarHBondContact O-CG 3.35Å; S38-R72 PolarHBondContact O-NH1 3.05Å; R39-R72 CarbonylContact O-C 3.56Å; R39-R72 VanDerWaalsContact O-CA 3.31Å; R39-R72 WeakPolarHBondContact O-CA 3.25Å; L40-R72 HydrophobicContact CD2-CG 3.63Å; L40-R72 HydrophobicContact CG-CG 4.05Å
73T67.4Low82.7Confident51 Ų5174.5 Ų74.531%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-112-8-178.856.80000112.8R39 Q41 Y44 R71 R75R39-T73 PolarHBondContact O-N 3.43Å; Q41-T73 WeakPolarHBondContact CG-OG1 3.44Å; Q41-T73 VanDerWaalsContact NE2-C 3.33Å; Q41-T73 PolarHBondContact NE2-O 3.31Å; Q41-T73 PolarHBondContact NE2-OG1 3.41Å; Y44-T73 HydrophobicContact CE2-CG2 4.28Å; Y44-T73 WeakPolarHBondContact OH-CG2 3.42Å; Y44-T73 PolarHBondContact OH-OG1 3.1Å; R71-T73 HydrophobicContact CB-CG2 3.87Å; R71-T73 PolarHBondContact O-N 2.98Å; T73-R75 PolarHBondContact O-N 3.04Å
74K64.7Low82.9Confident96 Ų9668 Ų6842%0.41730%0.296SS..EExtended strand (participates in β ladder)trans-81.9115.5176.5-174.1166.7-178.1168.30109.7A37 S38 R39 Q41 A76A37-K74 CarbonylContact C-O 3.56Å; A37-K74 WeakPolarHBondContact CA-O 3.36Å; S38-K74 PolarHBondContact N-O 3.37Å; R39-K74 HydrophobicContact CB-CB 3.75Å; R39-K74 HydrophobicContact CB-CD 4.28Å; R39-K74 HydrophobicContact CB-CG 4.17Å; R39-K74 PolarHBondContact N-O 3.26Å; R39-K74 WeakPolarHBondContact O-CB 3.49Å; R39-K74 PolarHBondContact O-N 3.43Å; Q41-K74 HydrophobicContact CB-CB 4.21Å; Q41-K74 VanDerWaalsContact CD-CB 3.41Å; Q41-K74 HydrophobicContact CG-CB 3.83Å; K74-A76 PolarHBondContact O-N 2.78Å
75R62.3Low83.2Confident148 Ų14858 Ų5856%0.55826%0.259SS*.EExtended strand (participates in β ladder)trans-57.2117.4170.4-67.6-174.8-178.8163.41.3109.8P34 T35 T36 T73P34-R75 WeakPolarHBondContact O-CB 3.43Å; T35-R75 VanDerWaalsContact O-CD 3.29Å; T35-R75 WeakPolarHBondContact O-CD 3.42Å; T35-R75 WeakPolarHBondContact O-CG 3.31Å; T35-R75 PolarHBondContact O-NE 2.7Å; T36-R75 WeakPolarHBondContact O-CA 3.33Å; T73-R75 PolarHBondContact O-N 3.04Å
76A60.1Low83.6Confident29 Ų2952.8 Ų52.824%0.2423%0.234CC..EExtended strand (participates in β ladder)trans-154.3-9.5-173.100000113.9T36 S38 R39 K74T36-A76 PolarHBondContact O-N 3.01Å; S38-A76 VanDerWaalsContact OG-CB 3.3Å; S38-A76 WeakPolarHBondContact OG-CB 3.22Å; R39-A76 HydrophobicContact CB-CB 3.86Å; R39-A76 HydrophobicContact CG-CB 3.48Å; R39-A76 VanDerWaalsContact CG-CB 3.48Å; K74-A76 PolarHBondContact O-N 2.78Å
77K65.7Low83.9Confident112 Ų11249.5 Ų49.549%0.48722%0.217SC..EExtended strand (participates in β ladder)trans-109.5134.1169.1-169.3179.8178.1-175.90108.6T35 T36 S38T35-K77 PolarHBondContact N-O 3.27Å; T35-K77 VanDerWaalsContact N-O 3.17Å; T36-K77 PolarHBondContact N-O 3.03Å; T36-K77 PolarHBondContact O-N 2.95Å; T36-K77 VanDerWaalsContact O-N 3.14Å; S38-K77 PolarHBondContact OG-N 2.84Å
78R70.9Confident83.9Confident46 Ų4643.7 Ų43.717%0.17419%0.191CC..  trans-77130.7166.5-68.6177.6178.390.210107.7R29 L32 P34 Y80 L115 V117R29-R78 PolarHBondContact O-NH2 2.9Å; L32-R78 WeakPolarHBondContact O-CD 3.43Å; L32-R78 PolarHBondContact O-NE 3.19Å; P34-R78 HydrophobicContact CB-CG 4.43Å; P34-R78 HydrophobicContact CG-CG 4.25Å; R78-Y80 HydrophobicContact CB-CD2 3.86Å; R78-Y80 HydrophobicContact CB-CE2 3.82Å; R78-Y80 HydrophobicContact CG-CE2 4.08Å; R78-L115 PolarHBondContact NH1-O 3.06Å; R78-V117 CarbonylContact C-O 3.53Å; R78-V117 VanDerWaalsContact C-O 3.26Å; R78-V117 WeakPolarHBondContact CB-O 3.5Å
79S81.1Confident84Confident33 Ų3343.1 Ų43.123%0.23119%0.188CC..  trans-126.586.7174.3-170.50000107.5T35 T36 P186 A187T35-S79 PolarHBondContact OG1-N 3.09Å; T35-S79 VanDerWaalsContact OG1-N 3.12Å; T36-S79 WeakPolarHBondContact OG1-CB 3.36Å; S79-P186 CarbonylContact O-C 3.57Å; S79-P186 VanDerWaalsContact O-CA 3.25Å; S79-P186 WeakPolarHBondContact O-CA 3.38Å; S79-P186 WeakPolarHBondContact OG-CB 3.17Å; S79-A187 PolarHBondContact O-N 2.98Å
80Y87.6Confident83.9Confident5 Ų541.6 Ų41.62%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-114.1138.2171.9-60.8-95.1000108.6L32 V33 T35 R78 V117 G118 S119 A187 W284 F285L32-Y80 HydrophobicContact CB-CE2 3.99Å; L32-Y80 HydrophobicContact CD2-CD1 3.9Å; L32-Y80 HydrophobicContact CD2-CE1 3.45Å; L32-Y80 VanDerWaalsContact CD2-CE1 3.45Å; L32-Y80 HydrophobicContact CD2-CE2 4.26Å; L32-Y80 HydrophobicContact CD2-CG 4.49Å; V33-Y80 PolarHBondContact N-OH 3.48Å; V33-Y80 PolarHBondContact O-OH 3.34Å; T35-Y80 HydrophobicContact CG2-CE2 4.4Å; R78-Y80 HydrophobicContact CB-CD2 3.86Å; R78-Y80 HydrophobicContact CB-CE2 3.82Å; R78-Y80 HydrophobicContact CG-CE2 4.08Å; Y80-V117 HydrophobicContact CD2-CB 4.15Å; Y80-V117 WeakPolarHBondContact CD2-O 3.41Å; Y80-V117 PolarHBondContact N-O 2.82Å; Y80-G118 WeakPolarHBondContact O-CA 3.29Å; Y80-S119 PolarHBondContact O-N 2.82Å; Y80-A187 CarbonylContact C-O 3.56Å; Y80-A187 VanDerWaalsContact CA-O 3.25Å; Y80-A187 WeakPolarHBondContact CA-O 3.21Å; Y80-A187 HydrophobicContact CD1-CB 3.6Å; Y80-A187 HydrophobicContact CE1-CB 3.72Å; Y80-A187 HydrophobicContact CG-CB 4.47Å; Y80-W284 HydrophobicContact CE1-CH2 4.4Å; Y80-F285 HydrophobicContact CE1-CZ 4.11Å; Y80-F285 WeakPolarHBondContact OH-CZ 3.34Å
81Q91.6Very high84Confident20 Ų2042.1 Ų42.19%0.09320%0.197CC..EExtended strand (participates in β ladder)trans-109115.7164.8-69.8177.2-2500106.9S119 L135 F171 P186 A187 R188 L189Q81-S119 WeakPolarHBondContact CA-O 3.36Å; Q81-L135 HydrophobicContact CB-CD1 4.29Å; Q81-L135 HydrophobicContact CB-CD2 4.19Å; Q81-L135 HydrophobicContact CG-CD1 4.14Å; Q81-F171 HydrophobicContact CB-CD1 3.66Å; Q81-F171 HydrophobicContact CB-CE1 3.65Å; Q81-F171 HydrophobicContact CG-CD1 4.48Å; Q81-P186 HydrophobicContact CG-CB 3.96Å; Q81-P186 HydrophobicContact CG-CG 4.24Å; Q81-A187 PolarHBondContact N-O 3.29Å; Q81-R188 HydrophobicContact CB-CG 4.44Å; Q81-R188 WeakPolarHBondContact O-CA 3.2Å; Q81-L189 PolarHBondContact O-N 3.48Å
82I93.8Very high84.3Confident1 Ų137 Ų371%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-118.5122.6-173.5-54.3-179.6000108.8I84 L112 V117 S119 V120 A121 L189 V191I82-I84 HydrophobicContact CG2-CG1 4.46Å; I82-L112 HydrophobicContact CB-CD1 4.32Å; I82-L112 HydrophobicContact CD1-CD1 3.63Å; I82-L112 HydrophobicContact CD1-CD2 3.61Å; I82-L112 HydrophobicContact CD1-CG 4.19Å; I82-L112 HydrophobicContact CG2-CD1 3.97Å; I82-V117 HydrophobicContact CD1-CG2 3.95Å; I82-S119 PolarHBondContact N-O 3.42Å; I82-V120 HydrophobicContact CB-CG2 4.49Å; I82-V120 CarbonylContact O-C 3.55Å; I82-V120 VanDerWaalsContact O-CA 3.29Å; I82-V120 WeakPolarHBondContact O-CA 3.12Å; I82-A121 PolarHBondContact O-N 3.02Å; I82-L189 CarbonylContact C-O 3.55Å; I82-L189 WeakPolarHBondContact CA-O 3.45Å; I82-L189 HydrophobicContact CD1-CD2 4.35Å; I82-L189 HydrophobicContact CG1-CB 4.19Å; I82-L189 HydrophobicContact CG1-CD2 4.43Å; I82-L189 HydrophobicContact CG2-CB 4.38Å; I82-L189 HydrophobicContact CG2-CD2 4.21Å; I82-L189 HydrophobicContact CG2-CG 4.2Å; I82-V191 HydrophobicContact CG2-CG2 4.32Å
83I97.2Very high84.8Confident0 Ų034.9 Ų34.90%018%0.175CC..EExtended strand (participates in β ladder)trans-104.6124.2172.4-63.5168.3000107.7A121 V167 F170 F171 L189 L190 V191I83-A121 WeakPolarHBondContact CA-O 3.44Å; I83-A121 HydrophobicContact CG1-CB 4.1Å; I83-V167 HydrophobicContact CD1-CG1 3.97Å; I83-F170 HydrophobicContact CD1-CB 3.72Å; I83-F171 HydrophobicContact CD1-CD1 4.05Å; I83-F171 HydrophobicContact CD1-CD2 3.9Å; I83-F171 HydrophobicContact CD1-CE1 3.68Å; I83-F171 HydrophobicContact CD1-CE2 3.54Å; I83-F171 HydrophobicContact CD1-CG 4.16Å; I83-F171 HydrophobicContact CD1-CZ 3.41Å; I83-F171 VanDerWaalsContact CD1-CZ 3.41Å; I83-F171 HydrophobicContact CG1-CE1 3.96Å; I83-F171 HydrophobicContact CG1-CZ 3.97Å; I83-L189 PolarHBondContact N-O 2.92Å; I83-L190 HydrophobicContact CB-CD1 4.05Å; I83-L190 HydrophobicContact CG2-CD1 3.82Å; I83-L190 CarbonylContact O-C 3.44Å; I83-L190 WeakPolarHBondContact O-CA 3.28Å; I83-V191 PolarHBondContact O-N 3.49Å
84I97.8Very high85.7Confident0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-99.7115.7170-53.8174.7000107.2I82 I86 L105 I108 V120 A121 V122 C123 V191 V193I82-I84 HydrophobicContact CG2-CG1 4.46Å; I84-I86 HydrophobicContact CG2-CD1 3.68Å; I84-I86 HydrophobicContact CG2-CG1 4.4Å; I84-L105 HydrophobicContact CB-CD1 4.35Å; I84-L105 HydrophobicContact CD1-CD1 3.96Å; I84-L105 HydrophobicContact CG2-CD1 4.01Å; I84-I108 HydrophobicContact CD1-CB 4.24Å; I84-I108 HydrophobicContact CD1-CG2 3.7Å; I84-I108 HydrophobicContact CG1-CG2 4.48Å; I84-V120 HydrophobicContact CD1-CG1 4.02Å; I84-V120 HydrophobicContact CG1-CG1 4.33Å; I84-A121 PolarHBondContact N-O 3.26Å; I84-V122 HydrophobicContact CB-CG2 4.48Å; I84-V122 WeakPolarHBondContact O-CA 3.44Å; I84-C123 PolarHBondContact O-N 3.23Å; I84-V191 CarbonylContact C-O 3.52Å; I84-V191 WeakPolarHBondContact CA-O 3.13Å; I84-V193 HydrophobicContact CG2-CG2 4.33Å
85A98.3Very high86.6Confident0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-102.6117.4177.400000109.5C123 F125 L163 L190 V191 V193A85-C123 WeakPolarHBondContact CA-O 3.27Å; A85-C123 VanDerWaalsContact CB-SG 3.58Å; A85-F125 HydrophobicContact CB-CD1 3.91Å; A85-F125 HydrophobicContact CB-CE1 4.05Å; A85-L163 HydrophobicContact CB-CD1 3.75Å; A85-L163 HydrophobicContact CB-CD2 3.77Å; A85-L163 HydrophobicContact CB-CG 4.4Å; A85-L190 HydrophobicContact CB-CD1 3.97Å; A85-V191 PolarHBondContact N-O 3.25Å; A85-V193 PolarHBondContact O-N 3.49Å
86I97.9Very high88Confident1 Ų136.7 Ų36.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-103.3127.8179.5-52.8-58.9000109.6I84 S88 A101 L105 V122 C123 K124 F125 L151 F153 V193I84-I86 HydrophobicContact CG2-CD1 3.68Å; I84-I86 HydrophobicContact CG2-CG1 4.4Å; I86-S88 PolarHBondContact O-N 3.36Å; I86-A101 HydrophobicContact CG2-CB 4.29Å; I86-L105 HydrophobicContact CD1-CB 4.3Å; I86-V122 HydrophobicContact CG1-CG1 4.42Å; I86-C123 PolarHBondContact N-O 3.02Å; I86-K124 CarbonylContact O-C 3.39Å; I86-K124 VanDerWaalsContact O-CA 3.24Å; I86-K124 WeakPolarHBondContact O-CA 3.21Å; I86-F125 VanDerWaalsContact C-CE1 3.44Å; I86-F125 WeakPolarHBondContact O-CD1 3.43Å; I86-F125 PolarHBondContact O-N 3.46Å; I86-L151 HydrophobicContact CB-CD1 4.47Å; I86-L151 HydrophobicContact CB-CD2 3.85Å; I86-L151 HydrophobicContact CG1-CD1 4.5Å; I86-L151 HydrophobicContact CG2-CD1 4.12Å; I86-L151 HydrophobicContact CG2-CD2 3.74Å; I86-F153 HydrophobicContact CG2-CE1 4.33Å; I86-F153 HydrophobicContact CG2-CZ 4.42Å; I86-V193 HydrophobicContact CD1-CB 3.72Å; I86-V193 HydrophobicContact CD1-CG1 4.28Å; I86-V193 HydrophobicContact CD1-CG2 3.84Å
87D96.7Very high89.5Confident0 Ų035.3 Ų35.30%018%0.175CC..EExtended strand (participates in β ladder)trans-70.8116.4175.6-168.6-25.6000110.6S89 M92 F125 F153 T158 V193 S194D87-S89 WeakPolarHBondContact OD1-CB 3.31Å; D87-S89 PolarHBondContact OD1-N 3.04Å; D87-S89 PolarHBondContact OD1-OG 3.39Å; D87-M92 HydrophobicContact CB-CG 3.87Å; D87-F125 CarbonylContact C-O 3.55Å; D87-F125 WeakPolarHBondContact CA-O 3.41Å; D87-F125 HydrophobicContact CB-CE1 3.81Å; D87-F125 HydrophobicContact CB-CE2 4.11Å; D87-F125 HydrophobicContact CB-CZ 3.55Å; D87-F125 VanDerWaalsContact N-CE1 3.25Å; D87-F153 WeakPolarHBondContact O-CD1 3.41Å; D87-F153 VanDerWaalsContact O-CE1 3.24Å; D87-F153 WeakPolarHBondContact O-CE1 3.34Å; D87-T158 WeakPolarHBondContact OD2-CG2 3.4Å; D87-V193 WeakPolarHBondContact CB-O 3.35Å; D87-V193 PolarHBondContact N-O 3.45Å; D87-S194 WeakPolarHBondContact OD2-CB 3.29Å; D87-S194 PolarHBondContact OD2-OG 3.09Å
88S95.2Very high90.7Very high0 Ų033 Ų330%017%0.165CC..  trans-103.919.7178.244.20000112.9I86 F125 F153 S154 E155I86-S88 PolarHBondContact O-N 3.36Å; S88-F125 PolarHBondContact N-O 3.28Å; S88-F125 PolarHBondContact OG-O 2.79Å; S88-F125 VanDerWaalsContact OG-O 3.13Å; S88-F153 CarbonylContact O-C 3.51Å; S88-F153 WeakPolarHBondContact O-CA 3.27Å; S88-S154 PolarHBondContact O-N 2.97Å; S88-E155 WeakPolarHBondContact CB-OE1 3.35Å; S88-E155 PolarHBondContact O-N 2.91Å; S88-E155 PolarHBondContact OG-OE1 3.01Å
89S94Very high91.8Very high1 Ų135 Ų351%0.00718%0.177CC..BIsolated β-bridgetrans-76.5162.6173.371.10000113.3D87 S91 M92 F153 E155 R157 T158D87-S89 WeakPolarHBondContact OD1-CB 3.31Å; D87-S89 PolarHBondContact OD1-N 3.04Å; D87-S89 PolarHBondContact OD1-OG 3.39Å; S89-S91 PolarHBondContact O-N 3.28Å; S89-S91 PolarHBondContact OG-OG 2.79Å; S89-M92 WeakPolarHBondContact O-CB 3.49Å; S89-M92 PolarHBondContact O-N 3.25Å; S89-F153 CarbonylContact C-O 3.05Å; S89-E155 CarbonylContact C-O 3.6Å; S89-E155 VanDerWaalsContact CA-O 3.24Å; S89-E155 WeakPolarHBondContact CA-O 3.26Å; S89-R157 WeakPolarHBondContact CB-O 3.44Å; S89-T158 WeakPolarHBondContact CB-OG1 3.3Å; S89-T158 PolarHBondContact OG-OG1 3.42Å; S89-T158 VanDerWaalsContact OG-OG1 3.05Å
90S91.6Very high92.5Very high53 Ų5334.1 Ų34.137%0.37117%0.169SC..G310 helixtrans-66.1-17.5179.960.30000113.1M92 M93 E155S90-M92 PolarHBondContact O-N 2.97Å; S90-M93 VanDerWaalsContact O-CB 3.26Å; S90-M93 WeakPolarHBondContact O-CB 3.42Å; S90-M93 WeakPolarHBondContact O-CG 3.28Å; S90-M93 PolarHBondContact O-N 2.64Å; S90-M93 VanDerWaalsContact O-N 3.14Å; S90-E155 WeakPolarHBondContact CB-O 3.22Å; S90-E155 PolarHBondContact N-O 3.1Å; S90-E155 PolarHBondContact OG-O 2.63Å
91S88.3Confident92.9Very high37 Ų3733.9 Ų33.926%0.25917%0.168SC..G310 helixtrans-65.4-23.5172.272.80000112S89 D195 K233S89-S91 PolarHBondContact O-N 3.28Å; S89-S91 PolarHBondContact OG-OG 2.79Å; S91-D195 WeakPolarHBondContact CB-OD2 3.42Å; S91-D195 PolarHBondContact OG-OD1 2.93Å; S91-D195 PolarHBondContact OG-OD2 2.85Å; S91-D195 VanDerWaalsContact OG-OD2 3.12Å; S91-K233 PolarHBondContact O-NZ 2.67Å
92M91.3Very high93.1Very high0 Ų033.1 Ų33.10%017%0.165CC..G310 helixtrans-89.4-0.3177-64.1-65.2-72.300113.5D87 S89 S90 D94 A97 A101 F153 D195 I226D87-M92 HydrophobicContact CB-CG 3.87Å; S89-M92 WeakPolarHBondContact O-CB 3.49Å; S89-M92 PolarHBondContact O-N 3.25Å; S90-M92 PolarHBondContact O-N 2.97Å; M92-D94 PolarHBondContact O-N 2.93Å; M92-D94 VanDerWaalsContact O-N 3.16Å; M92-A97 HydrophobicContact CE-CB 4.4Å; M92-A97 HydrophobicContact SD-CB 4.44Å; M92-A101 HydrophobicContact CE-CB 3.95Å; M92-F153 HydrophobicContact CB-CD1 3.64Å; M92-F153 HydrophobicContact CB-CE1 4.13Å; M92-D195 HydrophobicContact SD-CB 3.64Å; M92-D195 PolarHBondContact SD-N 3.24Å; M92-I226 HydrophobicContact CE-CD1 3.94Å
93M86.5Confident93.2Very high100 Ų10033.4 Ų33.449%0.49317%0.166SC..  trans-67.7-11.4-178.5-77.7-73.2-71.600114.6S90 N95 F153S90-M93 VanDerWaalsContact O-CB 3.26Å; S90-M93 WeakPolarHBondContact O-CB 3.42Å; S90-M93 WeakPolarHBondContact O-CG 3.28Å; S90-M93 PolarHBondContact O-N 2.64Å; S90-M93 VanDerWaalsContact O-N 3.14Å; M93-N95 PolarHBondContact O-N 3Å; M93-F153 HydrophobicContact CG-CB 4.17Å; M93-F153 WeakPolarHBondContact CG-O 3.21Å; M93-F153 HydrophobicContact SD-CB 3.51Å; M93-F153 VanDerWaalsContact SD-CB 3.51Å
94D86.1Confident93.2Very high43 Ų4333.4 Ų33.423%0.2317%0.166CC..SBendtrans-57128.7169.5-177.7-88.9000110M92 R96 A97 K98 S230M92-D94 PolarHBondContact O-N 2.93Å; M92-D94 VanDerWaalsContact O-N 3.16Å; D94-R96 PolarHBondContact O-N 3.38Å; D94-R96 VanDerWaalsContact O-N 3.11Å; D94-R96 WeakPolarHBondContact OD1-CA 3.3Å; D94-R96 VanDerWaalsContact OD1-CB 3.3Å; D94-R96 WeakPolarHBondContact OD1-CB 3.44Å; D94-R96 PolarHBondContact OD1-N 2.64Å; D94-A97 HydrophobicContact CB-CB 4.06Å; D94-A97 PolarHBondContact O-N 3.43Å; D94-A97 PolarHBondContact OD1-N 3.25Å; D94-K98 PolarHBondContact O-N 2.8Å; D94-S230 WeakPolarHBondContact OD2-CB 3.3Å; D94-S230 PolarHBondContact OD2-OG 2.79Å
95N84.5Confident93.2Very high136 Ų13633.4 Ų33.473%0.72717%0.166SC*.Hα-helixtrans-55.1-36-175.1-74.8-27.5000112.5M93 Q99M93-N95 PolarHBondContact O-N 3Å; N95-Q99 WeakPolarHBondContact O-CB 3.39Å; N95-Q99 PolarHBondContact O-N 3.46Å
96R91Very high93.1Very high154 Ų15433.4 Ų33.458%0.58117%0.166SC*.Hα-helixtrans-74.9-41.5178.7-63-178.7174.2172.4-1.1111.6D94 Q99 I100 Q228D94-R96 PolarHBondContact O-N 3.38Å; D94-R96 VanDerWaalsContact O-N 3.11Å; D94-R96 WeakPolarHBondContact OD1-CA 3.3Å; D94-R96 VanDerWaalsContact OD1-CB 3.3Å; D94-R96 WeakPolarHBondContact OD1-CB 3.44Å; D94-R96 PolarHBondContact OD1-N 2.64Å; R96-Q99 PolarHBondContact O-N 3.39Å; R96-I100 WeakPolarHBondContact O-CG1 3.35Å; R96-I100 PolarHBondContact O-N 2.95Å; R96-Q228 HydrophobicContact CB-CG 4.09Å
97A91.7Very high93Very high0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-62.2-47177.900000111.4M92 D94 Q99 I100 A101 I226 Q228M92-A97 HydrophobicContact CE-CB 4.4Å; M92-A97 HydrophobicContact SD-CB 4.44Å; D94-A97 HydrophobicContact CB-CB 4.06Å; D94-A97 PolarHBondContact O-N 3.43Å; D94-A97 PolarHBondContact OD1-N 3.25Å; A97-Q99 PolarHBondContact O-N 3.14Å; A97-I100 PolarHBondContact O-N 3.16Å; A97-A101 WeakPolarHBondContact O-CB 3.48Å; A97-A101 PolarHBondContact O-N 3.09Å; A97-I226 HydrophobicContact CB-CG2 4.14Å; A97-Q228 HydrophobicContact CB-CG 4.45Å
98K92.1Very high93Very high62 Ų6233.7 Ų33.727%0.2717%0.167SC..Hα-helixtrans-56.8-47.5172.9173.2170.6179.8177.50112D94 A101 I102 F153D94-K98 PolarHBondContact O-N 2.8Å; K98-A101 PolarHBondContact O-N 2.94Å; K98-I102 HydrophobicContact CG-CD1 4.1Å; K98-I102 WeakPolarHBondContact O-CG1 3.29Å; K98-I102 PolarHBondContact O-N 3.31Å; K98-I102 VanDerWaalsContact O-N 3.14Å; K98-F153 HydrophobicContact CB-CE2 4.46Å; K98-F153 HydrophobicContact CB-CZ 4.46Å; K98-F153 HydrophobicContact CD-CD2 3.63Å; K98-F153 HydrophobicContact CD-CE2 3.76Å; K98-F153 HydrophobicContact CD-CG 4.34Å; K98-F153 HydrophobicContact CG-CD2 3.9Å; K98-F153 HydrophobicContact CG-CE2 3.56Å; K98-F153 HydrophobicContact CG-CZ 3.9Å
99Q93.8Very high93Very high90 Ų9033.7 Ų33.742%0.42117%0.167SC..Hα-helixtrans-59.7-50.4179.5-177.5177.2-16.300111.2F13 N95 R96 A97 A101 I102 E103F13-Q99 HydrophobicContact CE1-CG 3.83Å; F13-Q99 HydrophobicContact CZ-CG 4.21Å; N95-Q99 WeakPolarHBondContact O-CB 3.39Å; N95-Q99 PolarHBondContact O-N 3.46Å; R96-Q99 PolarHBondContact O-N 3.39Å; A97-Q99 PolarHBondContact O-N 3.14Å; Q99-A101 VanDerWaalsContact C-N 3.29Å; Q99-A101 PolarHBondContact O-N 2.94Å; Q99-I102 PolarHBondContact O-N 2.91Å; Q99-E103 HydrophobicContact CG-CG 4.3Å; Q99-E103 VanDerWaalsContact CG-OE1 3.28Å; Q99-E103 WeakPolarHBondContact CG-OE1 2.97Å; Q99-E103 PolarHBondContact NE2-OE1 2.97Å; Q99-E103 WeakPolarHBondContact O-CB 3.49Å; Q99-E103 VanDerWaalsContact O-CG 3.29Å; Q99-E103 WeakPolarHBondContact O-CG 3.5Å; Q99-E103 PolarHBondContact O-N 3.46Å
100I95.5Very high93Very high13 Ų1333.8 Ų33.87%0.06717%0.168CC..Hα-helixtrans-64.2-34.5180-68.5170.2000111.5R96 A97 S104 I226 Q228 L267R96-I100 WeakPolarHBondContact O-CG1 3.35Å; R96-I100 PolarHBondContact O-N 2.95Å; A97-I100 PolarHBondContact O-N 3.16Å; I100-S104 WeakPolarHBondContact O-CB 3.34Å; I100-S104 PolarHBondContact O-N 3.32Å; I100-S104 PolarHBondContact O-OG 2.9Å; I100-I226 HydrophobicContact CB-CD1 4.28Å; I100-I226 HydrophobicContact CB-CG2 4.14Å; I100-I226 HydrophobicContact CD1-CG2 4.41Å; I100-I226 HydrophobicContact CG2-CD1 3.85Å; I100-I226 HydrophobicContact CG2-CG1 3.95Å; I100-I226 HydrophobicContact CG2-CG2 4.04Å; I100-Q228 HydrophobicContact CD1-CG 3.95Å; I100-L267 HydrophobicContact CG2-CD2 3.62Å; I100-L267 HydrophobicContact CG2-CG 4.48Å
101A95.9Very high93.1Very high0 Ų031.3 Ų31.30%015%0.15CC..Hα-helixtrans-62.5-46.4176.100000111.6I86 M92 A97 K98 Q99 S104 L105 V193 I226I86-A101 HydrophobicContact CG2-CB 4.29Å; M92-A101 HydrophobicContact CE-CB 3.95Å; A97-A101 WeakPolarHBondContact O-CB 3.48Å; A97-A101 PolarHBondContact O-N 3.09Å; K98-A101 PolarHBondContact O-N 2.94Å; Q99-A101 VanDerWaalsContact C-N 3.29Å; Q99-A101 PolarHBondContact O-N 2.94Å; A101-S104 PolarHBondContact O-N 3.01Å; A101-L105 PolarHBondContact O-N 3.37Å; A101-V193 HydrophobicContact CB-CG1 4.17Å; A101-I226 HydrophobicContact CB-CD1 3.71Å
102I95.4Very high93.3Very high5 Ų529.9 Ų29.93%0.02614%0.14CC..Hα-helixtrans-71.3-39.6178.8-58.3169000111F13 K98 Q99 S104 L105 A106 V148 F153F13-I102 HydrophobicContact CD2-CB 4.19Å; F13-I102 HydrophobicContact CD2-CG2 3.31Å; F13-I102 HydrophobicContact CE2-CB 4.02Å; F13-I102 HydrophobicContact CE2-CD1 4.23Å; F13-I102 HydrophobicContact CE2-CG2 3.54Å; F13-I102 HydrophobicContact CG-CG2 3.99Å; F13-I102 HydrophobicContact CZ-CB 4.46Å; F13-I102 HydrophobicContact CZ-CG2 4.4Å; K98-I102 HydrophobicContact CG-CD1 4.1Å; K98-I102 WeakPolarHBondContact O-CG1 3.29Å; K98-I102 PolarHBondContact O-N 3.31Å; K98-I102 VanDerWaalsContact O-N 3.14Å; Q99-I102 PolarHBondContact O-N 2.91Å; I102-S104 VanDerWaalsContact C-N 3.34Å; I102-S104 PolarHBondContact O-N 3.16Å; I102-L105 WeakPolarHBondContact O-CB 3.42Å; I102-L105 PolarHBondContact O-N 3.46Å; I102-A106 PolarHBondContact O-N 2.99Å; I102-V148 HydrophobicContact CG2-CG2 3.99Å; I102-F153 HydrophobicContact CD1-CE2 4.38Å; I102-F153 HydrophobicContact CG1-CZ 4.47Å
103E96.7Very high93.3Very high7 Ų734.8 Ų34.83%0.03316%0.158CC..Hα-helixtrans-60.9-43.1173-74173.9178.400111.6F13 F16 T17 Q99 L105 A106 L107 I270F13-E103 HydrophobicContact CD1-CG 3.47Å; F13-E103 VanDerWaalsContact CD1-CG 3.47Å; F13-E103 HydrophobicContact CE1-CG 3.76Å; F13-E103 HydrophobicContact CG-CG 4.45Å; F16-E103 HydrophobicContact CD1-CG 4.16Å; F16-E103 HydrophobicContact CE1-CG 4.37Å; F16-E103 WeakPolarHBondContact CE1-OE1 3.48Å; T17-E103 HydrophobicContact CG2-CB 4.03Å; T17-E103 HydrophobicContact CG2-CG 4.33Å; Q99-E103 HydrophobicContact CG-CG 4.3Å; Q99-E103 VanDerWaalsContact CG-OE1 3.28Å; Q99-E103 WeakPolarHBondContact CG-OE1 2.97Å; Q99-E103 PolarHBondContact NE2-OE1 2.97Å; Q99-E103 WeakPolarHBondContact O-CB 3.49Å; Q99-E103 VanDerWaalsContact O-CG 3.29Å; Q99-E103 WeakPolarHBondContact O-CG 3.5Å; Q99-E103 PolarHBondContact O-N 3.46Å; E103-L105 VanDerWaalsContact C-N 3.34Å; E103-L105 PolarHBondContact O-N 3.33Å; E103-A106 PolarHBondContact O-N 3.14Å; E103-L107 VanDerWaalsContact O-CB 3.23Å; E103-L107 WeakPolarHBondContact O-CB 3.21Å; E103-L107 PolarHBondContact O-N 3.02Å; E103-I270 HydrophobicContact CB-CD1 3.82Å; E103-I270 HydrophobicContact CB-CG1 3.91Å; E103-I270 WeakPolarHBondContact OE2-CB 3.4Å; E103-I270 WeakPolarHBondContact OE2-CG2 3.36Å
104S97.2Very high93.5Very high0 Ų035 Ų350%015%0.154CC..Hα-helixtrans-63.1-42.4176.8-60.70000111I100 A101 I102 L107 I108I100-S104 WeakPolarHBondContact O-CB 3.34Å; I100-S104 PolarHBondContact O-N 3.32Å; I100-S104 PolarHBondContact O-OG 2.9Å; A101-S104 PolarHBondContact O-N 3.01Å; I102-S104 VanDerWaalsContact C-N 3.34Å; I102-S104 PolarHBondContact O-N 3.16Å; S104-L107 PolarHBondContact O-N 3.17Å; S104-I108 VanDerWaalsContact O-CB 3.28Å; S104-I108 WeakPolarHBondContact O-CB 3.43Å; S104-I108 WeakPolarHBondContact O-CG1 3.37Å; S104-I108 PolarHBondContact O-N 2.83Å
105L96.7Very high93.7Very high0 Ų033.2 Ų33.20%014%0.144CC..Hα-helixtrans-58.2-51.1173.4174.165.1000111.3W10 I84 I86 A101 I102 E103 L107 S109 V122 V147W10-L105 HydrophobicContact CH2-CD2 4.38Å; W10-L105 HydrophobicContact CH2-CG 4.14Å; W10-L105 HydrophobicContact CZ3-CD2 3.88Å; W10-L105 HydrophobicContact CZ3-CG 4Å; I84-L105 HydrophobicContact CB-CD1 4.35Å; I84-L105 HydrophobicContact CD1-CD1 3.96Å; I84-L105 HydrophobicContact CG2-CD1 4.01Å; I86-L105 HydrophobicContact CD1-CB 4.3Å; A101-L105 PolarHBondContact O-N 3.37Å; I102-L105 WeakPolarHBondContact O-CB 3.42Å; I102-L105 PolarHBondContact O-N 3.46Å; E103-L105 VanDerWaalsContact C-N 3.34Å; E103-L105 PolarHBondContact O-N 3.33Å; L105-L107 PolarHBondContact O-N 3.5Å; L105-S109 WeakPolarHBondContact O-CB 3.39Å; L105-S109 PolarHBondContact O-N 3.46Å; L105-S109 PolarHBondContact O-OG 3.21Å; L105-V122 HydrophobicContact CD1-CG1 3.98Å; L105-V122 HydrophobicContact CD1-CG2 3.77Å; L105-V122 HydrophobicContact CD2-CG1 4.44Å; L105-V147 HydrophobicContact CD2-CB 4.46Å; L105-V147 HydrophobicContact CD2-CG1 3.5Å; L105-V147 VanDerWaalsContact CD2-CG1 3.5Å
106A96.3Very high93.9Very high0 Ų034.5 Ų34.50%015%0.146CC..Hα-helixtrans-62.1-41.5-18000000112.6W10 F13 V14 I102 E103 S109 N110W10-A106 VanDerWaalsContact CH2-CA 3.49Å; W10-A106 HydrophobicContact CH2-CB 3.77Å; W10-A106 HydrophobicContact CZ2-CB 4.34Å; W10-A106 HydrophobicContact CZ3-CB 3.9Å; F13-A106 HydrophobicContact CB-CB 4.1Å; V14-A106 HydrophobicContact CG2-CB 4.36Å; I102-A106 PolarHBondContact O-N 2.99Å; E103-A106 PolarHBondContact O-N 3.14Å; A106-S109 PolarHBondContact O-OG 2.74Å; A106-N110 WeakPolarHBondContact O-CB 3.45Å; A106-N110 VanDerWaalsContact O-CG 3.31Å; A106-N110 PolarHBondContact O-N 2.93Å; A106-N110 PolarHBondContact O-ND2 3.25Å
107L97.2Very high93.6Very high0 Ų027.2 Ų27.20%012%0.118CC..Hα-helixtrans-65.9-53.2178.7-170.5168000110.7T17 L20 L24 E103 S104 L105 A111 I270 L273 P274T17-L107 HydrophobicContact CG2-CB 4.16Å; L20-L107 HydrophobicContact CB-CD1 3.44Å; L20-L107 VanDerWaalsContact CB-CD1 3.44Å; L20-L107 HydrophobicContact CB-CG 3.93Å; L20-L107 HydrophobicContact CD1-CD1 3.86Å; L20-L107 HydrophobicContact CG-CD1 4.3Å; L24-L107 HydrophobicContact CB-CD2 3.91Å; L24-L107 HydrophobicContact CD2-CD2 3.37Å; L24-L107 HydrophobicContact CG-CD2 4.26Å; E103-L107 VanDerWaalsContact O-CB 3.23Å; E103-L107 WeakPolarHBondContact O-CB 3.21Å; E103-L107 PolarHBondContact O-N 3.02Å; S104-L107 PolarHBondContact O-N 3.17Å; L105-L107 PolarHBondContact O-N 3.5Å; L107-A111 VanDerWaalsContact O-CB 3.31Å; L107-A111 WeakPolarHBondContact O-CB 3.35Å; L107-A111 PolarHBondContact O-N 3.05Å; L107-I270 HydrophobicContact CD1-CD1 3.9Å; L107-I270 HydrophobicContact CD1-CG1 4Å; L107-L273 HydrophobicContact CB-CD2 4.37Å; L107-L273 HydrophobicContact CD1-CB 4.22Å; L107-L273 HydrophobicContact CD1-CD2 3.82Å; L107-L273 HydrophobicContact CD2-CD2 4.03Å; L107-L273 HydrophobicContact CG-CD2 4.29Å; L107-P274 HydrophobicContact CD1-CG 4.36Å
108I95.7Very high93.3Very high6 Ų628 Ų283%0.03113%0.127CC..Hα-helixtrans-65.1-50.2-176.9-65.9168.5000110.1L24 I84 S104 N110 A111 L112 V191 I224 L273L24-I108 HydrophobicContact CD2-CG1 4.23Å; I84-I108 HydrophobicContact CD1-CB 4.24Å; I84-I108 HydrophobicContact CD1-CG2 3.7Å; I84-I108 HydrophobicContact CG1-CG2 4.48Å; S104-I108 VanDerWaalsContact O-CB 3.28Å; S104-I108 WeakPolarHBondContact O-CB 3.43Å; S104-I108 WeakPolarHBondContact O-CG1 3.37Å; S104-I108 PolarHBondContact O-N 2.83Å; I108-N110 VanDerWaalsContact C-N 3.32Å; I108-N110 PolarHBondContact O-N 3.35Å; I108-A111 PolarHBondContact O-N 2.87Å; I108-L112 HydrophobicContact CG2-CD1 3.61Å; I108-L112 HydrophobicContact CG2-CG 4.12Å; I108-L112 WeakPolarHBondContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.38Å; I108-L112 PolarHBondContact O-N 3.31Å; I108-V191 HydrophobicContact CD1-CG1 4.34Å; I108-I224 HydrophobicContact CD1-CD1 3.85Å; I108-L273 HydrophobicContact CD1-CD2 4.12Å; I108-L273 HydrophobicContact CG1-CD2 3.97Å
109S94.5Very high93.2Very high0 Ų026.2 Ų26.20%012%0.122CC..Hα-helixtrans-60.7-41.5-177.770.40000111.9L105 A106 R113L105-S109 WeakPolarHBondContact O-CB 3.39Å; L105-S109 PolarHBondContact O-N 3.46Å; L105-S109 PolarHBondContact O-OG 3.21Å; A106-S109 PolarHBondContact O-OG 2.74Å; S109-R113 VanDerWaalsContact O-CB 3.26Å; S109-R113 WeakPolarHBondContact O-CB 3.09Å; S109-R113 PolarHBondContact O-N 2.96Å
110N94.6Very high93.2Very high4 Ų422.3 Ų22.32%0.02110%0.104CC..Hα-helixtrans-69.1-40.1176.8-78.8-45.6000113.1A106 I108 R113 R114A106-N110 WeakPolarHBondContact O-CB 3.45Å; A106-N110 VanDerWaalsContact O-CG 3.31Å; A106-N110 PolarHBondContact O-N 2.93Å; A106-N110 PolarHBondContact O-ND2 3.25Å; I108-N110 VanDerWaalsContact C-N 3.32Å; I108-N110 PolarHBondContact O-N 3.35Å; N110-R113 PolarHBondContact O-N 3.13Å; N110-R113 PolarHBondContact OD1-NE 2.84Å; N110-R113 PolarHBondContact OD1-NH2 2.93Å; N110-R114 WeakPolarHBondContact O-CB 3.39Å; N110-R114 VanDerWaalsContact O-CG 3.27Å; N110-R114 WeakPolarHBondContact O-CG 3.34Å; N110-R114 PolarHBondContact O-N 3.4Å
111A94.5Very high93.2Very high0 Ų021.7 Ų21.70%010%0.101CC..Hα-helixtrans-62.3-45.7176.500000111.3S21 L24 C25 L107 I108 R114 L115S21-A111 WeakPolarHBondContact O-CB 3.33Å; L24-A111 HydrophobicContact CB-CB 3.83Å; L24-A111 HydrophobicContact CD2-CB 3.68Å; L24-A111 HydrophobicContact CG-CB 3.75Å; C25-A111 HydrophobicContact CB-CB 4.45Å; L107-A111 VanDerWaalsContact O-CB 3.31Å; L107-A111 WeakPolarHBondContact O-CB 3.35Å; L107-A111 PolarHBondContact O-N 3.05Å; I108-A111 PolarHBondContact O-N 2.87Å; A111-R114 PolarHBondContact O-N 3.33Å; A111-L115 WeakPolarHBondContact O-CB 3.4Å; A111-L115 PolarHBondContact O-N 3.41Å
112L92.5Very high93.3Very high8 Ų821.7 Ų21.74%0.04210%0.101CC..Hα-helixtrans-64.4-42.6178.1-66.5176.5000111.9L28 L32 I82 I108 L115 E116 V117 V120L28-L112 HydrophobicContact CD1-CD2 3.92Å; L32-L112 HydrophobicContact CD1-CD2 4.26Å; I82-L112 HydrophobicContact CB-CD1 4.32Å; I82-L112 HydrophobicContact CD1-CD1 3.63Å; I82-L112 HydrophobicContact CD1-CD2 3.61Å; I82-L112 HydrophobicContact CD1-CG 4.19Å; I82-L112 HydrophobicContact CG2-CD1 3.97Å; I108-L112 HydrophobicContact CG2-CD1 3.61Å; I108-L112 HydrophobicContact CG2-CG 4.12Å; I108-L112 WeakPolarHBondContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.38Å; I108-L112 PolarHBondContact O-N 3.31Å; L112-L115 PolarHBondContact O-N 3.34Å; L112-E116 PolarHBondContact O-N 3.14Å; L112-E116 VanDerWaalsContact O-N 3.14Å; L112-V117 HydrophobicContact CB-CG2 3.8Å; L112-V117 HydrophobicContact CD2-CG1 4.01Å; L112-V117 HydrophobicContact CD2-CG2 4.06Å; L112-V117 HydrophobicContact CG-CG2 4.4Å; L112-V117 PolarHBondContact O-N 3.02Å; L112-V120 HydrophobicContact CB-CG2 4.06Å; L112-V120 HydrophobicContact CD1-CG2 3.94Å
113R90.6Very high93.4Very high102 Ų10221.4 Ų21.439%0.38510%0.1SC..Hα-helixtrans-60.2-48.1174.1-178.3179.359.878.9-1.5111.6S109 N110 L115 E116 F139S109-R113 VanDerWaalsContact O-CB 3.26Å; S109-R113 WeakPolarHBondContact O-CB 3.09Å; S109-R113 PolarHBondContact O-N 2.96Å; N110-R113 PolarHBondContact O-N 3.13Å; N110-R113 PolarHBondContact OD1-NE 2.84Å; N110-R113 PolarHBondContact OD1-NH2 2.93Å; R113-L115 PolarHBondContact O-N 3.15Å; R113-E116 PolarHBondContact O-N 2.99Å; R113-E116 VanDerWaalsContact O-N 3.16Å; R113-F139 WeakPolarHBondContact CD-O 3.45Å
114R91.6Very high93.4Very high106 Ų10622 Ų2240%0.410%0.102SC..Hα-helixtrans-61.5-30.7177.1-75.2177.4-175.3-95.35.5112.5E18 C25 N110 A111E18-R114 IonicContact OE1-NH2 2.7Å; E18-R114 PolarHBondContact OE1-NH2 2.99Å; C25-R114 HydrophobicContact CB-CB 4.37Å; N110-R114 WeakPolarHBondContact O-CB 3.39Å; N110-R114 VanDerWaalsContact O-CG 3.27Å; N110-R114 WeakPolarHBondContact O-CG 3.34Å; N110-R114 PolarHBondContact O-N 3.4Å; A111-R114 PolarHBondContact O-N 3.33Å
115L90.4Very high93.4Very high5 Ų522 Ų223%0.02610%0.102CC..Hα-helixtrans-84.6-9.4180-175.958.1000113.7L28 R29 L32 R78 A111 L112 R113 V117L28-L115 HydrophobicContact CB-CD2 3.44Å; L28-L115 VanDerWaalsContact CB-CD2 3.44Å; R29-L115 HydrophobicContact CB-CD1 3.93Å; R29-L115 HydrophobicContact CG-CD1 4.11Å; L32-L115 HydrophobicContact CB-CD2 4.26Å; L32-L115 HydrophobicContact CD1-CD2 3.94Å; R78-L115 PolarHBondContact NH1-O 3.06Å; A111-L115 WeakPolarHBondContact O-CB 3.4Å; A111-L115 PolarHBondContact O-N 3.41Å; L112-L115 PolarHBondContact O-N 3.34Å; R113-L115 PolarHBondContact O-N 3.15Å; L115-V117 VanDerWaalsContact C-N 3.33Å; L115-V117 HydrophobicContact CB-CG1 3.87Å; L115-V117 HydrophobicContact CD2-CG1 3.63Å; L115-V117 HydrophobicContact CG-CG1 3.68Å; L115-V117 PolarHBondContact O-N 3.28Å
116E87.3Confident93.3Very high162 Ų16222 Ų2276%0.75710%0.102SC*.THydrogen-bonded Turntrans53.349-176.8-58.1179.9171.400111.8L112 R113 G118L112-E116 PolarHBondContact O-N 3.14Å; L112-E116 VanDerWaalsContact O-N 3.14Å; R113-E116 PolarHBondContact O-N 2.99Å; R113-E116 VanDerWaalsContact O-N 3.16Å; E116-G118 VanDerWaalsContact C-N 3.27Å; E116-G118 PolarHBondContact O-N 2.67Å
117V84.8Confident93.2Very high1 Ų126.6 Ų26.61%0.00612%0.124CC..  trans-69.3-22.6-175.6-62.80000113.8L32 R78 Y80 I82 L112 L115L32-V117 HydrophobicContact CD1-CG1 3.7Å; R78-V117 CarbonylContact C-O 3.53Å; R78-V117 VanDerWaalsContact C-O 3.26Å; R78-V117 WeakPolarHBondContact CB-O 3.5Å; Y80-V117 HydrophobicContact CD2-CB 4.15Å; Y80-V117 WeakPolarHBondContact CD2-O 3.41Å; Y80-V117 PolarHBondContact N-O 2.82Å; I82-V117 HydrophobicContact CD1-CG2 3.95Å; L112-V117 HydrophobicContact CB-CG2 3.8Å; L112-V117 HydrophobicContact CD2-CG1 4.01Å; L112-V117 HydrophobicContact CD2-CG2 4.06Å; L112-V117 HydrophobicContact CG-CG2 4.4Å; L112-V117 PolarHBondContact O-N 3.02Å; L115-V117 VanDerWaalsContact C-N 3.33Å; L115-V117 HydrophobicContact CB-CG1 3.87Å; L115-V117 HydrophobicContact CD2-CG1 3.63Å; L115-V117 HydrophobicContact CG-CG1 3.68Å; L115-V117 PolarHBondContact O-N 3.28Å
118G85.4Confident93Very high17 Ų1729.6 Ų29.618%0.17515%0.145CC..EExtended strand (participates in β ladder)trans132.4-129.8-169.700000109.4Y80 E116Y80-G118 WeakPolarHBondContact O-CA 3.29Å; E116-G118 VanDerWaalsContact C-N 3.27Å; E116-G118 PolarHBondContact O-N 2.67Å
119S90.7Very high93.1Very high25 Ų2530.3 Ų30.318%0.17515%0.149CC..EExtended strand (participates in β ladder)trans-111.2136.6-171.7-40.40000111.5Y80 Q81 I82 C136 D137Y80-S119 PolarHBondContact O-N 2.82Å; Q81-S119 WeakPolarHBondContact CA-O 3.36Å; I82-S119 PolarHBondContact N-O 3.42Å; S119-C136 CarbonylContact C-O 3.52Å; S119-C136 VanDerWaalsContact CA-O 3.29Å; S119-C136 WeakPolarHBondContact CA-O 3.32Å; S119-D137 WeakPolarHBondContact CB-OD1 3.42Å; S119-D137 PolarHBondContact OG-OD1 2.84Å
120V93.6Very high93.1Very high7 Ų734.7 Ų34.74%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-115.7136.3176.6-176.50000108.9I82 I84 L112 C136I82-V120 HydrophobicContact CB-CG2 4.49Å; I82-V120 CarbonylContact O-C 3.55Å; I82-V120 VanDerWaalsContact O-CA 3.29Å; I82-V120 WeakPolarHBondContact O-CA 3.12Å; I84-V120 HydrophobicContact CD1-CG1 4.02Å; I84-V120 HydrophobicContact CG1-CG1 4.33Å; L112-V120 HydrophobicContact CB-CG2 4.06Å; L112-V120 HydrophobicContact CD1-CG2 3.94Å; V120-C136 PolarHBondContact N-O 2.86Å; V120-C136 PolarHBondContact O-N 3.26Å
121A95.9Very high93.3Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-122154171.500000109.3I82 I83 I84 L131 S133 L135I82-A121 PolarHBondContact O-N 3.02Å; I83-A121 WeakPolarHBondContact CA-O 3.44Å; I83-A121 HydrophobicContact CG1-CB 4.1Å; I84-A121 PolarHBondContact N-O 3.26Å; A121-L131 HydrophobicContact CB-CD1 4.25Å; A121-S133 CarbonylContact C-O 3.58Å; A121-S133 WeakPolarHBondContact CA-O 3.35Å; A121-S133 WeakPolarHBondContact CB-O 3.36Å; A121-L135 HydrophobicContact CB-CB 4.43Å; A121-L135 HydrophobicContact CB-CD2 3.63Å; A121-L135 HydrophobicContact CB-CG 3.82Å
122V97.6Very high93.3Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-129.1128.7176.2-1720000109.5I84 I86 L105 L132 S133 F139 V147I84-V122 HydrophobicContact CB-CG2 4.48Å; I84-V122 WeakPolarHBondContact O-CA 3.44Å; I86-V122 HydrophobicContact CG1-CG1 4.42Å; L105-V122 HydrophobicContact CD1-CG1 3.98Å; L105-V122 HydrophobicContact CD1-CG2 3.77Å; L105-V122 HydrophobicContact CD2-CG1 4.44Å; V122-L132 PolarHBondContact O-N 2.84Å; V122-S133 PolarHBondContact N-O 2.82Å; V122-S133 PolarHBondContact O-N 3.02Å; V122-F139 HydrophobicContact CB-CE2 4.44Å; V122-F139 HydrophobicContact CG2-CD2 4.25Å; V122-F139 HydrophobicContact CG2-CE2 3.44Å; V122-F139 VanDerWaalsContact CG2-CE2 3.44Å; V122-F139 HydrophobicContact CG2-CZ 4Å; V122-V147 HydrophobicContact CB-CG1 4.47Å; V122-V147 HydrophobicContact CB-CG2 4.06Å; V122-V147 HydrophobicContact CG1-CG1 3.74Å; V122-V147 HydrophobicContact CG1-CG2 4.22Å
123C97.7Very high93.5Very high0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-125.8156.4172.665.20000109.8I84 A85 I86 E130 L131 F170I84-C123 PolarHBondContact O-N 3.23Å; A85-C123 WeakPolarHBondContact CA-O 3.27Å; A85-C123 VanDerWaalsContact CB-SG 3.58Å; I86-C123 PolarHBondContact N-O 3.02Å; C123-E130 CarbonylContact C-O 3.57Å; C123-E130 WeakPolarHBondContact CA-O 3.4Å; C123-E130 VanDerWaalsContact CB-O 3.23Å; C123-E130 WeakPolarHBondContact CB-O 3.38Å; C123-L131 HydrophobicContact CB-CD1 4.22Å; C123-F170 HydrophobicContact CB-CD2 4.31Å; C123-F170 HydrophobicContact CB-CE2 3.86Å
124K97.5Very high93.6Very high19 Ų1938 Ų388%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-105.9155.1165.669.1174.9-179.8-169.70109.8I86 T129 E130 L132 G150 L151I86-K124 CarbonylContact O-C 3.39Å; I86-K124 VanDerWaalsContact O-CA 3.24Å; I86-K124 WeakPolarHBondContact O-CA 3.21Å; K124-T129 WeakPolarHBondContact O-CA 3.45Å; K124-E130 WeakPolarHBondContact CE-OE2 3.42Å; K124-E130 HydrophobicContact CG-CB 4.04Å; K124-E130 PolarHBondContact N-O 3.38Å; K124-E130 IonicContact NZ-OE2 2.8Å; K124-E130 PolarHBondContact NZ-OE2 2.72Å; K124-E130 PolarHBondContact O-N 3.24Å; K124-L132 HydrophobicContact CB-CD1 3.91Å; K124-L132 HydrophobicContact CB-CG 4.34Å; K124-L132 HydrophobicContact CD-CD1 4.28Å; K124-L132 HydrophobicContact CD-CD2 4.1Å; K124-L132 HydrophobicContact CD-CG 4.47Å; K124-L132 HydrophobicContact CG-CD1 4.12Å; K124-L132 HydrophobicContact CG-CD2 4.18Å; K124-L132 HydrophobicContact CG-CG 4.13Å; K124-G150 WeakPolarHBondContact CD-O 3.48Å; K124-G150 PolarHBondContact NZ-O 2.9Å; K124-L151 HydrophobicContact CB-CD2 3.75Å
125F97.2Very high93.7Very high0 Ų034.6 Ų34.60%019%0.189CC..EExtended strand (participates in β ladder)trans-143.6146.4172.872.2-78.4000111.2A85 I86 D87 S88 S128 T129 T158 V160 L163 I192A85-F125 HydrophobicContact CB-CD1 3.91Å; A85-F125 HydrophobicContact CB-CE1 4.05Å; I86-F125 VanDerWaalsContact C-CE1 3.44Å; I86-F125 WeakPolarHBondContact O-CD1 3.43Å; I86-F125 PolarHBondContact O-N 3.46Å; D87-F125 CarbonylContact C-O 3.55Å; D87-F125 WeakPolarHBondContact CA-O 3.41Å; D87-F125 HydrophobicContact CB-CE1 3.81Å; D87-F125 HydrophobicContact CB-CE2 4.11Å; D87-F125 HydrophobicContact CB-CZ 3.55Å; D87-F125 VanDerWaalsContact N-CE1 3.25Å; S88-F125 PolarHBondContact N-O 3.28Å; S88-F125 PolarHBondContact OG-O 2.79Å; S88-F125 VanDerWaalsContact OG-O 3.13Å; F125-S128 WeakPolarHBondContact CA-O 3.35Å; F125-T129 HydrophobicContact CB-CG2 4.48Å; F125-T158 HydrophobicContact CD2-CG2 4.23Å; F125-T158 HydrophobicContact CE2-CG2 3.65Å; F125-V160 HydrophobicContact CE2-CG2 4.17Å; F125-L163 HydrophobicContact CB-CB 4.08Å; F125-L163 HydrophobicContact CB-CD1 4.21Å; F125-L163 HydrophobicContact CB-CD2 4.46Å; F125-L163 HydrophobicContact CB-CG 4.47Å; F125-L163 HydrophobicContact CD1-CD1 4.46Å; F125-L163 HydrophobicContact CD1-CD2 3.8Å; F125-L163 HydrophobicContact CD2-CB 4.35Å; F125-L163 HydrophobicContact CD2-CD2 4.11Å; F125-L163 HydrophobicContact CE1-CD2 3.97Å; F125-L163 HydrophobicContact CE2-CD2 4.28Å; F125-L163 HydrophobicContact CG-CB 4.21Å; F125-L163 HydrophobicContact CG-CD1 4.42Å; F125-L163 HydrophobicContact CG-CD2 3.85Å; F125-L163 HydrophobicContact CG-CG 4.38Å; F125-L163 HydrophobicContact CZ-CD2 4.2Å; F125-I192 HydrophobicContact CE1-CG2 3.78Å; F125-I192 HydrophobicContact CZ-CG2 3.56Å
126G94.2Very high93.6Very high0 Ų036 Ų360%020%0.199CC..SBendtrans-160.1-104.3173.600000108S128 E155 R157 T158 N159G126-S128 VanDerWaalsContact C-N 3.33Å; G126-S128 PolarHBondContact N-O 3.34Å; G126-S128 VanDerWaalsContact N-O 3.09Å; G126-E155 WeakPolarHBondContact CA-OE2 3.2Å; G126-R157 CarbonylContact C-O 3.43Å; G126-R157 VanDerWaalsContact CA-O 3.25Å; G126-R157 WeakPolarHBondContact CA-O 3.48Å; G126-T158 CarbonylContact O-C 2.94Å; G126-N159 WeakPolarHBondContact O-CA 3.44Å; G126-N159 VanDerWaalsContact O-CB 3.23Å; G126-N159 WeakPolarHBondContact O-CB 3.37Å; G126-N159 PolarHBondContact O-N 3.4Å
127E93.4Very high93.4Very high97 Ų9732.3 Ų32.345%0.45319%0.185SC..SBendtrans-72.1-33.4167.4-71.9175.1-151.300111.5E155 L156 R157E127-E155 HydrophobicContact CG-CB 4.29Å; E127-E155 PolarHBondContact N-OE2 2.9Å; E127-L156 WeakPolarHBondContact OE1-CA 3.23Å; E127-L156 VanDerWaalsContact OE1-CB 3.25Å; E127-L156 WeakPolarHBondContact OE1-CB 3.23Å; E127-L156 PolarHBondContact OE1-N 3.47Å; E127-R157 HydrophobicContact CG-CB 4.04Å; E127-R157 PolarHBondContact N-O 3.29Å
128S93.4Very high93.2Very high63 Ų6339.4 Ų39.444%0.44122%0.217SC..SBendtrans-131.8160.8177.566.10000111.1F125 G126 E155F125-S128 WeakPolarHBondContact CA-O 3.35Å; G126-S128 VanDerWaalsContact C-N 3.33Å; G126-S128 PolarHBondContact N-O 3.34Å; G126-S128 VanDerWaalsContact N-O 3.09Å; S128-E155 PolarHBondContact N-OE2 3.21Å
129T96.9Very high93.3Very high21 Ų2139 Ų3913%0.12921%0.21CC..EExtended strand (participates in β ladder)trans-105.8127.3176.4-53.70000110.1K124 F125 N162 L163 C166 F170K124-T129 WeakPolarHBondContact O-CA 3.45Å; F125-T129 HydrophobicContact CB-CG2 4.48Å; T129-N162 WeakPolarHBondContact CB-OD1 3.36Å; T129-N162 PolarHBondContact N-OD1 3.34Å; T129-N162 VanDerWaalsContact N-OD1 3.08Å; T129-N162 PolarHBondContact OG1-OD1 2.8Å; T129-L163 HydrophobicContact CG2-CD1 3.76Å; T129-L163 WeakPolarHBondContact OG1-CA 3.04Å; T129-L163 PolarHBondContact OG1-N 2.93Å; T129-C166 HydrophobicContact CG2-CB 3.92Å; T129-F170 HydrophobicContact CG2-CE2 3.66Å; T129-F170 HydrophobicContact CG2-CZ 3.81Å
130E96.4Very high93.3Very high91 Ų9141.3 Ų41.343%0.42522%0.221SC..EExtended strand (participates in β ladder)trans-130.6128.3-178.8-172.3-171.7153.600110.4C123 K124 L132C123-E130 CarbonylContact C-O 3.57Å; C123-E130 WeakPolarHBondContact CA-O 3.4Å; C123-E130 VanDerWaalsContact CB-O 3.23Å; C123-E130 WeakPolarHBondContact CB-O 3.38Å; K124-E130 WeakPolarHBondContact CE-OE2 3.42Å; K124-E130 HydrophobicContact CG-CB 4.04Å; K124-E130 PolarHBondContact N-O 3.38Å; K124-E130 IonicContact NZ-OE2 2.8Å; K124-E130 PolarHBondContact NZ-OE2 2.72Å; K124-E130 PolarHBondContact O-N 3.24Å; E130-L132 HydrophobicContact CG-CD2 4.44Å; E130-L132 PolarHBondContact O-N 3.39Å
131L96.9Very high93.2Very high60 Ų6044.3 Ų44.331%0.31424%0.237SC..EExtended strand (participates in β ladder)trans-78.3110.2174-173.666000109.6A121 C123 S133 P134 F170A121-L131 HydrophobicContact CB-CD1 4.25Å; C123-L131 HydrophobicContact CB-CD1 4.22Å; L131-S133 WeakPolarHBondContact CD1-O 3.24Å; L131-P134 HydrophobicContact CD2-CB 4.11Å; L131-F170 HydrophobicContact CB-CD1 4.17Å; L131-F170 HydrophobicContact CB-CE1 3.9Å; L131-F170 HydrophobicContact CB-CZ 4.09Å; L131-F170 HydrophobicContact CD1-CB 4.32Å; L131-F170 HydrophobicContact CD1-CD1 4.32Å; L131-F170 HydrophobicContact CD1-CD2 4.14Å; L131-F170 HydrophobicContact CD1-CG 4.02Å; L131-F170 HydrophobicContact CD2-CD1 4.03Å; L131-F170 HydrophobicContact CD2-CG 4.41Å; L131-F170 HydrophobicContact CG-CD1 4.43Å
132L96.2Very high93.1Very high35 Ų3549.9 Ų49.918%0.18327%0.266CS..EExtended strand (participates in β ladder)trans-85.5-32.6-179.5-62.4-178.9000112.2V122 K124 E130 V147 L151V122-L132 PolarHBondContact O-N 2.84Å; K124-L132 HydrophobicContact CB-CD1 3.91Å; K124-L132 HydrophobicContact CB-CG 4.34Å; K124-L132 HydrophobicContact CD-CD1 4.28Å; K124-L132 HydrophobicContact CD-CD2 4.1Å; K124-L132 HydrophobicContact CD-CG 4.47Å; K124-L132 HydrophobicContact CG-CD1 4.12Å; K124-L132 HydrophobicContact CG-CD2 4.18Å; K124-L132 HydrophobicContact CG-CG 4.13Å; E130-L132 HydrophobicContact CG-CD2 4.44Å; E130-L132 PolarHBondContact O-N 3.39Å; L132-V147 HydrophobicContact CB-CG2 4.03Å; L132-V147 HydrophobicContact CD1-CG1 4Å; L132-L151 HydrophobicContact CD1-CD2 4.11Å; L132-L151 HydrophobicContact CD1-CG 4.09Å
133S94.8Very high92.9Very high5 Ų551.6 Ų51.64%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-142.1118.5177.5177.30000108.9A121 V122 L131 T143A121-S133 CarbonylContact C-O 3.58Å; A121-S133 WeakPolarHBondContact CA-O 3.35Å; A121-S133 WeakPolarHBondContact CB-O 3.36Å; V122-S133 PolarHBondContact N-O 2.82Å; V122-S133 PolarHBondContact O-N 3.02Å; L131-S133 WeakPolarHBondContact CD1-O 3.24Å; S133-T143 WeakPolarHBondContact OG-CG2 3.38Å
134P94.6Very high92.8Very high84 Ų8451.6 Ų51.655%0.54528%0.276SS..EExtended strand (participates in β ladder)trans-68.4168.6177.431.1-35.6000111.5L131 C136L131-P134 HydrophobicContact CD2-CB 4.11Å; P134-C136 PolarHBondContact O-N 3.02Å
135L92.6Very high92.7Very high35 Ų3551 Ų5118%0.18328%0.276CS..EExtended strand (participates in β ladder)trans-56.1114.2177.6-76.1171.2000110.4Q81 A121 F170 F171Q81-L135 HydrophobicContact CB-CD1 4.29Å; Q81-L135 HydrophobicContact CB-CD2 4.19Å; Q81-L135 HydrophobicContact CG-CD1 4.14Å; A121-L135 HydrophobicContact CB-CB 4.43Å; A121-L135 HydrophobicContact CB-CD2 3.63Å; A121-L135 HydrophobicContact CB-CG 3.82Å; L135-F170 WeakPolarHBondContact CD1-O 3.1Å; L135-F171 HydrophobicContact CD1-CD1 4.26Å
136C89.1Confident92.6Very high35 Ų3553.4 Ų53.424%0.23630%0.295CS..EExtended strand (participates in β ladder)trans-133.4148.7176.1670000111.2S119 V120 P134 H138S119-C136 CarbonylContact C-O 3.52Å; S119-C136 VanDerWaalsContact CA-O 3.29Å; S119-C136 WeakPolarHBondContact CA-O 3.32Å; V120-C136 PolarHBondContact N-O 2.86Å; V120-C136 PolarHBondContact O-N 3.26Å; P134-C136 PolarHBondContact O-N 3.02Å; C136-H138 PolarHBondContact O-N 2.75Å; C136-H138 PolarHBondContact SG-O 2.89Å
137D82.4Confident92.7Very high84 Ų8453.4 Ų53.445%0.44930%0.295SS..SBendtrans-77.3-12.3175.5-70-2.1000111.9S119S119-D137 WeakPolarHBondContact CB-OD1 3.42Å; S119-D137 PolarHBondContact OG-OD1 2.84Å
138H80.7Confident92.7Very high150 Ų15049 Ų4969%0.69428%0.275SS*.  trans-131.4101.3-175.8-59.4-39.1000109.9C136C136-H138 PolarHBondContact O-N 2.75Å; C136-H138 PolarHBondContact SG-O 2.89Å
139F87.3Confident92.8Very high7 Ų751 Ų513%0.03128%0.277CS..  trans-90.297.4168.5-162.5-86.2000108.7W10 R113 V122 T143 V147W10-F139 HydrophobicContact CH2-CD1 4.42Å; W10-F139 AromaticContact CH2-CE1 3.57Å; W10-F139 HydrophobicContact CH2-CE1 3.57Å; W10-F139 HydrophobicContact CH2-CZ 4.37Å; W10-F139 HydrophobicContact CZ2-CD1 4.08Å; W10-F139 AromaticContact CZ2-CE1 3.49Å; W10-F139 HydrophobicContact CZ2-CE1 3.49Å; W10-F139 VanDerWaalsContact CZ2-CE1 3.49Å; R113-F139 WeakPolarHBondContact CD-O 3.45Å; V122-F139 HydrophobicContact CB-CE2 4.44Å; V122-F139 HydrophobicContact CG2-CD2 4.25Å; V122-F139 HydrophobicContact CG2-CE2 3.44Å; V122-F139 VanDerWaalsContact CG2-CE2 3.44Å; V122-F139 HydrophobicContact CG2-CZ 4Å; F139-T143 HydrophobicContact CD2-CG2 3.84Å; F139-T143 HydrophobicContact CE2-CG2 3.58Å; F139-T143 HydrophobicContact CZ-CG2 4.09Å; F139-V147 HydrophobicContact CE2-CG2 4.24Å; F139-V147 HydrophobicContact CZ-CG2 4.03Å
140D90.5Very high92.6Very high74 Ų7450.8 Ų50.840%0.39628%0.28SS..  trans-94.6175.6-17870.5-0.9000112.6L142 T143 G144D140-L142 VanDerWaalsContact C-N 3.27Å; D140-L142 PolarHBondContact O-N 3.25Å; D140-L142 PolarHBondContact OD1-N 3.35Å; D140-T143 PolarHBondContact O-N 2.76Å; D140-T143 WeakPolarHBondContact OD1-CB 3.44Å; D140-T143 PolarHBondContact OD1-N 3.46Å; D140-T143 PolarHBondContact OD1-OG1 3.41Å; D140-G144 PolarHBondContact O-N 2.89Å
141D93Very high92.4Very high70 Ų7046.7 Ų46.737%0.37426%0.261SS..Hα-helixtrans-67.5-28.1-176.9-69.8-28.8000113.2L7 W10 T11 A145L7-D141 HydrophobicContact CD1-CB 4.1Å; W10-D141 PolarHBondContact NE1-OD1 3.24Å; W10-D141 VanDerWaalsContact NE1-OD1 3.09Å; T11-D141 HydrophobicContact CG2-CB 4.31Å; D141-A145 WeakPolarHBondContact O-CB 3.45Å; D141-A145 PolarHBondContact O-N 2.67Å
142L93.5Very high92Very high118 Ų11847.7 Ų47.762%0.61827%0.266SS*.Hα-helixtrans-70.7-43175.6-65.5176.5000111.1L7 D140 G144 A145 A146L7-L142 HydrophobicContact CD1-CD2 4.38Å; L7-L142 HydrophobicContact CD2-CD2 4.49Å; D140-L142 VanDerWaalsContact C-N 3.27Å; D140-L142 PolarHBondContact O-N 3.25Å; D140-L142 PolarHBondContact OD1-N 3.35Å; L142-G144 VanDerWaalsContact C-N 3.34Å; L142-A145 PolarHBondContact O-N 2.89Å; L142-A146 WeakPolarHBondContact O-CB 3.29Å; L142-A146 PolarHBondContact O-N 2.97Å
143T93.4Very high91.7Very high35 Ų3546 Ų4622%0.21526%0.257CS..Hα-helixtrans-62.1-44.6173.6-56.10000110.4S133 F139 D140 A145 A146 V147S133-T143 WeakPolarHBondContact OG-CG2 3.38Å; F139-T143 HydrophobicContact CD2-CG2 3.84Å; F139-T143 HydrophobicContact CE2-CG2 3.58Å; F139-T143 HydrophobicContact CZ-CG2 4.09Å; D140-T143 PolarHBondContact O-N 2.76Å; D140-T143 WeakPolarHBondContact OD1-CB 3.44Å; D140-T143 PolarHBondContact OD1-N 3.46Å; D140-T143 PolarHBondContact OD1-OG1 3.41Å; T143-A145 PolarHBondContact O-N 3.2Å; T143-A146 PolarHBondContact O-N 2.84Å; T143-V147 WeakPolarHBondContact O-CG2 3.43Å; T143-V147 PolarHBondContact O-N 3.24Å
144G95.3Very high91.4Very high0 Ų049.1 Ų49.10%028%0.279CS..Hα-helixtrans-59.4-44.1174.800000113.4D140 L142 V147 V148D140-G144 PolarHBondContact O-N 2.89Å; L142-G144 VanDerWaalsContact C-N 3.34Å; G144-V147 PolarHBondContact O-N 2.83Å; G144-V148 WeakPolarHBondContact O-CG2 3.37Å; G144-V148 PolarHBondContact O-N 3.08Å
145A95.4Very high91.3Very high8 Ų846.1 Ų46.17%0.06626%0.258CS..Hα-helixtrans-61.4-43.7175.100000112.4C6 L7 D141 L142 T143 V147 V148 Q149C6-A145 HydrophobicContact CB-CB 4.37Å; L7-A145 HydrophobicContact CB-CB 3.98Å; L7-A145 HydrophobicContact CD1-CB 4Å; D141-A145 WeakPolarHBondContact O-CB 3.45Å; D141-A145 PolarHBondContact O-N 2.67Å; L142-A145 PolarHBondContact O-N 2.89Å; T143-A145 PolarHBondContact O-N 3.2Å; A145-V147 VanDerWaalsContact C-N 3.33Å; A145-V147 PolarHBondContact O-N 3.47Å; A145-V148 PolarHBondContact O-N 3.2Å; A145-Q149 WeakPolarHBondContact O-CB 3.43Å; A145-Q149 PolarHBondContact O-N 2.91Å
146A94.8Very high91.2Very high50 Ų5050.9 Ų50.941%0.41328%0.283SS..Hα-helixtrans-63-39.6176.600000111.9L142 T143 Q149 G150L142-A146 WeakPolarHBondContact O-CB 3.29Å; L142-A146 PolarHBondContact O-N 2.97Å; T143-A146 PolarHBondContact O-N 2.84Å; A146-Q149 WeakPolarHBondContact O-CB 3.42Å; A146-Q149 PolarHBondContact O-N 2.89Å; A146-G150 PolarHBondContact O-N 3.2Å
147V95.6Very high91.3Very high0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-62.3-47.8173.6170.30000110.9L105 V122 L132 F139 T143 G144 A145 Q149 G150 L151L105-V147 HydrophobicContact CD2-CB 4.46Å; L105-V147 HydrophobicContact CD2-CG1 3.5Å; L105-V147 VanDerWaalsContact CD2-CG1 3.5Å; V122-V147 HydrophobicContact CB-CG1 4.47Å; V122-V147 HydrophobicContact CB-CG2 4.06Å; V122-V147 HydrophobicContact CG1-CG1 3.74Å; V122-V147 HydrophobicContact CG1-CG2 4.22Å; L132-V147 HydrophobicContact CB-CG2 4.03Å; L132-V147 HydrophobicContact CD1-CG1 4Å; F139-V147 HydrophobicContact CE2-CG2 4.24Å; F139-V147 HydrophobicContact CZ-CG2 4.03Å; T143-V147 WeakPolarHBondContact O-CG2 3.43Å; T143-V147 PolarHBondContact O-N 3.24Å; G144-V147 PolarHBondContact O-N 2.83Å; A145-V147 VanDerWaalsContact C-N 3.33Å; A145-V147 PolarHBondContact O-N 3.47Å; V147-Q149 PolarHBondContact O-N 3.07Å; V147-G150 PolarHBondContact O-N 3.19Å; V147-L151 HydrophobicContact CG1-CD1 3.96Å; V147-L151 HydrophobicContact CG1-CG 4.42Å; V147-L151 WeakPolarHBondContact O-CG 3.28Å; V147-L151 PolarHBondContact O-N 3.24Å; V147-L151 VanDerWaalsContact O-N 3.13Å
148V94.9Very high91.8Very high5 Ų554.8 Ų54.83%0.0329%0.287CS..Hα-helixtrans-58.4-38.8176.3170.70000111.3M1 C6 I9 W10 I102 G144 A145 G150 L151M1-V148 HydrophobicContact CE-CG1 4.45Å; C6-V148 HydrophobicContact CB-CG1 4.5Å; I9-V148 HydrophobicContact CG2-CG1 4.18Å; W10-V148 HydrophobicContact CB-CG2 4.31Å; W10-V148 HydrophobicContact CE3-CG2 3.78Å; I102-V148 HydrophobicContact CG2-CG2 3.99Å; G144-V148 WeakPolarHBondContact O-CG2 3.37Å; G144-V148 PolarHBondContact O-N 3.08Å; A145-V148 PolarHBondContact O-N 3.2Å; V148-G150 VanDerWaalsContact C-N 3.33Å; V148-G150 PolarHBondContact O-N 3.46Å; V148-L151 PolarHBondContact O-N 3.38Å
149Q93.9Very high92.5Very high104 Ų10449 Ų4949%0.48626%0.262SS..Hα-helixtrans-64.1-37.2176.3-169.1177.30.900112.5C6 A145 A146 V147 L151C6-Q149 HydrophobicContact CB-CB 4.33Å; A145-Q149 WeakPolarHBondContact O-CB 3.43Å; A145-Q149 PolarHBondContact O-N 2.91Å; A146-Q149 WeakPolarHBondContact O-CB 3.42Å; A146-Q149 PolarHBondContact O-N 2.89Å; V147-Q149 PolarHBondContact O-N 3.07Å; Q149-L151 VanDerWaalsContact C-N 3.33Å
150G93.2Very high93Very high17 Ų1748.8 Ų48.818%0.17526%0.261CS..Hα-helixtrans-73.6-20.8177.700000114.6K124 A146 V147 V148 N152K124-G150 WeakPolarHBondContact CD-O 3.48Å; K124-G150 PolarHBondContact NZ-O 2.9Å; A146-G150 PolarHBondContact O-N 3.2Å; V147-G150 PolarHBondContact O-N 3.19Å; V148-G150 VanDerWaalsContact C-N 3.33Å; V148-G150 PolarHBondContact O-N 3.46Å; G150-N152 PolarHBondContact O-N 3.37Å
151L92.5Very high93.3Very high5 Ų545.5 Ų45.53%0.02624%0.244CC..  trans-86.885-179.9-68.4172.1000111.6I86 K124 L132 V147 V148 Q149 F153I86-L151 HydrophobicContact CB-CD1 4.47Å; I86-L151 HydrophobicContact CB-CD2 3.85Å; I86-L151 HydrophobicContact CG1-CD1 4.5Å; I86-L151 HydrophobicContact CG2-CD1 4.12Å; I86-L151 HydrophobicContact CG2-CD2 3.74Å; K124-L151 HydrophobicContact CB-CD2 3.75Å; L132-L151 HydrophobicContact CD1-CD2 4.11Å; L132-L151 HydrophobicContact CD1-CG 4.09Å; V147-L151 HydrophobicContact CG1-CD1 3.96Å; V147-L151 HydrophobicContact CG1-CG 4.42Å; V147-L151 WeakPolarHBondContact O-CG 3.28Å; V147-L151 PolarHBondContact O-N 3.24Å; V147-L151 VanDerWaalsContact O-N 3.13Å; V148-L151 PolarHBondContact O-N 3.38Å; Q149-L151 VanDerWaalsContact C-N 3.33Å; L151-F153 HydrophobicContact CB-CD2 4.32Å; L151-F153 HydrophobicContact CB-CE2 3.67Å; L151-F153 HydrophobicContact CB-CZ 4.08Å; L151-F153 HydrophobicContact CD1-CZ 4.42Å; L151-F153 WeakPolarHBondContact O-CD2 3.19Å
152N87.3Confident93.4Very high80 Ų8044.5 Ų44.543%0.42824%0.238SC..  trans-88.2-14.9178.862.613.4000114.4G150 S154G150-N152 PolarHBondContact O-N 3.37Å; N152-S154 PolarHBondContact ND2-OG 3.07Å; N152-S154 PolarHBondContact O-N 3.01Å; N152-S154 PolarHBondContact OD1-N 3.25Å; N152-S154 PolarHBondContact OD1-OG 3.26Å
153F90.1Very high93.6Very high0 Ų038.9 Ų38.90%021%0.209CC..  trans55.624.4-178.9-59.9-85.2000114.6I86 D87 S88 S89 M92 M93 K98 I102 L151I86-F153 HydrophobicContact CG2-CE1 4.33Å; I86-F153 HydrophobicContact CG2-CZ 4.42Å; D87-F153 WeakPolarHBondContact O-CD1 3.41Å; D87-F153 VanDerWaalsContact O-CE1 3.24Å; D87-F153 WeakPolarHBondContact O-CE1 3.34Å; S88-F153 CarbonylContact O-C 3.51Å; S88-F153 WeakPolarHBondContact O-CA 3.27Å; S89-F153 CarbonylContact C-O 3.05Å; M92-F153 HydrophobicContact CB-CD1 3.64Å; M92-F153 HydrophobicContact CB-CE1 4.13Å; M93-F153 HydrophobicContact CG-CB 4.17Å; M93-F153 WeakPolarHBondContact CG-O 3.21Å; M93-F153 HydrophobicContact SD-CB 3.51Å; M93-F153 VanDerWaalsContact SD-CB 3.51Å; K98-F153 HydrophobicContact CB-CE2 4.46Å; K98-F153 HydrophobicContact CB-CZ 4.46Å; K98-F153 HydrophobicContact CD-CD2 3.63Å; K98-F153 HydrophobicContact CD-CE2 3.76Å; K98-F153 HydrophobicContact CD-CG 4.34Å; K98-F153 HydrophobicContact CG-CD2 3.9Å; K98-F153 HydrophobicContact CG-CE2 3.56Å; K98-F153 HydrophobicContact CG-CZ 3.9Å; I102-F153 HydrophobicContact CD1-CE2 4.38Å; I102-F153 HydrophobicContact CG1-CZ 4.47Å; L151-F153 HydrophobicContact CB-CD2 4.32Å; L151-F153 HydrophobicContact CB-CE2 3.67Å; L151-F153 HydrophobicContact CB-CZ 4.08Å; L151-F153 HydrophobicContact CD1-CZ 4.42Å; L151-F153 WeakPolarHBondContact O-CD2 3.19Å
154S89.9Confident93.9Very high70 Ų7037.4 Ų37.449%0.4920%0.2SC..  trans-101.80.1-168.863.80000115.1S88 N152S88-S154 PolarHBondContact O-N 2.97Å; N152-S154 PolarHBondContact ND2-OG 3.07Å; N152-S154 PolarHBondContact O-N 3.01Å; N152-S154 PolarHBondContact OD1-N 3.25Å; N152-S154 PolarHBondContact OD1-OG 3.26Å
155E92Very high93.9Very high21 Ų2143.8 Ų43.810%0.09823%0.227CC..BIsolated β-bridgetrans-74.5138.2-175.4-64.8175.3-104.200111.1S88 S89 S90 G126 E127 S128 R157S88-E155 WeakPolarHBondContact CB-OE1 3.35Å; S88-E155 PolarHBondContact O-N 2.91Å; S88-E155 PolarHBondContact OG-OE1 3.01Å; S89-E155 CarbonylContact C-O 3.6Å; S89-E155 VanDerWaalsContact CA-O 3.24Å; S89-E155 WeakPolarHBondContact CA-O 3.26Å; S90-E155 WeakPolarHBondContact CB-O 3.22Å; S90-E155 PolarHBondContact N-O 3.1Å; S90-E155 PolarHBondContact OG-O 2.63Å; G126-E155 WeakPolarHBondContact CA-OE2 3.2Å; E127-E155 HydrophobicContact CG-CB 4.29Å; E127-E155 PolarHBondContact N-OE2 2.9Å; S128-E155 PolarHBondContact N-OE2 3.21Å; E155-R157 VanDerWaalsContact C-N 3.31Å; E155-R157 PolarHBondContact O-N 2.86Å
156L90.8Very high94Very high135 Ų13544.9 Ų44.971%0.70724%0.235SC*.SBendtrans-75.6-22.5-171.6-63.4171.5000113.1E127E127-L156 WeakPolarHBondContact OE1-CA 3.23Å; E127-L156 VanDerWaalsContact OE1-CB 3.25Å; E127-L156 WeakPolarHBondContact OE1-CB 3.23Å; E127-L156 PolarHBondContact OE1-N 3.47Å
157R91.4Very high94.1Very high188 Ų18842.5 Ų42.571%0.70922%0.215SC*.  trans-132.3163-174.3-61.6-176.4177.5149.20.5111.8S89 G126 E127 E155S89-R157 WeakPolarHBondContact CB-O 3.44Å; G126-R157 CarbonylContact C-O 3.43Å; G126-R157 VanDerWaalsContact CA-O 3.25Å; G126-R157 WeakPolarHBondContact CA-O 3.48Å; E127-R157 HydrophobicContact CG-CB 4.04Å; E127-R157 PolarHBondContact N-O 3.29Å; E155-R157 VanDerWaalsContact C-N 3.31Å; E155-R157 PolarHBondContact O-N 2.86Å
158T92.4Very high94Very high13 Ų1344.4 Ų44.48%0.0823%0.227CC..  trans-112.1117.8172.9-48.30000108.5D87 S89 F125 G126 V160D87-T158 WeakPolarHBondContact OD2-CG2 3.4Å; S89-T158 WeakPolarHBondContact CB-OG1 3.3Å; S89-T158 PolarHBondContact OG-OG1 3.42Å; S89-T158 VanDerWaalsContact OG-OG1 3.05Å; F125-T158 HydrophobicContact CD2-CG2 4.23Å; F125-T158 HydrophobicContact CE2-CG2 3.65Å; G126-T158 CarbonylContact O-C 2.94Å; T158-V160 HydrophobicContact CG2-CG2 3.92Å
159N95.4Very high94Very high30 Ų3048.4 Ų48.416%0.1626%0.255CS..  trans-117.280.6180-165.6-26.3000110.2G126 C161 N162 L163 E202G126-N159 WeakPolarHBondContact O-CA 3.44Å; G126-N159 VanDerWaalsContact O-CB 3.23Å; G126-N159 WeakPolarHBondContact O-CB 3.37Å; G126-N159 PolarHBondContact O-N 3.4Å; N159-C161 VanDerWaalsContact C-N 3.28Å; N159-C161 PolarHBondContact O-N 3.23Å; N159-C161 PolarHBondContact OD1-N 3.46Å; N159-N162 HydrophobicContact CB-CB 4Å; N159-N162 VanDerWaalsContact CG-CB 3.44Å; N159-N162 PolarHBondContact O-N 3.25Å; N159-N162 WeakPolarHBondContact OD1-CB 3.2Å; N159-N162 PolarHBondContact OD1-N 3.22Å; N159-L163 PolarHBondContact O-N 2.9Å; N159-E202 PolarHBondContact ND2-OE1 2.85Å
160V97Very high94Very high2 Ų245 Ų451%0.01224%0.239CC..Hα-helixtrans-66.3-32.8-179.9-169.70000111.3F125 T158 N162 L163 L164 I192 V199 M207 F261F125-V160 HydrophobicContact CE2-CG2 4.17Å; T158-V160 HydrophobicContact CG2-CG2 3.92Å; V160-N162 VanDerWaalsContact C-N 3.35Å; V160-N162 PolarHBondContact O-N 3.03Å; V160-L163 WeakPolarHBondContact O-CB 3.24Å; V160-L163 PolarHBondContact O-N 3.42Å; V160-L164 HydrophobicContact CG1-CD2 4.47Å; V160-L164 HydrophobicContact CG1-CG 4.4Å; V160-L164 WeakPolarHBondContact O-CG 3.34Å; V160-L164 PolarHBondContact O-N 2.95Å; V160-I192 HydrophobicContact CG1-CD1 4.49Å; V160-V199 HydrophobicContact CG2-CB 4.34Å; V160-V199 HydrophobicContact CG2-CG1 4.31Å; V160-M207 HydrophobicContact CB-CE 4.49Å; V160-M207 HydrophobicContact CB-SD 4.17Å; V160-M207 HydrophobicContact CG1-CE 4.01Å; V160-M207 HydrophobicContact CG1-SD 4.24Å; V160-F261 HydrophobicContact CG1-CE2 4.2Å; V160-F261 HydrophobicContact CG1-CZ 3.69Å
161C96.8Very high93.9Very high4 Ų444.4 Ų44.43%0.02723%0.232CC..Hα-helixtrans-64.6-39176.5-690000111.9N159 L164 K165 E202N159-C161 VanDerWaalsContact C-N 3.28Å; N159-C161 PolarHBondContact O-N 3.23Å; N159-C161 PolarHBondContact OD1-N 3.46Å; C161-L164 PolarHBondContact O-N 2.96Å; C161-K165 VanDerWaalsContact O-CG 3.3Å; C161-K165 WeakPolarHBondContact O-CG 3.41Å; C161-K165 PolarHBondContact O-N 3.19Å; C161-K165 VanDerWaalsContact O-N 3.1Å; C161-E202 HydrophobicContact CB-CB 4.23Å; C161-E202 HydrophobicContact CB-CG 3.95Å
162N96.6Very high93.2Very high50 Ų5047.2 Ų47.227%0.26725%0.251SS..Hα-helixtrans-61.5-45.3172.9-179.6-98.4000111.1T129 N159 V160 L164 K165 C166T129-N162 WeakPolarHBondContact CB-OD1 3.36Å; T129-N162 PolarHBondContact N-OD1 3.34Å; T129-N162 VanDerWaalsContact N-OD1 3.08Å; T129-N162 PolarHBondContact OG1-OD1 2.8Å; N159-N162 HydrophobicContact CB-CB 4Å; N159-N162 VanDerWaalsContact CG-CB 3.44Å; N159-N162 PolarHBondContact O-N 3.25Å; N159-N162 WeakPolarHBondContact OD1-CB 3.2Å; N159-N162 PolarHBondContact OD1-N 3.22Å; V160-N162 VanDerWaalsContact C-N 3.35Å; V160-N162 PolarHBondContact O-N 3.03Å; N162-L164 PolarHBondContact O-N 3.47Å; N162-K165 PolarHBondContact O-N 2.58Å; N162-C166 PolarHBondContact O-N 3.23Å; N162-C166 PolarHBondContact O-SG 3.05Å; N162-C166 VanDerWaalsContact O-SG 3.38Å
163L97.9Very high91.7Very high0 Ų048 Ų480%026%0.264CS..Hα-helixtrans-53.6-54.3173.6169.467.6000111.4A85 F125 T129 N159 V160 K165 C166 V167 I192A85-L163 HydrophobicContact CB-CD1 3.75Å; A85-L163 HydrophobicContact CB-CD2 3.77Å; A85-L163 HydrophobicContact CB-CG 4.4Å; F125-L163 HydrophobicContact CB-CB 4.08Å; F125-L163 HydrophobicContact CB-CD1 4.21Å; F125-L163 HydrophobicContact CB-CD2 4.46Å; F125-L163 HydrophobicContact CB-CG 4.47Å; F125-L163 HydrophobicContact CD1-CD1 4.46Å; F125-L163 HydrophobicContact CD1-CD2 3.8Å; F125-L163 HydrophobicContact CD2-CB 4.35Å; F125-L163 HydrophobicContact CD2-CD2 4.11Å; F125-L163 HydrophobicContact CE1-CD2 3.97Å; F125-L163 HydrophobicContact CE2-CD2 4.28Å; F125-L163 HydrophobicContact CG-CB 4.21Å; F125-L163 HydrophobicContact CG-CD1 4.42Å; F125-L163 HydrophobicContact CG-CD2 3.85Å; F125-L163 HydrophobicContact CG-CG 4.38Å; F125-L163 HydrophobicContact CZ-CD2 4.2Å; T129-L163 HydrophobicContact CG2-CD1 3.76Å; T129-L163 WeakPolarHBondContact OG1-CA 3.04Å; T129-L163 PolarHBondContact OG1-N 2.93Å; N159-L163 PolarHBondContact O-N 2.9Å; V160-L163 WeakPolarHBondContact O-CB 3.24Å; V160-L163 PolarHBondContact O-N 3.42Å; L163-K165 PolarHBondContact O-N 3.06Å; L163-C166 PolarHBondContact O-N 2.62Å; L163-V167 HydrophobicContact CD1-CG2 3.75Å; L163-V167 HydrophobicContact CG-CG2 4.18Å; L163-V167 VanDerWaalsContact O-CG2 3.24Å; L163-V167 WeakPolarHBondContact O-CG2 3.23Å; L163-V167 PolarHBondContact O-N 3.2Å; L163-I192 HydrophobicContact CD2-CD1 3.97Å; L163-I192 HydrophobicContact CD2-CG1 4.1Å; L163-I192 HydrophobicContact CD2-CG2 4.31Å
164L97.9Very high89.7Confident4 Ų452 Ų522%0.02129%0.289CS..Hα-helixtrans-62.3-32.5-176.1-60-161.9000112.5V160 C161 N162 P168 L190 I192 M207 I211 L214 F261V160-L164 HydrophobicContact CG1-CD2 4.47Å; V160-L164 HydrophobicContact CG1-CG 4.4Å; V160-L164 WeakPolarHBondContact O-CG 3.34Å; V160-L164 PolarHBondContact O-N 2.95Å; C161-L164 PolarHBondContact O-N 2.96Å; N162-L164 PolarHBondContact O-N 3.47Å; L164-P168 WeakPolarHBondContact O-CD 3.37Å; L164-L190 HydrophobicContact CD2-CD2 3.73Å; L164-I192 HydrophobicContact CD2-CD1 4.08Å; L164-M207 HydrophobicContact CD1-CE 3.31Å; L164-M207 HydrophobicContact CG-CE 4.13Å; L164-I211 HydrophobicContact CD1-CB 4.41Å; L164-I211 HydrophobicContact CD1-CG1 3.59Å; L164-L214 HydrophobicContact CB-CD2 4.22Å; L164-L214 HydrophobicContact CD2-CD2 3.73Å; L164-L214 HydrophobicContact CG-CD2 4.36Å; L164-F261 HydrophobicContact CD1-CE1 4.29Å; L164-F261 HydrophobicContact CD1-CZ 4.44Å
165K96.1Very high87.5Confident133 Ų13352.1 Ų52.158%0.57830%0.301SS*.Hα-helixtrans-72-33.5174.9-72.1172.8-178177.80113.1C161 N162 L163C161-K165 VanDerWaalsContact O-CG 3.3Å; C161-K165 WeakPolarHBondContact O-CG 3.41Å; C161-K165 PolarHBondContact O-N 3.19Å; C161-K165 VanDerWaalsContact O-N 3.1Å; N162-K165 PolarHBondContact O-N 2.58Å; L163-K165 PolarHBondContact O-N 3.06Å
166C96.9Very high85.3Confident32 Ų3258.8 Ų58.822%0.21634%0.338CS..Hα-helixtrans-79.3-35.1179.3-72.60000112.9T129 N162 L163 P168 S169 F170T129-C166 HydrophobicContact CG2-CB 3.92Å; N162-C166 PolarHBondContact O-N 3.23Å; N162-C166 PolarHBondContact O-SG 3.05Å; N162-C166 VanDerWaalsContact O-SG 3.38Å; L163-C166 PolarHBondContact O-N 2.62Å; C166-P168 VanDerWaalsContact C-CD 3.5Å; C166-S169 WeakPolarHBondContact O-CB 3.34Å; C166-S169 PolarHBondContact O-N 3.06Å; C166-S169 PolarHBondContact O-OG 2.8Å; C166-F170 HydrophobicContact CB-CE2 4.24Å; C166-F170 HydrophobicContact CB-CZ 3.96Å
167V96.9Very high82.9Confident0 Ų056.3 Ų56.30%035%0.345CS..Hα-helixtrans-49.8-44-175161.10000114.8I83 L163 S169 F170 F171 L190 L214I83-V167 HydrophobicContact CD1-CG1 3.97Å; L163-V167 HydrophobicContact CD1-CG2 3.75Å; L163-V167 HydrophobicContact CG-CG2 4.18Å; L163-V167 VanDerWaalsContact O-CG2 3.24Å; L163-V167 WeakPolarHBondContact O-CG2 3.23Å; L163-V167 PolarHBondContact O-N 3.2Å; V167-S169 PolarHBondContact O-N 2.91Å; V167-S169 VanDerWaalsContact O-N 3.13Å; V167-F170 PolarHBondContact O-N 3.32Å; V167-F171 HydrophobicContact CG1-CD2 4.27Å; V167-F171 HydrophobicContact CG1-CE2 3.61Å; V167-F171 HydrophobicContact CG1-CZ 4.45Å; V167-F171 WeakPolarHBondContact O-CD2 3.27Å; V167-L190 HydrophobicContact CG1-CD2 4.37Å; V167-L190 HydrophobicContact CG2-CD1 3.86Å; V167-L190 HydrophobicContact CG2-CD2 3.94Å; V167-L214 HydrophobicContact CB-CD1 4.39Å; V167-L214 HydrophobicContact CG1-CD1 3.85Å; V167-L214 HydrophobicContact CG1-CD2 4.22Å
168P94.7Very high80.4Confident39 Ų3949.2 Ų49.225%0.25333%0.331SS..Hα-helixtrans-53.5-33.7176.5-3137.5000114.4L164 C166 F170 L214 F217L164-P168 WeakPolarHBondContact O-CD 3.37Å; C166-P168 VanDerWaalsContact C-CD 3.5Å; P168-F170 VanDerWaalsContact C-N 3.33Å; P168-L214 HydrophobicContact CG-CD1 3.97Å; P168-F217 HydrophobicContact CB-CD1 4.07Å; P168-F217 HydrophobicContact CB-CD2 4.38Å; P168-F217 HydrophobicContact CB-CE1 3.78Å; P168-F217 HydrophobicContact CB-CE2 4.08Å; P168-F217 HydrophobicContact CB-CG 4.37Å; P168-F217 HydrophobicContact CB-CZ 3.76Å; P168-F217 HydrophobicContact CG-CD1 4.24Å; P168-F217 HydrophobicContact CG-CE1 4.43Å; P168-F217 HydrophobicContact CG-CG 4.41Å
169S94.2Very high77.8Confident89 Ų8955 Ų5562%0.62236%0.361SS*.Hα-helixtrans-76.9-17.1179.972.50000114.2C166 V167C166-S169 WeakPolarHBondContact O-CB 3.34Å; C166-S169 PolarHBondContact O-N 3.06Å; C166-S169 PolarHBondContact O-OG 2.8Å; V167-S169 PolarHBondContact O-N 2.91Å; V167-S169 VanDerWaalsContact O-N 3.13Å
170F94.8Very high75.6Confident32 Ų3257.1 Ų57.114%0.1437%0.369CS..Hα-helixtrans-84.9-17.6177.5-59-21.1000112.5I83 C123 T129 L131 L135 C166 V167 P168I83-F170 HydrophobicContact CD1-CB 3.72Å; C123-F170 HydrophobicContact CB-CD2 4.31Å; C123-F170 HydrophobicContact CB-CE2 3.86Å; T129-F170 HydrophobicContact CG2-CE2 3.66Å; T129-F170 HydrophobicContact CG2-CZ 3.81Å; L131-F170 HydrophobicContact CB-CD1 4.17Å; L131-F170 HydrophobicContact CB-CE1 3.9Å; L131-F170 HydrophobicContact CB-CZ 4.09Å; L131-F170 HydrophobicContact CD1-CB 4.32Å; L131-F170 HydrophobicContact CD1-CD1 4.32Å; L131-F170 HydrophobicContact CD1-CD2 4.14Å; L131-F170 HydrophobicContact CD1-CG 4.02Å; L131-F170 HydrophobicContact CD2-CD1 4.03Å; L131-F170 HydrophobicContact CD2-CG 4.41Å; L131-F170 HydrophobicContact CG-CD1 4.43Å; L135-F170 WeakPolarHBondContact CD1-O 3.1Å; C166-F170 HydrophobicContact CB-CE2 4.24Å; C166-F170 HydrophobicContact CB-CZ 3.96Å; V167-F170 PolarHBondContact O-N 3.32Å; P168-F170 VanDerWaalsContact C-N 3.33Å
171F90.7Very high73.1Confident6 Ų663.9 Ų63.93%0.02641%0.41CS..SBendtrans-75.7144.7168.3-68.3-67.5000110.5Q81 I83 L135 V167 S173 R188 F217 V219Q81-F171 HydrophobicContact CB-CD1 3.66Å; Q81-F171 HydrophobicContact CB-CE1 3.65Å; Q81-F171 HydrophobicContact CG-CD1 4.48Å; I83-F171 HydrophobicContact CD1-CD1 4.05Å; I83-F171 HydrophobicContact CD1-CD2 3.9Å; I83-F171 HydrophobicContact CD1-CE1 3.68Å; I83-F171 HydrophobicContact CD1-CE2 3.54Å; I83-F171 HydrophobicContact CD1-CG 4.16Å; I83-F171 HydrophobicContact CD1-CZ 3.41Å; I83-F171 VanDerWaalsContact CD1-CZ 3.41Å; I83-F171 HydrophobicContact CG1-CE1 3.96Å; I83-F171 HydrophobicContact CG1-CZ 3.97Å; L135-F171 HydrophobicContact CD1-CD1 4.26Å; V167-F171 HydrophobicContact CG1-CD2 4.27Å; V167-F171 HydrophobicContact CG1-CE2 3.61Å; V167-F171 HydrophobicContact CG1-CZ 4.45Å; V167-F171 WeakPolarHBondContact O-CD2 3.27Å; F171-S173 PolarHBondContact O-N 3.37Å; F171-R188 HydrophobicContact CD1-CB 4.46Å; F171-R188 HydrophobicContact CD1-CG 3.95Å; F171-R188 HydrophobicContact CE1-CB 3.81Å; F171-R188 HydrophobicContact CE1-CG 3.78Å; F171-R188 HydrophobicContact CE2-CB 4.3Å; F171-R188 HydrophobicContact CG-CG 4.43Å; F171-R188 HydrophobicContact CZ-CB 3.71Å; F171-R188 HydrophobicContact CZ-CG 4.09Å; F171-F217 HydrophobicContact CD2-CE1 4.01Å; F171-V219 HydrophobicContact CD2-CG2 4.29Å; F171-V219 HydrophobicContact CE2-CG1 4.29Å; F171-V219 HydrophobicContact CE2-CG2 3.53Å; F171-V219 HydrophobicContact CZ-CG1 4.33Å; F171-V219 HydrophobicContact CZ-CG2 4.09Å
172S76.5Confident70.8Confident63 Ų6365.1 Ų65.144%0.44142%0.424SS..PPolyproline II helixtrans-57.4132.9176.5-500000111
173S57Low68.7Low98 Ų9869.5 Ų69.569%0.68545%0.445SS*.PPolyproline II helixtrans-66.3151.9179-79.90000112.6F171 G175F171-S173 PolarHBondContact O-N 3.37Å; S173-G175 PolarHBondContact O-N 2.94Å
174P48.6Very low66.8Low82 Ų8274.1 Ų74.153%0.53247%0.47SS..THydrogen-bonded Turntrans-61.93.9-176.15.8-9.1000117.1F180P174-F180 HydrophobicContact CB-CD2 3.58Å; P174-F180 HydrophobicContact CB-CE2 3.35Å; P174-F180 HydrophobicContact CB-CZ 4.48Å; P174-F180 HydrophobicContact CG-CD2 3.79Å; P174-F180 HydrophobicContact CG-CE2 3.23Å; P174-F180 HydrophobicContact CG-CZ 3.95Å
175G42Very low65.3Low73 Ų7375.2 Ų75.275%0.75348%0.48SS*.THydrogen-bonded Turntrans-74.3-22.8-178.600000114.5S173 G177S173-G175 PolarHBondContact O-N 2.94Å; G175-G177 PolarHBondContact O-N 3.26Å
176D46.3Very low64.4Low161 Ų16170.6 Ų70.686%0.86146%0.463SS*.SBendtrans-85.362.1170.9-93.5-14.7000110.6G178D176-G178 VanDerWaalsContact C-N 3.34Å; D176-G178 PolarHBondContact O-N 3.3Å
177G40.4Very low63.7Low84 Ų8470.2 Ų70.287%0.86646%0.463SS*.SBendtrans61.915.7153.600000119.9G175G175-G177 PolarHBondContact O-N 3.26Å
178G39.9Very low63.4Low39 Ų3971.1 Ų71.140%0.40247%0.466SS..  trans-126120.6-179.900000113.1D176 F180D176-G178 VanDerWaalsContact C-N 3.34Å; D176-G178 PolarHBondContact O-N 3.3Å; G178-F180 PolarHBondContact O-N 2.76Å
179D37.9Very low63.3Low135 Ų13569.7 Ų69.772%0.72246%0.456SS*.  trans-53.1128.4167.6-80.7-34000110V181 G182 A185D179-V181 PolarHBondContact O-N 3.31Å; D179-G182 PolarHBondContact O-N 3.38Å; D179-A185 WeakPolarHBondContact O-CB 3.37Å
180F47.9Very low63.4Low73 Ų7365.4 Ų65.432%0.3243%0.427SS..THydrogen-bonded Turntrans-57-20.7174.7-99.7-119000113.2P174 G178 F217P174-F180 HydrophobicContact CB-CD2 3.58Å; P174-F180 HydrophobicContact CB-CE2 3.35Å; P174-F180 HydrophobicContact CB-CZ 4.48Å; P174-F180 HydrophobicContact CG-CD2 3.79Å; P174-F180 HydrophobicContact CG-CE2 3.23Å; P174-F180 HydrophobicContact CG-CZ 3.95Å; G178-F180 PolarHBondContact O-N 2.76Å; F180-F217 HydrophobicContact CE1-CE1 4.21Å; F180-F217 AromaticContact CE1-CE2 3.68Å; F180-F217 HydrophobicContact CE1-CE2 3.68Å; F180-F217 AromaticContact CE1-CZ 3.51Å; F180-F217 HydrophobicContact CE1-CZ 3.51Å; F180-F217 HydrophobicContact CZ-CE2 4.48Å; F180-F217 HydrophobicContact CZ-CZ 4.09Å
181V44.8Very low63.5Low144 Ų14464.2 Ų64.287%0.87342%0.422SS*.THydrogen-bonded Turntrans-127.455.7-178-167.10000108.1D179D179-V181 PolarHBondContact O-N 3.31Å
182G48.9Very low63.9Low31 Ų3163.9 Ų63.932%0.3242%0.42SS..SBendtrans-116.3151.9176.600000111.6D179 D184 A185D179-G182 PolarHBondContact O-N 3.38Å; G182-D184 PolarHBondContact O-N 3.22Å; G182-A185 WeakPolarHBondContact O-CB 3.38Å; G182-A185 PolarHBondContact O-N 3.43Å
183I53.1Low64.9Low141 Ų14160.9 Ų60.972%0.72340%0.399SS*.THydrogen-bonded Turntrans-55.7-20.7173.2-64.3171.3000112
184D57.3Low66.8Low98 Ų9856.2 Ų56.252%0.52437%0.367SS..THydrogen-bonded Turntrans-105.44.8179.8-68.8-46.1000114.3G182G182-D184 PolarHBondContact O-N 3.22Å
185A66.9Low68.9Low27 Ų2752.4 Ų52.422%0.22334%0.342CS..SBendtrans-65.4142.9177.600000111.3D179 G182 A187D179-A185 WeakPolarHBondContact O-CB 3.37Å; G182-A185 WeakPolarHBondContact O-CB 3.38Å; G182-A185 PolarHBondContact O-N 3.43Å; A185-A187 PolarHBondContact O-N 2.91Å
186P75.9Confident71.4Confident35 Ų3549 Ų4923%0.22731%0.306CS..PPolyproline II helixtrans-64.7136.2175.725.8-32.4000110.6S79 Q81S79-P186 CarbonylContact O-C 3.57Å; S79-P186 VanDerWaalsContact O-CA 3.25Å; S79-P186 WeakPolarHBondContact O-CA 3.38Å; S79-P186 WeakPolarHBondContact OG-CB 3.17Å; Q81-P186 HydrophobicContact CG-CB 3.96Å; Q81-P186 HydrophobicContact CG-CG 4.24Å
187A83.4Confident73.5Confident25 Ų2544.4 Ų44.421%0.20728%0.277CS..EExtended strand (participates in β ladder)trans-70.4135.516900000109.5S79 Y80 Q81 A185S79-A187 PolarHBondContact O-N 2.98Å; Y80-A187 CarbonylContact C-O 3.56Å; Y80-A187 VanDerWaalsContact CA-O 3.25Å; Y80-A187 WeakPolarHBondContact CA-O 3.21Å; Y80-A187 HydrophobicContact CD1-CB 3.6Å; Y80-A187 HydrophobicContact CE1-CB 3.72Å; Y80-A187 HydrophobicContact CG-CB 4.47Å; Q81-A187 PolarHBondContact N-O 3.29Å; A185-A187 PolarHBondContact O-N 2.91Å
188R89.2Confident75.7Confident19 Ų1942.4 Ų42.47%0.07226%0.256CS..EExtended strand (participates in β ladder)trans-111.3131.3-174.8-64.6-178.8-178.7129.2-0.2111.6Q81 F171 V219 F220Q81-R188 HydrophobicContact CB-CG 4.44Å; Q81-R188 WeakPolarHBondContact O-CA 3.2Å; F171-R188 HydrophobicContact CD1-CB 4.46Å; F171-R188 HydrophobicContact CD1-CG 3.95Å; F171-R188 HydrophobicContact CE1-CB 3.81Å; F171-R188 HydrophobicContact CE1-CG 3.78Å; F171-R188 HydrophobicContact CE2-CB 4.3Å; F171-R188 HydrophobicContact CG-CG 4.43Å; F171-R188 HydrophobicContact CZ-CB 3.71Å; F171-R188 HydrophobicContact CZ-CG 4.09Å; R188-V219 HydrophobicContact CB-CB 4.45Å; R188-V219 HydrophobicContact CB-CG2 3.88Å; R188-F220 PolarHBondContact O-N 2.6Å
189L92.7Very high78.2Confident8 Ų840.7 Ų40.74%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-131.2131.2-179.6172.454.5000110.5Q81 I82 I83 V191 F220 L222 L281Q81-L189 PolarHBondContact O-N 3.48Å; I82-L189 CarbonylContact C-O 3.55Å; I82-L189 WeakPolarHBondContact CA-O 3.45Å; I82-L189 HydrophobicContact CD1-CD2 4.35Å; I82-L189 HydrophobicContact CG1-CB 4.19Å; I82-L189 HydrophobicContact CG1-CD2 4.43Å; I82-L189 HydrophobicContact CG2-CB 4.38Å; I82-L189 HydrophobicContact CG2-CD2 4.21Å; I82-L189 HydrophobicContact CG2-CG 4.2Å; I83-L189 PolarHBondContact N-O 2.92Å; L189-V191 HydrophobicContact CD1-CG2 4.19Å; L189-V191 HydrophobicContact CD2-CG2 3.99Å; L189-V191 HydrophobicContact CG-CG2 3.88Å; L189-F220 CarbonylContact C-O 3.53Å; L189-F220 WeakPolarHBondContact CA-O 3.4Å; L189-F220 HydrophobicContact CD1-CB 4.22Å; L189-F220 HydrophobicContact CD1-CD1 3.38Å; L189-F220 HydrophobicContact CD1-CE1 4.11Å; L189-F220 HydrophobicContact CD1-CG 4.2Å; L189-F220 VanDerWaalsContact CD1-O 3.3Å; L189-F220 WeakPolarHBondContact CD1-O 3.24Å; L189-L222 HydrophobicContact CD1-CB 4.27Å; L189-L281 HydrophobicContact CD2-CD2 3.98Å
190L96.8Very high80.8Confident0 Ų036.5 Ų36.50%021%0.212CC..EExtended strand (participates in β ladder)trans-108.2117.3167.1175.164.1000108.9I83 A85 L164 V167 I192 L214 V219 F220 I221 L222I83-L190 HydrophobicContact CB-CD1 4.05Å; I83-L190 HydrophobicContact CG2-CD1 3.82Å; I83-L190 CarbonylContact O-C 3.44Å; I83-L190 WeakPolarHBondContact O-CA 3.28Å; A85-L190 HydrophobicContact CB-CD1 3.97Å; L164-L190 HydrophobicContact CD2-CD2 3.73Å; V167-L190 HydrophobicContact CG1-CD2 4.37Å; V167-L190 HydrophobicContact CG2-CD1 3.86Å; V167-L190 HydrophobicContact CG2-CD2 3.94Å; L190-I192 HydrophobicContact CD1-CG1 4.34Å; L190-I192 HydrophobicContact CD2-CD1 3.89Å; L190-I192 HydrophobicContact CD2-CG1 3.91Å; L190-I192 HydrophobicContact CG-CD1 4.34Å; L190-I192 HydrophobicContact CG-CG1 3.81Å; L190-L214 HydrophobicContact CD2-CD2 3.77Å; L190-V219 HydrophobicContact CB-CG1 3.82Å; L190-F220 PolarHBondContact N-O 3.3Å; L190-I221 HydrophobicContact CD2-CG2 4.18Å; L190-I221 HydrophobicContact CG-CG2 4.48Å; L190-I221 WeakPolarHBondContact O-CA 3.35Å; L190-L222 PolarHBondContact O-N 3.3Å
191V97.4Very high82.8Confident6 Ų636.1 Ų36.14%0.03622%0.222CC..EExtended strand (participates in β ladder)trans-102.6112.9170.7-1750000108.2I82 I83 I84 A85 I108 L189 V193 L222 I224I82-V191 HydrophobicContact CG2-CG2 4.32Å; I83-V191 PolarHBondContact O-N 3.49Å; I84-V191 CarbonylContact C-O 3.52Å; I84-V191 WeakPolarHBondContact CA-O 3.13Å; A85-V191 PolarHBondContact N-O 3.25Å; I108-V191 HydrophobicContact CD1-CG1 4.34Å; L189-V191 HydrophobicContact CD1-CG2 4.19Å; L189-V191 HydrophobicContact CD2-CG2 3.99Å; L189-V191 HydrophobicContact CG-CG2 3.88Å; V191-V193 HydrophobicContact CG1-CG2 4.31Å; V191-L222 CarbonylContact C-O 3.26Å; V191-L222 WeakPolarHBondContact CA-O 3.36Å; V191-I224 HydrophobicContact CG1-CD1 3.5Å; V191-I224 HydrophobicContact CG1-CG1 4.13Å
192I98.3Very high85Confident0 Ų034.2 Ų34.20%020%0.204CC..EExtended strand (participates in β ladder)trans-96127.8177.1-53.2179.1000108.1F125 V160 L163 L164 L190 I221 L222 F223 I224 F261F125-I192 HydrophobicContact CE1-CG2 3.78Å; F125-I192 HydrophobicContact CZ-CG2 3.56Å; V160-I192 HydrophobicContact CG1-CD1 4.49Å; L163-I192 HydrophobicContact CD2-CD1 3.97Å; L163-I192 HydrophobicContact CD2-CG1 4.1Å; L163-I192 HydrophobicContact CD2-CG2 4.31Å; L164-I192 HydrophobicContact CD2-CD1 4.08Å; L190-I192 HydrophobicContact CD1-CG1 4.34Å; L190-I192 HydrophobicContact CD2-CD1 3.89Å; L190-I192 HydrophobicContact CD2-CG1 3.91Å; L190-I192 HydrophobicContact CG-CD1 4.34Å; L190-I192 HydrophobicContact CG-CG1 3.81Å; I192-I221 HydrophobicContact CD1-CG2 3.85Å; I192-I221 HydrophobicContact CG1-CG2 4.33Å; I192-L222 PolarHBondContact N-O 2.94Å; I192-F223 HydrophobicContact CB-CD2 3.85Å; I192-F223 HydrophobicContact CB-CE2 4.14Å; I192-F223 HydrophobicContact CB-CG 4.24Å; I192-F223 HydrophobicContact CD1-CD2 3.92Å; I192-F223 HydrophobicContact CD1-CE2 4.26Å; I192-F223 HydrophobicContact CG1-CD2 4.43Å; I192-F223 HydrophobicContact CG2-CD2 3.86Å; I192-F223 HydrophobicContact CG2-CE2 3.59Å; I192-F223 HydrophobicContact CG2-CG 4.46Å; I192-F223 HydrophobicContact CG2-CZ 3.97Å; I192-I224 PolarHBondContact O-N 3.48Å; I192-F261 HydrophobicContact CD1-CE1 4.02Å; I192-F261 HydrophobicContact CD1-CZ 4.09Å
193V97.9Very high87Confident0 Ų034.2 Ų34.20%020%0.204CC..EExtended strand (participates in β ladder)trans-117.8110.3177.6-176.50000108.2I84 A85 I86 D87 A101 V191 I224 I226I84-V193 HydrophobicContact CG2-CG2 4.33Å; A85-V193 PolarHBondContact O-N 3.49Å; I86-V193 HydrophobicContact CD1-CB 3.72Å; I86-V193 HydrophobicContact CD1-CG1 4.28Å; I86-V193 HydrophobicContact CD1-CG2 3.84Å; D87-V193 WeakPolarHBondContact CB-O 3.35Å; D87-V193 PolarHBondContact N-O 3.45Å; A101-V193 HydrophobicContact CB-CG1 4.17Å; V191-V193 HydrophobicContact CG1-CG2 4.31Å; V193-I224 HydrophobicContact CG2-CB 4.44Å; V193-I224 HydrophobicContact CG2-CD1 4.28Å; V193-I226 HydrophobicContact CG1-CD1 3.41Å; V193-I226 VanDerWaalsContact CG1-CD1 3.41Å; V193-I226 HydrophobicContact CG1-CG1 4.15Å
194S96.5Very high88.9Confident0 Ų031.4 Ų31.40%019%0.188CC..EExtended strand (participates in β ladder)trans-155.1165.4-172.5171.70000109.9D87 G196 I224 I225 I226D87-S194 WeakPolarHBondContact OD2-CB 3.29Å; D87-S194 PolarHBondContact OD2-OG 3.09Å; S194-G196 PolarHBondContact O-N 3.28Å; S194-G196 PolarHBondContact OG-N 3.05Å; S194-I224 PolarHBondContact N-O 2.88Å; S194-I225 CarbonylContact O-C 3.57Å; S194-I225 WeakPolarHBondContact O-CA 3.41Å; S194-I226 PolarHBondContact O-N 3.48Å
195D94.4Very high90.6Very high2 Ų232.8 Ų32.81%0.01120%0.195CC..  trans-75.6-0167.571.6-9.7000113S91 M92 R197 K233S91-D195 WeakPolarHBondContact CB-OD2 3.42Å; S91-D195 PolarHBondContact OG-OD1 2.93Å; S91-D195 PolarHBondContact OG-OD2 2.85Å; S91-D195 VanDerWaalsContact OG-OD2 3.12Å; M92-D195 HydrophobicContact SD-CB 3.64Å; M92-D195 PolarHBondContact SD-N 3.24Å; D195-R197 PolarHBondContact O-N 2.83Å; D195-R197 WeakPolarHBondContact OD1-CB 3.44Å; D195-R197 PolarHBondContact OD1-N 2.7Å; D195-R197 WeakPolarHBondContact OD2-CD 3.46Å; D195-K233 VanDerWaalsContact OD2-CE 3.29Å; D195-K233 WeakPolarHBondContact OD2-CE 3.5Å; D195-K233 IonicContact OD2-NZ 2.78Å; D195-K233 PolarHBondContact OD2-NZ 2.77Å
196G93.4Very high91.9Very high0 Ų033 Ų330%020%0.197CC..  trans69.812.5176.200000113.5S194 Y255S194-G196 PolarHBondContact O-N 3.28Å; S194-G196 PolarHBondContact OG-N 3.05Å; G196-Y255 VanDerWaalsContact O-CE1 3.27Å; G196-Y255 WeakPolarHBondContact O-CE1 3.48Å; G196-Y255 PolarHBondContact O-OH 3.09Å
197R89.7Confident92.9Very high66 Ų6631.3 Ų31.325%0.24919%0.186CC..  trans-91.3144.9179.7-63.6-177175-106.5-0.7110.3D195 V199 S234 I236D195-R197 PolarHBondContact O-N 2.83Å; D195-R197 WeakPolarHBondContact OD1-CB 3.44Å; D195-R197 PolarHBondContact OD1-N 2.7Å; D195-R197 WeakPolarHBondContact OD2-CD 3.46Å; R197-V199 VanDerWaalsContact C-N 3.3Å; R197-V199 PolarHBondContact O-N 3.25Å; R197-S234 PolarHBondContact NH2-O 3.24Å; R197-I236 HydrophobicContact CG-CD1 4.32Å
198G88.3Confident93.5Very high42 Ų4235.4 Ų35.443%0.43320%0.199SC..SBendtrans72.415.517600000115.4Y200 A201G198-Y200 PolarHBondContact O-N 3.02Å; G198-A201 VanDerWaalsContact O-CB 3.31Å; G198-A201 WeakPolarHBondContact O-CB 3.33Å; G198-A201 PolarHBondContact O-N 2.79Å
199V92.4Very high93.8Very high3 Ų340 Ų402%0.01822%0.222CC..THydrogen-bonded Turntrans-56.7-26.3178.4-54.40000113V160 R197 F223 Y255 F259 P260V160-V199 HydrophobicContact CG2-CB 4.34Å; V160-V199 HydrophobicContact CG2-CG1 4.31Å; R197-V199 VanDerWaalsContact C-N 3.3Å; R197-V199 PolarHBondContact O-N 3.25Å; V199-F223 HydrophobicContact CG1-CE2 4.28Å; V199-F223 HydrophobicContact CG1-CZ 4.19Å; V199-Y255 HydrophobicContact CG2-CE2 4.41Å; V199-Y255 WeakPolarHBondContact CG2-OH 3.44Å; V199-F259 HydrophobicContact CG1-CE2 3.87Å; V199-F259 HydrophobicContact CG1-CZ 4.26Å; V199-F259 HydrophobicContact CG2-CE2 4.33Å; V199-P260 HydrophobicContact CB-CG 4.31Å; V199-P260 HydrophobicContact CG2-CG 3.69Å
200Y92.1Very high94.1Very high47 Ų4739.8 Ų39.818%0.18422%0.221CC..THydrogen-bonded Turntrans-95.419.5177.6-69.6-55.9000114.4G198 E202 G203 Q204 M207 Y255 I258 P260G198-Y200 PolarHBondContact O-N 3.02Å; Y200-E202 PolarHBondContact O-N 2.84Å; Y200-E202 VanDerWaalsContact O-N 3.14Å; Y200-G203 PolarHBondContact O-N 2.76Å; Y200-Q204 HydrophobicContact CD1-CB 4.18Å; Y200-Q204 HydrophobicContact CD1-CG 3.77Å; Y200-Q204 HydrophobicContact CE1-CB 4.04Å; Y200-Q204 HydrophobicContact CE1-CG 3.77Å; Y200-Q204 HydrophobicContact CG-CG 4.16Å; Y200-M207 HydrophobicContact CD1-CB 3.88Å; Y200-M207 HydrophobicContact CD1-CG 4.08Å; Y200-M207 HydrophobicContact CE1-CB 3.9Å; Y200-M207 HydrophobicContact CE1-CG 3.92Å; Y200-Y255 HydrophobicContact CD2-CE2 4.32Å; Y200-I258 HydrophobicContact CE2-CD1 4.18Å; Y200-I258 HydrophobicContact CE2-CG1 4.4Å; Y200-I258 WeakPolarHBondContact CE2-O 3.45Å; Y200-I258 PolarHBondContact OH-O 2.68Å; Y200-P260 HydrophobicContact CE1-CB 3.94Å; Y200-P260 HydrophobicContact CE1-CG 4.01Å; Y200-P260 HydrophobicContact CE2-CG 4.39Å; Y200-P260 WeakPolarHBondContact OH-CB 3.5Å
201A89.6Confident94.1Very high64 Ų6440.1 Ų40.153%0.52922%0.223SC..THydrogen-bonded Turntrans-53.6-34.6178.400000113G198G198-A201 VanDerWaalsContact O-CB 3.31Å; G198-A201 WeakPolarHBondContact O-CB 3.33Å; G198-A201 PolarHBondContact O-N 2.79Å
202E91.3Very high94Very high104 Ų10444.8 Ų44.849%0.48624%0.244SC..THydrogen-bonded Turntrans-92.43.3178.5-57-61.6134.500113.6N159 C161 Y200 A206N159-E202 PolarHBondContact ND2-OE1 2.85Å; C161-E202 HydrophobicContact CB-CB 4.23Å; C161-E202 HydrophobicContact CB-CG 3.95Å; Y200-E202 PolarHBondContact O-N 2.84Å; Y200-E202 VanDerWaalsContact O-N 3.14Å; E202-A206 HydrophobicContact CB-CB 4.32Å; E202-A206 WeakPolarHBondContact O-CB 3.39Å
203G91.5Very high93.8Very high31 Ų3148.9 Ų48.932%0.3226%0.263SS..  trans93.6157.5-177.200000114.6Y200 M207Y200-G203 PolarHBondContact O-N 2.76Å; G203-M207 WeakPolarHBondContact O-CB 3.23Å; G203-M207 PolarHBondContact O-N 2.85Å; G203-M207 VanDerWaalsContact O-N 3.15Å
204Q91.2Very high93.7Very high83 Ų8349 Ų4939%0.38826%0.264SS..Hα-helixtrans-66.7-40.1-174.5-64.6-170.46.900113.2Y200 M207 K208Y200-Q204 HydrophobicContact CD1-CB 4.18Å; Y200-Q204 HydrophobicContact CD1-CG 3.77Å; Y200-Q204 HydrophobicContact CE1-CB 4.04Å; Y200-Q204 HydrophobicContact CE1-CG 3.77Å; Y200-Q204 HydrophobicContact CG-CG 4.16Å; Q204-M207 PolarHBondContact O-N 3.49Å; Q204-K208 WeakPolarHBondContact O-CG 3.4Å; Q204-K208 PolarHBondContact O-N 3.16Å
205D93.3Very high93.4Very high126 Ų12652.7 Ų52.767%0.67428%0.283SS*.Hα-helixtrans-69.9-43.3-177.4-63.6-32.4000111.6M207 K208 Q209D205-M207 VanDerWaalsContact C-N 3.3Å; D205-M207 PolarHBondContact O-N 2.92Å; D205-K208 PolarHBondContact O-N 2.96Å; D205-Q209 WeakPolarHBondContact O-CB 3.46Å; D205-Q209 PolarHBondContact O-N 3.38Å
206A95.6Very high93.2Very high32 Ų3260.1 Ų60.126%0.26432%0.317SS..Hα-helixtrans-61.2-39.6174.500000111.8E202 S210E202-A206 HydrophobicContact CB-CB 4.32Å; E202-A206 WeakPolarHBondContact O-CB 3.39Å; A206-S210 WeakPolarHBondContact O-CB 3.38Å; A206-S210 PolarHBondContact O-N 3.34Å; A206-S210 PolarHBondContact O-OG 3.49Å
207M96.3Very high93Very high0 Ų063 Ų630%033%0.33CS..Hα-helixtrans-65.9-47.5176.4-170.569.6-107.500111.8V160 L164 Y200 G203 Q204 D205 Q209 S210 I211 P260 F261V160-M207 HydrophobicContact CB-CE 4.49Å; V160-M207 HydrophobicContact CB-SD 4.17Å; V160-M207 HydrophobicContact CG1-CE 4.01Å; V160-M207 HydrophobicContact CG1-SD 4.24Å; L164-M207 HydrophobicContact CD1-CE 3.31Å; L164-M207 HydrophobicContact CG-CE 4.13Å; Y200-M207 HydrophobicContact CD1-CB 3.88Å; Y200-M207 HydrophobicContact CD1-CG 4.08Å; Y200-M207 HydrophobicContact CE1-CB 3.9Å; Y200-M207 HydrophobicContact CE1-CG 3.92Å; G203-M207 WeakPolarHBondContact O-CB 3.23Å; G203-M207 PolarHBondContact O-N 2.85Å; G203-M207 VanDerWaalsContact O-N 3.15Å; Q204-M207 PolarHBondContact O-N 3.49Å; D205-M207 VanDerWaalsContact C-N 3.3Å; D205-M207 PolarHBondContact O-N 2.92Å; M207-Q209 VanDerWaalsContact C-N 3.34Å; M207-Q209 PolarHBondContact O-N 3.26Å; M207-S210 PolarHBondContact O-N 2.97Å; M207-I211 HydrophobicContact CE-CD1 3.79Å; M207-I211 HydrophobicContact CE-CG1 3.58Å; M207-I211 HydrophobicContact CG-CD1 4.32Å; M207-I211 WeakPolarHBondContact O-CG1 3.44Å; M207-I211 PolarHBondContact O-N 3.41Å; M207-P260 HydrophobicContact CG-CB 3.79Å; M207-P260 HydrophobicContact CG-CG 3.83Å; M207-F261 HydrophobicContact CE-CE1 4.39Å; M207-F261 HydrophobicContact CE-CE2 4.35Å; M207-F261 HydrophobicContact CE-CZ 3.7Å
208K95.5Very high92.9Very high110 Ų11062.3 Ų62.348%0.47834%0.343SS..Hα-helixtrans-58.8-46.6175.9-75.3173.2-176.1170.30110.9Q204 D205 I211 Q212Q204-K208 WeakPolarHBondContact O-CG 3.4Å; Q204-K208 PolarHBondContact O-N 3.16Å; D205-K208 PolarHBondContact O-N 2.96Å; K208-I211 PolarHBondContact O-N 2.93Å; K208-Q212 VanDerWaalsContact O-CG 3.27Å; K208-Q212 WeakPolarHBondContact O-CG 3.31Å; K208-Q212 PolarHBondContact O-N 3.36Å
209Q96.5Very high93Very high116 Ų11660.6 Ų60.654%0.54233%0.325SS..Hα-helixtrans-59-49.2177.3-178.5179.4-3.400111.4D205 M207 I211 Q212 E213D205-Q209 WeakPolarHBondContact O-CB 3.46Å; D205-Q209 PolarHBondContact O-N 3.38Å; M207-Q209 VanDerWaalsContact C-N 3.34Å; M207-Q209 PolarHBondContact O-N 3.26Å; Q209-I211 VanDerWaalsContact C-N 3.3Å; Q209-I211 PolarHBondContact O-N 3.14Å; Q209-Q212 PolarHBondContact O-N 2.75Å; Q209-Q212 VanDerWaalsContact O-N 3.14Å; Q209-E213 HydrophobicContact CG-CG 4.37Å; Q209-E213 VanDerWaalsContact CG-OE1 3.32Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.33Å; Q209-E213 PolarHBondContact NE2-OE1 3.08Å; Q209-E213 WeakPolarHBondContact O-CG 3.36Å; Q209-E213 PolarHBondContact O-N 2.82Å
210S97.4Very high92.9Very high4 Ų461.2 Ų61.23%0.02833%0.327CS..Hα-helixtrans-62.1-36.7-179-56.10000112.4A206 M207 L214A206-S210 WeakPolarHBondContact O-CB 3.38Å; A206-S210 PolarHBondContact O-N 3.34Å; A206-S210 PolarHBondContact O-OG 3.49Å; M207-S210 PolarHBondContact O-N 2.97Å; S210-L214 WeakPolarHBondContact O-CB 3.4Å; S210-L214 PolarHBondContact O-N 3.36Å
211I96.9Very high93Very high7 Ų759.4 Ų59.44%0.03632%0.321CS..Hα-helixtrans-66.5-46.9173.7-71.7172.5000110.9L164 M207 K208 Q209 E213 L214 I215 I221 P260 F261L164-I211 HydrophobicContact CD1-CB 4.41Å; L164-I211 HydrophobicContact CD1-CG1 3.59Å; M207-I211 HydrophobicContact CE-CD1 3.79Å; M207-I211 HydrophobicContact CE-CG1 3.58Å; M207-I211 HydrophobicContact CG-CD1 4.32Å; M207-I211 WeakPolarHBondContact O-CG1 3.44Å; M207-I211 PolarHBondContact O-N 3.41Å; K208-I211 PolarHBondContact O-N 2.93Å; Q209-I211 VanDerWaalsContact C-N 3.3Å; Q209-I211 PolarHBondContact O-N 3.14Å; I211-E213 PolarHBondContact O-N 2.88Å; I211-L214 PolarHBondContact O-N 2.98Å; I211-I215 HydrophobicContact CG2-CD1 3.58Å; I211-I215 HydrophobicContact CG2-CG1 4.26Å; I211-I215 VanDerWaalsContact O-CG1 3.31Å; I211-I215 WeakPolarHBondContact O-CG1 3.24Å; I211-I215 PolarHBondContact O-N 2.93Å; I211-I221 HydrophobicContact CG2-CD1 4.41Å; I211-P260 HydrophobicContact CD1-CB 3.72Å; I211-P260 HydrophobicContact CD1-CG 4.48Å; I211-P260 VanDerWaalsContact CD1-O 3.3Å; I211-P260 WeakPolarHBondContact CD1-O 3.28Å; I211-F261 HydrophobicContact CD1-CD1 3.92Å; I211-F261 HydrophobicContact CD1-CE1 3.78Å; I211-F261 HydrophobicContact CD1-CE2 4.49Å; I211-F261 HydrophobicContact CD1-CG 4.34Å; I211-F261 HydrophobicContact CD1-CZ 4.08Å; I211-F261 HydrophobicContact CG1-CD1 4.33Å; I211-F261 HydrophobicContact CG1-CE1 3.87Å; I211-F261 HydrophobicContact CG1-CZ 4.34Å
212Q95.5Very high93.3Very high103 Ų10356.4 Ų56.448%0.48130%0.296SS..Hα-helixtrans-62.9-42.7-179-70.5-61-36.500111.8K208 Q209 L214 I215 Q216K208-Q212 VanDerWaalsContact O-CG 3.27Å; K208-Q212 WeakPolarHBondContact O-CG 3.31Å; K208-Q212 PolarHBondContact O-N 3.36Å; Q209-Q212 PolarHBondContact O-N 2.75Å; Q209-Q212 VanDerWaalsContact O-N 3.14Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-L214 PolarHBondContact O-N 2.69Å; Q212-I215 PolarHBondContact O-N 3.13Å; Q212-Q216 WeakPolarHBondContact O-CB 3.5Å; Q212-Q216 VanDerWaalsContact O-CG 3.25Å; Q212-Q216 WeakPolarHBondContact O-CG 3.39Å; Q212-Q216 PolarHBondContact O-N 2.9Å
213E95.5Very high93.6Very high87 Ų8751.5 Ų51.541%0.40727%0.273SS..Hα-helixtrans-58.5-43.3175.4-73.5172.9-177.700111.4Q209 I211 Q216 F217Q209-E213 HydrophobicContact CG-CG 4.37Å; Q209-E213 VanDerWaalsContact CG-OE1 3.32Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.33Å; Q209-E213 PolarHBondContact NE2-OE1 3.08Å; Q209-E213 WeakPolarHBondContact O-CG 3.36Å; Q209-E213 PolarHBondContact O-N 2.82Å; I211-E213 PolarHBondContact O-N 2.88Å; E213-Q216 PolarHBondContact O-N 3.05Å; E213-F217 PolarHBondContact O-N 2.97Å
214L94.6Very high94Very high3 Ų350 Ų502%0.01626%0.257CS..Hα-helixtrans-72.6-35.2-179.7-171.258.5000113L164 V167 P168 L190 S210 I211 Q212 F217 G218 V219 I221L164-L214 HydrophobicContact CB-CD2 4.22Å; L164-L214 HydrophobicContact CD2-CD2 3.73Å; L164-L214 HydrophobicContact CG-CD2 4.36Å; V167-L214 HydrophobicContact CB-CD1 4.39Å; V167-L214 HydrophobicContact CG1-CD1 3.85Å; V167-L214 HydrophobicContact CG1-CD2 4.22Å; P168-L214 HydrophobicContact CG-CD1 3.97Å; L190-L214 HydrophobicContact CD2-CD2 3.77Å; S210-L214 WeakPolarHBondContact O-CB 3.4Å; S210-L214 PolarHBondContact O-N 3.36Å; I211-L214 PolarHBondContact O-N 2.98Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-L214 PolarHBondContact O-N 2.69Å; L214-F217 WeakPolarHBondContact O-CB 3.14Å; L214-F217 PolarHBondContact O-N 3.12Å; L214-G218 PolarHBondContact O-N 3.26Å; L214-V219 HydrophobicContact CD1-CB 3.81Å; L214-V219 HydrophobicContact CD1-CG1 4.18Å; L214-V219 HydrophobicContact CD1-CG2 3.73Å; L214-V219 HydrophobicContact CD2-CG1 4.31Å; L214-V219 HydrophobicContact CG-CB 3.86Å; L214-V219 HydrophobicContact CG-CG1 4.11Å; L214-V219 HydrophobicContact CG-CG2 4.35Å; L214-V219 PolarHBondContact O-N 2.9Å; L214-I221 HydrophobicContact CB-CD1 4.3Å; L214-I221 HydrophobicContact CD2-CD1 3.72Å; L214-I221 HydrophobicContact CD2-CG1 3.97Å; L214-I221 HydrophobicContact CG-CD1 4.16Å; L214-I221 HydrophobicContact CG-CG1 4.45Å
215I91Very high94.2Very high77 Ų7746 Ų4640%0.39524%0.239SC..Hα-helixtrans-65.2-42.5172.2-69.5171.1000110.5I211 Q212 F217 G218I211-I215 HydrophobicContact CG2-CD1 3.58Å; I211-I215 HydrophobicContact CG2-CG1 4.26Å; I211-I215 VanDerWaalsContact O-CG1 3.31Å; I211-I215 WeakPolarHBondContact O-CG1 3.24Å; I211-I215 PolarHBondContact O-N 2.93Å; Q212-I215 PolarHBondContact O-N 3.13Å; I215-F217 PolarHBondContact O-N 2.89Å; I215-G218 WeakPolarHBondContact O-CA 3.19Å; I215-G218 PolarHBondContact O-N 3.32Å
216Q89.3Confident94.4Very high157 Ų15740.1 Ų40.173%0.73421%0.207SC*.Hα-helixtrans-63.2-29.6174.8-72.6174.123.500112.3Q212 E213 G218Q212-Q216 WeakPolarHBondContact O-CB 3.5Å; Q212-Q216 VanDerWaalsContact O-CG 3.25Å; Q212-Q216 WeakPolarHBondContact O-CG 3.39Å; Q212-Q216 PolarHBondContact O-N 2.9Å; E213-Q216 PolarHBondContact O-N 3.05Å; Q216-G218 PolarHBondContact O-N 2.89Å
217F89.4Confident94.3Very high60 Ų6039 Ų3926%0.26320%0.196SC..THydrogen-bonded Turntrans-72-2.2170.8-164.6-104.5000113.6P168 F171 F180 E213 L214 I215 V219P168-F217 HydrophobicContact CB-CD1 4.07Å; P168-F217 HydrophobicContact CB-CD2 4.38Å; P168-F217 HydrophobicContact CB-CE1 3.78Å; P168-F217 HydrophobicContact CB-CE2 4.08Å; P168-F217 HydrophobicContact CB-CG 4.37Å; P168-F217 HydrophobicContact CB-CZ 3.76Å; P168-F217 HydrophobicContact CG-CD1 4.24Å; P168-F217 HydrophobicContact CG-CE1 4.43Å; P168-F217 HydrophobicContact CG-CG 4.41Å; F171-F217 HydrophobicContact CD2-CE1 4.01Å; F180-F217 HydrophobicContact CE1-CE1 4.21Å; F180-F217 AromaticContact CE1-CE2 3.68Å; F180-F217 HydrophobicContact CE1-CE2 3.68Å; F180-F217 AromaticContact CE1-CZ 3.51Å; F180-F217 HydrophobicContact CE1-CZ 3.51Å; F180-F217 HydrophobicContact CZ-CE2 4.48Å; F180-F217 HydrophobicContact CZ-CZ 4.09Å; E213-F217 PolarHBondContact O-N 2.97Å; L214-F217 WeakPolarHBondContact O-CB 3.14Å; L214-F217 PolarHBondContact O-N 3.12Å; I215-F217 PolarHBondContact O-N 2.89Å; F217-V219 HydrophobicContact CD1-CG2 3.75Å
218G87.1Confident94Very high52 Ų5240 Ų4054%0.53620%0.201SC..THydrogen-bonded Turntrans81.526.9175.700000114.1L214 I215 Q216L214-G218 PolarHBondContact O-N 3.26Å; I215-G218 WeakPolarHBondContact O-CA 3.19Å; I215-G218 PolarHBondContact O-N 3.32Å; Q216-G218 PolarHBondContact O-N 2.89Å
219V91.3Very high93.4Very high6 Ų640.2 Ų40.24%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-103.4125-179177.90000110.2F171 R188 L190 L214 F217F171-V219 HydrophobicContact CD2-CG2 4.29Å; F171-V219 HydrophobicContact CE2-CG1 4.29Å; F171-V219 HydrophobicContact CE2-CG2 3.53Å; F171-V219 HydrophobicContact CZ-CG1 4.33Å; F171-V219 HydrophobicContact CZ-CG2 4.09Å; R188-V219 HydrophobicContact CB-CB 4.45Å; R188-V219 HydrophobicContact CB-CG2 3.88Å; L190-V219 HydrophobicContact CB-CG1 3.82Å; L214-V219 HydrophobicContact CD1-CB 3.81Å; L214-V219 HydrophobicContact CD1-CG1 4.18Å; L214-V219 HydrophobicContact CD1-CG2 3.73Å; L214-V219 HydrophobicContact CD2-CG1 4.31Å; L214-V219 HydrophobicContact CG-CB 3.86Å; L214-V219 HydrophobicContact CG-CG1 4.11Å; L214-V219 HydrophobicContact CG-CG2 4.35Å; L214-V219 PolarHBondContact O-N 2.9Å; F217-V219 HydrophobicContact CD1-CG2 3.75Å
220F90.7Very high92.6Very high17 Ų1736 Ų368%0.07519%0.188CC..EExtended strand (participates in β ladder)trans-78.9132.4168.5-177.7-117.2000109.9R188 L189 L190 L222 F263 L281 W284R188-F220 PolarHBondContact O-N 2.6Å; L189-F220 CarbonylContact C-O 3.53Å; L189-F220 WeakPolarHBondContact CA-O 3.4Å; L189-F220 HydrophobicContact CD1-CB 4.22Å; L189-F220 HydrophobicContact CD1-CD1 3.38Å; L189-F220 HydrophobicContact CD1-CE1 4.11Å; L189-F220 HydrophobicContact CD1-CG 4.2Å; L189-F220 VanDerWaalsContact CD1-O 3.3Å; L189-F220 WeakPolarHBondContact CD1-O 3.24Å; L190-F220 PolarHBondContact N-O 3.3Å; F220-L222 HydrophobicContact CE1-CB 4.25Å; F220-F263 HydrophobicContact CD2-CD2 4.3Å; F220-F263 HydrophobicContact CD2-CE2 4.4Å; F220-F263 HydrophobicContact CE2-CB 4.27Å; F220-F263 HydrophobicContact CE2-CD1 4.09Å; F220-F263 AromaticContact CE2-CD2 3.27Å; F220-F263 HydrophobicContact CE2-CD2 3.27Å; F220-F263 HydrophobicContact CE2-CE1 4.24Å; F220-F263 AromaticContact CE2-CE2 3.49Å; F220-F263 HydrophobicContact CE2-CE2 3.49Å; F220-F263 VanDerWaalsContact CE2-CE2 3.49Å; F220-F263 AromaticContact CE2-CG 3.61Å; F220-F263 HydrophobicContact CE2-CG 3.61Å; F220-F263 AromaticContact CE2-CZ 3.95Å; F220-F263 HydrophobicContact CE2-CZ 3.95Å; F220-F263 HydrophobicContact CZ-CB 3.83Å; F220-F263 AromaticContact CZ-CD1 3.91Å; F220-F263 HydrophobicContact CZ-CD1 3.91Å; F220-F263 AromaticContact CZ-CD2 3.72Å; F220-F263 HydrophobicContact CZ-CD2 3.72Å; F220-F263 HydrophobicContact CZ-CE1 4.4Å; F220-F263 HydrophobicContact CZ-CE2 4.27Å; F220-F263 AromaticContact CZ-CG 3.53Å; F220-F263 HydrophobicContact CZ-CG 3.53Å; F220-L281 HydrophobicContact CD1-CD2 4.2Å; F220-L281 HydrophobicContact CE1-CD2 3.86Å; F220-W284 HydrophobicContact CB-CZ2 4.2Å; F220-W284 HydrophobicContact CD1-CB 4.37Å; F220-W284 AromaticContact CD1-CD2 3.85Å; F220-W284 HydrophobicContact CD1-CD2 3.85Å; F220-W284 HydrophobicContact CD1-CE3 4.38Å; F220-W284 AromaticContact CD1-CG 3.81Å; F220-W284 HydrophobicContact CD1-CG 3.81Å; F220-W284 HydrophobicContact CD2-CB 4.39Å; F220-W284 AromaticContact CD2-CD1 3.06Å; F220-W284 HydrophobicContact CD2-CD2 4.25Å; F220-W284 AromaticContact CD2-CG 3.67Å; F220-W284 HydrophobicContact CD2-CG 3.67Å; F220-W284 AromaticContact CD2-NE1 3.29Å; F220-W284 VanDerWaalsContact CD2-NE1 3.29Å; F220-W284 HydrophobicContact CE1-CB 3.82Å; F220-W284 HydrophobicContact CE1-CD2 4.19Å; F220-W284 AromaticContact CE1-CG 3.76Å; F220-W284 HydrophobicContact CE1-CG 3.76Å; F220-W284 HydrophobicContact CE2-CB 3.73Å; F220-W284 AromaticContact CE2-CD1 3.14Å; F220-W284 HydrophobicContact CE2-CD2 4.45Å; F220-W284 AromaticContact CE2-CG 3.5Å; F220-W284 HydrophobicContact CE2-CG 3.5Å; F220-W284 VanDerWaalsContact CE2-CG 3.5Å; F220-W284 AromaticContact CE2-NE1 3.89Å; F220-W284 AromaticContact CG-CD1 3.55Å; F220-W284 AromaticContact CG-CD2 3.95Å; F220-W284 HydrophobicContact CG-CD2 3.95Å; F220-W284 AromaticContact CG-CE2 3.75Å; F220-W284 AromaticContact CG-CG 3.83Å; F220-W284 HydrophobicContact CG-CG 3.83Å; F220-W284 HydrophobicContact CG-CZ2 4.48Å; F220-W284 AromaticContact CG-NE1 3.44Å; F220-W284 HydrophobicContact CZ-CB 3.47Å; F220-W284 VanDerWaalsContact CZ-CB 3.47Å; F220-W284 AromaticContact CZ-CD1 3.77Å; F220-W284 HydrophobicContact CZ-CD2 4.48Å; F220-W284 AromaticContact CZ-CG 3.61Å; F220-W284 HydrophobicContact CZ-CG 3.61Å
221I94.8Very high91.7Very high9 Ų942.4 Ų42.45%0.04623%0.229CC..EExtended strand (participates in β ladder)trans-114.2120.1-177.6-48.8167.1000108.8L190 I192 I211 L214 F261L190-I221 HydrophobicContact CD2-CG2 4.18Å; L190-I221 HydrophobicContact CG-CG2 4.48Å; L190-I221 WeakPolarHBondContact O-CA 3.35Å; I192-I221 HydrophobicContact CD1-CG2 3.85Å; I192-I221 HydrophobicContact CG1-CG2 4.33Å; I211-I221 HydrophobicContact CG2-CD1 4.41Å; L214-I221 HydrophobicContact CB-CD1 4.3Å; L214-I221 HydrophobicContact CD2-CD1 3.72Å; L214-I221 HydrophobicContact CD2-CG1 3.97Å; L214-I221 HydrophobicContact CG-CD1 4.16Å; L214-I221 HydrophobicContact CG-CG1 4.45Å; I221-F261 HydrophobicContact CB-CD1 4.41Å; I221-F261 HydrophobicContact CD1-CE1 4.4Å; I221-F261 HydrophobicContact CG2-CD1 3.68Å; I221-F261 HydrophobicContact CG2-CE1 3.77Å
222L95.8Very high90.8Very high1 Ų146.6 Ų46.61%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-112.3120.8171.6177.462.7000109.2L189 L190 V191 I192 F220 I224 F263 I265 V277 A280L189-L222 HydrophobicContact CD1-CB 4.27Å; L190-L222 PolarHBondContact O-N 3.3Å; V191-L222 CarbonylContact C-O 3.26Å; V191-L222 WeakPolarHBondContact CA-O 3.36Å; I192-L222 PolarHBondContact N-O 2.94Å; F220-L222 HydrophobicContact CE1-CB 4.25Å; L222-I224 HydrophobicContact CG-CG1 4.48Å; L222-F263 HydrophobicContact CD1-CB 4.35Å; L222-I265 HydrophobicContact CD1-CD1 3.86Å; L222-I265 HydrophobicContact CD1-CG1 4.13Å; L222-I265 HydrophobicContact CD2-CD1 4.17Å; L222-I265 HydrophobicContact CG-CD1 4.4Å; L222-V277 HydrophobicContact CD2-CG1 4.46Å; L222-A280 HydrophobicContact CD1-CB 3.95Å
223F97.7Very high90.1Very high0 Ų043.2 Ų43.20%026%0.258CS..EExtended strand (participates in β ladder)trans-102.3115.9177.9-158-66000111.1I192 V199 I225 F259 F261 F263 Y264 I265I192-F223 HydrophobicContact CB-CD2 3.85Å; I192-F223 HydrophobicContact CB-CE2 4.14Å; I192-F223 HydrophobicContact CB-CG 4.24Å; I192-F223 HydrophobicContact CD1-CD2 3.92Å; I192-F223 HydrophobicContact CD1-CE2 4.26Å; I192-F223 HydrophobicContact CG1-CD2 4.43Å; I192-F223 HydrophobicContact CG2-CD2 3.86Å; I192-F223 HydrophobicContact CG2-CE2 3.59Å; I192-F223 HydrophobicContact CG2-CG 4.46Å; I192-F223 HydrophobicContact CG2-CZ 3.97Å; V199-F223 HydrophobicContact CG1-CE2 4.28Å; V199-F223 HydrophobicContact CG1-CZ 4.19Å; F223-I225 HydrophobicContact CD1-CG1 3.57Å; F223-I225 HydrophobicContact CE1-CG1 3.8Å; F223-F259 HydrophobicContact CB-CE1 4.16Å; F223-F259 HydrophobicContact CD1-CE1 4.14Å; F223-F259 AromaticContact CD1-CZ 3.76Å; F223-F259 HydrophobicContact CD1-CZ 3.76Å; F223-F259 HydrophobicContact CD2-CE1 4.33Å; F223-F259 HydrophobicContact CD2-CZ 4.06Å; F223-F259 AromaticContact CE1-CZ 3.88Å; F223-F259 HydrophobicContact CE1-CZ 3.88Å; F223-F259 HydrophobicContact CE2-CZ 4.16Å; F223-F259 AromaticContact CG-CE1 3.95Å; F223-F259 HydrophobicContact CG-CE1 3.95Å; F223-F259 AromaticContact CG-CZ 3.86Å; F223-F259 HydrophobicContact CG-CZ 3.86Å; F223-F259 HydrophobicContact CZ-CZ 4.07Å; F223-F261 HydrophobicContact CB-CB 4.11Å; F223-F261 HydrophobicContact CB-CD2 4.32Å; F223-F261 HydrophobicContact CB-CG 4.12Å; F223-F261 HydrophobicContact CD2-CD1 4.33Å; F223-F261 AromaticContact CD2-CD2 3.38Å; F223-F261 HydrophobicContact CD2-CD2 3.38Å; F223-F261 HydrophobicContact CD2-CE1 4.36Å; F223-F261 AromaticContact CD2-CE2 3.42Å; F223-F261 HydrophobicContact CD2-CE2 3.42Å; F223-F261 VanDerWaalsContact CD2-CE2 3.42Å; F223-F261 AromaticContact CD2-CG 3.87Å; F223-F261 HydrophobicContact CD2-CG 3.87Å; F223-F261 AromaticContact CD2-CZ 3.94Å; F223-F261 HydrophobicContact CD2-CZ 3.94Å; F223-F261 AromaticContact CE2-CD2 3.96Å; F223-F261 HydrophobicContact CE2-CD2 3.96Å; F223-F261 AromaticContact CE2-CE2 3.61Å; F223-F261 HydrophobicContact CE2-CE2 3.61Å; F223-F261 HydrophobicContact CE2-CZ 4.21Å; F223-F261 HydrophobicContact CG-CD2 4.09Å; F223-F261 HydrophobicContact CG-CG 4.37Å; F223-F263 PolarHBondContact N-O 2.68Å; F223-Y264 CarbonylContact O-C 3.6Å; F223-Y264 WeakPolarHBondContact O-CA 3.36Å; F223-Y264 WeakPolarHBondContact O-CB 2.82Å; F223-I265 PolarHBondContact O-N 3.34Å
224I97.8Very high89.7Confident0 Ų041.7 Ų41.70%026%0.256CS..EExtended strand (participates in β ladder)trans-96.8107.4174-58.3173000108.2I108 V191 I192 V193 S194 L222 L267 L273 V277I108-I224 HydrophobicContact CD1-CD1 3.85Å; V191-I224 HydrophobicContact CG1-CD1 3.5Å; V191-I224 HydrophobicContact CG1-CG1 4.13Å; I192-I224 PolarHBondContact O-N 3.48Å; V193-I224 HydrophobicContact CG2-CB 4.44Å; V193-I224 HydrophobicContact CG2-CD1 4.28Å; S194-I224 PolarHBondContact N-O 2.88Å; L222-I224 HydrophobicContact CG-CG1 4.48Å; I224-L267 HydrophobicContact CG2-CB 4.01Å; I224-L267 HydrophobicContact CG2-CD2 4.07Å; I224-L273 HydrophobicContact CD1-CD1 4.1Å; I224-L273 HydrophobicContact CG2-CD1 4.4Å; I224-V277 HydrophobicContact CD1-CG2 4.28Å
225I97.2Very high89.6Confident0 Ų041.7 Ų41.70%026%0.257CS..EExtended strand (participates in β ladder)trans-85110.5175.3-55.7179.2000108.7S194 F223 D227 I236 L256 F259 Y264 I265 I266 L267S194-I225 CarbonylContact O-C 3.57Å; S194-I225 WeakPolarHBondContact O-CA 3.41Å; F223-I225 HydrophobicContact CD1-CG1 3.57Å; F223-I225 HydrophobicContact CE1-CG1 3.8Å; I225-D227 PolarHBondContact O-N 2.96Å; I225-I236 HydrophobicContact CG2-CB 4.33Å; I225-I236 HydrophobicContact CG2-CG1 4.11Å; I225-I236 HydrophobicContact CG2-CG2 4.17Å; I225-L256 HydrophobicContact CD1-CD2 4.14Å; I225-F259 HydrophobicContact CD1-CD1 4.43Å; I225-F259 HydrophobicContact CD1-CD2 4.46Å; I225-F259 HydrophobicContact CD1-CE1 3.95Å; I225-F259 HydrophobicContact CD1-CE2 3.99Å; I225-F259 HydrophobicContact CD1-CZ 3.72Å; I225-F259 HydrophobicContact CG1-CE1 4.47Å; I225-F259 HydrophobicContact CG1-CZ 4.11Å; I225-Y264 HydrophobicContact CD1-CD2 3.7Å; I225-Y264 HydrophobicContact CD1-CE2 4.37Å; I225-Y264 HydrophobicContact CD1-CG 4.31Å; I225-I265 WeakPolarHBondContact CB-O 3.25Å; I225-I265 PolarHBondContact N-O 3.21Å; I225-I266 HydrophobicContact CB-CG1 4.37Å; I225-I266 HydrophobicContact CD1-CG1 4.27Å; I225-L267 PolarHBondContact O-N 3.28Å
226I96.3Very high89.6Confident2 Ų238 Ų381%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-79.7101.4172.2-65175.9000108.4M92 A97 I100 A101 V193 S194 Q228M92-I226 HydrophobicContact CE-CD1 3.94Å; A97-I226 HydrophobicContact CB-CG2 4.14Å; I100-I226 HydrophobicContact CB-CD1 4.28Å; I100-I226 HydrophobicContact CB-CG2 4.14Å; I100-I226 HydrophobicContact CD1-CG2 4.41Å; I100-I226 HydrophobicContact CG2-CD1 3.85Å; I100-I226 HydrophobicContact CG2-CG1 3.95Å; I100-I226 HydrophobicContact CG2-CG2 4.04Å; A101-I226 HydrophobicContact CB-CD1 3.71Å; V193-I226 HydrophobicContact CG1-CD1 3.41Å; V193-I226 VanDerWaalsContact CG1-CD1 3.41Å; V193-I226 HydrophobicContact CG1-CG1 4.15Å; S194-I226 PolarHBondContact O-N 3.48Å; I226-Q228 HydrophobicContact CG2-CG 3.87Å
227D94.7Very high89.8Confident7 Ų735.6 Ų35.64%0.03723%0.225CC..  trans-97.596.9-178.6-175.237.3000110I225 S235 I236 I266 L267 K268I225-D227 PolarHBondContact O-N 2.96Å; D227-S235 VanDerWaalsContact OD1-CA 3.28Å; D227-S235 WeakPolarHBondContact OD1-CA 3.29Å; D227-S235 PolarHBondContact OD1-OG 2.9Å; D227-S235 PolarHBondContact OD2-OG 2.68Å; D227-I236 HydrophobicContact CB-CG2 4.01Å; D227-I236 PolarHBondContact OD1-N 3.19Å; D227-I266 HydrophobicContact CB-CG2 3.6Å; D227-L267 PolarHBondContact N-O 2.6Å; D227-K268 HydrophobicContact CB-CG 4.31Å; D227-K268 WeakPolarHBondContact OD2-CE 3.16Å; D227-K268 IonicContact OD2-NZ 2.67Å
228Q89Confident89.9Confident21 Ų2137.6 Ų37.610%0.09824%0.239CC..  trans-117120.2174.7-62-58.7-67.100109.7R96 A97 I100 I226 K268R96-Q228 HydrophobicContact CB-CG 4.09Å; A97-Q228 HydrophobicContact CB-CG 4.45Å; I100-Q228 HydrophobicContact CD1-CG 3.95Å; I226-Q228 HydrophobicContact CG2-CG 3.87Å; Q228-K268 PolarHBondContact NE2-O 3.03Å
229E83.1Confident90.1Very high116 Ų11636.5 Ų36.554%0.54222%0.221SC..  trans-76125.4168.2-71.7171.3-137.400109.2K268E229-K268 IonicContact OE1-NZ 3.31Å
230S80.3Confident90.1Very high28 Ų2843.6 Ų43.620%0.19625%0.252CS..BIsolated β-bridgetrans-140.9163.8174.369.40000110.3D94 G232 K233D94-S230 WeakPolarHBondContact OD2-CB 3.3Å; D94-S230 PolarHBondContact OD2-OG 2.79Å; S230-G232 PolarHBondContact O-N 2.96Å; S230-K233 PolarHBondContact N-O 3.45Å; S230-K233 CarbonylContact O-C 3.57Å; S230-K233 PolarHBondContact O-N 3.34Å; S230-K233 VanDerWaalsContact O-O 3.04Å
231P77.8Confident90Very high138 Ų13844.2 Ų44.290%0.89626%0.257SS*.THydrogen-bonded Turntrans-54.6116.2179.6-25.935.2000111.3
232G78.1Confident89.7Confident95 Ų9548 Ų4898%0.97928%0.282SS*.THydrogen-bonded Turntrans88.8-4.1-176.900000115.6S230S230-G232 PolarHBondContact O-N 2.96Å
233K81.1Confident89.3Confident32 Ų3249.1 Ų49.114%0.13929%0.289CS..BIsolated β-bridgetrans-123.3105176-165.3177.3-173.51760110.1S91 D195 S230S91-K233 PolarHBondContact O-NZ 2.67Å; D195-K233 VanDerWaalsContact OD2-CE 3.29Å; D195-K233 WeakPolarHBondContact OD2-CE 3.5Å; D195-K233 IonicContact OD2-NZ 2.78Å; D195-K233 PolarHBondContact OD2-NZ 2.77Å; S230-K233 PolarHBondContact N-O 3.45Å; S230-K233 CarbonylContact O-C 3.57Å; S230-K233 PolarHBondContact O-N 3.34Å; S230-K233 VanDerWaalsContact O-O 3.04Å
234S86.6Confident88.7Confident54 Ų5456.8 Ų56.838%0.37832%0.323SS..  trans-66.5167174.769.10000111.6R197R197-S234 PolarHBondContact NH2-O 3.24Å
235S92Very high87.9Confident3 Ų361.8 Ų61.82%0.02134%0.344CS..  trans-61.2150.8167.1175.70000110.4D227 F237 D238D227-S235 VanDerWaalsContact OD1-CA 3.28Å; D227-S235 WeakPolarHBondContact OD1-CA 3.29Å; D227-S235 PolarHBondContact OD1-OG 2.9Å; D227-S235 PolarHBondContact OD2-OG 2.68Å; S235-F237 PolarHBondContact O-N 3.14Å; S235-F237 WeakPolarHBondContact OG-CD2 3.38Å; S235-F237 PolarHBondContact OG-N 3.39Å; S235-D238 PolarHBondContact O-N 3.47Å
236I92.1Very high87.3Confident1 Ų170.4 Ų70.41%0.00539%0.39CS..G310 helixtrans-57.7-27.8171.8-162.661.3000112.1R197 I225 D227 D238 V239 Y255 L256 I266R197-I236 HydrophobicContact CG-CD1 4.32Å; I225-I236 HydrophobicContact CG2-CB 4.33Å; I225-I236 HydrophobicContact CG2-CG1 4.11Å; I225-I236 HydrophobicContact CG2-CG2 4.17Å; D227-I236 HydrophobicContact CB-CG2 4.01Å; D227-I236 PolarHBondContact OD1-N 3.19Å; I236-D238 VanDerWaalsContact C-N 3.25Å; I236-D238 PolarHBondContact O-N 2.94Å; I236-V239 HydrophobicContact CD1-CG2 4.05Å; I236-V239 PolarHBondContact O-N 2.95Å; I236-Y255 HydrophobicContact CD1-CD1 3.58Å; I236-Y255 HydrophobicContact CD1-CE1 3.65Å; I236-Y255 HydrophobicContact CG1-CD1 4.1Å; I236-Y255 HydrophobicContact CG1-CE1 4.33Å; I236-L256 HydrophobicContact CG1-CD2 4.02Å; I236-L256 HydrophobicContact CG2-CD1 4.47Å; I236-L256 HydrophobicContact CG2-CD2 4.49Å; I236-I266 HydrophobicContact CG2-CD1 4.17Å; I236-I266 HydrophobicContact CG2-CG1 4.46Å; I236-I266 HydrophobicContact CG2-CG2 4.08Å
237F92.9Very high86.8Confident105 Ų10575.1 Ų75.146%0.46142%0.416SS..G310 helixtrans-65.2-27.1175.6-72.1-76.4000113.3S235 L256 I266S235-F237 PolarHBondContact O-N 3.14Å; S235-F237 WeakPolarHBondContact OG-CD2 3.38Å; S235-F237 PolarHBondContact OG-N 3.39Å; F237-L256 HydrophobicContact CD1-CD1 3.48Å; F237-L256 VanDerWaalsContact CD1-CD1 3.48Å; F237-L256 HydrophobicContact CE1-CD1 3.73Å; F237-L256 HydrophobicContact CG-CD1 4.15Å; F237-I266 HydrophobicContact CD1-CD1 4.44Å; F237-I266 HydrophobicContact CE1-CD1 3.64Å; F237-I266 HydrophobicContact CE2-CB 4.5Å; F237-I266 HydrophobicContact CE2-CD1 3.88Å; F237-I266 HydrophobicContact CE2-CG2 3.8Å; F237-I266 HydrophobicContact CZ-CB 4.38Å; F237-I266 HydrophobicContact CZ-CD1 3.32Å; F237-I266 HydrophobicContact CZ-CG1 4.43Å; F237-I266 HydrophobicContact CZ-CG2 4.17Å
238D92.4Very high86.4Confident103 Ų10377.6 Ų77.655%0.55144%0.442SS*.G310 helixtrans-91.1-6.2-178.9-58.6-45.1000112.7S235 I236 K240S235-D238 PolarHBondContact O-N 3.47Å; I236-D238 VanDerWaalsContact C-N 3.25Å; I236-D238 PolarHBondContact O-N 2.94Å; D238-K240 PolarHBondContact O-N 3.28Å
239V91Very high86.3Confident29 Ų2985.1 Ų85.118%0.17647%0.47CS..  trans-72.5119.4-178.9-176.60000108.9I236 Y255I236-V239 HydrophobicContact CD1-CG2 4.05Å; I236-V239 PolarHBondContact O-N 2.95Å; V239-Y255 HydrophobicContact CB-CD1 4.46Å; V239-Y255 HydrophobicContact CB-CG 4.38Å; V239-Y255 HydrophobicContact CG1-CD1 4.38Å; V239-Y255 HydrophobicContact CG1-CG 4.03Å; V239-Y255 WeakPolarHBondContact O-CB 3.14Å; V239-Y255 PolarHBondContact O-N 3.04Å
240K91.2Very high86.5Confident154 Ų15484.5 Ų84.567%0.6747%0.47SS*.EExtended strand (participates in β ladder)trans-111.2141.8175.6-65.4-172.9-179.7-173.90110.2D238 I252 V253D238-K240 PolarHBondContact O-N 3.28Å; K240-I252 HydrophobicContact CB-CG2 3.62Å; K240-I252 HydrophobicContact CD-CG2 3.84Å; K240-I252 HydrophobicContact CG-CG2 4.23Å; K240-V253 WeakPolarHBondContact CA-O 3.21Å
241V88.9Confident87Confident30 Ų3086 Ų8618%0.18248%0.476CS..EExtended strand (participates in β ladder)trans-125.9133.5-177.2-72.80000110.8T243 V253 Y255 I258V241-T243 PolarHBondContact O-N 2.9Å; V241-V253 HydrophobicContact CG2-CG2 3.89Å; V241-V253 PolarHBondContact N-O 2.84Å; V241-V253 PolarHBondContact O-N 3.05Å; V241-Y255 HydrophobicContact CG1-CD2 3.75Å; V241-Y255 HydrophobicContact CG1-CG 4.4Å; V241-Y255 HydrophobicContact CG2-CD2 4.42Å; V241-I258 HydrophobicContact CB-CD1 4.43Å; V241-I258 HydrophobicContact CG2-CD1 3.45Å; V241-I258 VanDerWaalsContact CG2-CD1 3.45Å; V241-I258 HydrophobicContact CG2-CG1 3.88Å
242P89Confident87.7Confident88 Ų8884.5 Ų84.557%0.57146%0.459SS*.EExtended strand (participates in β ladder)trans-68.9129.5171.827-30.3000109.5L250P242-L250 HydrophobicContact CB-CD1 3.67Å
243T85.8Confident88.4Confident25 Ų2581.2 Ų81.215%0.15342%0.42CS..EExtended strand (participates in β ladder)trans-125.2142.3174.155.30000109.5V241 D251 V253 I258V241-T243 PolarHBondContact O-N 2.9Å; T243-D251 PolarHBondContact N-O 3.03Å; T243-D251 PolarHBondContact O-N 3.3Å; T243-D251 PolarHBondContact OG1-O 2.95Å; T243-V253 HydrophobicContact CG2-CG2 3.52Å; T243-I258 HydrophobicContact CG2-CD1 4.11Å
244F85.4Confident88.9Confident162 Ų16281.2 Ų81.271%0.71142%0.424SS*.EExtended strand (participates in β ladder)trans-99.1121.5176.2-67.8-86.7000108.8L250F244-L250 HydrophobicContact CD1-CD1 4.3Å; F244-L250 HydrophobicContact CE1-CD1 3.9Å; F244-L250 HydrophobicContact CE2-CD1 4.29Å; F244-L250 HydrophobicContact CZ-CD1 3.9Å
245K82.2Confident89.2Confident105 Ų10579.2 Ų79.246%0.45741%0.408SS..  trans-76.2162.3171-70.6-177.2177.8169.60110.5N247 G248 R249 D251K245-N247 VanDerWaalsContact CB-OD1 3.28Å; K245-N247 WeakPolarHBondContact CB-OD1 3.22Å; K245-N247 PolarHBondContact O-N 3.04Å; K245-G248 WeakPolarHBondContact O-CA 3.42Å; K245-G248 PolarHBondContact O-N 3.12Å; K245-R249 PolarHBondContact N-O 3.3Å; K245-D251 HydrophobicContact CD-CB 4.45Å; K245-D251 WeakPolarHBondContact CE-OD2 3.43Å; K245-D251 IonicContact NZ-OD2 3.09Å; K245-D251 PolarHBondContact NZ-OD2 3.36Å
246D82.8Confident89.3Confident181 Ų18180 Ų8097%0.96841%0.412SS*.THydrogen-bonded Turntrans-56.5-25.5178.7-57.5-30.4000113.7G248D246-G248 PolarHBondContact O-N 3.33Å
247N86.6Confident89.3Confident101 Ų10187 Ų8754%0.5445%0.445SS..THydrogen-bonded Turntrans-82.98.6175.666.15.3000114K245 R249K245-N247 VanDerWaalsContact CB-OD1 3.28Å; K245-N247 WeakPolarHBondContact CB-OD1 3.22Å; K245-N247 PolarHBondContact O-N 3.04Å; N247-R249 PolarHBondContact O-N 3.05Å; N247-R249 VanDerWaalsContact OD1-CB 3.24Å; N247-R249 WeakPolarHBondContact OD1-CB 3.34Å; N247-R249 WeakPolarHBondContact OD1-CG 3.33Å; N247-R249 PolarHBondContact OD1-N 3.27Å
248G85.6Confident89.3Confident58 Ų5884 Ų8460%0.59843%0.433SS*.SBendtrans74.41.5-178.100000114.8K245 D246K245-G248 WeakPolarHBondContact O-CA 3.42Å; K245-G248 PolarHBondContact O-N 3.12Å; D246-G248 PolarHBondContact O-N 3.33Å
249R87.4Confident89.5Confident179 Ų17980 Ų8068%0.67541%0.411SS*.  trans-75.6132.1177.2-65.8-174.4178.1-175.7-1110.4K245 N247K245-R249 PolarHBondContact N-O 3.3Å; N247-R249 PolarHBondContact O-N 3.05Å; N247-R249 VanDerWaalsContact OD1-CB 3.24Å; N247-R249 WeakPolarHBondContact OD1-CB 3.34Å; N247-R249 WeakPolarHBondContact OD1-CG 3.33Å; N247-R249 PolarHBondContact OD1-N 3.27Å
250L88.3Confident89.6Confident104 Ų10479.7 Ų79.755%0.54541%0.409SS..EExtended strand (participates in β ladder)trans-71.1124.8167.9-172.672.2000109P242 F244P242-L250 HydrophobicContact CB-CD1 3.67Å; F244-L250 HydrophobicContact CD1-CD1 4.3Å; F244-L250 HydrophobicContact CE1-CD1 3.9Å; F244-L250 HydrophobicContact CE2-CD1 4.29Å; F244-L250 HydrophobicContact CZ-CD1 3.9Å
251D90.9Very high89.8Confident59 Ų5972.5 Ų72.532%0.31638%0.378SS..EExtended strand (participates in β ladder)trans-119.3149169.5-157.23.1000109.8T243 K245T243-D251 PolarHBondContact N-O 3.03Å; T243-D251 PolarHBondContact O-N 3.3Å; T243-D251 PolarHBondContact OG1-O 2.95Å; K245-D251 HydrophobicContact CD-CB 4.45Å; K245-D251 WeakPolarHBondContact CE-OD2 3.43Å; K245-D251 IonicContact NZ-OD2 3.09Å; K245-D251 PolarHBondContact NZ-OD2 3.36Å
252I90.9Very high89.9Confident107 Ų10775.3 Ų75.355%0.54940%0.397SS..EExtended strand (participates in β ladder)trans-112.8105.9178.7-60.5177.6000107.1K240K240-I252 HydrophobicContact CB-CG2 3.62Å; K240-I252 HydrophobicContact CD-CG2 3.84Å; K240-I252 HydrophobicContact CG-CG2 4.23Å
253V92.7Very high90Very high25 Ų2572.8 Ų72.815%0.15238%0.377CS..EExtended strand (participates in β ladder)trans-106.9160.6-177.9-62.80000110.6K240 V241 T243 I258K240-V253 WeakPolarHBondContact CA-O 3.21Å; V241-V253 HydrophobicContact CG2-CG2 3.89Å; V241-V253 PolarHBondContact N-O 2.84Å; V241-V253 PolarHBondContact O-N 3.05Å; T243-V253 HydrophobicContact CG2-CG2 3.52Å; V253-I258 HydrophobicContact CG2-CG2 3.98Å
254S93Very high90.5Very high32 Ų3275.6 Ų75.622%0.22439%0.385CS..EExtended strand (participates in β ladder)trans-63.8135.1170.1177.60000109.7L256 E257S254-L256 PolarHBondContact O-N 2.97Å; S254-E257 WeakPolarHBondContact CB-OE1 3.3Å; S254-E257 WeakPolarHBondContact O-CB 3.28Å; S254-E257 PolarHBondContact O-N 3.17Å; S254-E257 VanDerWaalsContact O-N 3.09Å
255Y93.3Very high90.9Very high13 Ų1368.5 Ų68.55%0.05136%0.355CS..G310 helixtrans-58-36.4178.2174.4-115.7000112.7G196 V199 Y200 I236 V239 V241 E257 I258 F259G196-Y255 VanDerWaalsContact O-CE1 3.27Å; G196-Y255 WeakPolarHBondContact O-CE1 3.48Å; G196-Y255 PolarHBondContact O-OH 3.09Å; V199-Y255 HydrophobicContact CG2-CE2 4.41Å; V199-Y255 WeakPolarHBondContact CG2-OH 3.44Å; Y200-Y255 HydrophobicContact CD2-CE2 4.32Å; I236-Y255 HydrophobicContact CD1-CD1 3.58Å; I236-Y255 HydrophobicContact CD1-CE1 3.65Å; I236-Y255 HydrophobicContact CG1-CD1 4.1Å; I236-Y255 HydrophobicContact CG1-CE1 4.33Å; V239-Y255 HydrophobicContact CB-CD1 4.46Å; V239-Y255 HydrophobicContact CB-CG 4.38Å; V239-Y255 HydrophobicContact CG1-CD1 4.38Å; V239-Y255 HydrophobicContact CG1-CG 4.03Å; V239-Y255 WeakPolarHBondContact O-CB 3.14Å; V239-Y255 PolarHBondContact O-N 3.04Å; V241-Y255 HydrophobicContact CG1-CD2 3.75Å; V241-Y255 HydrophobicContact CG1-CG 4.4Å; V241-Y255 HydrophobicContact CG2-CD2 4.42Å; Y255-E257 VanDerWaalsContact C-N 3.28Å; Y255-E257 PolarHBondContact O-N 2.76Å; Y255-I258 CarbonylContact O-C 3.57Å; Y255-I258 WeakPolarHBondContact O-CG1 3.42Å; Y255-I258 PolarHBondContact O-N 2.8Å; Y255-F259 AromaticContact CE1-CD2 3.76Å; Y255-F259 HydrophobicContact CE1-CD2 3.76Å; Y255-F259 HydrophobicContact CE1-CE2 4.03Å; Y255-F259 AromaticContact CZ-CD2 3.87Å; Y255-F259 PolarHBondContact O-N 3.39Å
256L94.1Very high91.6Very high20 Ų2065.5 Ų65.511%0.10534%0.343CS..G310 helixtrans-67.7-26.2179.1-66.6175.1000112.9I225 I236 F237 S254 I258 F259 Y264 I266I225-L256 HydrophobicContact CD1-CD2 4.14Å; I236-L256 HydrophobicContact CG1-CD2 4.02Å; I236-L256 HydrophobicContact CG2-CD1 4.47Å; I236-L256 HydrophobicContact CG2-CD2 4.49Å; F237-L256 HydrophobicContact CD1-CD1 3.48Å; F237-L256 VanDerWaalsContact CD1-CD1 3.48Å; F237-L256 HydrophobicContact CE1-CD1 3.73Å; F237-L256 HydrophobicContact CG-CD1 4.15Å; S254-L256 PolarHBondContact O-N 2.97Å; L256-I258 PolarHBondContact O-N 3.2Å; L256-F259 PolarHBondContact O-N 2.74Å; L256-Y264 HydrophobicContact CD2-CE2 4.07Å; L256-I266 HydrophobicContact CD1-CD1 3.6Å; L256-I266 HydrophobicContact CD2-CD1 4.05Å; L256-I266 HydrophobicContact CG-CD1 4.5Å
257E92.1Very high92.2Very high147 Ų14757 Ų5769%0.68730%0.298SS*.G310 helixtrans-66.8-28.3176.3-73.1169.1-15000112.3S254 Y255S254-E257 WeakPolarHBondContact CB-OE1 3.3Å; S254-E257 WeakPolarHBondContact O-CB 3.28Å; S254-E257 PolarHBondContact O-N 3.17Å; S254-E257 VanDerWaalsContact O-N 3.09Å; Y255-E257 VanDerWaalsContact C-N 3.28Å; Y255-E257 PolarHBondContact O-N 2.76Å
258I92.1Very high92.6Very high43 Ų4356.4 Ų56.422%0.22129%0.29CS..G310 helixtrans-108.916.4178.869.3160.3000112.1Y200 V241 T243 V253 Y255 L256Y200-I258 HydrophobicContact CE2-CD1 4.18Å; Y200-I258 HydrophobicContact CE2-CG1 4.4Å; Y200-I258 WeakPolarHBondContact CE2-O 3.45Å; Y200-I258 PolarHBondContact OH-O 2.68Å; V241-I258 HydrophobicContact CB-CD1 4.43Å; V241-I258 HydrophobicContact CG2-CD1 3.45Å; V241-I258 VanDerWaalsContact CG2-CD1 3.45Å; V241-I258 HydrophobicContact CG2-CG1 3.88Å; T243-I258 HydrophobicContact CG2-CD1 4.11Å; V253-I258 HydrophobicContact CG2-CG2 3.98Å; Y255-I258 CarbonylContact O-C 3.57Å; Y255-I258 WeakPolarHBondContact O-CG1 3.42Å; Y255-I258 PolarHBondContact O-N 2.8Å; L256-I258 PolarHBondContact O-N 3.2Å
259F95.5Very high93Very high19 Ų1960.9 Ų60.98%0.08329%0.289CS..  trans-64.9130.5-178.9-165.1-107.9000110.3V199 F223 I225 Y255 L256 F261 Y264V199-F259 HydrophobicContact CG1-CE2 3.87Å; V199-F259 HydrophobicContact CG1-CZ 4.26Å; V199-F259 HydrophobicContact CG2-CE2 4.33Å; F223-F259 HydrophobicContact CB-CE1 4.16Å; F223-F259 HydrophobicContact CD1-CE1 4.14Å; F223-F259 AromaticContact CD1-CZ 3.76Å; F223-F259 HydrophobicContact CD1-CZ 3.76Å; F223-F259 HydrophobicContact CD2-CE1 4.33Å; F223-F259 HydrophobicContact CD2-CZ 4.06Å; F223-F259 AromaticContact CE1-CZ 3.88Å; F223-F259 HydrophobicContact CE1-CZ 3.88Å; F223-F259 HydrophobicContact CE2-CZ 4.16Å; F223-F259 AromaticContact CG-CE1 3.95Å; F223-F259 HydrophobicContact CG-CE1 3.95Å; F223-F259 AromaticContact CG-CZ 3.86Å; F223-F259 HydrophobicContact CG-CZ 3.86Å; F223-F259 HydrophobicContact CZ-CZ 4.07Å; I225-F259 HydrophobicContact CD1-CD1 4.43Å; I225-F259 HydrophobicContact CD1-CD2 4.46Å; I225-F259 HydrophobicContact CD1-CE1 3.95Å; I225-F259 HydrophobicContact CD1-CE2 3.99Å; I225-F259 HydrophobicContact CD1-CZ 3.72Å; I225-F259 HydrophobicContact CG1-CE1 4.47Å; I225-F259 HydrophobicContact CG1-CZ 4.11Å; Y255-F259 AromaticContact CE1-CD2 3.76Å; Y255-F259 HydrophobicContact CE1-CD2 3.76Å; Y255-F259 HydrophobicContact CE1-CE2 4.03Å; Y255-F259 AromaticContact CZ-CD2 3.87Å; Y255-F259 PolarHBondContact O-N 3.39Å; L256-F259 PolarHBondContact O-N 2.74Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 HydrophobicContact CD1-CB 4.09Å; F259-F261 HydrophobicContact CD1-CD2 4.29Å; F259-F261 HydrophobicContact CE1-CB 3.82Å; F259-F261 AromaticContact CE1-CD2 3.62Å; F259-F261 HydrophobicContact CE1-CD2 3.62Å; F259-F261 HydrophobicContact CE1-CG 4.18Å; F259-F261 AromaticContact CZ-CD2 3.89Å; F259-F261 HydrophobicContact CZ-CD2 3.89Å; F259-F261 PolarHBondContact O-N 2.54Å; F259-Y264 AromaticContact CD1-CD1 3.71Å; F259-Y264 HydrophobicContact CD1-CD1 3.71Å; F259-Y264 HydrophobicContact CD1-CD2 4.47Å; F259-Y264 HydrophobicContact CD1-CE1 4.28Å; F259-Y264 AromaticContact CD1-CG 3.81Å; F259-Y264 HydrophobicContact CD1-CG 3.81Å; F259-Y264 HydrophobicContact CE1-CD1 4.33Å; F259-Y264 HydrophobicContact CE1-CG 4.02Å
260P94.8Very high93.4Very high22 Ų2253.2 Ų53.214%0.14326%0.261CS..SBendtrans-74.8-18.1-165.526-32.5000114.2V199 Y200 M207 I211V199-P260 HydrophobicContact CB-CG 4.31Å; V199-P260 HydrophobicContact CG2-CG 3.69Å; Y200-P260 HydrophobicContact CE1-CB 3.94Å; Y200-P260 HydrophobicContact CE1-CG 4.01Å; Y200-P260 HydrophobicContact CE2-CG 4.39Å; Y200-P260 WeakPolarHBondContact OH-CB 3.5Å; M207-P260 HydrophobicContact CG-CB 3.79Å; M207-P260 HydrophobicContact CG-CG 3.83Å; I211-P260 HydrophobicContact CD1-CB 3.72Å; I211-P260 HydrophobicContact CD1-CG 4.48Å; I211-P260 VanDerWaalsContact CD1-O 3.3Å; I211-P260 WeakPolarHBondContact CD1-O 3.28Å
261F95Very high93.8Very high2 Ų251 Ų511%0.00926%0.255CS..  trans-93.6123.4-177.4-62.6-84.6000110.5V160 L164 I192 M207 I211 I221 F223 F259 F263 Y264V160-F261 HydrophobicContact CG1-CE2 4.2Å; V160-F261 HydrophobicContact CG1-CZ 3.69Å; L164-F261 HydrophobicContact CD1-CE1 4.29Å; L164-F261 HydrophobicContact CD1-CZ 4.44Å; I192-F261 HydrophobicContact CD1-CE1 4.02Å; I192-F261 HydrophobicContact CD1-CZ 4.09Å; M207-F261 HydrophobicContact CE-CE1 4.39Å; M207-F261 HydrophobicContact CE-CE2 4.35Å; M207-F261 HydrophobicContact CE-CZ 3.7Å; I211-F261 HydrophobicContact CD1-CD1 3.92Å; I211-F261 HydrophobicContact CD1-CE1 3.78Å; I211-F261 HydrophobicContact CD1-CE2 4.49Å; I211-F261 HydrophobicContact CD1-CG 4.34Å; I211-F261 HydrophobicContact CD1-CZ 4.08Å; I211-F261 HydrophobicContact CG1-CD1 4.33Å; I211-F261 HydrophobicContact CG1-CE1 3.87Å; I211-F261 HydrophobicContact CG1-CZ 4.34Å; I221-F261 HydrophobicContact CB-CD1 4.41Å; I221-F261 HydrophobicContact CD1-CE1 4.4Å; I221-F261 HydrophobicContact CG2-CD1 3.68Å; I221-F261 HydrophobicContact CG2-CE1 3.77Å; F223-F261 HydrophobicContact CB-CB 4.11Å; F223-F261 HydrophobicContact CB-CD2 4.32Å; F223-F261 HydrophobicContact CB-CG 4.12Å; F223-F261 HydrophobicContact CD2-CD1 4.33Å; F223-F261 AromaticContact CD2-CD2 3.38Å; F223-F261 HydrophobicContact CD2-CD2 3.38Å; F223-F261 HydrophobicContact CD2-CE1 4.36Å; F223-F261 AromaticContact CD2-CE2 3.42Å; F223-F261 HydrophobicContact CD2-CE2 3.42Å; F223-F261 VanDerWaalsContact CD2-CE2 3.42Å; F223-F261 AromaticContact CD2-CG 3.87Å; F223-F261 HydrophobicContact CD2-CG 3.87Å; F223-F261 AromaticContact CD2-CZ 3.94Å; F223-F261 HydrophobicContact CD2-CZ 3.94Å; F223-F261 AromaticContact CE2-CD2 3.96Å; F223-F261 HydrophobicContact CE2-CD2 3.96Å; F223-F261 AromaticContact CE2-CE2 3.61Å; F223-F261 HydrophobicContact CE2-CE2 3.61Å; F223-F261 HydrophobicContact CE2-CZ 4.21Å; F223-F261 HydrophobicContact CG-CD2 4.09Å; F223-F261 HydrophobicContact CG-CG 4.37Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 HydrophobicContact CD1-CB 4.09Å; F259-F261 HydrophobicContact CD1-CD2 4.29Å; F259-F261 HydrophobicContact CE1-CB 3.82Å; F259-F261 AromaticContact CE1-CD2 3.62Å; F259-F261 HydrophobicContact CE1-CD2 3.62Å; F259-F261 HydrophobicContact CE1-CG 4.18Å; F259-F261 AromaticContact CZ-CD2 3.89Å; F259-F261 HydrophobicContact CZ-CD2 3.89Å; F259-F261 PolarHBondContact O-N 2.54Å; F261-F263 VanDerWaalsContact C-N 3.29Å; F261-F263 PolarHBondContact O-N 3.22Å; F261-Y264 WeakPolarHBondContact O-CD1 3.46Å
262P89.7Confident94.1Very high89 Ų8950.9 Ų50.958%0.57825%0.254SS*.SBendtrans-68.9-27.4-179.423.9-31000113.2
263F92.2Very high94.4Very high35 Ų3545.8 Ų45.815%0.15423%0.228CC..SBendtrans-113.799.4177.8-54.7-85.8000109.2F220 L222 F223 F261 Q283 M287F220-F263 HydrophobicContact CD2-CD2 4.3Å; F220-F263 HydrophobicContact CD2-CE2 4.4Å; F220-F263 HydrophobicContact CE2-CB 4.27Å; F220-F263 HydrophobicContact CE2-CD1 4.09Å; F220-F263 AromaticContact CE2-CD2 3.27Å; F220-F263 HydrophobicContact CE2-CD2 3.27Å; F220-F263 HydrophobicContact CE2-CE1 4.24Å; F220-F263 AromaticContact CE2-CE2 3.49Å; F220-F263 HydrophobicContact CE2-CE2 3.49Å; F220-F263 VanDerWaalsContact CE2-CE2 3.49Å; F220-F263 AromaticContact CE2-CG 3.61Å; F220-F263 HydrophobicContact CE2-CG 3.61Å; F220-F263 AromaticContact CE2-CZ 3.95Å; F220-F263 HydrophobicContact CE2-CZ 3.95Å; F220-F263 HydrophobicContact CZ-CB 3.83Å; F220-F263 AromaticContact CZ-CD1 3.91Å; F220-F263 HydrophobicContact CZ-CD1 3.91Å; F220-F263 AromaticContact CZ-CD2 3.72Å; F220-F263 HydrophobicContact CZ-CD2 3.72Å; F220-F263 HydrophobicContact CZ-CE1 4.4Å; F220-F263 HydrophobicContact CZ-CE2 4.27Å; F220-F263 AromaticContact CZ-CG 3.53Å; F220-F263 HydrophobicContact CZ-CG 3.53Å; L222-F263 HydrophobicContact CD1-CB 4.35Å; F223-F263 PolarHBondContact N-O 2.68Å; F261-F263 VanDerWaalsContact C-N 3.29Å; F261-F263 PolarHBondContact O-N 3.22Å; F263-Q283 HydrophobicContact CE1-CG 4.49Å; F263-M287 HydrophobicContact CE1-CE 4.03Å; F263-M287 HydrophobicContact CE1-SD 3.75Å; F263-M287 HydrophobicContact CZ-CE 4.27Å; F263-M287 HydrophobicContact CZ-SD 3.48Å; F263-M287 WeakPolarHBondContact CZ-SD 3.05Å
264Y95.1Very high94.6Very high85 Ų8544.6 Ų44.633%0.33322%0.221SC..EExtended strand (participates in β ladder)trans-132.1152.5173.671.4-86.6000111.5F223 I225 L256 F259 F261 I266F223-Y264 CarbonylContact O-C 3.6Å; F223-Y264 WeakPolarHBondContact O-CA 3.36Å; F223-Y264 WeakPolarHBondContact O-CB 2.82Å; I225-Y264 HydrophobicContact CD1-CD2 3.7Å; I225-Y264 HydrophobicContact CD1-CE2 4.37Å; I225-Y264 HydrophobicContact CD1-CG 4.31Å; L256-Y264 HydrophobicContact CD2-CE2 4.07Å; F259-Y264 AromaticContact CD1-CD1 3.71Å; F259-Y264 HydrophobicContact CD1-CD1 3.71Å; F259-Y264 HydrophobicContact CD1-CD2 4.47Å; F259-Y264 HydrophobicContact CD1-CE1 4.28Å; F259-Y264 AromaticContact CD1-CG 3.81Å; F259-Y264 HydrophobicContact CD1-CG 3.81Å; F259-Y264 HydrophobicContact CE1-CD1 4.33Å; F259-Y264 HydrophobicContact CE1-CG 4.02Å; F261-Y264 WeakPolarHBondContact O-CD1 3.46Å; Y264-I266 HydrophobicContact CD2-CG1 4.12Å; Y264-I266 HydrophobicContact CE2-CD1 4Å; Y264-I266 HydrophobicContact CE2-CG1 4.04Å
265I95.4Very high94.7Very high12 Ų1243.8 Ų43.86%0.06222%0.217CC..EExtended strand (participates in β ladder)trans-121.4137.2177.1-68.4167.5000107.1L222 F223 I225 V276 V277 A280L222-I265 HydrophobicContact CD1-CD1 3.86Å; L222-I265 HydrophobicContact CD1-CG1 4.13Å; L222-I265 HydrophobicContact CD2-CD1 4.17Å; L222-I265 HydrophobicContact CG-CD1 4.4Å; F223-I265 PolarHBondContact O-N 3.34Å; I225-I265 WeakPolarHBondContact CB-O 3.25Å; I225-I265 PolarHBondContact N-O 3.21Å; I265-V276 HydrophobicContact CD1-CB 4.28Å; I265-V276 HydrophobicContact CD1-CG2 4.17Å; I265-V276 WeakPolarHBondContact CD1-O 3.24Å; I265-V276 HydrophobicContact CG1-CB 4.43Å; I265-V276 HydrophobicContact CG2-CB 3.76Å; I265-V276 HydrophobicContact CG2-CG1 4.49Å; I265-V276 HydrophobicContact CG2-CG2 3.41Å; I265-V276 VanDerWaalsContact CG2-CG2 3.41Å; I265-V277 HydrophobicContact CD1-CB 4.42Å; I265-V277 HydrophobicContact CD1-CG2 3.84Å; I265-A280 HydrophobicContact CD1-CB 3.78Å; I265-A280 HydrophobicContact CG1-CB 4.08Å
266I95.7Very high94.7Very high42 Ų4245.3 Ų45.322%0.21523%0.228CC..EExtended strand (participates in β ladder)trans-100.7113.3169.1-59.1171.1000108.2I225 D227 I236 F237 L256 Y264I225-I266 HydrophobicContact CB-CG1 4.37Å; I225-I266 HydrophobicContact CD1-CG1 4.27Å; D227-I266 HydrophobicContact CB-CG2 3.6Å; I236-I266 HydrophobicContact CG2-CD1 4.17Å; I236-I266 HydrophobicContact CG2-CG1 4.46Å; I236-I266 HydrophobicContact CG2-CG2 4.08Å; F237-I266 HydrophobicContact CD1-CD1 4.44Å; F237-I266 HydrophobicContact CE1-CD1 3.64Å; F237-I266 HydrophobicContact CE2-CB 4.5Å; F237-I266 HydrophobicContact CE2-CD1 3.88Å; F237-I266 HydrophobicContact CE2-CG2 3.8Å; F237-I266 HydrophobicContact CZ-CB 4.38Å; F237-I266 HydrophobicContact CZ-CD1 3.32Å; F237-I266 HydrophobicContact CZ-CG1 4.43Å; F237-I266 HydrophobicContact CZ-CG2 4.17Å; L256-I266 HydrophobicContact CD1-CD1 3.6Å; L256-I266 HydrophobicContact CD2-CD1 4.05Å; L256-I266 HydrophobicContact CG-CD1 4.5Å; Y264-I266 HydrophobicContact CD2-CG1 4.12Å; Y264-I266 HydrophobicContact CE2-CD1 4Å; Y264-I266 HydrophobicContact CE2-CG1 4.04Å
267L96.4Very high94.7Very high2 Ų244.7 Ų44.71%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-106.7108.5-175.7-172.374000110.4I100 I224 I225 D227 R269 L273 V276I100-L267 HydrophobicContact CG2-CD2 3.62Å; I100-L267 HydrophobicContact CG2-CG 4.48Å; I224-L267 HydrophobicContact CG2-CB 4.01Å; I224-L267 HydrophobicContact CG2-CD2 4.07Å; I225-L267 PolarHBondContact O-N 3.28Å; D227-L267 PolarHBondContact N-O 2.6Å; L267-R269 WeakPolarHBondContact CD1-O 3.33Å; L267-L273 HydrophobicContact CD1-CB 3.85Å; L267-L273 HydrophobicContact CD1-CD1 3.83Å; L267-L273 HydrophobicContact CD1-CG 4.47Å; L267-L273 HydrophobicContact CD2-CD1 3.8Å; L267-L273 HydrophobicContact CG-CD1 4.4Å; L267-V276 HydrophobicContact CD1-CG2 4.39Å
268K94.1Very high94.6Very high90 Ų9037.8 Ų37.839%0.39119%0.194SC..SBendtrans-92.2-31.3172.4-64.5-164.7176.5-152.90113.1D227 Q228 E229D227-K268 HydrophobicContact CB-CG 4.31Å; D227-K268 WeakPolarHBondContact OD2-CE 3.16Å; D227-K268 IonicContact OD2-NZ 2.67Å; Q228-K268 PolarHBondContact NE2-O 3.03Å; E229-K268 IonicContact OE1-NZ 3.31Å
269R94.9Very high94.4Very high151 Ų15140.9 Ų40.957%0.5721%0.211SC*.  trans-138.5137-177.6-58.5175-62.6-174.15.4110L267 S271 D272L267-R269 WeakPolarHBondContact CD1-O 3.33Å; R269-S271 PolarHBondContact O-N 3.19Å; R269-D272 IonicContact CZ-OD1 3.2Å; R269-D272 IonicContact CZ-OD2 2.91Å; R269-D272 IonicContact NE-OD1 3.35Å; R269-D272 IonicContact NE-OD2 3.58Å; R269-D272 PolarHBondContact NE-OD2 3.13Å; R269-D272 IonicContact NH2-OD1 3.96Å; R269-D272 PolarHBondContact NH2-OD1 3.34Å; R269-D272 IonicContact NH2-OD2 2.89Å; R269-D272 PolarHBondContact NH2-OD2 3.48Å; R269-D272 PolarHBondContact O-N 3.22Å; R269-D272 VanDerWaalsContact O-N 3.07Å
270I96.2Very high94.1Very high18 Ų1840.6 Ų40.69%0.09221%0.211CC..G310 helixtrans-59.3-30.5178.4-170.165000113.1F16 T17 L20 E103 L107 D272 L273F16-I270 HydrophobicContact CE1-CG2 4.03Å; T17-I270 HydrophobicContact CG2-CG1 4.49Å; L20-I270 HydrophobicContact CD1-CG1 4.12Å; L20-I270 HydrophobicContact CD1-CG2 4.3Å; E103-I270 HydrophobicContact CB-CD1 3.82Å; E103-I270 HydrophobicContact CB-CG1 3.91Å; E103-I270 WeakPolarHBondContact OE2-CB 3.4Å; E103-I270 WeakPolarHBondContact OE2-CG2 3.36Å; L107-I270 HydrophobicContact CD1-CD1 3.9Å; L107-I270 HydrophobicContact CD1-CG1 4Å; I270-D272 PolarHBondContact O-N 3.27Å; I270-L273 HydrophobicContact CD1-CB 4.31Å; I270-L273 HydrophobicContact CD1-CD2 3.93Å; I270-L273 VanDerWaalsContact O-CB 3.23Å; I270-L273 WeakPolarHBondContact O-CB 3.46Å; I270-L273 PolarHBondContact O-N 3.06Å; I270-L273 VanDerWaalsContact O-N 3.08Å
271S96.6Very high93.7Very high59 Ų5939.8 Ų39.841%0.41321%0.206SC..G310 helixtrans-60-26.4177.258.50000113.5R269R269-S271 PolarHBondContact O-N 3.19Å
272D97Very high93.2Very high55 Ų5541.8 Ų41.829%0.29422%0.219SC..G310 helixtrans-84.7-18-178.2-57.1-31.7000111.2R269 I270 G275 V276R269-D272 IonicContact CZ-OD1 3.2Å; R269-D272 IonicContact CZ-OD2 2.91Å; R269-D272 IonicContact NE-OD1 3.35Å; R269-D272 IonicContact NE-OD2 3.58Å; R269-D272 PolarHBondContact NE-OD2 3.13Å; R269-D272 IonicContact NH2-OD1 3.96Å; R269-D272 PolarHBondContact NH2-OD1 3.34Å; R269-D272 IonicContact NH2-OD2 2.89Å; R269-D272 PolarHBondContact NH2-OD2 3.48Å; R269-D272 PolarHBondContact O-N 3.22Å; R269-D272 VanDerWaalsContact O-N 3.07Å; I270-D272 PolarHBondContact O-N 3.27Å; D272-G275 PolarHBondContact O-N 3.02Å; D272-V276 WeakPolarHBondContact O-CG2 3.12Å; D272-V276 PolarHBondContact O-N 2.91Å; D272-V276 VanDerWaalsContact O-N 3.16Å
273L97.3Very high92.8Very high0 Ų042 Ų420%021%0.213CC..Hα-helixtrans-53.7-46.9-173.7-170.572.9000113.5L107 I108 I224 L267 I270 G275 V276 V277L107-L273 HydrophobicContact CB-CD2 4.37Å; L107-L273 HydrophobicContact CD1-CB 4.22Å; L107-L273 HydrophobicContact CD1-CD2 3.82Å; L107-L273 HydrophobicContact CD2-CD2 4.03Å; L107-L273 HydrophobicContact CG-CD2 4.29Å; I108-L273 HydrophobicContact CD1-CD2 4.12Å; I108-L273 HydrophobicContact CG1-CD2 3.97Å; I224-L273 HydrophobicContact CD1-CD1 4.1Å; I224-L273 HydrophobicContact CG2-CD1 4.4Å; L267-L273 HydrophobicContact CD1-CB 3.85Å; L267-L273 HydrophobicContact CD1-CD1 3.83Å; L267-L273 HydrophobicContact CD1-CG 4.47Å; L267-L273 HydrophobicContact CD2-CD1 3.8Å; L267-L273 HydrophobicContact CG-CD1 4.4Å; I270-L273 HydrophobicContact CD1-CB 4.31Å; I270-L273 HydrophobicContact CD1-CD2 3.93Å; I270-L273 VanDerWaalsContact O-CB 3.23Å; I270-L273 WeakPolarHBondContact O-CB 3.46Å; I270-L273 PolarHBondContact O-N 3.06Å; I270-L273 VanDerWaalsContact O-N 3.08Å; L273-G275 VanDerWaalsContact C-N 3.3Å; L273-G275 PolarHBondContact O-N 3.31Å; L273-V276 WeakPolarHBondContact O-CG2 3.32Å; L273-V276 PolarHBondContact O-N 3.28Å; L273-V277 HydrophobicContact CD1-CG2 3.51Å; L273-V277 HydrophobicContact CG-CG2 3.85Å; L273-V277 WeakPolarHBondContact O-CB 3.37Å; L273-V277 WeakPolarHBondContact O-CG2 3.43Å; L273-V277 PolarHBondContact O-N 3.29Å
274P96.7Very high92Very high0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-57.9-41.5-179.6-26.737000113.5L20 E23 L24 R27 L107 G278L20-P274 HydrophobicContact CB-CG 3.92Å; L20-P274 HydrophobicContact CD2-CG 4.17Å; E23-P274 HydrophobicContact CB-CB 4.16Å; E23-P274 HydrophobicContact CB-CG 4.45Å; E23-P274 HydrophobicContact CG-CB 3.97Å; L24-P274 HydrophobicContact CB-CB 4.02Å; L24-P274 HydrophobicContact CB-CG 4.41Å; R27-P274 WeakPolarHBondContact CD-O 3.45Å; L107-P274 HydrophobicContact CD1-CG 4.36Å; P274-G278 PolarHBondContact O-N 3.14Å; P274-G278 VanDerWaalsContact O-N 3.15Å
275G93.9Very high90.9Very high15 Ų1540.3 Ų40.316%0.15521%0.206CC..Hα-helixtrans-66.7-55.6179.100000111.7D272 L273 V277 G278 D279D272-G275 PolarHBondContact O-N 3.02Å; L273-G275 VanDerWaalsContact C-N 3.3Å; L273-G275 PolarHBondContact O-N 3.31Å; G275-V277 PolarHBondContact O-N 3.29Å; G275-G278 PolarHBondContact O-N 3.16Å; G275-D279 PolarHBondContact O-N 2.9Å
276V93.8Very high89.7Confident46 Ų4645.2 Ų45.228%0.27923%0.229SC..Hα-helixtrans-66.3-37.7-174.6-61.50000113.1I265 L267 D272 L273 A280I265-V276 HydrophobicContact CD1-CB 4.28Å; I265-V276 HydrophobicContact CD1-CG2 4.17Å; I265-V276 WeakPolarHBondContact CD1-O 3.24Å; I265-V276 HydrophobicContact CG1-CB 4.43Å; I265-V276 HydrophobicContact CG2-CB 3.76Å; I265-V276 HydrophobicContact CG2-CG1 4.49Å; I265-V276 HydrophobicContact CG2-CG2 3.41Å; I265-V276 VanDerWaalsContact CG2-CG2 3.41Å; L267-V276 HydrophobicContact CD1-CG2 4.39Å; D272-V276 WeakPolarHBondContact O-CG2 3.12Å; D272-V276 PolarHBondContact O-N 2.91Å; D272-V276 VanDerWaalsContact O-N 3.16Å; L273-V276 WeakPolarHBondContact O-CG2 3.32Å; L273-V276 PolarHBondContact O-N 3.28Å; V276-A280 WeakPolarHBondContact O-CB 3.49Å; V276-A280 PolarHBondContact O-N 2.98Å
277V93.5Very high88.3Confident7 Ų747.4 Ų47.44%0.04224%0.239CC..Hα-helixtrans-69.5-40.2175.7172.10000110.7L24 L222 I224 I265 L273 G275 L281L24-V277 HydrophobicContact CD1-CB 4.1Å; L24-V277 HydrophobicContact CD1-CG1 3.92Å; L222-V277 HydrophobicContact CD2-CG1 4.46Å; I224-V277 HydrophobicContact CD1-CG2 4.28Å; I265-V277 HydrophobicContact CD1-CB 4.42Å; I265-V277 HydrophobicContact CD1-CG2 3.84Å; L273-V277 HydrophobicContact CD1-CG2 3.51Å; L273-V277 HydrophobicContact CG-CG2 3.85Å; L273-V277 WeakPolarHBondContact O-CB 3.37Å; L273-V277 WeakPolarHBondContact O-CG2 3.43Å; L273-V277 PolarHBondContact O-N 3.29Å; G275-V277 PolarHBondContact O-N 3.29Å; V277-L281 HydrophobicContact CG1-CD1 3.81Å; V277-L281 HydrophobicContact CG1-CG 4.44Å; V277-L281 WeakPolarHBondContact O-CB 3.49Å; V277-L281 WeakPolarHBondContact O-CG 3.47Å; V277-L281 PolarHBondContact O-N 3.43Å
278G90.4Very high86.7Confident2 Ų250.8 Ų50.82%0.02126%0.26CS..Hα-helixtrans-58.1-49.2173.900000111.7I31 P274 G275 L281 C282I31-G278 WeakPolarHBondContact CD1-O 3.39Å; P274-G278 PolarHBondContact O-N 3.14Å; P274-G278 VanDerWaalsContact O-N 3.15Å; G275-G278 PolarHBondContact O-N 3.16Å; G278-L281 PolarHBondContact O-N 2.86Å; G278-C282 VanDerWaalsContact O-CB 3.3Å; G278-C282 WeakPolarHBondContact O-CB 3.16Å; G278-C282 PolarHBondContact O-N 3.21Å
279D88.8Confident84.8Confident108 Ų10850.2 Ų50.258%0.57827%0.272SS*.Hα-helixtrans-65.9-43.6-178.6-65.7-18.1000112G275 L281 C282 Q283G275-D279 PolarHBondContact O-N 2.9Å; D279-L281 PolarHBondContact O-N 3.46Å; D279-C282 WeakPolarHBondContact O-CB 3.3Å; D279-C282 PolarHBondContact O-N 2.88Å; D279-Q283 PolarHBondContact O-N 3.28Å
280A88.6Confident82.3Confident12 Ų1249.8 Ų49.810%0.09928%0.281CS..Hα-helixtrans-62.6-43.2178.100000112.6L222 I265 V276 Q283 W284L222-A280 HydrophobicContact CD1-CB 3.95Å; I265-A280 HydrophobicContact CD1-CB 3.78Å; I265-A280 HydrophobicContact CG1-CB 4.08Å; V276-A280 WeakPolarHBondContact O-CB 3.49Å; V276-A280 PolarHBondContact O-N 2.98Å; A280-Q283 PolarHBondContact O-N 3.35Å; A280-W284 PolarHBondContact O-N 3.48Å; A280-W284 VanDerWaalsContact O-N 3.1Å
281L86.6Confident79.5Confident5 Ų558.4 Ų58.43%0.02633%0.325CS..Hα-helixtrans-71-32.9176.6-71.4172.3000111.9L28 I31 L189 F220 V277 G278 D279 W284 F285L28-L281 HydrophobicContact CD2-CB 4.48Å; L28-L281 HydrophobicContact CD2-CD1 3.47Å; L28-L281 VanDerWaalsContact CD2-CD1 3.47Å; I31-L281 HydrophobicContact CG2-CB 3.99Å; L189-L281 HydrophobicContact CD2-CD2 3.98Å; F220-L281 HydrophobicContact CD1-CD2 4.2Å; F220-L281 HydrophobicContact CE1-CD2 3.86Å; V277-L281 HydrophobicContact CG1-CD1 3.81Å; V277-L281 HydrophobicContact CG1-CG 4.44Å; V277-L281 WeakPolarHBondContact O-CB 3.49Å; V277-L281 WeakPolarHBondContact O-CG 3.47Å; V277-L281 PolarHBondContact O-N 3.43Å; G278-L281 PolarHBondContact O-N 2.86Å; D279-L281 PolarHBondContact O-N 3.46Å; L281-W284 HydrophobicContact CD2-CE3 4.24Å; L281-W284 WeakPolarHBondContact O-CB 3.26Å; L281-W284 PolarHBondContact O-N 2.93Å; L281-F285 WeakPolarHBondContact O-CD2 3.47Å; L281-F285 PolarHBondContact O-N 3.28Å
282C83.6Confident78.6Confident44 Ų4458.4 Ų58.430%0.29732%0.321SS..Hα-helixtrans-62.2-46172.7-170.30000111.4I31 G278 D279 W284 F285 Q286I31-C282 HydrophobicContact CD1-CB 3.93Å; I31-C282 HydrophobicContact CG1-CB 4.18Å; G278-C282 VanDerWaalsContact O-CB 3.3Å; G278-C282 WeakPolarHBondContact O-CB 3.16Å; G278-C282 PolarHBondContact O-N 3.21Å; D279-C282 WeakPolarHBondContact O-CB 3.3Å; D279-C282 PolarHBondContact O-N 2.88Å; C282-W284 VanDerWaalsContact C-N 3.29Å; C282-W284 PolarHBondContact O-N 2.94Å; C282-F285 PolarHBondContact O-N 3.11Å; C282-Q286 WeakPolarHBondContact O-CG 3.25Å; C282-Q286 PolarHBondContact O-N 3.02Å
283Q82Confident77.6Confident95 Ų9558.5 Ų58.544%0.44432%0.322SS..Hα-helixtrans-58.3-41.9175.6-175.7-179.111.700111.5F263 D279 A280 Q286 M287F263-Q283 HydrophobicContact CE1-CG 4.49Å; D279-Q283 PolarHBondContact O-N 3.28Å; A280-Q283 PolarHBondContact O-N 3.35Å; Q283-Q286 PolarHBondContact O-N 2.81Å; Q283-M287 HydrophobicContact CG-CE 3.84Å; Q283-M287 WeakPolarHBondContact O-CG 3.49Å; Q283-M287 PolarHBondContact O-N 3.16Å
284W75.2Confident76.6Confident32 Ų3261.8 Ų61.812%0.12134%0.34CS..Hα-helixtrans-58.7-50.6174.1168.559.7000112.8L32 Y80 F220 A280 L281 C282 Q286 M287 V288L32-W284 HydrophobicContact CD2-CZ3 4.48Å; Y80-W284 HydrophobicContact CE1-CH2 4.4Å; F220-W284 HydrophobicContact CB-CZ2 4.2Å; F220-W284 HydrophobicContact CD1-CB 4.37Å; F220-W284 AromaticContact CD1-CD2 3.85Å; F220-W284 HydrophobicContact CD1-CD2 3.85Å; F220-W284 HydrophobicContact CD1-CE3 4.38Å; F220-W284 AromaticContact CD1-CG 3.81Å; F220-W284 HydrophobicContact CD1-CG 3.81Å; F220-W284 HydrophobicContact CD2-CB 4.39Å; F220-W284 AromaticContact CD2-CD1 3.06Å; F220-W284 HydrophobicContact CD2-CD2 4.25Å; F220-W284 AromaticContact CD2-CG 3.67Å; F220-W284 HydrophobicContact CD2-CG 3.67Å; F220-W284 AromaticContact CD2-NE1 3.29Å; F220-W284 VanDerWaalsContact CD2-NE1 3.29Å; F220-W284 HydrophobicContact CE1-CB 3.82Å; F220-W284 HydrophobicContact CE1-CD2 4.19Å; F220-W284 AromaticContact CE1-CG 3.76Å; F220-W284 HydrophobicContact CE1-CG 3.76Å; F220-W284 HydrophobicContact CE2-CB 3.73Å; F220-W284 AromaticContact CE2-CD1 3.14Å; F220-W284 HydrophobicContact CE2-CD2 4.45Å; F220-W284 AromaticContact CE2-CG 3.5Å; F220-W284 HydrophobicContact CE2-CG 3.5Å; F220-W284 VanDerWaalsContact CE2-CG 3.5Å; F220-W284 AromaticContact CE2-NE1 3.89Å; F220-W284 AromaticContact CG-CD1 3.55Å; F220-W284 AromaticContact CG-CD2 3.95Å; F220-W284 HydrophobicContact CG-CD2 3.95Å; F220-W284 AromaticContact CG-CE2 3.75Å; F220-W284 AromaticContact CG-CG 3.83Å; F220-W284 HydrophobicContact CG-CG 3.83Å; F220-W284 HydrophobicContact CG-CZ2 4.48Å; F220-W284 AromaticContact CG-NE1 3.44Å; F220-W284 HydrophobicContact CZ-CB 3.47Å; F220-W284 VanDerWaalsContact CZ-CB 3.47Å; F220-W284 AromaticContact CZ-CD1 3.77Å; F220-W284 HydrophobicContact CZ-CD2 4.48Å; F220-W284 AromaticContact CZ-CG 3.61Å; F220-W284 HydrophobicContact CZ-CG 3.61Å; A280-W284 PolarHBondContact O-N 3.48Å; A280-W284 VanDerWaalsContact O-N 3.1Å; L281-W284 HydrophobicContact CD2-CE3 4.24Å; L281-W284 WeakPolarHBondContact O-CB 3.26Å; L281-W284 PolarHBondContact O-N 2.93Å; C282-W284 VanDerWaalsContact C-N 3.29Å; C282-W284 PolarHBondContact O-N 2.94Å; W284-Q286 VanDerWaalsContact C-N 3.26Å; W284-Q286 PolarHBondContact O-N 3.24Å; W284-M287 PolarHBondContact O-N 3.27Å; W284-M287 VanDerWaalsContact O-N 3.09Å; W284-V288 HydrophobicContact CG-CG2 4.5Å; W284-V288 HydrophobicContact CZ2-CG2 4.38Å; W284-V288 PolarHBondContact O-N 3.18Å
285F71.6Confident75.4Confident51 Ų5165.4 Ų65.422%0.22436%0.36CS..Hα-helixtrans-58.5-40.1178.8-93.9-81.5000112.5I31 L32 Y80 L281 C282 V288 A289I31-F285 HydrophobicContact CB-CD2 4.48Å; I31-F285 HydrophobicContact CG2-CD2 3.23Å; I31-F285 HydrophobicContact CG2-CE2 3.49Å; I31-F285 VanDerWaalsContact CG2-CE2 3.49Å; I31-F285 HydrophobicContact CG2-CG 4.23Å; I31-F285 WeakPolarHBondContact O-CE1 3.33Å; I31-F285 WeakPolarHBondContact O-CE2 3.44Å; I31-F285 WeakPolarHBondContact O-CZ 3.44Å; L32-F285 HydrophobicContact CD2-CE2 3.67Å; L32-F285 HydrophobicContact CD2-CZ 3.97Å; L32-F285 HydrophobicContact CG-CE2 4.46Å; Y80-F285 HydrophobicContact CE1-CZ 4.11Å; Y80-F285 WeakPolarHBondContact OH-CZ 3.34Å; L281-F285 WeakPolarHBondContact O-CD2 3.47Å; L281-F285 PolarHBondContact O-N 3.28Å; C282-F285 PolarHBondContact O-N 3.11Å; F285-V288 PolarHBondContact O-N 3.4Å; F285-A289 WeakPolarHBondContact O-CB 3.47Å; F285-A289 PolarHBondContact O-N 3.05Å
286Q71.7Confident74.2Confident116 Ų11668.6 Ų68.654%0.54237%0.373SS..Hα-helixtrans-64.5-40.3176.7-69.6176.60.500111.7C282 Q283 W284 N290C282-Q286 WeakPolarHBondContact O-CG 3.25Å; C282-Q286 PolarHBondContact O-N 3.02Å; Q283-Q286 PolarHBondContact O-N 2.81Å; W284-Q286 VanDerWaalsContact C-N 3.26Å; W284-Q286 PolarHBondContact O-N 3.24Å; Q286-N290 WeakPolarHBondContact O-CB 3.31Å; Q286-N290 PolarHBondContact O-N 3.42Å; Q286-N290 PolarHBondContact O-ND2 3.15Å; Q286-N290 VanDerWaalsContact O-ND2 3.07Å
287M66.5Low72.9Confident87 Ų8770.1 Ų70.143%0.42938%0.379SS..Hα-helixtrans-66.7-42.6176.7-72-171.6-170.300112.3F263 Q283 W284 N290 I291F263-M287 HydrophobicContact CE1-CE 4.03Å; F263-M287 HydrophobicContact CE1-SD 3.75Å; F263-M287 HydrophobicContact CZ-CE 4.27Å; F263-M287 HydrophobicContact CZ-SD 3.48Å; F263-M287 WeakPolarHBondContact CZ-SD 3.05Å; Q283-M287 HydrophobicContact CG-CE 3.84Å; Q283-M287 WeakPolarHBondContact O-CG 3.49Å; Q283-M287 PolarHBondContact O-N 3.16Å; W284-M287 PolarHBondContact O-N 3.27Å; W284-M287 VanDerWaalsContact O-N 3.09Å; M287-N290 PolarHBondContact O-N 3.31Å; M287-I291 WeakPolarHBondContact O-CD1 3.43Å; M287-I291 WeakPolarHBondContact O-CG1 3.18Å
288V62.4Low71.4Confident74 Ų7474.6 Ų74.645%0.44840%0.403SS..Hα-helixtrans-70.2-37.5178.4176.20000112.1W284 F285 N290 I291W284-V288 HydrophobicContact CG-CG2 4.5Å; W284-V288 HydrophobicContact CZ2-CG2 4.38Å; W284-V288 PolarHBondContact O-N 3.18Å; F285-V288 PolarHBondContact O-N 3.4Å; V288-N290 VanDerWaalsContact C-N 3.26Å; V288-N290 PolarHBondContact O-N 3.37Å; V288-I291 PolarHBondContact O-N 2.86Å
289A54.6Low70Confident77 Ų7780.2 Ų80.264%0.63643%0.433SS*.Hα-helixtrans-72-19.7179.500000113.6F285F285-A289 WeakPolarHBondContact O-CB 3.47Å; F285-A289 PolarHBondContact O-N 3.05Å
290N41Very low68.4Low143 Ų14377.8 Ų77.877%0.76542%0.421SS*.THydrogen-bonded Turntrans-91.24.2176.9-71.3-22.7000113.3Q286 M287 V288Q286-N290 WeakPolarHBondContact O-CB 3.31Å; Q286-N290 PolarHBondContact O-N 3.42Å; Q286-N290 PolarHBondContact O-ND2 3.15Å; Q286-N290 VanDerWaalsContact O-ND2 3.07Å; M287-N290 PolarHBondContact O-N 3.31Å; V288-N290 VanDerWaalsContact C-N 3.26Å; V288-N290 PolarHBondContact O-N 3.37Å
291I37.1Very low66.6Low198 Ų19883.8 Ų83.8100%1.01545%0.45SS*.  trans-103.60172-62.4166000108.4M287 V288M287-I291 WeakPolarHBondContact O-CD1 3.43Å; M287-I291 WeakPolarHBondContact O-CG1 3.18Å; V288-I291 PolarHBondContact O-N 2.86Å

Retrieved 291 of 291 residues in 80.9 ms (Link to these results)

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