A0A077ZAD6_TRITR Loading...

SIR2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAD6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M41.5Very low62.8Low179 Ų17982.6 Ų82.688%0.88243%0.431SS*.  0-47.20-131.9174.6-87.100113.5L3 I4 H5M1-L3 PolarHBondContact O-N 2.71Å; M1-I4 PolarHBondContact O-N 2.82Å; M1-H5 PolarHBondContact O-CD2 3.49Å; M1-H5 PolarHBondContact O-N 3.09Å
2F41.5Very low64.4Low169 Ų16978.4 Ų78.474%0.74142%0.423SS*.Hα-helixtrans-55.4-42.3-177.7-167.9-101.6000115.1H5 L6F2-H5 PolarHBondContact O-N 2.82Å; F2-L6 PolarHBondContact O-N 3.4Å
3L47.8Very low65.9Low77 Ų7782.5 Ų82.540%0.40344%0.437SS..Hα-helixtrans-69.2-38.5-179.9-81.2155.5000113.8M1 H5 L6 Q7 P57 L278M1-L3 PolarHBondContact O-N 2.71Å; L3-H5 VanDerWaalsContact C-N 3.32Å; L3-H5 PolarHBondContact O-N 2.97Å; L3-L6 PolarHBondContact O-N 3.36Å; L3-Q7 WeakPolarHBondContact O-CG 3.41Å; L3-Q7 PolarHBondContact O-N 3.39Å; L3-P57 HydrophobicContact CB-CG 4.27Å; L3-P57 HydrophobicContact CD1-CG 4.3Å; L3-L278 HydrophobicContact CD1-CD1 3.38Å; L3-L278 HydrophobicContact CD1-CG 4.49Å
4I56.8Low67.3Low62 Ų6278.3 Ų78.332%0.31842%0.415SS..Hα-helixtrans-62.7-42.3174.7-68.3171.2000109.8M1 L6 Q7 A8M1-I4 PolarHBondContact O-N 2.82Å; I4-L6 VanDerWaalsContact C-N 3.35Å; I4-L6 PolarHBondContact O-N 2.85Å; I4-Q7 PolarHBondContact O-N 3.14Å; I4-A8 VanDerWaalsContact O-CB 3.28Å; I4-A8 WeakPolarHBondContact O-CB 3.31Å; I4-A8 PolarHBondContact O-N 3.32Å
5H58.1Low68.5Low117 Ų11775.2 Ų75.254%0.54241%0.405SS..Hα-helixtrans-64.7-37.1175.3-70.9-58.3000112.9M1 F2 L3 A9M1-H5 PolarHBondContact O-CD2 3.49Å; M1-H5 PolarHBondContact O-N 3.09Å; F2-H5 PolarHBondContact O-N 2.82Å; L3-H5 VanDerWaalsContact C-N 3.32Å; L3-H5 PolarHBondContact O-N 2.97Å; H5-A9 WeakPolarHBondContact O-CB 3.29Å; H5-A9 PolarHBondContact O-N 2.9Å
6L61.8Low69.6Low88 Ų8880.5 Ų80.546%0.46143%0.429SS..Hα-helixtrans-68.1-44.3176.7-168.172.2000111.9F2 L3 I4 A9 M10F2-L6 PolarHBondContact O-N 3.4Å; L3-L6 PolarHBondContact O-N 3.36Å; I4-L6 VanDerWaalsContact C-N 3.35Å; I4-L6 PolarHBondContact O-N 2.85Å; L6-A9 PolarHBondContact O-N 3.38Å; L6-M10 WeakPolarHBondContact O-CG 3.45Å; L6-M10 PolarHBondContact O-N 3.09Å
7Q69.6Low70.7Confident30 Ų3080.3 Ų80.314%0.1444%0.441CS..Hα-helixtrans-62.1-43.7174.9-74.4176.9-48.600111.4L3 I4 A9 M10 A11 L53L3-Q7 WeakPolarHBondContact O-CG 3.41Å; L3-Q7 PolarHBondContact O-N 3.39Å; I4-Q7 PolarHBondContact O-N 3.14Å; Q7-A9 VanDerWaalsContact C-N 3.35Å; Q7-A9 PolarHBondContact O-N 3.03Å; Q7-M10 PolarHBondContact O-N 2.79Å; Q7-A11 WeakPolarHBondContact O-CB 3.46Å; Q7-A11 PolarHBondContact O-N 2.72Å; Q7-L53 HydrophobicContact CB-CD2 3.99Å
8A75.5Confident71.5Confident42 Ų4278.7 Ų78.735%0.34745%0.446SS..Hα-helixtrans-62.8-39.9176.100000112.1I4 A11 G12I4-A8 VanDerWaalsContact O-CB 3.28Å; I4-A8 WeakPolarHBondContact O-CB 3.31Å; I4-A8 PolarHBondContact O-N 3.32Å; A8-A11 PolarHBondContact O-N 3.46Å; A8-G12 PolarHBondContact O-N 3.44Å
9A74.6Confident72.3Confident55 Ų5578.3 Ų78.346%0.45544%0.439SS..Hα-helixtrans-65.2-45.5175.800000112.1H5 L6 Q7 G12 Q13H5-A9 WeakPolarHBondContact O-CB 3.29Å; H5-A9 PolarHBondContact O-N 2.9Å; L6-A9 PolarHBondContact O-N 3.38Å; Q7-A9 VanDerWaalsContact C-N 3.35Å; Q7-A9 PolarHBondContact O-N 3.03Å; A9-G12 PolarHBondContact O-N 3.36Å; A9-Q13 PolarHBondContact O-N 2.6Å
10M79.5Confident73.1Confident87 Ų8774.7 Ų74.743%0.42942%0.419SS..Hα-helixtrans-62.7-42.3175.7-73.4-178.368.600112L6 Q7 Q13 L14 L28L6-M10 WeakPolarHBondContact O-CG 3.45Å; L6-M10 PolarHBondContact O-N 3.09Å; Q7-M10 PolarHBondContact O-N 2.79Å; M10-Q13 PolarHBondContact O-N 3.05Å; M10-L14 WeakPolarHBondContact O-CG 3.45Å; M10-L14 PolarHBondContact O-N 2.84Å; M10-L28 HydrophobicContact CB-CD2 4.1Å
11A83.9Confident73.7Confident3 Ų371.1 Ų71.13%0.02540%0.399CS..Hα-helixtrans-62.5-42.2174.800000112.2Q7 A8 Q13 L14 A15 I24 L28 L49 L53Q7-A11 WeakPolarHBondContact O-CB 3.46Å; Q7-A11 PolarHBondContact O-N 2.72Å; A8-A11 PolarHBondContact O-N 3.46Å; A11-Q13 VanDerWaalsContact C-N 3.35Å; A11-Q13 PolarHBondContact O-N 3.47Å; A11-L14 PolarHBondContact O-N 2.93Å; A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.32Å; A11-A15 PolarHBondContact O-N 3.36Å; A11-I24 HydrophobicContact CB-CG2 3.72Å; A11-L28 HydrophobicContact CB-CD1 4.23Å; A11-L49 HydrophobicContact CB-CD1 4.49Å; A11-L53 HydrophobicContact CB-CD1 3.56Å; A11-L53 HydrophobicContact CB-CD2 3.71Å; A11-L53 HydrophobicContact CB-CG 4.2Å
12G81.7Confident75.7Confident32 Ų3263.3 Ų63.333%0.3336%0.36SS..Hα-helixtrans-58.8-44174.600000112.4A8 A9 A15 M16A8-G12 PolarHBondContact O-N 3.44Å; A9-G12 PolarHBondContact O-N 3.36Å; G12-A15 PolarHBondContact O-N 3.28Å; G12-M16 WeakPolarHBondContact O-CG 3.46Å; G12-M16 PolarHBondContact O-N 3.13Å
13Q83.8Confident77.8Confident131 Ų13158.8 Ų58.861%0.61234%0.342SS*.Hα-helixtrans-63.5-44.5176.1-73.2-179.5-19.700112.7A9 M10 A11 M16 A17A9-Q13 PolarHBondContact O-N 2.6Å; M10-Q13 PolarHBondContact O-N 3.05Å; A11-Q13 VanDerWaalsContact C-N 3.35Å; A11-Q13 PolarHBondContact O-N 3.47Å; Q13-M16 HydrophobicContact CG-CE 4.32Å; Q13-M16 PolarHBondContact O-N 3.01Å; Q13-A17 WeakPolarHBondContact O-CB 3.27Å; Q13-A17 PolarHBondContact O-N 3.34Å
14L85.9Confident79.6Confident24 Ų2455.1 Ų55.113%0.12632%0.323CS..Hα-helixtrans-66.4-38.8178.3-68.3168.5000111.6M10 A11 A17 G18 K19 I24 R27M10-L14 WeakPolarHBondContact O-CG 3.45Å; M10-L14 PolarHBondContact O-N 2.84Å; A11-L14 PolarHBondContact O-N 2.93Å; L14-A17 CarbonylContact O-C 3.56Å; L14-A17 WeakPolarHBondContact O-CB 3.39Å; L14-A17 PolarHBondContact O-N 3.39Å; L14-A17 VanDerWaalsContact O-N 3.17Å; L14-G18 PolarHBondContact O-N 3.01Å; L14-K19 HydrophobicContact CB-CB 4.24Å; L14-K19 HydrophobicContact CB-CG 4.35Å; L14-K19 HydrophobicContact CD2-CG 4.34Å; L14-K19 VanDerWaalsContact O-CB 3.26Å; L14-K19 WeakPolarHBondContact O-CB 3.38Å; L14-K19 PolarHBondContact O-N 2.92Å; L14-I24 HydrophobicContact CB-CD1 4.18Å; L14-I24 HydrophobicContact CB-CG1 3.7Å; L14-I24 HydrophobicContact CD1-CG1 4.43Å; L14-I24 HydrophobicContact CD1-CG2 4.16Å; L14-R27 HydrophobicContact CD1-CB 4.24Å; L14-R27 HydrophobicContact CD1-CG 4.25Å
15A85.2Confident80.8Confident32 Ų3252.6 Ų52.626%0.26431%0.309SS..Hα-helixtrans-62.3-44174.300000111.8A11 G12 A17 G18 I24 W46A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.32Å; A11-A15 PolarHBondContact O-N 3.36Å; G12-A15 PolarHBondContact O-N 3.28Å; A15-A17 PolarHBondContact O-N 3.48Å; A15-G18 PolarHBondContact O-N 3.01Å; A15-I24 HydrophobicContact CB-CD1 3.86Å; A15-W46 HydrophobicContact CB-CH2 3.61Å; A15-W46 HydrophobicContact CB-CZ3 3.86Å
16M85.9Confident82.1Confident160 Ų16049.4 Ų49.479%0.78830%0.295SS*.Hα-helixtrans-63.6-29.7174.1-72.4-171.5-6100112.7G12 Q13 G18G12-M16 WeakPolarHBondContact O-CG 3.46Å; G12-M16 PolarHBondContact O-N 3.13Å; Q13-M16 HydrophobicContact CG-CE 4.32Å; Q13-M16 PolarHBondContact O-N 3.01Å; M16-G18 PolarHBondContact O-N 3.02Å
17A88.1Confident83.1Confident77 Ų7753.3 Ų53.364%0.63630%0.303SS*.THydrogen-bonded Turntrans-78.48.4173.100000113.6Q13 L14 A15Q13-A17 WeakPolarHBondContact O-CB 3.27Å; Q13-A17 PolarHBondContact O-N 3.34Å; L14-A17 CarbonylContact O-C 3.56Å; L14-A17 WeakPolarHBondContact O-CB 3.39Å; L14-A17 PolarHBondContact O-N 3.39Å; L14-A17 VanDerWaalsContact O-N 3.17Å; A15-A17 PolarHBondContact O-N 3.48Å
18G85.2Confident83.6Confident52 Ų5253.4 Ų53.454%0.53631%0.305SS..THydrogen-bonded Turntrans80.710.2176.100000114.8L14 A15 M16L14-G18 PolarHBondContact O-N 3.01Å; A15-G18 PolarHBondContact O-N 3.01Å; M16-G18 PolarHBondContact O-N 3.02Å
19K86.8Confident83.7Confident71 Ų7154.3 Ų54.331%0.30930%0.304SS..  trans-69.9137.6176.9-64.8-65.6-177.7-174.10111.2L14 E23 I24L14-K19 HydrophobicContact CB-CB 4.24Å; L14-K19 HydrophobicContact CB-CG 4.35Å; L14-K19 HydrophobicContact CD2-CG 4.34Å; L14-K19 VanDerWaalsContact O-CB 3.26Å; L14-K19 WeakPolarHBondContact O-CB 3.38Å; L14-K19 PolarHBondContact O-N 2.92Å; K19-E23 WeakPolarHBondContact CA-OE2 3.21Å; K19-E23 HydrophobicContact CB-CB 4.31Å; K19-E23 HydrophobicContact CD-CB 4.23Å; K19-E23 WeakPolarHBondContact CD-OE2 3.37Å; K19-E23 IonicContact NZ-OE1 3.71Å; K19-E23 PolarHBondContact NZ-OE1 2.85Å; K19-E23 IonicContact NZ-OE2 3.41Å; K19-I24 HydrophobicContact CB-CD1 4.42Å; K19-I24 HydrophobicContact CB-CG1 3.89Å
20C88.8Confident83.8Confident5 Ų555.2 Ų55.23%0.03432%0.318CS..  trans-71.8159.4175.682.50000110.1M22 E23 I24 D40 H41C20-M22 PolarHBondContact O-N 3.16Å; C20-M22 VanDerWaalsContact O-N 3.13Å; C20-E23 PolarHBondContact N-OE2 2.95Å; C20-E23 PolarHBondContact O-N 2.79Å; C20-E23 PolarHBondContact SG-N 3.32Å; C20-E23 VanDerWaalsContact SG-N 3.37Å; C20-I24 VanDerWaalsContact O-CG1 3.32Å; C20-I24 WeakPolarHBondContact O-CG1 3.29Å; C20-I24 PolarHBondContact O-N 2.76Å; C20-D40 HydrophobicContact CB-CB 4.16Å; C20-D40 PolarHBondContact SG-OD1 3.46Å; C20-H41 WeakPolarHBondContact CB-NE2 3.37Å
21P85.8Confident83.6Confident0 Ų057.5 Ų57.50%033%0.326CS..Hα-helixtrans-54.3-35.9-178.9-28.237000113.9I24 I25 A45 W46 L49P21-I24 WeakPolarHBondContact O-CB 3.49Å; P21-I24 PolarHBondContact O-N 3.43Å; P21-I25 WeakPolarHBondContact O-CG1 3.49Å; P21-I25 PolarHBondContact O-N 3.03Å; P21-A45 HydrophobicContact CB-CB 3.91Å; P21-A45 VanDerWaalsContact CB-O 3.3Å; P21-A45 WeakPolarHBondContact CB-O 3.31Å; P21-A45 HydrophobicContact CG-CB 3.83Å; P21-W46 HydrophobicContact CB-CD2 4.44Å; P21-W46 HydrophobicContact CB-CE3 4.42Å; P21-W46 HydrophobicContact CG-CB 4.44Å; P21-W46 HydrophobicContact CG-CD2 3.38Å; P21-W46 VanDerWaalsContact CG-CE2 3.43Å; P21-W46 HydrophobicContact CG-CE3 3.74Å; P21-W46 HydrophobicContact CG-CG 3.72Å; P21-W46 HydrophobicContact CG-CH2 4.1Å; P21-W46 HydrophobicContact CG-CZ2 3.81Å; P21-W46 HydrophobicContact CG-CZ3 4.08Å; P21-L49 HydrophobicContact CB-CB 3.99Å; P21-L49 HydrophobicContact CB-CD2 4.3Å
22M83.3Confident83.1Confident15 Ų1566.3 Ų66.37%0.07436%0.363CS..Hα-helixtrans-71.7-42.7-179.3-61.8-43.5-154.900112.5C20 I24 I25 E26 F35 V39C20-M22 PolarHBondContact O-N 3.16Å; C20-M22 VanDerWaalsContact O-N 3.13Å; M22-I24 PolarHBondContact O-N 3.14Å; M22-I25 PolarHBondContact O-N 3.01Å; M22-I25 HydrophobicContact SD-CD1 4.06Å; M22-E26 WeakPolarHBondContact O-CB 3.39Å; M22-E26 WeakPolarHBondContact O-CG 3.37Å; M22-E26 PolarHBondContact O-N 3.4Å; M22-F35 HydrophobicContact CB-CD2 3.81Å; M22-F35 HydrophobicContact CB-CE2 3.61Å; M22-F35 HydrophobicContact CB-CZ 4.34Å; M22-F35 HydrophobicContact CE-CB 3.58Å; M22-F35 HydrophobicContact CE-CD1 3.08Å; M22-F35 HydrophobicContact CE-CD2 3.82Å; M22-F35 HydrophobicContact CE-CE1 3.57Å; M22-F35 HydrophobicContact CE-CE2 4.24Å; M22-F35 HydrophobicContact CE-CG 3.21Å; M22-F35 HydrophobicContact CE-CZ 4.12Å; M22-F35 HydrophobicContact CG-CD2 3.67Å; M22-F35 HydrophobicContact CG-CE2 3.81Å; M22-F35 HydrophobicContact CG-CG 4.07Å; M22-F35 HydrophobicContact CG-CZ 4.31Å; M22-F35 HydrophobicContact SD-CB 4.48Å; M22-F35 HydrophobicContact SD-CD1 3.53Å; M22-F35 VanDerWaalsContact SD-CD1 3.53Å; M22-F35 HydrophobicContact SD-CD2 3.59Å; M22-F35 VanDerWaalsContact SD-CD2 3.59Å; M22-F35 HydrophobicContact SD-CE1 3.38Å; M22-F35 WeakPolarHBondContact SD-CE1 3.27Å; M22-F35 HydrophobicContact SD-CE2 3.46Å; M22-F35 WeakPolarHBondContact SD-CE2 3.44Å; M22-F35 HydrophobicContact SD-CG 3.61Å; M22-F35 HydrophobicContact SD-CZ 3.35Å; M22-F35 WeakPolarHBondContact SD-CZ 3.39Å; M22-V39 HydrophobicContact CE-CB 3.45Å; M22-V39 VanDerWaalsContact CE-CB 3.45Å; M22-V39 HydrophobicContact CE-CG1 3.37Å; M22-V39 HydrophobicContact CE-CG2 4.25Å; M22-V39 HydrophobicContact CG-CB 3.85Å; M22-V39 HydrophobicContact CG-CG2 4.16Å; M22-V39 WeakPolarHBondContact CG-O 3.35Å
23E85.2Confident82.4Confident75 Ų7566.7 Ų66.735%0.3536%0.359SS..Hα-helixtrans-59.7-36.3171.5-73.6-178.4120.500111.4K19 C20 R27K19-E23 WeakPolarHBondContact CA-OE2 3.21Å; K19-E23 HydrophobicContact CB-CB 4.31Å; K19-E23 HydrophobicContact CD-CB 4.23Å; K19-E23 WeakPolarHBondContact CD-OE2 3.37Å; K19-E23 IonicContact NZ-OE1 3.71Å; K19-E23 PolarHBondContact NZ-OE1 2.85Å; K19-E23 IonicContact NZ-OE2 3.41Å; C20-E23 PolarHBondContact N-OE2 2.95Å; C20-E23 PolarHBondContact O-N 2.79Å; C20-E23 PolarHBondContact SG-N 3.32Å; C20-E23 VanDerWaalsContact SG-N 3.37Å; E23-R27 VanDerWaalsContact O-CB 3.23Å; E23-R27 WeakPolarHBondContact O-CB 3.46Å; E23-R27 PolarHBondContact O-N 3.29Å
24I86.9Confident81.6Confident0 Ų067.5 Ų67.50%037%0.373CS..Hα-helixtrans-65.1-49.9176-62.4170.7000110.1A11 L14 A15 K19 C20 P21 M22 E26 R27 L28 W46 L49A11-I24 HydrophobicContact CB-CG2 3.72Å; L14-I24 HydrophobicContact CB-CD1 4.18Å; L14-I24 HydrophobicContact CB-CG1 3.7Å; L14-I24 HydrophobicContact CD1-CG1 4.43Å; L14-I24 HydrophobicContact CD1-CG2 4.16Å; A15-I24 HydrophobicContact CB-CD1 3.86Å; K19-I24 HydrophobicContact CB-CD1 4.42Å; K19-I24 HydrophobicContact CB-CG1 3.89Å; C20-I24 VanDerWaalsContact O-CG1 3.32Å; C20-I24 WeakPolarHBondContact O-CG1 3.29Å; C20-I24 PolarHBondContact O-N 2.76Å; P21-I24 WeakPolarHBondContact O-CB 3.49Å; P21-I24 PolarHBondContact O-N 3.43Å; M22-I24 PolarHBondContact O-N 3.14Å; I24-E26 PolarHBondContact O-N 2.93Å; I24-R27 PolarHBondContact O-N 2.92Å; I24-L28 HydrophobicContact CG2-CD1 3.89Å; I24-L28 HydrophobicContact CG2-CG 4.34Å; I24-L28 VanDerWaalsContact O-CG 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 3.09Å; I24-W46 HydrophobicContact CD1-CH2 3.99Å; I24-W46 HydrophobicContact CD1-CZ3 4.02Å; I24-L49 HydrophobicContact CB-CD1 4.17Å; I24-L49 HydrophobicContact CB-CD2 4.14Å; I24-L49 HydrophobicContact CD1-CD2 3.78Å; I24-L49 HydrophobicContact CG2-CD1 3.61Å; I24-L49 HydrophobicContact CG2-CD2 3.95Å; I24-L49 HydrophobicContact CG2-CG 4.46Å
25I82.3Confident80.5Confident8 Ų869.5 Ų69.54%0.04138%0.38CS..Hα-helixtrans-59.5-47.8177.9-67.4169.4000110.6P21 M22 R27 L28 L29 F35 L49 F52P21-I25 WeakPolarHBondContact O-CG1 3.49Å; P21-I25 PolarHBondContact O-N 3.03Å; M22-I25 PolarHBondContact O-N 3.01Å; M22-I25 HydrophobicContact SD-CD1 4.06Å; I25-R27 VanDerWaalsContact C-N 3.26Å; I25-R27 PolarHBondContact O-N 3.35Å; I25-L28 PolarHBondContact O-N 3.37Å; I25-L29 HydrophobicContact CG2-CD1 3.59Å; I25-L29 HydrophobicContact CG2-CG 4.13Å; I25-L29 WeakPolarHBondContact O-CB 3.16Å; I25-L29 WeakPolarHBondContact O-CG 3.26Å; I25-L29 PolarHBondContact O-N 2.95Å; I25-F35 HydrophobicContact CB-CZ 4.16Å; I25-F35 HydrophobicContact CD1-CE1 4.4Å; I25-F35 HydrophobicContact CD1-CZ 4.25Å; I25-F35 HydrophobicContact CG2-CZ 3.9Å; I25-L49 HydrophobicContact CD1-CB 4.26Å; I25-L49 HydrophobicContact CG1-CB 4.34Å; I25-L49 HydrophobicContact CG1-CD1 3.69Å; I25-F52 HydrophobicContact CD1-CB 4.44Å; I25-F52 HydrophobicContact CG1-CB 4.4Å; I25-F52 HydrophobicContact CG1-CD1 4.17Å; I25-F52 HydrophobicContact CG1-CG 4.24Å; I25-F52 HydrophobicContact CG2-CD2 4.39Å; I25-F52 HydrophobicContact CG2-CE2 4.44Å; I25-F52 HydrophobicContact CG2-CG 4.45Å
26E84.6Confident79.3Confident51 Ų5174.8 Ų74.824%0.23841%0.41CS..Hα-helixtrans-57.1-41.8177.7-76-169.3151.600111.9M22 I24 L29 G30 K31 K32 T33 F35M22-E26 WeakPolarHBondContact O-CB 3.39Å; M22-E26 WeakPolarHBondContact O-CG 3.37Å; M22-E26 PolarHBondContact O-N 3.4Å; I24-E26 PolarHBondContact O-N 2.93Å; E26-L29 PolarHBondContact O-N 3.04Å; E26-G30 PolarHBondContact O-N 3.32Å; E26-K31 WeakPolarHBondContact CA-O 3.33Å; E26-K31 PolarHBondContact O-N 3.32Å; E26-K32 VanDerWaalsContact OE1-CA 3.29Å; E26-K32 WeakPolarHBondContact OE1-CA 3.14Å; E26-T33 VanDerWaalsContact CG-OG1 3.27Å; E26-T33 WeakPolarHBondContact CG-OG1 3.46Å; E26-T33 PolarHBondContact OE1-N 3.34Å; E26-F35 HydrophobicContact CG-CE2 4.39Å
27R83.5Confident78.2Confident169 Ų16970 Ų7064%0.63840%0.402SS*.Hα-helixtrans-71.5-35.5-179.7-165.6154.8-175.3164.2-0.5112.6L14 E23 I24 I25L14-R27 HydrophobicContact CD1-CB 4.24Å; L14-R27 HydrophobicContact CD1-CG 4.25Å; E23-R27 VanDerWaalsContact O-CB 3.23Å; E23-R27 WeakPolarHBondContact O-CB 3.46Å; E23-R27 PolarHBondContact O-N 3.29Å; I24-R27 PolarHBondContact O-N 2.92Å; I25-R27 VanDerWaalsContact C-N 3.26Å; I25-R27 PolarHBondContact O-N 3.35Å
28L79.8Confident76.6Confident33 Ų3370.7 Ų70.717%0.17341%0.407CS..Hα-helixtrans-72.1-35174-68.9173.7000112.2M10 A11 I24 I25 L49 F52 L53M10-L28 HydrophobicContact CB-CD2 4.1Å; A11-L28 HydrophobicContact CB-CD1 4.23Å; I24-L28 HydrophobicContact CG2-CD1 3.89Å; I24-L28 HydrophobicContact CG2-CG 4.34Å; I24-L28 VanDerWaalsContact O-CG 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 3.09Å; I25-L28 PolarHBondContact O-N 3.37Å; L28-L49 HydrophobicContact CD1-CD1 4.4Å; L28-F52 HydrophobicContact CB-CE1 3.77Å; L28-F52 HydrophobicContact CB-CZ 4.31Å; L28-F52 HydrophobicContact CD1-CD1 4.19Å; L28-F52 HydrophobicContact CD1-CE1 3.78Å; L28-F52 HydrophobicContact CG-CE1 4.45Å; L28-L53 HydrophobicContact CD1-CD2 3.67Å
29L76.2Confident75.3Confident61 Ų6170 Ų7032%0.31939%0.392SS..Hα-helixtrans-77.9-20.8176.3-75.1176.8000113.4I25 E26 K31 T33 F52I25-L29 HydrophobicContact CG2-CD1 3.59Å; I25-L29 HydrophobicContact CG2-CG 4.13Å; I25-L29 WeakPolarHBondContact O-CB 3.16Å; I25-L29 WeakPolarHBondContact O-CG 3.26Å; I25-L29 PolarHBondContact O-N 2.95Å; E26-L29 PolarHBondContact O-N 3.04Å; L29-K31 HydrophobicContact CB-CG 4.08Å; L29-K31 PolarHBondContact O-N 2.92Å; L29-T33 HydrophobicContact CD1-CG2 3.93Å; L29-F52 HydrophobicContact CD1-CE2 4.33Å; L29-F52 HydrophobicContact CD2-CE2 3.61Å; L29-F52 HydrophobicContact CD2-CZ 3.64Å; L29-F52 HydrophobicContact CG-CE2 3.91Å; L29-F52 HydrophobicContact CG-CZ 3.74Å
30G76.8Confident74.3Confident73 Ų7371.4 Ų71.475%0.75340%0.404SS*.THydrogen-bonded Turntrans69.514.5-174.900000114.3E26E26-G30 PolarHBondContact O-N 3.32Å
31K75.8Confident73.7Confident136 Ų13676.2 Ų76.259%0.59143%0.425SS*.SBendtrans-144.2148.7178.763.3-178-179.6-177.60110.4E26 L29E26-K31 WeakPolarHBondContact CA-O 3.33Å; E26-K31 PolarHBondContact O-N 3.32Å; L29-K31 HydrophobicContact CB-CG 4.08Å; L29-K31 PolarHBondContact O-N 2.92Å
32K74.1Confident73.3Confident188 Ų18878.7 Ų78.782%0.81744%0.44SS*.  trans-66.2138.6171-79.2-168171.3-172.80110.3E26E26-K32 VanDerWaalsContact OE1-CA 3.29Å; E26-K32 WeakPolarHBondContact OE1-CA 3.14Å
33T66.1Low73.2Confident40 Ų4089 Ų8925%0.24548%0.478CS..  trans-124.4128.2-179.215.90000109.4E26 L29 F35E26-T33 VanDerWaalsContact CG-OG1 3.27Å; E26-T33 WeakPolarHBondContact CG-OG1 3.46Å; E26-T33 PolarHBondContact OE1-N 3.34Å; L29-T33 HydrophobicContact CD1-CG2 3.93Å; T33-F35 VanDerWaalsContact O-CD2 3.23Å; T33-F35 WeakPolarHBondContact O-CD2 3.31Å; T33-F35 WeakPolarHBondContact O-CE2 3.48Å; T33-F35 PolarHBondContact O-N 2.96Å; T33-F35 WeakPolarHBondContact OG1-CE2 3.36Å; T33-F35 WeakPolarHBondContact OG1-CZ 3.34Å
34V66.8Low72.8Confident148 Ų14893 Ų9390%0.89750%0.499SS*.  trans-82114.8176.2-178.50000108.2
35F63.9Low72.5Confident65 Ų6593 Ų9329%0.28550%0.5SS..  trans-103.3131.3175.7-61.2-82.2000110.4M22 I25 E26 T33 V39M22-F35 HydrophobicContact CB-CD2 3.81Å; M22-F35 HydrophobicContact CB-CE2 3.61Å; M22-F35 HydrophobicContact CB-CZ 4.34Å; M22-F35 HydrophobicContact CE-CB 3.58Å; M22-F35 HydrophobicContact CE-CD1 3.08Å; M22-F35 HydrophobicContact CE-CD2 3.82Å; M22-F35 HydrophobicContact CE-CE1 3.57Å; M22-F35 HydrophobicContact CE-CE2 4.24Å; M22-F35 HydrophobicContact CE-CG 3.21Å; M22-F35 HydrophobicContact CE-CZ 4.12Å; M22-F35 HydrophobicContact CG-CD2 3.67Å; M22-F35 HydrophobicContact CG-CE2 3.81Å; M22-F35 HydrophobicContact CG-CG 4.07Å; M22-F35 HydrophobicContact CG-CZ 4.31Å; M22-F35 HydrophobicContact SD-CB 4.48Å; M22-F35 HydrophobicContact SD-CD1 3.53Å; M22-F35 VanDerWaalsContact SD-CD1 3.53Å; M22-F35 HydrophobicContact SD-CD2 3.59Å; M22-F35 VanDerWaalsContact SD-CD2 3.59Å; M22-F35 HydrophobicContact SD-CE1 3.38Å; M22-F35 WeakPolarHBondContact SD-CE1 3.27Å; M22-F35 HydrophobicContact SD-CE2 3.46Å; M22-F35 WeakPolarHBondContact SD-CE2 3.44Å; M22-F35 HydrophobicContact SD-CG 3.61Å; M22-F35 HydrophobicContact SD-CZ 3.35Å; M22-F35 WeakPolarHBondContact SD-CZ 3.39Å; I25-F35 HydrophobicContact CB-CZ 4.16Å; I25-F35 HydrophobicContact CD1-CE1 4.4Å; I25-F35 HydrophobicContact CD1-CZ 4.25Å; I25-F35 HydrophobicContact CG2-CZ 3.9Å; E26-F35 HydrophobicContact CG-CE2 4.39Å; T33-F35 VanDerWaalsContact O-CD2 3.23Å; T33-F35 WeakPolarHBondContact O-CD2 3.31Å; T33-F35 WeakPolarHBondContact O-CE2 3.48Å; T33-F35 PolarHBondContact O-N 2.96Å; T33-F35 WeakPolarHBondContact OG1-CE2 3.36Å; T33-F35 WeakPolarHBondContact OG1-CZ 3.34Å; F35-V39 HydrophobicContact CB-CB 4.28Å; F35-V39 HydrophobicContact CB-CG1 4.05Å; F35-V39 HydrophobicContact CB-CG2 3.86Å
36T60.4Low72.6Confident143 Ų14397 Ų9788%0.87751%0.514SS*.  trans-88.8105.617852.90000110.4
37G61.4Low72.5Confident60 Ų60100.4 Ų100.462%0.61953%0.528SS*.SBendtrans139.5-179.6173.400000114.4V39G37-V39 VanDerWaalsContact O-CG2 3.28Å; G37-V39 WeakPolarHBondContact O-CG2 3.31Å; G37-V39 PolarHBondContact O-N 3.28Å
38A54.2Low72.2Confident92 Ų9294.1 Ų94.176%0.7651%0.512SS*.SBendtrans-77.897169.300000109T42A38-T42 WeakPolarHBondContact O-CG2 3.42Å
39V59.3Low72.3Confident36 Ų3692.8 Ų92.822%0.21851%0.505CS..  trans-115.43.5-158.2-82.50000116M22 F35 G37 A45M22-V39 HydrophobicContact CE-CB 3.45Å; M22-V39 VanDerWaalsContact CE-CB 3.45Å; M22-V39 HydrophobicContact CE-CG1 3.37Å; M22-V39 HydrophobicContact CE-CG2 4.25Å; M22-V39 HydrophobicContact CG-CB 3.85Å; M22-V39 HydrophobicContact CG-CG2 4.16Å; M22-V39 WeakPolarHBondContact CG-O 3.35Å; F35-V39 HydrophobicContact CB-CB 4.28Å; F35-V39 HydrophobicContact CB-CG1 4.05Å; F35-V39 HydrophobicContact CB-CG2 3.86Å; G37-V39 VanDerWaalsContact O-CG2 3.28Å; G37-V39 WeakPolarHBondContact O-CG2 3.31Å; G37-V39 PolarHBondContact O-N 3.28Å; V39-A45 WeakPolarHBondContact O-CB 3.37Å
40D65.9Low72.6Confident102 Ų10295.5 Ų95.555%0.54552%0.516SS..SBendtrans-97123.6178.2-64.9-29.1000111.3C20 T42C20-D40 HydrophobicContact CB-CB 4.16Å; C20-D40 PolarHBondContact SG-OD1 3.46Å; D40-T42 PolarHBondContact O-N 3.05Å
41H74.9Confident72.6Confident105 Ų10596.7 Ų96.749%0.48650%0.502SS..SBendtrans58.76.3178.2-58.9-81.2000117.8C20C20-H41 WeakPolarHBondContact CB-NE2 3.37Å
42T78.8Confident72.6Confident52 Ų5292 Ų9232%0.31948%0.482SS..  trans-68.8153.3175.165.70000111.4A38 D40 M44 A45 W46A38-T42 WeakPolarHBondContact O-CG2 3.42Å; D40-T42 PolarHBondContact O-N 3.05Å; T42-M44 PolarHBondContact O-N 3.41Å; T42-A45 WeakPolarHBondContact O-CB 3.36Å; T42-A45 PolarHBondContact O-N 2.92Å; T42-A45 WeakPolarHBondContact OG1-CB 2.75Å; T42-A45 PolarHBondContact OG1-N 2.94Å; T42-W46 VanDerWaalsContact O-CD1 3.3Å; T42-W46 PolarHBondContact O-N 3.23Å
43R80.3Confident72.8Confident231 Ų23184.2 Ų84.287%0.87245%0.449SS*.Hα-helixtrans-54.8-34.7173.8-174179.1178.3-175.90.1111.8K47R43-K47 WeakPolarHBondContact O-CB 3.14Å; R43-K47 PolarHBondContact O-N 2.79Å
44M77.4Confident73.1Confident159 Ų15988.4 Ų88.478%0.78347%0.466SS*.Hα-helixtrans-65.8-42.6175.9-68.4-179.767.800112T42 K47 A48T42-M44 PolarHBondContact O-N 3.41Å; M44-K47 PolarHBondContact O-N 3.45Å; M44-A48 PolarHBondContact O-N 3.1Å
45A79.5Confident73.1Confident2 Ų286.9 Ų86.92%0.01745%0.451CS..Hα-helixtrans-65.1-40.6177.100000112.3P21 V39 T42 K47 A48 L49P21-A45 HydrophobicContact CB-CB 3.91Å; P21-A45 VanDerWaalsContact CB-O 3.3Å; P21-A45 WeakPolarHBondContact CB-O 3.31Å; P21-A45 HydrophobicContact CG-CB 3.83Å; V39-A45 WeakPolarHBondContact O-CB 3.37Å; T42-A45 WeakPolarHBondContact O-CB 3.36Å; T42-A45 PolarHBondContact O-N 2.92Å; T42-A45 WeakPolarHBondContact OG1-CB 2.75Å; T42-A45 PolarHBondContact OG1-N 2.94Å; A45-K47 VanDerWaalsContact C-N 3.34Å; A45-A48 PolarHBondContact O-N 3.42Å; A45-L49 PolarHBondContact O-N 3.46Å
46W84.5Confident73.1Confident90 Ų9086 Ų8634%0.34145%0.452SS..Hα-helixtrans-65-38.1173.6-74.6108.5000112.5A15 P21 I24 T42 L49 Q50A15-W46 HydrophobicContact CB-CH2 3.61Å; A15-W46 HydrophobicContact CB-CZ3 3.86Å; P21-W46 HydrophobicContact CB-CD2 4.44Å; P21-W46 HydrophobicContact CB-CE3 4.42Å; P21-W46 HydrophobicContact CG-CB 4.44Å; P21-W46 HydrophobicContact CG-CD2 3.38Å; P21-W46 VanDerWaalsContact CG-CE2 3.43Å; P21-W46 HydrophobicContact CG-CE3 3.74Å; P21-W46 HydrophobicContact CG-CG 3.72Å; P21-W46 HydrophobicContact CG-CH2 4.1Å; P21-W46 HydrophobicContact CG-CZ2 3.81Å; P21-W46 HydrophobicContact CG-CZ3 4.08Å; I24-W46 HydrophobicContact CD1-CH2 3.99Å; I24-W46 HydrophobicContact CD1-CZ3 4.02Å; T42-W46 VanDerWaalsContact O-CD1 3.3Å; T42-W46 PolarHBondContact O-N 3.23Å; W46-L49 HydrophobicContact CE3-CD2 3.82Å; W46-L49 HydrophobicContact CZ3-CD2 3.6Å; W46-L49 PolarHBondContact O-N 2.84Å; W46-Q50 WeakPolarHBondContact O-CB 3.38Å; W46-Q50 PolarHBondContact O-N 3.16Å
47K81.9Confident73.3Confident124 Ų12480.7 Ų80.754%0.53942%0.419SS..Hα-helixtrans-62.6-44.1173.3-169.2-175.3-177.5-149.80111.1R43 M44 A45 L49 Q50 E51R43-K47 WeakPolarHBondContact O-CB 3.14Å; R43-K47 PolarHBondContact O-N 2.79Å; M44-K47 PolarHBondContact O-N 3.45Å; A45-K47 VanDerWaalsContact C-N 3.34Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-L49 PolarHBondContact O-N 2.87Å; K47-Q50 WeakPolarHBondContact O-CB 3.13Å; K47-Q50 PolarHBondContact O-N 3.26Å; K47-Q50 VanDerWaalsContact O-N 3.13Å; K47-E51 WeakPolarHBondContact CE-OE1 3.35Å; K47-E51 IonicContact NZ-OE1 3.61Å; K47-E51 PolarHBondContact NZ-OE1 3.17Å; K47-E51 WeakPolarHBondContact O-CG 3.44Å; K47-E51 PolarHBondContact O-N 3.22Å
48A78.7Confident73.5Confident36 Ų3683.5 Ų83.530%0.29843%0.426SS..Hα-helixtrans-61.4-40.5176.100000112.2M44 A45 E51 F52M44-A48 PolarHBondContact O-N 3.1Å; A45-A48 PolarHBondContact O-N 3.42Å; A48-E51 PolarHBondContact O-N 2.98Å; A48-F52 VanDerWaalsContact O-CB 3.28Å; A48-F52 WeakPolarHBondContact O-CB 3.32Å; A48-F52 PolarHBondContact O-N 3.17Å
49L82Confident74.6Confident6 Ų679.8 Ų79.83%0.03139%0.393CS..Hα-helixtrans-63.8-42.7172.2173.465.6000111.5A11 P21 I24 I25 L28 A45 W46 K47 E51 F52 L53A11-L49 HydrophobicContact CB-CD1 4.49Å; P21-L49 HydrophobicContact CB-CB 3.99Å; P21-L49 HydrophobicContact CB-CD2 4.3Å; I24-L49 HydrophobicContact CB-CD1 4.17Å; I24-L49 HydrophobicContact CB-CD2 4.14Å; I24-L49 HydrophobicContact CD1-CD2 3.78Å; I24-L49 HydrophobicContact CG2-CD1 3.61Å; I24-L49 HydrophobicContact CG2-CD2 3.95Å; I24-L49 HydrophobicContact CG2-CG 4.46Å; I25-L49 HydrophobicContact CD1-CB 4.26Å; I25-L49 HydrophobicContact CG1-CB 4.34Å; I25-L49 HydrophobicContact CG1-CD1 3.69Å; L28-L49 HydrophobicContact CD1-CD1 4.4Å; A45-L49 PolarHBondContact O-N 3.46Å; W46-L49 HydrophobicContact CE3-CD2 3.82Å; W46-L49 HydrophobicContact CZ3-CD2 3.6Å; W46-L49 PolarHBondContact O-N 2.84Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-L49 PolarHBondContact O-N 2.87Å; L49-E51 VanDerWaalsContact C-N 3.35Å; L49-E51 PolarHBondContact O-N 3.46Å; L49-F52 HydrophobicContact CD1-CD1 4.44Å; L49-F52 WeakPolarHBondContact O-CB 3.29Å; L49-F52 PolarHBondContact O-N 2.63Å; L49-L53 HydrophobicContact CD1-CD1 4.01Å; L49-L53 HydrophobicContact CD1-CD2 4.39Å; L49-L53 HydrophobicContact CD1-CG 3.91Å; L49-L53 HydrophobicContact CG-CD1 3.92Å; L49-L53 HydrophobicContact CG-CG 4.25Å; L49-L53 WeakPolarHBondContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 2.84Å
50Q82.6Confident75.6Confident118 Ų11883.7 Ų83.755%0.55142%0.417SS*.Hα-helixtrans-62.8-42.9177.9-171.7179.81.700111.6W46 K47 L53 Q54W46-Q50 WeakPolarHBondContact O-CB 3.38Å; W46-Q50 PolarHBondContact O-N 3.16Å; K47-Q50 WeakPolarHBondContact O-CB 3.13Å; K47-Q50 PolarHBondContact O-N 3.26Å; K47-Q50 VanDerWaalsContact O-N 3.13Å; Q50-L53 PolarHBondContact O-N 3.31Å; Q50-Q54 WeakPolarHBondContact O-CG 3.42Å; Q50-Q54 PolarHBondContact O-N 2.95Å
51E75.2Confident76.4Confident98 Ų9880.7 Ų80.746%0.45840%0.403SS..Hα-helixtrans-61.5-46.3173.4-72.5171.5-174.700110.4K47 A48 L49 L53 Q54 M55K47-E51 WeakPolarHBondContact CE-OE1 3.35Å; K47-E51 IonicContact NZ-OE1 3.61Å; K47-E51 PolarHBondContact NZ-OE1 3.17Å; K47-E51 WeakPolarHBondContact O-CG 3.44Å; K47-E51 PolarHBondContact O-N 3.22Å; A48-E51 PolarHBondContact O-N 2.98Å; L49-E51 VanDerWaalsContact C-N 3.35Å; L49-E51 PolarHBondContact O-N 3.46Å; E51-L53 PolarHBondContact O-N 3.49Å; E51-Q54 WeakPolarHBondContact O-CB 3.33Å; E51-Q54 PolarHBondContact O-N 3.21Å; E51-Q54 VanDerWaalsContact O-N 3.09Å; E51-M55 WeakPolarHBondContact O-CG 3.34Å; E51-M55 PolarHBondContact O-N 3.19Å; E51-M55 VanDerWaalsContact O-N 3.12Å
52F77.1Confident76.7Confident36 Ų3679.5 Ų79.516%0.15840%0.4CS..Hα-helixtrans-59.3-43176.1177.1-97.7000112.9I25 L28 L29 A48 L49 Q54 M55I25-F52 HydrophobicContact CD1-CB 4.44Å; I25-F52 HydrophobicContact CG1-CB 4.4Å; I25-F52 HydrophobicContact CG1-CD1 4.17Å; I25-F52 HydrophobicContact CG1-CG 4.24Å; I25-F52 HydrophobicContact CG2-CD2 4.39Å; I25-F52 HydrophobicContact CG2-CE2 4.44Å; I25-F52 HydrophobicContact CG2-CG 4.45Å; L28-F52 HydrophobicContact CB-CE1 3.77Å; L28-F52 HydrophobicContact CB-CZ 4.31Å; L28-F52 HydrophobicContact CD1-CD1 4.19Å; L28-F52 HydrophobicContact CD1-CE1 3.78Å; L28-F52 HydrophobicContact CG-CE1 4.45Å; L29-F52 HydrophobicContact CD1-CE2 4.33Å; L29-F52 HydrophobicContact CD2-CE2 3.61Å; L29-F52 HydrophobicContact CD2-CZ 3.64Å; L29-F52 HydrophobicContact CG-CE2 3.91Å; L29-F52 HydrophobicContact CG-CZ 3.74Å; A48-F52 VanDerWaalsContact O-CB 3.28Å; A48-F52 WeakPolarHBondContact O-CB 3.32Å; A48-F52 PolarHBondContact O-N 3.17Å; L49-F52 HydrophobicContact CD1-CD1 4.44Å; L49-F52 WeakPolarHBondContact O-CB 3.29Å; L49-F52 PolarHBondContact O-N 2.63Å; F52-Q54 PolarHBondContact O-N 3.4Å; F52-M55 VanDerWaalsContact O-CB 3.3Å; F52-M55 WeakPolarHBondContact O-CB 3.37Å; F52-M55 PolarHBondContact O-N 3.27Å
53L77.4Confident77.1Confident26 Ų2680.4 Ų80.414%0.13640%0.399CS..Hα-helixtrans-67.5-21.7178-71.1172.9000113.1Q7 A11 L28 L49 Q50 E51Q7-L53 HydrophobicContact CB-CD2 3.99Å; A11-L53 HydrophobicContact CB-CD1 3.56Å; A11-L53 HydrophobicContact CB-CD2 3.71Å; A11-L53 HydrophobicContact CB-CG 4.2Å; L28-L53 HydrophobicContact CD1-CD2 3.67Å; L49-L53 HydrophobicContact CD1-CD1 4.01Å; L49-L53 HydrophobicContact CD1-CD2 4.39Å; L49-L53 HydrophobicContact CD1-CG 3.91Å; L49-L53 HydrophobicContact CG-CD1 3.92Å; L49-L53 HydrophobicContact CG-CG 4.25Å; L49-L53 WeakPolarHBondContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 2.84Å; Q50-L53 PolarHBondContact O-N 3.31Å; E51-L53 PolarHBondContact O-N 3.49Å
54Q73.3Confident76.8Confident127 Ų12776.4 Ų76.459%0.59340%0.395SS*.Hα-helixtrans-85.9-13.4171.9-68.5176.78.500112.1Q50 E51 F52Q50-Q54 WeakPolarHBondContact O-CG 3.42Å; Q50-Q54 PolarHBondContact O-N 2.95Å; E51-Q54 WeakPolarHBondContact O-CB 3.33Å; E51-Q54 PolarHBondContact O-N 3.21Å; E51-Q54 VanDerWaalsContact O-N 3.09Å; F52-Q54 PolarHBondContact O-N 3.4Å
55M66.8Low76.3Confident117 Ų11769.7 Ų69.758%0.57637%0.367SS*.SBendtrans-72.8127.1173.4-63.9-174.470.500109.7E51 F52E51-M55 WeakPolarHBondContact O-CG 3.34Å; E51-M55 PolarHBondContact O-N 3.19Å; E51-M55 VanDerWaalsContact O-N 3.12Å; F52-M55 VanDerWaalsContact O-CB 3.3Å; F52-M55 WeakPolarHBondContact O-CB 3.37Å; F52-M55 PolarHBondContact O-N 3.27Å
56P62.6Low76.1Confident47 Ų4773.6 Ų73.631%0.30540%0.399SS..PPolyproline II helixtrans-57.3142.9169.922.6-32.9000110.7D274P56-D274 HydrophobicContact CB-CB 4.16Å; P56-D274 WeakPolarHBondContact CB-O 3.43Å; P56-D274 HydrophobicContact CG-CB 3.35Å
57P65.2Low76.5Confident31 Ų3170.1 Ų70.120%0.20139%0.391CS..PPolyproline II helixtrans-60.9147.7179.925.3-34.1000110.9L3 R59L3-P57 HydrophobicContact CB-CG 4.27Å; L3-P57 HydrophobicContact CD1-CG 4.3Å; P57-R59 PolarHBondContact O-N 3.25Å
58P66.3Low77.1Confident118 Ų11865.2 Ų65.277%0.76637%0.371SS*.PPolyproline II helixtrans-57.7131.5177.322.4-30.8000110
59R76.8Confident77.9Confident14 Ų1466.9 Ų66.95%0.05338%0.379CS..PPolyproline II helixtrans-75.8134.5-177.9171.4167.2-170.1-100.47.5111.7P57 V280 T293 D295P57-R59 PolarHBondContact O-N 3.25Å; R59-V280 PolarHBondContact NH2-O 3.1Å; R59-V280 VanDerWaalsContact NH2-O 3.16Å; R59-T293 PolarHBondContact NH1-O 2.98Å; R59-D295 IonicContact CZ-OD1 3.55Å; R59-D295 IonicContact CZ-OD2 3.65Å; R59-D295 IonicContact NH1-OD1 3.68Å; R59-D295 PolarHBondContact NH1-OD1 3.47Å; R59-D295 IonicContact NH1-OD2 3.01Å; R59-D295 IonicContact NH2-OD1 3.05Å; R59-D295 PolarHBondContact NH2-OD1 2.82Å; R59-D295 IonicContact NH2-OD2 3.57Å; R59-D295 PolarHBondContact NH2-OD2 3.06Å
60T80.5Confident78.5Confident118 Ų11869.6 Ų69.672%0.72439%0.391SS*.PPolyproline II helixtrans-88.2132.9158.8-47.80000109.4
61P82.4Confident79.2Confident39 Ų3964 Ų6425%0.25337%0.365SS..PPolyproline II helixtrans-53.2139.5171.8-25.634.4000111.7F63 T293 D295P61-F63 VanDerWaalsContact C-N 3.25Å; P61-F63 PolarHBondContact O-N 3.5Å; P61-T293 HydrophobicContact CG-CG2 3.66Å; P61-D295 VanDerWaalsContact CA-OD1 3.32Å; P61-D295 WeakPolarHBondContact CA-OD1 3.41Å
62L82.3Confident80.3Confident80 Ų8059.5 Ų59.542%0.41935%0.345SS..SBendtrans-67.5-33175.3-71.5173.9000111.7L278 N279 P281 D295L62-L278 VanDerWaalsContact CD2-O 3.29Å; L62-L278 WeakPolarHBondContact CD2-O 3.25Å; L62-N279 WeakPolarHBondContact CD1-O 3.12Å; L62-P281 HydrophobicContact CD1-CG 4.26Å; L62-D295 PolarHBondContact N-OD1 3.47Å
63F85.5Confident81.2Confident71 Ų7163.3 Ų63.331%0.31136%0.363SS..  trans-159.1158.117650.7-86.3000107.1P61 G65 L74 P281 D295 I296P61-F63 VanDerWaalsContact C-N 3.25Å; P61-F63 PolarHBondContact O-N 3.5Å; F63-G65 PolarHBondContact O-N 3.02Å; F63-L74 HydrophobicContact CZ-CD1 4.12Å; F63-L74 HydrophobicContact CZ-CD2 4.19Å; F63-P281 HydrophobicContact CE1-CB 4.28Å; F63-P281 HydrophobicContact CE1-CG 4.32Å; F63-P281 HydrophobicContact CZ-CB 4.25Å; F63-D295 HydrophobicContact CD2-CB 4.32Å; F63-D295 HydrophobicContact CE1-CB 4.36Å; F63-D295 HydrophobicContact CE2-CB 3.96Å; F63-D295 HydrophobicContact CZ-CB 3.97Å; F63-I296 HydrophobicContact CE2-CD1 4.08Å; F63-I296 HydrophobicContact CE2-CG1 4.11Å
64N73.8Confident82.1Confident147 Ų14762.3 Ų62.379%0.78636%0.358SS*.  trans-96.390.9170.3-73.9-15.6000107.5
65G68Low83.3Confident19 Ų1956.3 Ų56.320%0.19633%0.33CS..  trans-77.1147.9-173.600000113.6F63 G67 E70 D295F63-G65 PolarHBondContact O-N 3.02Å; G65-G67 PolarHBondContact O-N 2.76Å; G65-E70 WeakPolarHBondContact CA-OE2 3.19Å; G65-D295 PolarHBondContact N-O 2.96Å
66A75.2Confident84.8Confident83 Ų8354.9 Ų54.969%0.68632%0.323SS*.  trans-95.529.3-166.800000115.2E70A66-E70 VanDerWaalsContact CB-OE1 3.31Å; A66-E70 WeakPolarHBondContact CB-OE1 3.42Å; A66-E70 PolarHBondContact N-OE1 2.81Å; A66-E70 PolarHBondContact N-OE2 3.02Å
67G91.9Very high86.4Confident17 Ų1760.2 Ų60.218%0.17534%0.337CS..SBendtrans107.6-155168.200000115.4G65 E70 V71G65-G67 PolarHBondContact O-N 2.76Å; G67-E70 PolarHBondContact O-N 3.16Å; G67-V71 PolarHBondContact O-N 2.77Å
68L95.6Very high88Confident21 Ų2159 Ų5911%0.1133%0.329CS..Hα-helixtrans-56.5-39.8-168.7-75.5172.6000115.6E70 V71 A72 I298 A305 Q308 L309 M312L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 2.68Å; L68-V71 WeakPolarHBondContact O-CB 3.38Å; L68-V71 PolarHBondContact O-N 3.5Å; L68-V71 VanDerWaalsContact O-N 3.16Å; L68-A72 PolarHBondContact O-N 2.7Å; L68-I298 HydrophobicContact CD2-CD1 4.16Å; L68-I298 HydrophobicContact CD2-CG1 4.13Å; L68-I298 HydrophobicContact CD2-CG2 3.91Å; L68-I298 HydrophobicContact CG-CD1 4.14Å; L68-I298 HydrophobicContact CG-CG2 4.31Å; L68-A305 HydrophobicContact CD2-CB 4.27Å; L68-Q308 HydrophobicContact CD1-CB 3.83Å; L68-Q308 HydrophobicContact CD1-CG 4.38Å; L68-L309 HydrophobicContact CD2-CD1 4.36Å; L68-L309 HydrophobicContact CD2-CD2 3.81Å; L68-L309 HydrophobicContact CD2-CG 3.86Å; L68-M312 HydrophobicContact CB-CE 3.87Å; L68-M312 HydrophobicContact CB-SD 3.99Å
69P95.3Very high89.5Confident72 Ų7260.4 Ų60.447%0.46832%0.323SS..Hα-helixtrans-59.6-37.8178.8-26.936.2000113.4A72 Q73 M312P69-A72 PolarHBondContact O-N 3.5Å; P69-Q73 WeakPolarHBondContact O-CG 3.49Å; P69-Q73 PolarHBondContact O-N 3.14Å; P69-Q73 VanDerWaalsContact O-N 3.1Å; P69-M312 HydrophobicContact CB-SD 4.43Å; P69-M312 HydrophobicContact CG-CE 4.16Å; P69-M312 HydrophobicContact CG-SD 4.13Å
70E95.6Very high90.5Very high63 Ų6364.2 Ų64.229%0.29434%0.337SS..Hα-helixtrans-73.3-38.3176.9-70.6177-162.100111.5G65 A66 G67 L68 A72 Q73 L74 I296G65-E70 WeakPolarHBondContact CA-OE2 3.19Å; A66-E70 VanDerWaalsContact CB-OE1 3.31Å; A66-E70 WeakPolarHBondContact CB-OE1 3.42Å; A66-E70 PolarHBondContact N-OE1 2.81Å; A66-E70 PolarHBondContact N-OE2 3.02Å; G67-E70 PolarHBondContact O-N 3.16Å; L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 2.68Å; E70-A72 VanDerWaalsContact C-N 3.29Å; E70-A72 PolarHBondContact O-N 3.17Å; E70-Q73 PolarHBondContact O-N 3.47Å; E70-L74 VanDerWaalsContact O-CG 3.31Å; E70-L74 WeakPolarHBondContact O-CG 3.49Å; E70-L74 PolarHBondContact O-N 3.22Å; E70-I296 HydrophobicContact CB-CD1 3.85Å
71V97.3Very high91.4Very high0 Ų058.6 Ų58.60%030%0.303CS..Hα-helixtrans-58.2-44172179.10000110.6G67 L68 Q73 L74 I75 V283 I296 I298 L309G67-V71 PolarHBondContact O-N 2.77Å; L68-V71 WeakPolarHBondContact O-CB 3.38Å; L68-V71 PolarHBondContact O-N 3.5Å; L68-V71 VanDerWaalsContact O-N 3.16Å; V71-Q73 PolarHBondContact O-N 3.47Å; V71-L74 WeakPolarHBondContact O-CB 3.47Å; V71-L74 PolarHBondContact O-N 3.49Å; V71-I75 HydrophobicContact CG1-CD1 3.9Å; V71-I75 HydrophobicContact CG1-CG1 4.46Å; V71-I75 WeakPolarHBondContact O-CG1 3.37Å; V71-I75 PolarHBondContact O-N 2.91Å; V71-V283 HydrophobicContact CG1-CG1 4.11Å; V71-V283 HydrophobicContact CG2-CG1 3.71Å; V71-V283 HydrophobicContact CG2-CG2 4.26Å; V71-I296 HydrophobicContact CG2-CB 4.25Å; V71-I296 HydrophobicContact CG2-CD1 3.74Å; V71-I296 HydrophobicContact CG2-CG2 3.82Å; V71-I298 HydrophobicContact CG2-CD1 4.11Å; V71-I298 HydrophobicContact CG2-CG1 4.03Å; V71-L309 HydrophobicContact CB-CD2 3.95Å; V71-L309 HydrophobicContact CG1-CD1 4.14Å; V71-L309 HydrophobicContact CG1-CD2 3.77Å
72A97.2Very high92.2Very high3 Ų356.8 Ų56.83%0.02529%0.291CS..Hα-helixtrans-59-45.8175.200000111.4L68 P69 E70 L74 I75 M76 L309 M312 M313L68-A72 PolarHBondContact O-N 2.7Å; P69-A72 PolarHBondContact O-N 3.5Å; E70-A72 VanDerWaalsContact C-N 3.29Å; E70-A72 PolarHBondContact O-N 3.17Å; A72-L74 PolarHBondContact O-N 3.29Å; A72-I75 PolarHBondContact O-N 3.3Å; A72-M76 WeakPolarHBondContact O-CB 3.15Å; A72-M76 VanDerWaalsContact O-CG 3.29Å; A72-M76 WeakPolarHBondContact O-CG 3.26Å; A72-M76 PolarHBondContact O-N 3.3Å; A72-L309 HydrophobicContact CB-CD2 4.02Å; A72-M312 HydrophobicContact CB-CB 3.94Å; A72-M312 HydrophobicContact CB-SD 4.43Å; A72-M313 HydrophobicContact CB-CG 3.98Å
73Q96.2Very high93Very high117 Ų11753 Ų5355%0.54727%0.271SS..Hα-helixtrans-61.9-41.3175.5-70.5-179.613.600112.8P69 E70 V71 M76 R77P69-Q73 WeakPolarHBondContact O-CG 3.49Å; P69-Q73 PolarHBondContact O-N 3.14Å; P69-Q73 VanDerWaalsContact O-N 3.1Å; E70-Q73 PolarHBondContact O-N 3.47Å; V71-Q73 PolarHBondContact O-N 3.47Å; Q73-M76 HydrophobicContact CG-CE 4.16Å; Q73-M76 PolarHBondContact O-N 2.92Å; Q73-R77 WeakPolarHBondContact O-CG 3.34Å; Q73-R77 PolarHBondContact O-N 3.48Å
74L97.1Very high93.6Very high5 Ų549.6 Ų49.63%0.02626%0.256CS..Hα-helixtrans-58.2-48.1174.4-70.3177.9000110.9F63 E70 V71 A72 R77 S78 L256 P281 V283 I296F63-L74 HydrophobicContact CZ-CD1 4.12Å; F63-L74 HydrophobicContact CZ-CD2 4.19Å; E70-L74 VanDerWaalsContact O-CG 3.31Å; E70-L74 WeakPolarHBondContact O-CG 3.49Å; E70-L74 PolarHBondContact O-N 3.22Å; V71-L74 WeakPolarHBondContact O-CB 3.47Å; V71-L74 PolarHBondContact O-N 3.49Å; A72-L74 PolarHBondContact O-N 3.29Å; L74-R77 WeakPolarHBondContact O-CG 3.36Å; L74-R77 PolarHBondContact O-N 2.91Å; L74-S78 WeakPolarHBondContact O-CB 3.3Å; L74-S78 PolarHBondContact O-N 3.48Å; L74-S78 PolarHBondContact O-OG 2.94Å; L74-L256 HydrophobicContact CB-CD1 4.24Å; L74-L256 HydrophobicContact CB-CD2 4.14Å; L74-L256 HydrophobicContact CD1-CD1 4.25Å; L74-P281 HydrophobicContact CD1-CB 4.33Å; L74-P281 HydrophobicContact CD2-CB 4.18Å; L74-P281 HydrophobicContact CD2-CG 4.21Å; L74-V283 HydrophobicContact CD1-CG2 3.7Å; L74-I296 HydrophobicContact CD1-CD1 3.97Å
75I98.1Very high94.6Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-65.4-42.4179.8-66170.6000110.8V71 A72 R77 S78 I81 F156 L160 K165 L256 L258 L309 M313V71-I75 HydrophobicContact CG1-CD1 3.9Å; V71-I75 HydrophobicContact CG1-CG1 4.46Å; V71-I75 WeakPolarHBondContact O-CG1 3.37Å; V71-I75 PolarHBondContact O-N 2.91Å; A72-I75 PolarHBondContact O-N 3.3Å; I75-R77 PolarHBondContact O-N 3.45Å; I75-S78 PolarHBondContact O-N 2.92Å; I75-I81 HydrophobicContact CG2-CD1 4.02Å; I75-F156 HydrophobicContact CD1-CE1 4.42Å; I75-F156 HydrophobicContact CD1-CZ 4.1Å; I75-F156 HydrophobicContact CG2-CZ 4.47Å; I75-L160 HydrophobicContact CG2-CD1 3.95Å; I75-L160 HydrophobicContact CG2-CD2 3.87Å; I75-K165 PolarHBondContact O-NZ 3.32Å; I75-K165 VanDerWaalsContact O-NZ 3.09Å; I75-L256 HydrophobicContact CG1-CD2 4.04Å; I75-L258 HydrophobicContact CD1-CD1 4.19Å; I75-L258 HydrophobicContact CG1-CD1 4.27Å; I75-L309 HydrophobicContact CD1-CD1 4.12Å; I75-M313 HydrophobicContact CB-CE 4.43Å; I75-M313 HydrophobicContact CB-SD 4.15Å; I75-M313 HydrophobicContact CG2-CE 3.59Å; I75-M313 HydrophobicContact CG2-SD 3.82Å
76M97.1Very high95.8Very high88 Ų8841.7 Ų41.743%0.43321%0.21SC..Hα-helixtrans-63-39.6179.4-74.2-171.6-66.500112.8A72 Q73 K165 M313A72-M76 WeakPolarHBondContact O-CB 3.15Å; A72-M76 VanDerWaalsContact O-CG 3.29Å; A72-M76 WeakPolarHBondContact O-CG 3.26Å; A72-M76 PolarHBondContact O-N 3.3Å; Q73-M76 HydrophobicContact CG-CE 4.16Å; Q73-M76 PolarHBondContact O-N 2.92Å; M76-K165 PolarHBondContact O-NZ 2.89Å; M76-M313 HydrophobicContact CG-CB 4.49Å; M76-M313 HydrophobicContact CG-CE 4.27Å; M76-M313 HydrophobicContact CG-CG 3.91Å; M76-M313 HydrophobicContact SD-CB 4.45Å; M76-M313 HydrophobicContact SD-CG 4.2Å
77R97.2Very high96.5Very high159 Ų15939.3 Ų39.360%0.619%0.19SC*.Hα-helixtrans-81.2-26.8-18075.1-172.3-170.6179.13.4114.2Q73 L74 I75Q73-R77 WeakPolarHBondContact O-CG 3.34Å; Q73-R77 PolarHBondContact O-N 3.48Å; L74-R77 WeakPolarHBondContact O-CG 3.36Å; L74-R77 PolarHBondContact O-N 2.91Å; I75-R77 PolarHBondContact O-N 3.45Å
78S98.3Very high96.2Very high5 Ų539.7 Ų39.74%0.03519%0.194CC..  trans-75.8149.2-175.2-59.70000112L74 I75 K165 D255 L256L74-S78 WeakPolarHBondContact O-CB 3.3Å; L74-S78 PolarHBondContact O-N 3.48Å; L74-S78 PolarHBondContact O-OG 2.94Å; I75-S78 PolarHBondContact O-N 2.92Å; S78-K165 PolarHBondContact O-NZ 3.45Å; S78-D255 WeakPolarHBondContact CB-OD1 3.48Å; S78-L256 WeakPolarHBondContact OG-CB 3.31Å
79K98.2Very high95.8Very high147 Ų14738.8 Ų38.864%0.63919%0.189SC*.SBendtrans-123-14.3-179.1-62.7-174.6-178.7-177.60112.9K165 D255K79-K165 CarbonylContact C-O 3.59Å; K79-D255 PolarHBondContact N-OD1 3.47Å; K79-D255 PolarHBondContact N-OD2 3.03Å
80R98.6Very high95.2Very high95 Ų9535.4 Ų35.436%0.35817%0.167SC..SBendtrans-137.466-173.7-67.2178.3-58.6-69.4-12108.8L167 R253 L254 D255R80-L167 HydrophobicContact CB-CB 4.17Å; R80-L167 HydrophobicContact CB-CD2 4.17Å; R80-R253 VanDerWaalsContact CD-O 3.32Å; R80-R253 WeakPolarHBondContact CD-O 3.45Å; R80-R253 PolarHBondContact NE-O 3.01Å; R80-L254 VanDerWaalsContact O-CA 3.27Å; R80-L254 WeakPolarHBondContact O-CA 3.43Å; R80-D255 WeakPolarHBondContact CA-OD1 3.14Å; R80-D255 IonicContact CZ-OD2 3.91Å; R80-D255 PolarHBondContact N-OD1 3.32Å; R80-D255 PolarHBondContact N-OD2 3.01Å; R80-D255 IonicContact NH1-OD2 3.87Å; R80-D255 IonicContact NH2-OD2 3.35Å; R80-D255 PolarHBondContact NH2-OD2 3.43Å; R80-D255 PolarHBondContact O-N 3.47Å
81I98.8Very high94Very high0 Ų034.8 Ų34.80%017%0.166CC..EExtended strand (participates in β ladder)trans-80.2124.1-177.1-54.6177000108.8I75 V83 L160 K165 L167 R168 L256 L258I75-I81 HydrophobicContact CG2-CD1 4.02Å; I81-V83 HydrophobicContact CG2-CG2 4.15Å; I81-L160 HydrophobicContact CD1-CD1 4.3Å; I81-K165 WeakPolarHBondContact CB-O 3.45Å; I81-K165 HydrophobicContact CD1-CB 4.09Å; I81-K165 WeakPolarHBondContact CG1-O 3.46Å; I81-K165 PolarHBondContact N-O 2.83Å; I81-L167 WeakPolarHBondContact O-CB 3.48Å; I81-L167 PolarHBondContact O-N 2.93Å; I81-R168 PolarHBondContact O-N 3.32Å; I81-L256 HydrophobicContact CD1-CD2 4.18Å; I81-L256 HydrophobicContact CG1-CB 4.29Å; I81-L256 HydrophobicContact CG1-CD2 4.12Å; I81-L256 HydrophobicContact CG2-CD2 4.26Å; I81-L256 HydrophobicContact CG2-CG 4.39Å; I81-L258 HydrophobicContact CG2-CD1 3.77Å; I81-L258 HydrophobicContact CG2-CG 3.91Å
82V98.8Very high92.3Very high0 Ų035.7 Ų35.70%017%0.172CC..EExtended strand (participates in β ladder)trans-98.5131.3166.91720000108.6L167 R168 Y170 D250 L254 L256 L257 L258V82-L167 HydrophobicContact CG2-CB 4.31Å; V82-L167 HydrophobicContact CG2-CD2 3.93Å; V82-L167 HydrophobicContact CG2-CG 4.33Å; V82-R168 WeakPolarHBondContact CA-O 3.29Å; V82-Y170 HydrophobicContact CG1-CD2 3.68Å; V82-Y170 HydrophobicContact CG1-CE2 3.8Å; V82-D250 HydrophobicContact CG2-CB 4.39Å; V82-L254 HydrophobicContact CB-CB 4.27Å; V82-L254 HydrophobicContact CB-CD1 3.92Å; V82-L254 HydrophobicContact CG2-CB 3.58Å; V82-L254 HydrophobicContact CG2-CD1 3.99Å; V82-L254 HydrophobicContact CG2-CG 4.41Å; V82-L256 PolarHBondContact N-O 3.29Å; V82-L257 HydrophobicContact CB-CD1 4.36Å; V82-L257 HydrophobicContact CG1-CD1 4.01Å; V82-L257 WeakPolarHBondContact O-CA 3.44Å; V82-L258 PolarHBondContact O-N 3.01Å
83V98.6Very high90.4Very high0 Ų043 Ų430%022%0.216CC..EExtended strand (participates in β ladder)trans-112.3130176.3-178.20000108.8I81 A85 F157 L166 R168 M169 Y170 L258 V260I81-V83 HydrophobicContact CG2-CG2 4.15Å; V83-A85 HydrophobicContact CG1-CB 4.5Å; V83-F157 HydrophobicContact CB-CE1 4.46Å; V83-F157 HydrophobicContact CG1-CD2 4.45Å; V83-F157 HydrophobicContact CG1-CE1 4.12Å; V83-F157 HydrophobicContact CG1-CE2 4.01Å; V83-F157 HydrophobicContact CG1-CZ 3.85Å; V83-F157 HydrophobicContact CG2-CD1 3.69Å; V83-F157 HydrophobicContact CG2-CE1 3.48Å; V83-F157 VanDerWaalsContact CG2-CE1 3.48Å; V83-F157 HydrophobicContact CG2-CG 4.47Å; V83-F157 HydrophobicContact CG2-CZ 4.08Å; V83-L166 HydrophobicContact CB-CD1 4.33Å; V83-L166 HydrophobicContact CG2-CD1 3.55Å; V83-R168 PolarHBondContact N-O 3.24Å; V83-M169 HydrophobicContact CB-CB 4.43Å; V83-M169 HydrophobicContact CB-CG 4.22Å; V83-M169 HydrophobicContact CG1-CG 4.3Å; V83-M169 CarbonylContact O-C 3.51Å; V83-M169 WeakPolarHBondContact O-CA 3.42Å; V83-Y170 PolarHBondContact O-N 3.49Å; V83-L258 CarbonylContact C-O 3.52Å; V83-L258 VanDerWaalsContact CA-O 3.29Å; V83-L258 WeakPolarHBondContact CA-O 3.45Å; V83-L258 HydrophobicContact CG2-CB 4.31Å; V83-L258 HydrophobicContact CG2-CD1 4.4Å; V83-V260 HydrophobicContact CG1-CG2 4.32Å
84V98.1Very high88.5Confident0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-107111.9166.1179.10000107.8Y170 L257 L258 V259 V260 L264 V269 I272V84-Y170 CarbonylContact C-O 3.55Å; V84-Y170 WeakPolarHBondContact CA-O 3.38Å; V84-L257 HydrophobicContact CG2-CD1 3.93Å; V84-L258 PolarHBondContact N-O 2.9Å; V84-V259 HydrophobicContact CB-CG2 4.26Å; V84-V259 WeakPolarHBondContact O-CA 3.49Å; V84-V260 PolarHBondContact O-N 3.37Å; V84-L264 HydrophobicContact CG1-CD2 4Å; V84-V269 HydrophobicContact CG1-CG1 3.77Å; V84-I272 HydrophobicContact CG2-CB 4.15Å; V84-I272 HydrophobicContact CG2-CD1 3.92Å; V84-I272 HydrophobicContact CG2-CG2 3.64Å
85A96.4Very high86.9Confident0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-107.3152.2-176.300000111.8V83 V89 M169 Y170 Q172 V260V83-A85 HydrophobicContact CG1-CB 4.5Å; A85-V89 HydrophobicContact CB-CG2 3.95Å; A85-M169 HydrophobicContact CB-CE 3.34Å; A85-M169 HydrophobicContact CB-CG 4.45Å; A85-Y170 PolarHBondContact N-O 2.86Å; A85-Q172 PolarHBondContact O-N 3.06Å; A85-Q172 PolarHBondContact O-NE2 2.9Å; A85-Q172 VanDerWaalsContact O-NE2 3.13Å; A85-V260 WeakPolarHBondContact CA-O 3.24Å
86G93.3Very high85.2Confident1 Ų143.8 Ų43.81%0.0124%0.244CC..  trans-142-161.1165.400000111.5G88 V89 N173 V260 G261G86-G88 PolarHBondContact O-N 3.28Å; G86-V89 WeakPolarHBondContact O-CB 3.27Å; G86-V89 PolarHBondContact O-N 2.99Å; G86-N173 WeakPolarHBondContact CA-OD1 3.21Å; G86-N173 PolarHBondContact O-ND2 2.9Å; G86-N173 VanDerWaalsContact O-ND2 3.14Å; G86-N173 PolarHBondContact O-OD1 2.72Å; G86-V260 PolarHBondContact N-O 3.11Å; G86-G261 CarbonylContact C-O 3.59Å; G86-G261 WeakPolarHBondContact CA-O 2.86Å
87A87.9Confident83.6Confident32 Ų3240.5 Ų40.526%0.26423%0.228SC..G310 helixtrans-58.1-31.3-166.500000113V89 S90 I91 N173 G261A87-V89 PolarHBondContact O-N 3.49Å; A87-S90 CarbonylContact O-C 3.57Å; A87-S90 WeakPolarHBondContact O-CA 3.39Å; A87-S90 PolarHBondContact O-N 2.88Å; A87-I91 VanDerWaalsContact C-CD1 3.43Å; A87-I91 HydrophobicContact CB-CD1 3.56Å; A87-I91 HydrophobicContact CB-CG1 4.19Å; A87-I91 WeakPolarHBondContact O-CD1 3.36Å; A87-I91 WeakPolarHBondContact O-CG1 3.47Å; A87-I91 PolarHBondContact O-N 3.35Å; A87-N173 WeakPolarHBondContact CA-OD1 3.37Å; A87-N173 PolarHBondContact N-OD1 2.81Å; A87-G261 PolarHBondContact N-O 3.09Å
88G86.6Confident81.9Confident26 Ų2635.8 Ų35.827%0.26822%0.218SC..G310 helixtrans-58.4-22.2179.200000114.5G86 S90 G261G86-G88 PolarHBondContact O-N 3.28Å; G88-S90 VanDerWaalsContact C-N 3.32Å; G88-G261 WeakPolarHBondContact CA-O 3.3Å; G88-G261 PolarHBondContact N-O 2.76Å
89V86.6Confident80.5Confident1 Ų138.1 Ų38.11%0.00623%0.23CC..G310 helixtrans-71.4-29.1172.7177.80000111.9A85 G86 A87 S151 T153 H154 M169 V260A85-V89 HydrophobicContact CB-CG2 3.95Å; G86-V89 WeakPolarHBondContact O-CB 3.27Å; G86-V89 PolarHBondContact O-N 2.99Å; A87-V89 PolarHBondContact O-N 3.49Å; V89-S151 WeakPolarHBondContact O-CB 3.3Å; V89-S151 PolarHBondContact O-OG 3.37Å; V89-T153 HydrophobicContact CB-CG2 4.3Å; V89-T153 HydrophobicContact CG1-CG2 3.63Å; V89-T153 HydrophobicContact CG2-CG2 4.07Å; V89-H154 PolarHBondContact O-CE1 2.9Å; V89-M169 HydrophobicContact CG1-CE 4.41Å; V89-V260 HydrophobicContact CG2-CB 4.13Å; V89-V260 HydrophobicContact CG2-CG1 3.8Å
90S82.2Confident79Confident1 Ų133.2 Ų33.21%0.00721%0.209CC..THydrogen-bonded Turntrans-100.8-18.6-178-59.40000114.3A87 G88 S92 C95 V97 H154 N173 D175A87-S90 CarbonylContact O-C 3.57Å; A87-S90 WeakPolarHBondContact O-CA 3.39Å; A87-S90 PolarHBondContact O-N 2.88Å; G88-S90 VanDerWaalsContact C-N 3.32Å; S90-S92 PolarHBondContact O-N 3.17Å; S90-S92 VanDerWaalsContact O-N 3.11Å; S90-C95 WeakPolarHBondContact O-CB 3.45Å; S90-C95 PolarHBondContact O-SG 3.42Å; S90-V97 WeakPolarHBondContact O-CB 3.32Å; S90-H154 PolarHBondContact OG-CE1 3.31Å; S90-N173 PolarHBondContact OG-ND2 3.17Å; S90-D175 VanDerWaalsContact CB-OD2 3.24Å; S90-D175 WeakPolarHBondContact CB-OD2 3.02Å; S90-D175 PolarHBondContact OG-OD2 2.79Å
91I72Confident77.3Confident51 Ų5134.4 Ų34.426%0.26221%0.214SC..  trans-83.724.4-175.5-50.1151.4000112.3A87 D99A87-I91 VanDerWaalsContact C-CD1 3.43Å; A87-I91 HydrophobicContact CB-CD1 3.56Å; A87-I91 HydrophobicContact CB-CG1 4.19Å; A87-I91 WeakPolarHBondContact O-CD1 3.36Å; A87-I91 WeakPolarHBondContact O-CG1 3.47Å; A87-I91 PolarHBondContact O-N 3.35Å; I91-D99 HydrophobicContact CD1-CB 4.28Å; I91-D99 HydrophobicContact CG2-CB 3.87Å
92S60.1Low75.4Confident19 Ų1935.1 Ų35.113%0.13322%0.221CC..SBendtrans-68.6148.2170.286.60000110.1S90 S94 C95 D303S90-S92 PolarHBondContact O-N 3.17Å; S90-S92 VanDerWaalsContact O-N 3.11Å; S92-S94 PolarHBondContact O-N 2.99Å; S92-S94 PolarHBondContact OG-N 3.49Å; S92-S94 PolarHBondContact OG-OG 3.2Å; S92-C95 PolarHBondContact O-N 3.21Å; S92-C95 PolarHBondContact OG-N 3.36Å; S92-C95 PolarHBondContact OG-SG 2.86Å; S92-D303 WeakPolarHBondContact CB-OD2 3.11Å; S92-D303 PolarHBondContact OG-OD2 2.99Å
93V57.2Low72.7Confident155 Ų15542.3 Ų42.394%0.93926%0.258SS*.THydrogen-bonded Turntrans-51.9-30.4174.6-178.50000111.2
94S57.4Low70.7Confident79 Ų7947.6 Ų47.655%0.55230%0.295SS*.THydrogen-bonded Turntrans-74.6-22.1-17975.70000114.9S92S92-S94 PolarHBondContact O-N 2.99Å; S92-S94 PolarHBondContact OG-N 3.49Å; S92-S94 PolarHBondContact OG-OG 3.2Å
95C63.3Low69.3Low5 Ų547.7 Ų47.73%0.03430%0.296CS..THydrogen-bonded Turntrans-85.5-31.9-176.1-69.10000113.5S90 S92 V97 L148 R149 S151 L177S90-C95 WeakPolarHBondContact O-CB 3.45Å; S90-C95 PolarHBondContact O-SG 3.42Å; S92-C95 PolarHBondContact O-N 3.21Å; S92-C95 PolarHBondContact OG-N 3.36Å; S92-C95 PolarHBondContact OG-SG 2.86Å; C95-V97 VanDerWaalsContact C-N 3.32Å; C95-V97 HydrophobicContact CB-CG2 4.26Å; C95-L148 VanDerWaalsContact O-CD2 3.29Å; C95-L148 WeakPolarHBondContact O-CD2 3.48Å; C95-R149 WeakPolarHBondContact CA-O 3.4Å; C95-R149 PolarHBondContact SG-O 3.41Å; C95-S151 VanDerWaalsContact SG-CA 3.55Å; C95-S151 WeakPolarHBondContact SG-CB 3.33Å; C95-S151 PolarHBondContact SG-N 2.95Å; C95-L177 HydrophobicContact CB-CD1 4.44Å
96G61.7Low68.1Low56 Ų5647.9 Ų47.958%0.57730%0.297SS*.  trans76.912.6-174.700000114.9
97V63.5Low67.3Low18 Ų1849.2 Ų49.211%0.10930%0.302CS..PPolyproline II helixtrans-82.6125.5175.8-178.50000109.7S90 C95 L148 L177S90-V97 WeakPolarHBondContact O-CB 3.32Å; C95-V97 VanDerWaalsContact C-N 3.32Å; C95-V97 HydrophobicContact CB-CG2 4.26Å; V97-L148 HydrophobicContact CG2-CD1 3.67Å; V97-L148 HydrophobicContact CG2-CD2 3.95Å; V97-L148 HydrophobicContact CG2-CG 4.36Å; V97-L177 HydrophobicContact CG2-CD1 4.1Å
98P63.1Low66.7Low60 Ų6053.4 Ų53.439%0.3931%0.314SS..PPolyproline II helixtrans-65.8141.2174.4-12.125.1000110.6F100P98-F100 PolarHBondContact O-N 2.88Å
99D67.7Low66.3Low54 Ų5455.1 Ų55.129%0.28932%0.316SS..PPolyproline II helixtrans-58.4131.4165.6-167.7-24000109I91 R101 G102 G105 F106I91-D99 HydrophobicContact CD1-CB 4.28Å; I91-D99 HydrophobicContact CG2-CB 3.87Å; D99-R101 PolarHBondContact OD1-N 3.38Å; D99-G102 VanDerWaalsContact CG-CA 3.44Å; D99-G102 PolarHBondContact OD1-N 3.49Å; D99-G102 WeakPolarHBondContact OD2-CA 3.21Å; D99-G102 PolarHBondContact OD2-N 3.23Å; D99-G102 VanDerWaalsContact OD2-N 3.16Å; D99-G105 CarbonylContact O-C 3.36Å; D99-G105 WeakPolarHBondContact O-CA 3.42Å; D99-F106 PolarHBondContact O-N 3.48Å
100F67.8Low65.9Low45 Ų4555 Ų5520%0.19732%0.315CS..SBendtrans-74.4-44.7174-79.2-102.9000111.8P98 F106 Y107 F124 L143P98-F100 PolarHBondContact O-N 2.88Å; F100-F106 HydrophobicContact CD1-CB 4.14Å; F100-F106 AromaticContact CD1-CD1 3.64Å; F100-F106 HydrophobicContact CD1-CD1 3.64Å; F100-F106 HydrophobicContact CD1-CE1 4.31Å; F100-F106 HydrophobicContact CD1-CG 4.15Å; F100-F106 AromaticContact CE1-CD1 3.88Å; F100-F106 HydrophobicContact CE1-CD1 3.88Å; F100-F106 HydrophobicContact CE1-CE1 4.17Å; F100-F106 HydrophobicContact CE1-CG 4.4Å; F100-F106 HydrophobicContact CG-CB 4.41Å; F100-F106 PolarHBondContact O-N 2.85Å; F100-Y107 HydrophobicContact CB-CD2 4.3Å; F100-Y107 HydrophobicContact CB-CE2 4.02Å; F100-Y107 HydrophobicContact CD1-CE2 4.48Å; F100-Y107 WeakPolarHBondContact O-CB 3.3Å; F100-Y107 WeakPolarHBondContact O-CD2 3.23Å; F100-Y107 PolarHBondContact O-N 2.89Å; F100-Y107 VanDerWaalsContact O-N 3.16Å; F100-F124 HydrophobicContact CE1-CZ 4.26Å; F100-L143 HydrophobicContact CE1-CD1 4.47Å; F100-L143 HydrophobicContact CE1-CD2 3.43Å; F100-L143 VanDerWaalsContact CE1-CD2 3.43Å; F100-L143 HydrophobicContact CE2-CD2 4.43Å; F100-L143 HydrophobicContact CZ-CD2 3.38Å
101R62.9Low65.8Low119 Ų11959 Ų5945%0.44933%0.333SS..SBendtrans-106-12.6-166.2-67.8-178.3178.2164.23.3113.7D99 Y107 S263D99-R101 PolarHBondContact OD1-N 3.38Å; R101-Y107 HydrophobicContact CG-CD2 3.98Å; R101-Y107 HydrophobicContact CG-CE2 3.89Å; R101-S263 PolarHBondContact NH1-OG 2.84Å
102G58Low66.3Low15 Ų1565.4 Ų65.416%0.15536%0.358CS..SBendtrans-68.6-178.8-176.500000116D99 S104 G105D99-G102 VanDerWaalsContact CG-CA 3.44Å; D99-G102 PolarHBondContact OD1-N 3.49Å; D99-G102 WeakPolarHBondContact OD2-CA 3.21Å; D99-G102 PolarHBondContact OD2-N 3.23Å; D99-G102 VanDerWaalsContact OD2-N 3.16Å; G102-S104 PolarHBondContact O-N 3.33Å; G102-G105 PolarHBondContact O-N 3.16Å
103I43.3Very low67.4Low151 Ų15169.3 Ų69.377%0.77437%0.373SS*.THydrogen-bonded Turntrans-61.5-30.9-173.4-62.2172.3000112.3K108I103-K108 WeakPolarHBondContact O-CD 3.34Å; I103-K108 WeakPolarHBondContact O-CE 3.3Å; I103-K108 PolarHBondContact O-NZ 3.48Å
104S55.7Low68.7Low111 Ų11163.6 Ų63.678%0.77634%0.335SS*.THydrogen-bonded Turntrans-106.710.5176.351.20000113.4G102G102-S104 PolarHBondContact O-N 3.33Å
105G67.9Low69.8Low2 Ų264.3 Ų64.32%0.02134%0.338CS..  trans-73167-15800000117D99 G102 Y107 K108 M109D99-G105 CarbonylContact O-C 3.36Å; D99-G105 WeakPolarHBondContact O-CA 3.42Å; G102-G105 PolarHBondContact O-N 3.16Å; G105-Y107 PolarHBondContact O-N 2.8Å; G105-Y107 VanDerWaalsContact O-N 3.12Å; G105-K108 PolarHBondContact O-N 2.87Å; G105-M109 PolarHBondContact O-N 2.93Å
106F71.7Confident70.6Confident5 Ų572 Ų722%0.02238%0.377CS..Hα-helixtrans-45.3-44.1178.9178.4-107.2000112.4D99 F100 K108 M109 L110 F124 V139 E142 L143D99-F106 PolarHBondContact O-N 3.48Å; F100-F106 HydrophobicContact CD1-CB 4.14Å; F100-F106 AromaticContact CD1-CD1 3.64Å; F100-F106 HydrophobicContact CD1-CD1 3.64Å; F100-F106 HydrophobicContact CD1-CE1 4.31Å; F100-F106 HydrophobicContact CD1-CG 4.15Å; F100-F106 AromaticContact CE1-CD1 3.88Å; F100-F106 HydrophobicContact CE1-CD1 3.88Å; F100-F106 HydrophobicContact CE1-CE1 4.17Å; F100-F106 HydrophobicContact CE1-CG 4.4Å; F100-F106 HydrophobicContact CG-CB 4.41Å; F100-F106 PolarHBondContact O-N 2.85Å; F106-K108 PolarHBondContact O-N 2.91Å; F106-M109 HydrophobicContact CD2-CE 3.83Å; F106-M109 HydrophobicContact CE2-CE 4.08Å; F106-M109 WeakPolarHBondContact O-CB 3.49Å; F106-M109 PolarHBondContact O-N 2.8Å; F106-L110 HydrophobicContact CD1-CD1 3.8Å; F106-L110 HydrophobicContact CD1-CG 4.13Å; F106-L110 HydrophobicContact CE1-CD1 3.31Å; F106-L110 HydrophobicContact CE1-CD2 4.44Å; F106-L110 HydrophobicContact CE1-CG 3.92Å; F106-L110 HydrophobicContact CE2-CD2 4.25Å; F106-L110 HydrophobicContact CE2-CG 4.35Å; F106-L110 HydrophobicContact CG-CG 4.47Å; F106-L110 HydrophobicContact CZ-CD1 3.73Å; F106-L110 HydrophobicContact CZ-CD2 4.08Å; F106-L110 HydrophobicContact CZ-CG 4.04Å; F106-L110 WeakPolarHBondContact O-CG 3.41Å; F106-L110 PolarHBondContact O-N 2.76Å; F106-F124 HydrophobicContact CE1-CE2 4.16Å; F106-F124 HydrophobicContact CE1-CZ 4.03Å; F106-V139 HydrophobicContact CE2-CB 3.99Å; F106-V139 HydrophobicContact CZ-CB 3.67Å; F106-V139 HydrophobicContact CZ-CG2 3.72Å; F106-E142 HydrophobicContact CD2-CB 4.44Å; F106-E142 WeakPolarHBondContact CD2-OE2 3.17Å; F106-E142 HydrophobicContact CE2-CB 4.11Å; F106-L143 HydrophobicContact CD1-CD2 4.37Å; F106-L143 HydrophobicContact CD2-CD2 4.04Å; F106-L143 HydrophobicContact CE1-CD1 4.3Å; F106-L143 HydrophobicContact CE1-CD2 4.01Å; F106-L143 HydrophobicContact CE2-CD2 3.68Å; F106-L143 HydrophobicContact CE2-CG 4.12Å; F106-L143 HydrophobicContact CG-CD2 4.36Å; F106-L143 HydrophobicContact CZ-CD1 3.92Å; F106-L143 HydrophobicContact CZ-CD2 3.64Å; F106-L143 HydrophobicContact CZ-CG 3.88Å
107Y75.8Confident71.7Confident28 Ų2869.4 Ų69.411%0.1135%0.35CS..Hα-helixtrans-65.8-37.2-178.4-72.4-38.3000114.5F100 R101 G105 L110 K111 P120 E121 F124F100-Y107 HydrophobicContact CB-CD2 4.3Å; F100-Y107 HydrophobicContact CB-CE2 4.02Å; F100-Y107 HydrophobicContact CD1-CE2 4.48Å; F100-Y107 WeakPolarHBondContact O-CB 3.3Å; F100-Y107 WeakPolarHBondContact O-CD2 3.23Å; F100-Y107 PolarHBondContact O-N 2.89Å; F100-Y107 VanDerWaalsContact O-N 3.16Å; R101-Y107 HydrophobicContact CG-CD2 3.98Å; R101-Y107 HydrophobicContact CG-CE2 3.89Å; G105-Y107 PolarHBondContact O-N 2.8Å; G105-Y107 VanDerWaalsContact O-N 3.12Å; Y107-L110 HydrophobicContact CD1-CD1 4.28Å; Y107-L110 PolarHBondContact O-N 3.49Å; Y107-K111 PolarHBondContact O-N 3.15Å; Y107-P120 HydrophobicContact CD1-CB 3.2Å; Y107-P120 HydrophobicContact CD1-CG 4.44Å; Y107-P120 HydrophobicContact CE1-CB 4.09Å; Y107-P120 HydrophobicContact CG-CB 3.46Å; Y107-P120 VanDerWaalsContact CG-CB 3.46Å; Y107-P120 HydrophobicContact CG-CG 4.31Å; Y107-E121 HydrophobicContact CE1-CG 4.18Å; Y107-E121 HydrophobicContact CE2-CG 4.27Å; Y107-F124 HydrophobicContact CE1-CD2 4.34Å; Y107-F124 AromaticContact CE1-CE2 3.84Å; Y107-F124 HydrophobicContact CE1-CE2 3.84Å
108K76Confident72.7Confident121 Ų12174 Ų7453%0.52638%0.375SS..Hα-helixtrans-68.2-40.4174.5-75-176.6-177.7-172.90111.1I103 G105 F106 L110 K111 K112I103-K108 WeakPolarHBondContact O-CD 3.34Å; I103-K108 WeakPolarHBondContact O-CE 3.3Å; I103-K108 PolarHBondContact O-NZ 3.48Å; G105-K108 PolarHBondContact O-N 2.87Å; F106-K108 PolarHBondContact O-N 2.91Å; K108-L110 VanDerWaalsContact C-N 3.34Å; K108-K111 PolarHBondContact O-N 2.84Å; K108-K112 WeakPolarHBondContact O-CB 3.26Å; K108-K112 PolarHBondContact O-N 3.34Å; K108-K112 VanDerWaalsContact O-N 3.12Å
109M78.7Confident73.8Confident61 Ų6176.2 Ų76.230%0.338%0.376SS..Hα-helixtrans-61.4-43.9174.2-177.5-142.753.300110.9G105 F106 K112 K113 E142G105-M109 PolarHBondContact O-N 2.93Å; F106-M109 HydrophobicContact CD2-CE 3.83Å; F106-M109 HydrophobicContact CE2-CE 4.08Å; F106-M109 WeakPolarHBondContact O-CB 3.49Å; F106-M109 PolarHBondContact O-N 2.8Å; M109-K112 PolarHBondContact O-N 2.97Å; M109-K113 WeakPolarHBondContact O-CB 3.38Å; M109-K113 PolarHBondContact O-N 3.45Å; M109-E142 WeakPolarHBondContact CE-OE2 3.48Å; M109-E142 VanDerWaalsContact SD-OE1 3.42Å
110L78.6Confident74.4Confident0 Ų075 Ų750%037%0.37CS..Hα-helixtrans-58.9-51.5176.5-74.7-168.3000112.6F106 Y107 K108 K112 K113 Y114 L117 V123 V139F106-L110 HydrophobicContact CD1-CD1 3.8Å; F106-L110 HydrophobicContact CD1-CG 4.13Å; F106-L110 HydrophobicContact CE1-CD1 3.31Å; F106-L110 HydrophobicContact CE1-CD2 4.44Å; F106-L110 HydrophobicContact CE1-CG 3.92Å; F106-L110 HydrophobicContact CE2-CD2 4.25Å; F106-L110 HydrophobicContact CE2-CG 4.35Å; F106-L110 HydrophobicContact CG-CG 4.47Å; F106-L110 HydrophobicContact CZ-CD1 3.73Å; F106-L110 HydrophobicContact CZ-CD2 4.08Å; F106-L110 HydrophobicContact CZ-CG 4.04Å; F106-L110 WeakPolarHBondContact O-CG 3.41Å; F106-L110 PolarHBondContact O-N 2.76Å; Y107-L110 HydrophobicContact CD1-CD1 4.28Å; Y107-L110 PolarHBondContact O-N 3.49Å; K108-L110 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.16Å; L110-K113 PolarHBondContact O-N 3.31Å; L110-K113 VanDerWaalsContact O-N 3.1Å; L110-Y114 HydrophobicContact CD2-CD2 4.15Å; L110-Y114 HydrophobicContact CD2-CE2 4.21Å; L110-Y114 PolarHBondContact O-N 2.99Å; L110-L117 HydrophobicContact CB-CD1 4.47Å; L110-V123 HydrophobicContact CD1-CG1 4.36Å; L110-V123 HydrophobicContact CD1-CG2 3.92Å; L110-V139 HydrophobicContact CD2-CB 3.72Å; L110-V139 HydrophobicContact CD2-CG1 3.11Å; L110-V139 HydrophobicContact CD2-CG2 4.32Å; L110-V139 HydrophobicContact CG-CG1 4.47Å
111K78.9Confident75.1Confident85 Ų8575.4 Ų75.437%0.3737%0.373SS..Hα-helixtrans-60.4-36.8-179.4-170.468.3176.7-1750111.7Y107 K108 Y114 L117 D118 P120Y107-K111 PolarHBondContact O-N 3.15Å; K108-K111 PolarHBondContact O-N 2.84Å; K111-Y114 CarbonylContact O-C 3.59Å; K111-L117 PolarHBondContact NZ-O 3.23Å; K111-D118 PolarHBondContact NZ-O 2.92Å; K111-P120 HydrophobicContact CB-CG 4.45Å
112K83.2Confident76.4Confident185 Ų18570.8 Ų70.880%0.80436%0.357SS*.Hα-helixtrans-67.7-39.5175.8-172.8177.7179.8-179.60112.4K108 M109 L110K108-K112 WeakPolarHBondContact O-CB 3.26Å; K108-K112 PolarHBondContact O-N 3.34Å; K108-K112 VanDerWaalsContact O-N 3.12Å; M109-K112 PolarHBondContact O-N 2.97Å; L110-K112 PolarHBondContact O-N 3.16Å
113K82.7Confident77.9Confident101 Ų10170.1 Ų70.144%0.43935%0.35SS..Hα-helixtrans-83.3-28.4-175.7-163.5174.4-177.2-178.80113.1M109 L110M109-K113 WeakPolarHBondContact O-CB 3.38Å; M109-K113 PolarHBondContact O-N 3.45Å; L110-K113 PolarHBondContact O-N 3.31Å; L110-K113 VanDerWaalsContact O-N 3.1Å
114Y84.1Confident80.1Confident34 Ų3464 Ų6413%0.13332%0.317CS..  trans-131.978.1-178.2-53.8-69000110.1L110 K111 L116 L117 L135 K138 V139L110-Y114 HydrophobicContact CD2-CD2 4.15Å; L110-Y114 HydrophobicContact CD2-CE2 4.21Å; L110-Y114 PolarHBondContact O-N 2.99Å; K111-Y114 CarbonylContact O-C 3.59Å; Y114-L116 PolarHBondContact O-N 3.42Å; Y114-L116 VanDerWaalsContact O-N 3.1Å; Y114-L117 PolarHBondContact O-N 3.15Å; Y114-L117 VanDerWaalsContact O-N 3.11Å; Y114-L135 HydrophobicContact CD1-CD2 3.94Å; Y114-L135 HydrophobicContact CE1-CD2 4.27Å; Y114-L135 HydrophobicContact CG-CD2 4.45Å; Y114-K138 HydrophobicContact CE1-CD 3.72Å; Y114-K138 WeakPolarHBondContact OH-CB 3.4Å; Y114-V139 HydrophobicContact CD2-CG1 4.42Å; Y114-V139 HydrophobicContact CE2-CG1 3.75Å
115P82.1Confident81.8Confident95 Ų9560.3 Ų60.362%0.61729%0.289SS*.THydrogen-bonded Turntrans-62.6-21.2-175.9-19.831.5000113.7L117P115-L117 PolarHBondContact O-N 3.12Å
116L79.7Confident83Confident165 Ų16561.4 Ų61.486%0.86430%0.295SS*.THydrogen-bonded Turntrans-70.5-16.9178.5-64.9171.4000113.5Y114 D118Y114-L116 PolarHBondContact O-N 3.42Å; Y114-L116 VanDerWaalsContact O-N 3.1Å; L116-D118 PolarHBondContact O-N 3.33Å
117L83.8Confident84Confident2 Ų267.5 Ų67.51%0.0133%0.327CS..  trans-68.5129.4172.6-65.9173.4000108.6L110 K111 Y114 P115 Y119 Q122 V123 F128 L135L110-L117 HydrophobicContact CB-CD1 4.47Å; K111-L117 PolarHBondContact NZ-O 3.23Å; Y114-L117 PolarHBondContact O-N 3.15Å; Y114-L117 VanDerWaalsContact O-N 3.11Å; P115-L117 PolarHBondContact O-N 3.12Å; L117-Y119 VanDerWaalsContact C-N 3.35Å; L117-Q122 VanDerWaalsContact CA-OE1 3.25Å; L117-Q122 HydrophobicContact CD2-CB 4.31Å; L117-V123 HydrophobicContact CD1-CG1 3.66Å; L117-V123 HydrophobicContact CD2-CG1 3.81Å; L117-V123 HydrophobicContact CG-CG1 4.41Å; L117-F128 HydrophobicContact CD2-CE1 3.8Å; L117-F128 HydrophobicContact CD2-CZ 3.63Å; L117-L135 HydrophobicContact CD2-CD1 4.3Å
118D86Confident84.9Confident116 Ų11668 Ų6862%0.6233%0.33SS*.SBendtrans-62.6-47.6176-64.9-49.2000109.9K111 L116 Q122K111-D118 PolarHBondContact NZ-O 2.92Å; L116-D118 PolarHBondContact O-N 3.33Å; D118-Q122 PolarHBondContact OD2-NE2 2.86Å
119Y85.9Confident85.7Confident106 Ų10662.3 Ų62.342%0.41631%0.305SS..SBendtrans-143.7155.3175.353.2-88.3000110.7L117 E121 Q122 N125L117-Y119 VanDerWaalsContact C-N 3.35Å; Y119-E121 VanDerWaalsContact C-N 3.33Å; Y119-E121 HydrophobicContact CD2-CB 3.85Å; Y119-E121 HydrophobicContact CE2-CB 4.01Å; Y119-E121 PolarHBondContact O-N 2.76Å; Y119-Q122 HydrophobicContact CD2-CB 4.13Å; Y119-Q122 HydrophobicContact CE2-CB 3.94Å; Y119-Q122 WeakPolarHBondContact O-CB 3.45Å; Y119-Q122 PolarHBondContact O-N 3.02Å; Y119-Q122 VanDerWaalsContact O-N 3.1Å; Y119-N125 PolarHBondContact OH-ND2 3.29Å
120P78.9Confident86.4Confident27 Ų2763.1 Ų63.118%0.17531%0.311CS..G310 helixtrans-61.8-34.6-170.8-25.636.6000115.1Y107 K111 Q122Y107-P120 HydrophobicContact CD1-CB 3.2Å; Y107-P120 HydrophobicContact CD1-CG 4.44Å; Y107-P120 HydrophobicContact CE1-CB 4.09Å; Y107-P120 HydrophobicContact CG-CB 3.46Å; Y107-P120 VanDerWaalsContact CG-CB 3.46Å; Y107-P120 HydrophobicContact CG-CG 4.31Å; K111-P120 HydrophobicContact CB-CG 4.45Å; P120-Q122 PolarHBondContact O-N 3.24Å
121E83.9Confident87.1Confident55 Ų5568 Ų6826%0.25734%0.34SS..G310 helixtrans-67-13.2178.5-63.182.1173.200112.9Y107 Y119 V123 F124 F235Y107-E121 HydrophobicContact CE1-CG 4.18Å; Y107-E121 HydrophobicContact CE2-CG 4.27Å; Y119-E121 VanDerWaalsContact C-N 3.33Å; Y119-E121 HydrophobicContact CD2-CB 3.85Å; Y119-E121 HydrophobicContact CE2-CB 4.01Å; Y119-E121 PolarHBondContact O-N 2.76Å; E121-V123 PolarHBondContact O-N 3.42Å; E121-V123 VanDerWaalsContact O-N 3.13Å; E121-F124 PolarHBondContact O-N 3.27Å; E121-F235 HydrophobicContact CB-CE2 3.85Å; E121-F235 HydrophobicContact CG-CE2 4.27Å
122Q89Confident87.7Confident21 Ų2167.4 Ų67.410%0.09834%0.339CS..G310 helixtrans-58.1-29.8-176.7-172.117732.700113L117 D118 Y119 P120 F124 N125 F128L117-Q122 VanDerWaalsContact CA-OE1 3.25Å; L117-Q122 HydrophobicContact CD2-CB 4.31Å; D118-Q122 PolarHBondContact OD2-NE2 2.86Å; Y119-Q122 HydrophobicContact CD2-CB 4.13Å; Y119-Q122 HydrophobicContact CE2-CB 3.94Å; Y119-Q122 WeakPolarHBondContact O-CB 3.45Å; Y119-Q122 PolarHBondContact O-N 3.02Å; Y119-Q122 VanDerWaalsContact O-N 3.1Å; P120-Q122 PolarHBondContact O-N 3.24Å; Q122-F124 PolarHBondContact O-N 3.06Å; Q122-F124 VanDerWaalsContact O-N 3.15Å; Q122-N125 PolarHBondContact O-N 2.87Å; Q122-F128 HydrophobicContact CG-CB 4.27Å; Q122-F128 HydrophobicContact CG-CD1 4.1Å; Q122-F128 HydrophobicContact CG-CD2 3.66Å; Q122-F128 HydrophobicContact CG-CE1 4.34Å; Q122-F128 HydrophobicContact CG-CE2 3.92Å; Q122-F128 HydrophobicContact CG-CG 3.74Å; Q122-F128 HydrophobicContact CG-CZ 4.25Å; Q122-F128 WeakPolarHBondContact O-CB 3.19Å; Q122-F128 VanDerWaalsContact O-CD1 3.31Å; Q122-F128 WeakPolarHBondContact O-CD1 3.34Å
123V89.5Confident88.3Confident2 Ų259.4 Ų59.41%0.01231%0.306CS..G310 helixtrans-63.9-16.3175.6-580000113.8L110 L117 E121 V139L110-V123 HydrophobicContact CD1-CG1 4.36Å; L110-V123 HydrophobicContact CD1-CG2 3.92Å; L117-V123 HydrophobicContact CD1-CG1 3.66Å; L117-V123 HydrophobicContact CD2-CG1 3.81Å; L117-V123 HydrophobicContact CG-CG1 4.41Å; E121-V123 PolarHBondContact O-N 3.42Å; E121-V123 VanDerWaalsContact O-N 3.13Å; V123-V139 HydrophobicContact CG2-CG2 4.42Å
124F90.2Very high88.7Confident21 Ų2157.9 Ų57.99%0.09230%0.3CS..G310 helixtrans-105.610.5176.2-56.2-70.4000112.7F100 F106 Y107 E121 Q122 F136 L143 F234 F235F100-F124 HydrophobicContact CE1-CZ 4.26Å; F106-F124 HydrophobicContact CE1-CE2 4.16Å; F106-F124 HydrophobicContact CE1-CZ 4.03Å; Y107-F124 HydrophobicContact CE1-CD2 4.34Å; Y107-F124 AromaticContact CE1-CE2 3.84Å; Y107-F124 HydrophobicContact CE1-CE2 3.84Å; E121-F124 PolarHBondContact O-N 3.27Å; Q122-F124 PolarHBondContact O-N 3.06Å; Q122-F124 VanDerWaalsContact O-N 3.15Å; F124-F136 HydrophobicContact CD1-CD2 4.34Å; F124-F136 HydrophobicContact CD1-CE2 4.16Å; F124-F136 HydrophobicContact CE1-CD2 4.32Å; F124-F136 AromaticContact CE1-CE2 3.94Å; F124-F136 HydrophobicContact CE1-CE2 3.94Å; F124-L143 HydrophobicContact CE1-CD1 3.67Å; F124-L143 HydrophobicContact CZ-CD1 3.53Å; F124-F234 VanDerWaalsContact C-CD2 3.5Å; F124-F234 HydrophobicContact CD1-CE1 4.07Å; F124-F234 HydrophobicContact CD1-CZ 4.29Å; F124-F234 CarbonylContact O-C 3.35Å; F124-F234 VanDerWaalsContact O-CA 3.26Å; F124-F234 WeakPolarHBondContact O-CA 3.42Å; F124-F234 WeakPolarHBondContact O-CB 3.28Å; F124-F234 WeakPolarHBondContact O-CD2 3.34Å; F124-F234 WeakPolarHBondContact O-CG 3.32Å; F124-F235 HydrophobicContact CB-CD2 3.99Å; F124-F235 HydrophobicContact CB-CE2 4.2Å; F124-F235 PolarHBondContact O-N 3.44Å
125N92.3Very high89Confident35 Ų3557.5 Ų57.519%0.18730%0.3CS..BIsolated β-bridgetrans-82.2134.2169-83.4-64000110.2Y119 Q122 D127 F128 F129 F235Y119-N125 PolarHBondContact OH-ND2 3.29Å; Q122-N125 PolarHBondContact O-N 2.87Å; N125-D127 PolarHBondContact O-N 3.13Å; N125-F128 HydrophobicContact CB-CB 3.9Å; N125-F128 PolarHBondContact O-N 3.27Å; N125-F129 WeakPolarHBondContact O-CB 3.21Å; N125-F129 PolarHBondContact O-N 3.3Å; N125-F235 WeakPolarHBondContact OD1-CB 3.11Å
126L92.5Very high89.5Confident25 Ų2553.1 Ų53.113%0.13127%0.271CS..Hα-helixtrans-60.9-48.8-178-170.766.2000112.3F128 F129 D130 K229 F234 F235 E237L126-F128 VanDerWaalsContact C-N 3.26Å; L126-F128 PolarHBondContact O-N 3.18Å; L126-F129 WeakPolarHBondContact O-CB 3.45Å; L126-F129 PolarHBondContact O-N 2.87Å; L126-F129 VanDerWaalsContact O-N 3.11Å; L126-D130 PolarHBondContact O-N 3.38Å; L126-K229 HydrophobicContact CD1-CD 4.1Å; L126-F234 HydrophobicContact CB-CB 4.29Å; L126-F234 HydrophobicContact CD1-CB 4.46Å; L126-F235 PolarHBondContact N-O 3.09Å; L126-E237 HydrophobicContact CB-CG 4.34Å; L126-E237 HydrophobicContact CD1-CG 4.03Å; L126-E237 WeakPolarHBondContact CD1-OE1 3.26Å; L126-E237 HydrophobicContact CD2-CG 3.67Å; L126-E237 HydrophobicContact CG-CG 4.23Å
127D92.9Very high90.1Very high133 Ų13345.2 Ų45.271%0.71123%0.23SC*.Hα-helixtrans-61.9-37.5-179.5-61.9-27.7000111.5N125N125-D127 PolarHBondContact O-N 3.13Å
128F93Very high90.3Very high39 Ų3948.8 Ų48.817%0.17125%0.246CC..Hα-helixtrans-68.6-39.5176.6-171.5-97.6000111.6L117 Q122 N125 L126 V131 H132 L135L117-F128 HydrophobicContact CD2-CE1 3.8Å; L117-F128 HydrophobicContact CD2-CZ 3.63Å; Q122-F128 HydrophobicContact CG-CB 4.27Å; Q122-F128 HydrophobicContact CG-CD1 4.1Å; Q122-F128 HydrophobicContact CG-CD2 3.66Å; Q122-F128 HydrophobicContact CG-CE1 4.34Å; Q122-F128 HydrophobicContact CG-CE2 3.92Å; Q122-F128 HydrophobicContact CG-CG 3.74Å; Q122-F128 HydrophobicContact CG-CZ 4.25Å; Q122-F128 WeakPolarHBondContact O-CB 3.19Å; Q122-F128 VanDerWaalsContact O-CD1 3.31Å; Q122-F128 WeakPolarHBondContact O-CD1 3.34Å; N125-F128 HydrophobicContact CB-CB 3.9Å; N125-F128 PolarHBondContact O-N 3.27Å; L126-F128 VanDerWaalsContact C-N 3.26Å; L126-F128 PolarHBondContact O-N 3.18Å; F128-V131 PolarHBondContact O-N 2.91Å; F128-H132 HydrophobicContact CD1-CB 4.49Å; F128-H132 HydrophobicContact CE1-CB 4.08Å; F128-H132 AromaticContact CE2-CD2 3.99Å; F128-H132 HydrophobicContact CZ-CB 4.19Å; F128-H132 PolarHBondContact O-N 2.87Å; F128-L135 HydrophobicContact CE1-CB 4.28Å; F128-L135 HydrophobicContact CE1-CD1 3.66Å; F128-L135 HydrophobicContact CZ-CD1 3.5Å; F128-L135 VanDerWaalsContact CZ-CD1 3.5Å
129F94.8Very high90.3Very high1 Ų143.3 Ų43.30%0.00422%0.216CC..Hα-helixtrans-65.1-38.2176.8177.6-91.2000112.9N125 L126 V131 P133 F136 Y137 R199 V227 K229 F234N125-F129 WeakPolarHBondContact O-CB 3.21Å; N125-F129 PolarHBondContact O-N 3.3Å; L126-F129 WeakPolarHBondContact O-CB 3.45Å; L126-F129 PolarHBondContact O-N 2.87Å; L126-F129 VanDerWaalsContact O-N 3.11Å; F129-V131 PolarHBondContact O-N 3.32Å; F129-P133 HydrophobicContact CD2-CB 4.32Å; F129-P133 HydrophobicContact CE1-CB 4.45Å; F129-P133 HydrophobicContact CE2-CB 4Å; F129-P133 HydrophobicContact CZ-CB 4.09Å; F129-P133 WeakPolarHBondContact O-CA 3.48Å; F129-P133 WeakPolarHBondContact O-CB 3.26Å; F129-P133 WeakPolarHBondContact O-CD 3.38Å; F129-P133 VanDerWaalsContact O-N 3.1Å; F129-F136 HydrophobicContact CD2-CB 3.76Å; F129-F136 HydrophobicContact CD2-CD1 4.22Å; F129-F136 HydrophobicContact CD2-CG 4.04Å; F129-F136 HydrophobicContact CE2-CB 3.97Å; F129-F136 AromaticContact CE2-CD1 3.68Å; F129-F136 HydrophobicContact CE2-CD1 3.68Å; F129-F136 HydrophobicContact CE2-CE1 4.45Å; F129-F136 AromaticContact CE2-CG 3.98Å; F129-F136 HydrophobicContact CE2-CG 3.98Å; F129-Y137 HydrophobicContact CE2-CD2 4.4Å; F129-Y137 AromaticContact CE2-CE2 3.89Å; F129-Y137 HydrophobicContact CE2-CE2 3.89Å; F129-Y137 AromaticContact CZ-CE2 3.94Å; F129-Y137 HydrophobicContact CZ-CE2 3.94Å; F129-R199 HydrophobicContact CE1-CG 4.07Å; F129-V227 HydrophobicContact CE1-CG1 3.95Å; F129-V227 HydrophobicContact CZ-CG1 3.63Å; F129-K229 HydrophobicContact CD1-CD 4.04Å; F129-K229 HydrophobicContact CD1-CG 4.23Å; F129-K229 HydrophobicContact CE1-CB 3.74Å; F129-K229 HydrophobicContact CE1-CD 3.98Å; F129-K229 HydrophobicContact CE1-CG 3.69Å; F129-K229 HydrophobicContact CE2-CG 4.29Å; F129-K229 HydrophobicContact CZ-CB 3.86Å; F129-K229 HydrophobicContact CZ-CD 4.42Å; F129-K229 HydrophobicContact CZ-CG 3.71Å; F129-F234 HydrophobicContact CB-CD2 3.97Å; F129-F234 HydrophobicContact CB-CE2 3.65Å; F129-F234 AromaticContact CD2-CE2 3.63Å; F129-F234 HydrophobicContact CD2-CE2 3.63Å; F129-F234 HydrophobicContact CD2-CZ 4.14Å; F129-F234 HydrophobicContact CE2-CE2 4.47Å; F129-F234 HydrophobicContact CG-CD2 4.34Å; F129-F234 AromaticContact CG-CE2 3.72Å; F129-F234 HydrophobicContact CG-CE2 3.72Å
130D92.3Very high90.3Very high78 Ų7838.3 Ų38.342%0.41720%0.197SC..Hα-helixtrans-66.8-22.5179.8-75.7-21.5000112.1L126 R199L126-D130 PolarHBondContact O-N 3.38Å; D130-R199 IonicContact OD1-CZ 2.78Å; D130-R199 IonicContact OD1-NE 3.89Å; D130-R199 PolarHBondContact OD1-NE 3.31Å; D130-R199 IonicContact OD1-NH2 2.83Å; D130-R199 PolarHBondContact OD1-NH2 3.14Å; D130-R199 IonicContact OD2-CZ 3.18Å; D130-R199 IonicContact OD2-NE 3.87Å; D130-R199 IonicContact OD2-NH2 3.57Å; D130-R199 PolarHBondContact OD2-NH2 2.96Å
131V93Very high90.6Very high101 Ų10141.9 Ų41.961%0.61221%0.21SC*.Hα-helixtrans-95.4-42.6174.9-1750000112.6F128 F129 P133F128-V131 PolarHBondContact O-N 2.91Å; F129-V131 PolarHBondContact O-N 3.32Å; V131-P133 VanDerWaalsContact C-CD 3.42Å; V131-P133 WeakPolarHBondContact O-CD 3.48Å
132H92.4Very high90.3Very high74 Ų7442.7 Ų42.734%0.34321%0.213SC..  trans-126.556.8-172.5-66.4-62.2000113.5F128 E134 L135F128-H132 HydrophobicContact CD1-CB 4.49Å; F128-H132 HydrophobicContact CE1-CB 4.08Å; F128-H132 AromaticContact CE2-CD2 3.99Å; F128-H132 HydrophobicContact CZ-CB 4.19Å; F128-H132 PolarHBondContact O-N 2.87Å; H132-E134 VanDerWaalsContact C-OE2 3.23Å; H132-E134 WeakPolarHBondContact CA-OE2 3.28Å; H132-E134 IonicContact CG-OE1 3.73Å; H132-E134 IonicContact ND1-OE1 3.15Å; H132-E134 PolarHBondContact ND1-OE1 3.04Å; H132-E134 VanDerWaalsContact ND1-OE1 3.15Å; H132-E134 PolarHBondContact O-N 2.97Å; H132-E134 VanDerWaalsContact O-N 3.16Å; H132-L135 HydrophobicContact CB-CD1 3.98Å; H132-L135 HydrophobicContact CB-CG 4.31Å; H132-L135 PolarHBondContact O-N 3Å; H132-L135 VanDerWaalsContact O-N 3.11Å
133P94.6Very high89.7Confident17 Ų1742.4 Ų42.411%0.1121%0.213CC..Hα-helixtrans-61.8-27.8-176.927.7-35.9000112.3F129 V131 L135 F136 Y137 V219 V227F129-P133 HydrophobicContact CD2-CB 4.32Å; F129-P133 HydrophobicContact CE1-CB 4.45Å; F129-P133 HydrophobicContact CE2-CB 4Å; F129-P133 HydrophobicContact CZ-CB 4.09Å; F129-P133 WeakPolarHBondContact O-CA 3.48Å; F129-P133 WeakPolarHBondContact O-CB 3.26Å; F129-P133 WeakPolarHBondContact O-CD 3.38Å; F129-P133 VanDerWaalsContact O-N 3.1Å; V131-P133 VanDerWaalsContact C-CD 3.42Å; V131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-L135 PolarHBondContact O-N 3.36Å; P133-F136 PolarHBondContact O-N 3.43Å; P133-Y137 VanDerWaalsContact O-CD2 3.25Å; P133-Y137 WeakPolarHBondContact O-CD2 3.36Å; P133-Y137 PolarHBondContact O-N 3.17Å; P133-V219 HydrophobicContact CB-CG1 4.31Å; P133-V219 HydrophobicContact CG-CG1 4.43Å; P133-V227 HydrophobicContact CB-CG1 4.03Å; P133-V227 HydrophobicContact CB-CG2 4.19Å; P133-V227 HydrophobicContact CG-CG2 3.97Å
134E92.8Very high89.3Confident69 Ų6943.6 Ų43.632%0.32222%0.217SC..Hα-helixtrans-60.4-29.7177.772.3-71.9170.600113.2H132 Y137 K138 V219H132-E134 VanDerWaalsContact C-OE2 3.23Å; H132-E134 WeakPolarHBondContact CA-OE2 3.28Å; H132-E134 IonicContact CG-OE1 3.73Å; H132-E134 IonicContact ND1-OE1 3.15Å; H132-E134 PolarHBondContact ND1-OE1 3.04Å; H132-E134 VanDerWaalsContact ND1-OE1 3.15Å; H132-E134 PolarHBondContact O-N 2.97Å; H132-E134 VanDerWaalsContact O-N 3.16Å; E134-Y137 PolarHBondContact O-N 3.4Å; E134-K138 WeakPolarHBondContact O-CB 3.46Å; E134-K138 WeakPolarHBondContact O-CG 3.28Å; E134-K138 PolarHBondContact O-N 3.29Å; E134-V219 HydrophobicContact CB-CG2 4.07Å
135L90.2Very high88.6Confident26 Ų2643.3 Ų43.314%0.13622%0.217CC..Hα-helixtrans-71.7-42.3178.7-69178.2000111.2Y114 L117 F128 H132 P133 K138 V139Y114-L135 HydrophobicContact CD1-CD2 3.94Å; Y114-L135 HydrophobicContact CE1-CD2 4.27Å; Y114-L135 HydrophobicContact CG-CD2 4.45Å; L117-L135 HydrophobicContact CD2-CD1 4.3Å; F128-L135 HydrophobicContact CE1-CB 4.28Å; F128-L135 HydrophobicContact CE1-CD1 3.66Å; F128-L135 HydrophobicContact CZ-CD1 3.5Å; F128-L135 VanDerWaalsContact CZ-CD1 3.5Å; H132-L135 HydrophobicContact CB-CD1 3.98Å; H132-L135 HydrophobicContact CB-CG 4.31Å; H132-L135 PolarHBondContact O-N 3Å; H132-L135 VanDerWaalsContact O-N 3.11Å; P133-L135 PolarHBondContact O-N 3.36Å; L135-K138 HydrophobicContact CD2-CD 4.28Å; L135-K138 PolarHBondContact O-N 3.11Å; L135-V139 WeakPolarHBondContact O-CG1 3.43Å
136F91.8Very high87.8Confident2 Ų244.2 Ų44.21%0.00923%0.23CC..Hα-helixtrans-60.1-47.9170.3171.9-97.5000111F124 F129 P133 K138 V139 A140 F193 P230 F234F124-F136 HydrophobicContact CD1-CD2 4.34Å; F124-F136 HydrophobicContact CD1-CE2 4.16Å; F124-F136 HydrophobicContact CE1-CD2 4.32Å; F124-F136 AromaticContact CE1-CE2 3.94Å; F124-F136 HydrophobicContact CE1-CE2 3.94Å; F129-F136 HydrophobicContact CD2-CB 3.76Å; F129-F136 HydrophobicContact CD2-CD1 4.22Å; F129-F136 HydrophobicContact CD2-CG 4.04Å; F129-F136 HydrophobicContact CE2-CB 3.97Å; F129-F136 AromaticContact CE2-CD1 3.68Å; F129-F136 HydrophobicContact CE2-CD1 3.68Å; F129-F136 HydrophobicContact CE2-CE1 4.45Å; F129-F136 AromaticContact CE2-CG 3.98Å; F129-F136 HydrophobicContact CE2-CG 3.98Å; P133-F136 PolarHBondContact O-N 3.43Å; F136-K138 VanDerWaalsContact C-N 3.29Å; F136-K138 PolarHBondContact O-N 2.94Å; F136-V139 CarbonylContact O-C 3.53Å; F136-V139 WeakPolarHBondContact O-CG2 3.33Å; F136-V139 PolarHBondContact O-N 3.44Å; F136-A140 HydrophobicContact CD1-CB 4.14Å; F136-A140 HydrophobicContact CE1-CB 3.72Å; F136-A140 HydrophobicContact CE2-CB 4.47Å; F136-A140 HydrophobicContact CZ-CB 3.91Å; F136-A140 WeakPolarHBondContact O-CB 3.4Å; F136-A140 PolarHBondContact O-N 3.41Å; F136-F193 HydrophobicContact CZ-CE1 4.35Å; F136-F193 HydrophobicContact CZ-CZ 4.45Å; F136-P230 HydrophobicContact CE1-CG 3.79Å; F136-P230 HydrophobicContact CZ-CG 3.99Å; F136-F234 HydrophobicContact CD2-CE1 4.42Å; F136-F234 HydrophobicContact CD2-CE2 4.35Å; F136-F234 AromaticContact CD2-CZ 3.57Å; F136-F234 HydrophobicContact CD2-CZ 3.57Å; F136-F234 HydrophobicContact CE2-CE1 4.02Å; F136-F234 AromaticContact CE2-CZ 3.58Å; F136-F234 HydrophobicContact CE2-CZ 3.58Å; F136-F234 HydrophobicContact CG-CZ 4.1Å; F136-F234 HydrophobicContact CZ-CE1 4.47Å; F136-F234 HydrophobicContact CZ-CZ 4.11Å
137Y92.7Very high87.2Confident0 Ų046.8 Ų46.80%026%0.262CS..Hα-helixtrans-70-22-176.6-80.7-67.9000114.7F129 P133 E134 V139 A140 I214 V219 P220 V227 M228 P230F129-Y137 HydrophobicContact CE2-CD2 4.4Å; F129-Y137 AromaticContact CE2-CE2 3.89Å; F129-Y137 HydrophobicContact CE2-CE2 3.89Å; F129-Y137 AromaticContact CZ-CE2 3.94Å; F129-Y137 HydrophobicContact CZ-CE2 3.94Å; P133-Y137 VanDerWaalsContact O-CD2 3.25Å; P133-Y137 WeakPolarHBondContact O-CD2 3.36Å; P133-Y137 PolarHBondContact O-N 3.17Å; E134-Y137 PolarHBondContact O-N 3.4Å; Y137-V139 PolarHBondContact O-N 3.29Å; Y137-A140 HydrophobicContact CD1-CB 4.23Å; Y137-I214 HydrophobicContact CD1-CG1 3.99Å; Y137-I214 HydrophobicContact CE1-CD1 4.39Å; Y137-I214 HydrophobicContact CE1-CG1 3.69Å; Y137-V219 HydrophobicContact CD2-CB 4.23Å; Y137-V219 HydrophobicContact CD2-CG1 4.07Å; Y137-V219 HydrophobicContact CD2-CG2 3.99Å; Y137-V219 HydrophobicContact CE2-CG1 4.18Å; Y137-V219 HydrophobicContact CG-CG2 4.47Å; Y137-P220 HydrophobicContact CD1-CG 4.45Å; Y137-P220 HydrophobicContact CE1-CG 3.6Å; Y137-P220 VanDerWaalsContact CE2-CD 3.41Å; Y137-P220 HydrophobicContact CE2-CG 4.01Å; Y137-P220 WeakPolarHBondContact OH-CD 3.46Å; Y137-P220 WeakPolarHBondContact OH-CG 3.03Å; Y137-V227 HydrophobicContact CE2-CG1 4.05Å; Y137-M228 PolarHBondContact OH-O 3.21Å; Y137-P230 WeakPolarHBondContact OH-CD 3.42Å
138K88.3Confident86.7Confident77 Ų7742 Ų4234%0.33524%0.236SC..Hα-helixtrans-64.3-25168.7-79.9169.2-171.7174.90112.5Y114 E134 L135 F136 Q217Y114-K138 HydrophobicContact CE1-CD 3.72Å; Y114-K138 WeakPolarHBondContact OH-CB 3.4Å; E134-K138 WeakPolarHBondContact O-CB 3.46Å; E134-K138 WeakPolarHBondContact O-CG 3.28Å; E134-K138 PolarHBondContact O-N 3.29Å; L135-K138 HydrophobicContact CD2-CD 4.28Å; L135-K138 PolarHBondContact O-N 3.11Å; F136-K138 VanDerWaalsContact C-N 3.29Å; F136-K138 PolarHBondContact O-N 2.94Å; K138-Q217 PolarHBondContact O-NE2 3.21Å
139V84.6Confident86.5Confident1 Ų149.1 Ų49.11%0.00626%0.262CS..Hα-helixtrans-113.5-23.1-170.9-490000111.9F106 L110 Y114 V123 L135 F136 Y137 K141 E142F106-V139 HydrophobicContact CE2-CB 3.99Å; F106-V139 HydrophobicContact CZ-CB 3.67Å; F106-V139 HydrophobicContact CZ-CG2 3.72Å; L110-V139 HydrophobicContact CD2-CB 3.72Å; L110-V139 HydrophobicContact CD2-CG1 3.11Å; L110-V139 HydrophobicContact CD2-CG2 4.32Å; L110-V139 HydrophobicContact CG-CG1 4.47Å; Y114-V139 HydrophobicContact CD2-CG1 4.42Å; Y114-V139 HydrophobicContact CE2-CG1 3.75Å; V123-V139 HydrophobicContact CG2-CG2 4.42Å; L135-V139 WeakPolarHBondContact O-CG1 3.43Å; F136-V139 CarbonylContact O-C 3.53Å; F136-V139 WeakPolarHBondContact O-CG2 3.33Å; F136-V139 PolarHBondContact O-N 3.44Å; Y137-V139 PolarHBondContact O-N 3.29Å; V139-K141 PolarHBondContact O-N 3.4Å; V139-K141 VanDerWaalsContact O-N 3.09Å; V139-E142 WeakPolarHBondContact O-CB 3.25Å; V139-E142 PolarHBondContact O-N 3.44Å
140A87.4Confident86.3Confident0 Ų050.4 Ų50.40%027%0.27CS..Hα-helixtrans-55.6-29.7178.800000113.3F136 Y137 E142 L143 Y144 I214F136-A140 HydrophobicContact CD1-CB 4.14Å; F136-A140 HydrophobicContact CE1-CB 3.72Å; F136-A140 HydrophobicContact CE2-CB 4.47Å; F136-A140 HydrophobicContact CZ-CB 3.91Å; F136-A140 WeakPolarHBondContact O-CB 3.4Å; F136-A140 PolarHBondContact O-N 3.41Å; Y137-A140 HydrophobicContact CD1-CB 4.23Å; A140-E142 VanDerWaalsContact C-N 3.26Å; A140-E142 PolarHBondContact O-N 3.37Å; A140-L143 CarbonylContact O-C 3.46Å; A140-L143 PolarHBondContact O-N 3.43Å; A140-L143 VanDerWaalsContact O-N 3.11Å; A140-Y144 WeakPolarHBondContact O-CB 3.31Å; A140-Y144 PolarHBondContact O-N 3.12Å; A140-I214 HydrophobicContact CB-CG2 3.94Å
141K84.5Confident86.4Confident103 Ų10346.7 Ų46.745%0.44825%0.25SS..Hα-helixtrans-56.7-40174.3178.4-177.7-179.6176.10112.5V139 L143 Y144 L215 Q217V139-K141 PolarHBondContact O-N 3.4Å; V139-K141 VanDerWaalsContact O-N 3.09Å; K141-L143 PolarHBondContact O-N 3.19Å; K141-Y144 PolarHBondContact O-N 3.23Å; K141-L215 WeakPolarHBondContact CD-O 3.35Å; K141-L215 HydrophobicContact CG-CD2 4.15Å; K141-Q217 HydrophobicContact CB-CG 4.31Å; K141-Q217 HydrophobicContact CD-CG 4.39Å
142E76.6Confident86.5Confident71 Ų7144 Ų4433%0.33223%0.232SC..Hα-helixtrans-74.8-21.4-178.9-62.5179.4-163.300112F106 M109 V139 A140F106-E142 HydrophobicContact CD2-CB 4.44Å; F106-E142 WeakPolarHBondContact CD2-OE2 3.17Å; F106-E142 HydrophobicContact CE2-CB 4.11Å; M109-E142 WeakPolarHBondContact CE-OE2 3.48Å; M109-E142 VanDerWaalsContact SD-OE1 3.42Å; V139-E142 WeakPolarHBondContact O-CB 3.25Å; V139-E142 PolarHBondContact O-N 3.44Å; A140-E142 VanDerWaalsContact C-N 3.26Å; A140-E142 PolarHBondContact O-N 3.37Å
143L77Confident86.7Confident16 Ų1640.5 Ų40.58%0.08422%0.216CC..Hα-helixtrans-91.1-17.8176.8-51.5-176.3000112.5F100 F106 F124 A140 K141 F193F100-L143 HydrophobicContact CE1-CD1 4.47Å; F100-L143 HydrophobicContact CE1-CD2 3.43Å; F100-L143 VanDerWaalsContact CE1-CD2 3.43Å; F100-L143 HydrophobicContact CE2-CD2 4.43Å; F100-L143 HydrophobicContact CZ-CD2 3.38Å; F106-L143 HydrophobicContact CD1-CD2 4.37Å; F106-L143 HydrophobicContact CD2-CD2 4.04Å; F106-L143 HydrophobicContact CE1-CD1 4.3Å; F106-L143 HydrophobicContact CE1-CD2 4.01Å; F106-L143 HydrophobicContact CE2-CD2 3.68Å; F106-L143 HydrophobicContact CE2-CG 4.12Å; F106-L143 HydrophobicContact CG-CD2 4.36Å; F106-L143 HydrophobicContact CZ-CD1 3.92Å; F106-L143 HydrophobicContact CZ-CD2 3.64Å; F106-L143 HydrophobicContact CZ-CG 3.88Å; F124-L143 HydrophobicContact CE1-CD1 3.67Å; F124-L143 HydrophobicContact CZ-CD1 3.53Å; A140-L143 CarbonylContact O-C 3.46Å; A140-L143 PolarHBondContact O-N 3.43Å; A140-L143 VanDerWaalsContact O-N 3.11Å; K141-L143 PolarHBondContact O-N 3.19Å; L143-F193 HydrophobicContact CB-CE2 3.9Å; L143-F193 HydrophobicContact CB-CZ 3.89Å; L143-F193 WeakPolarHBondContact O-CE2 3.33Å
144Y81.7Confident86.8Confident26 Ų2639.7 Ų39.710%0.10221%0.211CC..SBendtrans-70.1129.5-173.4-159-95.8000109.8A140 K141 A146 F193 E211 I214 L215A140-Y144 WeakPolarHBondContact O-CB 3.31Å; A140-Y144 PolarHBondContact O-N 3.12Å; K141-Y144 PolarHBondContact O-N 3.23Å; Y144-A146 HydrophobicContact CD1-CB 4.19Å; Y144-A146 PolarHBondContact O-N 3.42Å; Y144-F193 HydrophobicContact CD2-CB 4.38Å; Y144-F193 AromaticContact CD2-CD1 3.7Å; Y144-F193 HydrophobicContact CD2-CD1 3.7Å; Y144-F193 HydrophobicContact CD2-CE1 4.06Å; Y144-F193 HydrophobicContact CD2-CG 4Å; Y144-F193 HydrophobicContact CE2-CB 4.08Å; Y144-F193 AromaticContact CE2-CD1 3.89Å; Y144-F193 HydrophobicContact CE2-CD1 3.89Å; Y144-F193 HydrophobicContact CE2-CG 4.15Å; Y144-E211 HydrophobicContact CD1-CG 4.28Å; Y144-E211 HydrophobicContact CE1-CB 4.12Å; Y144-E211 HydrophobicContact CE1-CG 3.47Å; Y144-E211 VanDerWaalsContact CE1-CG 3.47Å; Y144-E211 WeakPolarHBondContact OH-CB 3.3Å; Y144-I214 HydrophobicContact CD2-CB 4.37Å; Y144-I214 HydrophobicContact CD2-CD1 3.68Å; Y144-I214 HydrophobicContact CD2-CG2 3.83Å; Y144-I214 HydrophobicContact CE2-CD1 3.55Å; Y144-I214 HydrophobicContact CG-CG2 4.12Å; Y144-L215 HydrophobicContact CD1-CD2 4.25Å
145P75.5Confident86.9Confident15 Ų1540.2 Ų40.210%0.09721%0.213CC..  trans-79.445.2-168.231.8-36.7000114.5L148 D175 K180P145-L148 HydrophobicContact CB-CD1 4.04Å; P145-D175 WeakPolarHBondContact CB-O 3.41Å; P145-K180 PolarHBondContact O-NZ 3.24Å
146A75.9Confident87.3Confident55 Ų5539 Ų3946%0.45521%0.207SC..SBendtrans-80.9120.3178.100000110.8Y144 L148Y144-A146 HydrophobicContact CD1-CB 4.19Å; Y144-A146 PolarHBondContact O-N 3.42Å; A146-L148 PolarHBondContact O-N 3.25Å
147G78.7Confident87.6Confident78 Ų7839 Ų3980%0.80421%0.207SC*.SBendtrans75.51173.700000116.2
148L82.6Confident87.8Confident32 Ų3239.1 Ų39.117%0.16821%0.208CC..  trans-69.5144.7176-55.4176.6000111.6C95 V97 P145 A146 D175 L177C95-L148 VanDerWaalsContact O-CD2 3.29Å; C95-L148 WeakPolarHBondContact O-CD2 3.48Å; V97-L148 HydrophobicContact CG2-CD1 3.67Å; V97-L148 HydrophobicContact CG2-CD2 3.95Å; V97-L148 HydrophobicContact CG2-CG 4.36Å; P145-L148 HydrophobicContact CB-CD1 4.04Å; A146-L148 PolarHBondContact O-N 3.25Å; L148-D175 HydrophobicContact CD1-CB 4.18Å; L148-L177 HydrophobicContact CB-CD1 4.47Å; L148-L177 HydrophobicContact CB-CD2 3.75Å; L148-L177 HydrophobicContact CB-CG 4.48Å
149R88.3Confident88.3Confident190 Ų19036.4 Ų36.472%0.71720%0.197SC*.  trans-116.3143.5176.9-65.9-176.7-178.1177.70.4110.9C95C95-R149 WeakPolarHBondContact CA-O 3.4Å; C95-R149 PolarHBondContact SG-O 3.41Å
150P91.9Very high88.9Confident27 Ų2736.3 Ų36.318%0.17520%0.197CC..  trans-66.1142.8177.6-18.330.6000112.8H154 Q155 L177 K180 A181P150-H154 HydrophobicContact CB-CB 3.65Å; P150-Q155 PolarHBondContact O-NE2 3.15Å; P150-L177 HydrophobicContact CG-CD2 4.33Å; P150-K180 HydrophobicContact CG-CB 3.82Å; P150-A181 HydrophobicContact CB-CB 3.74Å; P150-A181 HydrophobicContact CG-CB 3.94Å
151S93.9Very high89.4Confident0 Ų037.2 Ų37.20%020%0.201CC..  trans-70172.6175.559.80000112.6V89 C95 T153 H154 Q155V89-S151 WeakPolarHBondContact O-CB 3.3Å; V89-S151 PolarHBondContact O-OG 3.37Å; C95-S151 VanDerWaalsContact SG-CA 3.55Å; C95-S151 WeakPolarHBondContact SG-CB 3.33Å; C95-S151 PolarHBondContact SG-N 2.95Å; S151-T153 PolarHBondContact O-N 2.86Å; S151-T153 PolarHBondContact OG-N 3.47Å; S151-H154 PolarHBondContact N-ND1 3.17Å; S151-H154 PolarHBondContact O-N 3.29Å; S151-H154 PolarHBondContact OG-N 2.93Å; S151-H154 PolarHBondContact OG-ND1 3.49Å; S151-Q155 WeakPolarHBondContact O-CG 3.44Å; S151-Q155 PolarHBondContact O-N 3.14Å; S151-Q155 VanDerWaalsContact O-N 3.12Å
152L94.7Very high90.1Very high45 Ų4540 Ų4024%0.23621%0.213CC..Hα-helixtrans-56.1-41.6167178.664000111H154 Q155 F156 D303 V306 M310 L317L152-H154 PolarHBondContact O-N 2.65Å; L152-Q155 PolarHBondContact O-N 3.43Å; L152-F156 WeakPolarHBondContact O-CB 3.3Å; L152-F156 PolarHBondContact O-N 3.12Å; L152-D303 HydrophobicContact CB-CB 4.36Å; L152-V306 HydrophobicContact CD2-CG1 4.27Å; L152-V306 HydrophobicContact CG-CG1 3.9Å; L152-M310 HydrophobicContact CD1-SD 3.89Å; L152-L317 HydrophobicContact CD1-CD1 3.34Å
153T96.1Very high91Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-58.9-43.3177-58.30000112.5V89 S151 F156 F157 V260 C302 D303 V306V89-T153 HydrophobicContact CB-CG2 4.3Å; V89-T153 HydrophobicContact CG1-CG2 3.63Å; V89-T153 HydrophobicContact CG2-CG2 4.07Å; S151-T153 PolarHBondContact O-N 2.86Å; S151-T153 PolarHBondContact OG-N 3.47Å; T153-F156 PolarHBondContact O-N 2.88Å; T153-F157 HydrophobicContact CG2-CD2 4.01Å; T153-F157 HydrophobicContact CG2-CE2 3.58Å; T153-F157 WeakPolarHBondContact O-CD2 3.48Å; T153-F157 PolarHBondContact O-N 3.16Å; T153-V260 HydrophobicContact CG2-CG1 4.16Å; T153-C302 HydrophobicContact CG2-CB 4.35Å; T153-C302 WeakPolarHBondContact OG1-CB 3.44Å; T153-D303 WeakPolarHBondContact CB-OD1 3.5Å; T153-D303 PolarHBondContact N-OD1 3.41Å; T153-D303 PolarHBondContact OG1-N 3.39Å; T153-D303 PolarHBondContact OG1-OD1 3.2Å; T153-V306 HydrophobicContact CG2-CG2 4.07Å
154H96.6Very high92Very high0 Ų049 Ų490%025%0.253CS..Hα-helixtrans-62.2-46.7174.6-70.397.3000111.8V89 S90 P150 S151 L152 F156 F157 A158 L177 E178 A181V89-H154 PolarHBondContact O-CE1 2.9Å; S90-H154 PolarHBondContact OG-CE1 3.31Å; P150-H154 HydrophobicContact CB-CB 3.65Å; S151-H154 PolarHBondContact N-ND1 3.17Å; S151-H154 PolarHBondContact O-N 3.29Å; S151-H154 PolarHBondContact OG-N 2.93Å; S151-H154 PolarHBondContact OG-ND1 3.49Å; L152-H154 PolarHBondContact O-N 2.65Å; H154-F156 VanDerWaalsContact C-N 3.28Å; H154-F156 PolarHBondContact O-N 3.45Å; H154-F157 PolarHBondContact O-N 2.93Å; H154-A158 PolarHBondContact O-N 2.93Å; H154-L177 WeakPolarHBondContact NE2-CB 3.4Å; H154-E178 IonicContact NE2-OE1 2.81Å; H154-A181 HydrophobicContact CB-CB 3.7Å
155Q96.3Very high92.8Very high80 Ų8049.6 Ų49.637%0.37426%0.257SS..Hα-helixtrans-62.4-36.8-179.5-67.3173.446.900111.8P150 S151 L152 A158 L159 L317P150-Q155 PolarHBondContact O-NE2 3.15Å; S151-Q155 WeakPolarHBondContact O-CG 3.44Å; S151-Q155 PolarHBondContact O-N 3.14Å; S151-Q155 VanDerWaalsContact O-N 3.12Å; L152-Q155 PolarHBondContact O-N 3.43Å; Q155-A158 PolarHBondContact O-N 2.85Å; Q155-L159 PolarHBondContact O-N 2.82Å; Q155-L317 HydrophobicContact CB-CD1 3.6Å; Q155-L317 HydrophobicContact CB-CD2 3.85Å; Q155-L317 HydrophobicContact CB-CG 4.37Å
156F97.4Very high93.9Very high2 Ų249.3 Ų49.31%0.00925%0.254CS..Hα-helixtrans-61.8-45.3174.1173.2-110.6000112.5I75 L152 T153 H154 A158 L159 L160 V306 M310 M313I75-F156 HydrophobicContact CD1-CE1 4.42Å; I75-F156 HydrophobicContact CD1-CZ 4.1Å; I75-F156 HydrophobicContact CG2-CZ 4.47Å; L152-F156 WeakPolarHBondContact O-CB 3.3Å; L152-F156 PolarHBondContact O-N 3.12Å; T153-F156 PolarHBondContact O-N 2.88Å; H154-F156 VanDerWaalsContact C-N 3.28Å; H154-F156 PolarHBondContact O-N 3.45Å; F156-A158 VanDerWaalsContact C-N 3.34Å; F156-A158 PolarHBondContact O-N 2.86Å; F156-L159 WeakPolarHBondContact O-CB 3.28Å; F156-L159 PolarHBondContact O-N 2.79Å; F156-L159 VanDerWaalsContact O-N 3.17Å; F156-L160 HydrophobicContact CD1-CD1 4.32Å; F156-L160 HydrophobicContact CE1-CD1 3.64Å; F156-L160 HydrophobicContact CE1-CG 4.22Å; F156-L160 HydrophobicContact CE2-CD1 4.36Å; F156-L160 HydrophobicContact CE2-CD2 4.17Å; F156-L160 HydrophobicContact CE2-CG 4.18Å; F156-L160 HydrophobicContact CZ-CD1 3.68Å; F156-L160 HydrophobicContact CZ-CD2 4.16Å; F156-L160 HydrophobicContact CZ-CG 4Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 3.11Å; F156-V306 HydrophobicContact CB-CG1 3.37Å; F156-V306 HydrophobicContact CD1-CG1 4.03Å; F156-V306 HydrophobicContact CD1-CG2 4.09Å; F156-V306 HydrophobicContact CD2-CG1 4.14Å; F156-V306 HydrophobicContact CG-CG1 3.59Å; F156-V306 HydrophobicContact CG-CG2 4.49Å; F156-M310 HydrophobicContact CB-SD 4.47Å; F156-M310 HydrophobicContact CD2-CG 3.62Å; F156-M310 HydrophobicContact CD2-SD 4.21Å; F156-M310 HydrophobicContact CE2-CG 4.05Å; F156-M313 HydrophobicContact CE2-CE 4.41Å; F156-M313 HydrophobicContact CE2-SD 4.26Å; F156-M313 HydrophobicContact CZ-SD 4.28Å
157F98.1Very high95Very high1 Ų147.6 Ų47.60%0.00424%0.237CC..Hα-helixtrans-68.6-33.8176.8-70-55.4000112.8V83 T153 H154 L159 L160 E161 M169 I183 L258 V260V83-F157 HydrophobicContact CB-CE1 4.46Å; V83-F157 HydrophobicContact CG1-CD2 4.45Å; V83-F157 HydrophobicContact CG1-CE1 4.12Å; V83-F157 HydrophobicContact CG1-CE2 4.01Å; V83-F157 HydrophobicContact CG1-CZ 3.85Å; V83-F157 HydrophobicContact CG2-CD1 3.69Å; V83-F157 HydrophobicContact CG2-CE1 3.48Å; V83-F157 VanDerWaalsContact CG2-CE1 3.48Å; V83-F157 HydrophobicContact CG2-CG 4.47Å; V83-F157 HydrophobicContact CG2-CZ 4.08Å; T153-F157 HydrophobicContact CG2-CD2 4.01Å; T153-F157 HydrophobicContact CG2-CE2 3.58Å; T153-F157 WeakPolarHBondContact O-CD2 3.48Å; T153-F157 PolarHBondContact O-N 3.16Å; H154-F157 PolarHBondContact O-N 2.93Å; F157-L159 VanDerWaalsContact C-N 3.32Å; F157-L159 PolarHBondContact O-N 2.91Å; F157-L160 HydrophobicContact CD1-CD1 4.05Å; F157-L160 HydrophobicContact CE1-CD1 4.26Å; F157-L160 PolarHBondContact O-N 3.16Å; F157-E161 PolarHBondContact O-N 3.28Å; F157-M169 HydrophobicContact CB-SD 4.42Å; F157-M169 HydrophobicContact CD2-CE 4.45Å; F157-I183 HydrophobicContact CB-CD1 3.76Å; F157-L258 HydrophobicContact CE1-CD1 4Å; F157-L258 HydrophobicContact CZ-CD1 4.49Å; F157-V260 HydrophobicContact CE2-CG1 4.47Å; F157-V260 HydrophobicContact CE2-CG2 4.37Å; F157-V260 HydrophobicContact CZ-CG2 3.93Å
158A98.1Very high95.9Very high3 Ų345.2 Ų45.23%0.02520%0.204CC..Hα-helixtrans-62.4-39.5169.700000111.9H154 Q155 F156 E161 K162 A181 I183H154-A158 PolarHBondContact O-N 2.93Å; Q155-A158 PolarHBondContact O-N 2.85Å; F156-A158 VanDerWaalsContact C-N 3.34Å; F156-A158 PolarHBondContact O-N 2.86Å; A158-E161 PolarHBondContact O-N 3.42Å; A158-K162 WeakPolarHBondContact O-CG 3.33Å; A158-K162 PolarHBondContact O-N 3.5Å; A158-A181 HydrophobicContact CB-CB 4.38Å; A158-A181 WeakPolarHBondContact CB-O 3.21Å; A158-I183 HydrophobicContact CB-CG1 3.78Å
159L97.9Very high96.7Very high19 Ų1943.7 Ų43.710%0.09920%0.196CC..Hα-helixtrans-62.6-46.4173176.165.2000111.3Q155 F156 F157 E161 K162 R163 E315 L317Q155-L159 PolarHBondContact O-N 2.82Å; F156-L159 WeakPolarHBondContact O-CB 3.28Å; F156-L159 PolarHBondContact O-N 2.79Å; F156-L159 VanDerWaalsContact O-N 3.17Å; F157-L159 VanDerWaalsContact C-N 3.32Å; F157-L159 PolarHBondContact O-N 2.91Å; L159-E161 VanDerWaalsContact C-N 3.27Å; L159-E161 PolarHBondContact O-N 2.78Å; L159-K162 WeakPolarHBondContact O-CB 3.37Å; L159-K162 PolarHBondContact O-N 3.42Å; L159-K162 VanDerWaalsContact O-N 3.14Å; L159-R163 HydrophobicContact CD1-CG 4.4Å; L159-R163 VanDerWaalsContact O-CG 3.31Å; L159-R163 WeakPolarHBondContact O-CG 3.32Å; L159-R163 PolarHBondContact O-N 3.42Å; L159-E315 HydrophobicContact CD2-CB 3.86Å; L159-E315 HydrophobicContact CD2-CG 4.18Å; L159-L317 HydrophobicContact CB-CD2 4.11Å; L159-L317 HydrophobicContact CD2-CD2 4.38Å
160L98.1Very high97.1Very high0 Ų034.7 Ų34.70%016%0.162CC..Hα-helixtrans-61.3-35.4177.1-68.3-171.1000112.5I75 I81 F156 F157 R163 N164 K165 L166 M313I75-L160 HydrophobicContact CG2-CD1 3.95Å; I75-L160 HydrophobicContact CG2-CD2 3.87Å; I81-L160 HydrophobicContact CD1-CD1 4.3Å; F156-L160 HydrophobicContact CD1-CD1 4.32Å; F156-L160 HydrophobicContact CE1-CD1 3.64Å; F156-L160 HydrophobicContact CE1-CG 4.22Å; F156-L160 HydrophobicContact CE2-CD1 4.36Å; F156-L160 HydrophobicContact CE2-CD2 4.17Å; F156-L160 HydrophobicContact CE2-CG 4.18Å; F156-L160 HydrophobicContact CZ-CD1 3.68Å; F156-L160 HydrophobicContact CZ-CD2 4.16Å; F156-L160 HydrophobicContact CZ-CG 4Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 3.11Å; F157-L160 HydrophobicContact CD1-CD1 4.05Å; F157-L160 HydrophobicContact CE1-CD1 4.26Å; F157-L160 PolarHBondContact O-N 3.16Å; L160-R163 CarbonylContact O-C 3.11Å; L160-R163 PolarHBondContact O-N 2.82Å; L160-N164 PolarHBondContact O-N 3.36Å; L160-K165 HydrophobicContact CB-CB 4.45Å; L160-K165 HydrophobicContact CD2-CD 4.19Å; L160-K165 WeakPolarHBondContact O-CB 3.49Å; L160-K165 PolarHBondContact O-N 2.96Å; L160-L166 PolarHBondContact O-N 3.27Å; L160-M313 HydrophobicContact CD2-CE 4.13Å
161E98.2Very high97.3Very high19 Ų1933.4 Ų33.49%0.08915%0.153CC..Hα-helixtrans-63.9-48171.8-172.5173-120.600111.7F157 A158 L159 R163 N164 L166 I183 N184 N185F157-E161 PolarHBondContact O-N 3.28Å; A158-E161 PolarHBondContact O-N 3.42Å; L159-E161 VanDerWaalsContact C-N 3.27Å; L159-E161 PolarHBondContact O-N 2.78Å; E161-R163 PolarHBondContact O-N 2.84Å; E161-R163 VanDerWaalsContact O-N 3.14Å; E161-N164 WeakPolarHBondContact O-CA 3.48Å; E161-N164 PolarHBondContact O-N 3.31Å; E161-L166 HydrophobicContact CB-CB 3.96Å; E161-L166 HydrophobicContact CB-CD2 3.97Å; E161-I183 WeakPolarHBondContact OE2-CA 3.33Å; E161-N184 PolarHBondContact OE1-N 2.96Å; E161-N184 PolarHBondContact OE2-N 3.46Å; E161-N184 PolarHBondContact OE2-ND2 2.72Å; E161-N185 WeakPolarHBondContact OE1-CB 3.49Å; E161-N185 PolarHBondContact OE1-N 3.12Å; E161-N185 PolarHBondContact OE1-ND2 2.84Å
162K97.6Very high97.3Very high160 Ų16034.4 Ų34.470%0.69616%0.158SC*.Hα-helixtrans-57.9-28.5175-71.4173.7-177.2174.40112.7A158 L159 N164A158-K162 WeakPolarHBondContact O-CG 3.33Å; A158-K162 PolarHBondContact O-N 3.5Å; L159-K162 WeakPolarHBondContact O-CB 3.37Å; L159-K162 PolarHBondContact O-N 3.42Å; L159-K162 VanDerWaalsContact O-N 3.14Å; K162-N164 VanDerWaalsContact C-N 3.27Å; K162-N164 PolarHBondContact O-N 3.2Å
163R96.9Very high97.1Very high135 Ų13532.8 Ų32.851%0.50915%0.15SC..THydrogen-bonded Turntrans-83.36.4174-62.6-65.1-165.1-165.3-1.3113.8L159 L160 E161 K165 E315L159-R163 HydrophobicContact CD1-CG 4.4Å; L159-R163 VanDerWaalsContact O-CG 3.31Å; L159-R163 WeakPolarHBondContact O-CG 3.32Å; L159-R163 PolarHBondContact O-N 3.42Å; L160-R163 CarbonylContact O-C 3.11Å; L160-R163 PolarHBondContact O-N 2.82Å; E161-R163 PolarHBondContact O-N 2.84Å; E161-R163 VanDerWaalsContact O-N 3.14Å; R163-K165 VanDerWaalsContact C-N 3.28Å; R163-K165 HydrophobicContact CB-CD 4.2Å; R163-K165 HydrophobicContact CB-CG 4.23Å; R163-K165 PolarHBondContact O-N 3.27Å; R163-E315 IonicContact CZ-OE1 3.69Å; R163-E315 IonicContact CZ-OE2 3.62Å; R163-E315 IonicContact NE-OE1 3.09Å; R163-E315 PolarHBondContact NE-OE1 2.89Å; R163-E315 VanDerWaalsContact NE-OE1 3.09Å; R163-E315 IonicContact NE-OE2 3.56Å; R163-E315 IonicContact NH2-OE1 3.55Å; R163-E315 IonicContact NH2-OE2 2.82Å; R163-E315 PolarHBondContact NH2-OE2 3.13Å
164N97.7Very high96.8Very high143 Ų14334 Ų3477%0.76516%0.157SC*.THydrogen-bonded Turntrans56.636.7-176.1-59.6-66000113.6L160 E161 K162L160-N164 PolarHBondContact O-N 3.36Å; E161-N164 WeakPolarHBondContact O-CA 3.48Å; E161-N164 PolarHBondContact O-N 3.31Å; K162-N164 VanDerWaalsContact C-N 3.27Å; K162-N164 PolarHBondContact O-N 3.2Å
165K98.4Very high96.3Very high38 Ų3834.6 Ų34.617%0.16516%0.16CC..  trans-107.6-32.7179.5-67.4178.5160.7-71.20113.2I75 M76 S78 K79 I81 L160 R163 L167I75-K165 PolarHBondContact O-NZ 3.32Å; I75-K165 VanDerWaalsContact O-NZ 3.09Å; M76-K165 PolarHBondContact O-NZ 2.89Å; S78-K165 PolarHBondContact O-NZ 3.45Å; K79-K165 CarbonylContact C-O 3.59Å; I81-K165 WeakPolarHBondContact CB-O 3.45Å; I81-K165 HydrophobicContact CD1-CB 4.09Å; I81-K165 WeakPolarHBondContact CG1-O 3.46Å; I81-K165 PolarHBondContact N-O 2.83Å; L160-K165 HydrophobicContact CB-CB 4.45Å; L160-K165 HydrophobicContact CD2-CD 4.19Å; L160-K165 WeakPolarHBondContact O-CB 3.49Å; L160-K165 PolarHBondContact O-N 2.96Å; R163-K165 VanDerWaalsContact C-N 3.28Å; R163-K165 HydrophobicContact CB-CD 4.2Å; R163-K165 HydrophobicContact CB-CG 4.23Å; R163-K165 PolarHBondContact O-N 3.27Å; K165-L167 PolarHBondContact O-N 3.33Å
166L98.7Very high96Very high8 Ų831.6 Ų31.64%0.04215%0.148CC..EExtended strand (participates in β ladder)trans-75.4114.6178.1-173.168.5000109.7V83 L160 E161 M169 I183V83-L166 HydrophobicContact CB-CD1 4.33Å; V83-L166 HydrophobicContact CG2-CD1 3.55Å; L160-L166 PolarHBondContact O-N 3.27Å; E161-L166 HydrophobicContact CB-CB 3.96Å; E161-L166 HydrophobicContact CB-CD2 3.97Å; L166-M169 HydrophobicContact CD2-CB 4.41Å; L166-I183 HydrophobicContact CD2-CG2 3.79Å
167L98.6Very high95.7Very high19 Ų1931.5 Ų31.510%0.09915%0.147CC..EExtended strand (participates in β ladder)trans-77.1-49.3170.5175.160.6000110.5R80 I81 V82 K165 D250 R253 L254R80-L167 HydrophobicContact CB-CB 4.17Å; R80-L167 HydrophobicContact CB-CD2 4.17Å; I81-L167 WeakPolarHBondContact O-CB 3.48Å; I81-L167 PolarHBondContact O-N 2.93Å; V82-L167 HydrophobicContact CG2-CB 4.31Å; V82-L167 HydrophobicContact CG2-CD2 3.93Å; V82-L167 HydrophobicContact CG2-CG 4.33Å; K165-L167 PolarHBondContact O-N 3.33Å; L167-D250 HydrophobicContact CD2-CB 4.08Å; L167-R253 HydrophobicContact CD2-CB 4.02Å; L167-L254 HydrophobicContact CD2-CB 4.28Å
168R98.4Very high95.5Very high29 Ų2931.5 Ų31.511%0.10915%0.147CC..EExtended strand (participates in β ladder)trans-160.9146.1179.8-157.474.767.9-176.2-7.3111.9I81 V82 V83 Y170 N185 V187 D250I81-R168 PolarHBondContact O-N 3.32Å; V82-R168 WeakPolarHBondContact CA-O 3.29Å; V83-R168 PolarHBondContact N-O 3.24Å; R168-Y170 HydrophobicContact CB-CD2 4.25Å; R168-Y170 HydrophobicContact CB-CE2 3.7Å; R168-Y170 HydrophobicContact CG-CD2 4.08Å; R168-Y170 HydrophobicContact CG-CE1 4.48Å; R168-Y170 HydrophobicContact CG-CE2 3.59Å; R168-N185 CarbonylContact C-O 3.44Å; R168-N185 WeakPolarHBondContact CA-O 3.43Å; R168-N185 VanDerWaalsContact CD-O 3.3Å; R168-N185 WeakPolarHBondContact CD-O 3.46Å; R168-V187 HydrophobicContact CG-CG2 4.03Å; R168-D250 VanDerWaalsContact CB-OD2 3.27Å; R168-D250 WeakPolarHBondContact CB-OD2 3.43Å; R168-D250 WeakPolarHBondContact CG-OD2 2.97Å; R168-D250 IonicContact CZ-OD2 3.63Å; R168-D250 IonicContact NE-OD2 3.84Å; R168-D250 PolarHBondContact NE-OD2 3.01Å; R168-D250 IonicContact NH2-OD1 3.91Å; R168-D250 IonicContact NH2-OD2 3.36Å
169M98.4Very high95.3Very high0 Ų036.6 Ų36.60%017%0.17CC..EExtended strand (participates in β ladder)trans-110.4113.6164.7-175.1169.8178.200110.1V83 A85 V89 F157 L166 E178 I183 N185 V186 V187V83-M169 HydrophobicContact CB-CB 4.43Å; V83-M169 HydrophobicContact CB-CG 4.22Å; V83-M169 HydrophobicContact CG1-CG 4.3Å; V83-M169 CarbonylContact O-C 3.51Å; V83-M169 WeakPolarHBondContact O-CA 3.42Å; A85-M169 HydrophobicContact CB-CE 3.34Å; A85-M169 HydrophobicContact CB-CG 4.45Å; V89-M169 HydrophobicContact CG1-CE 4.41Å; F157-M169 HydrophobicContact CB-SD 4.42Å; F157-M169 HydrophobicContact CD2-CE 4.45Å; L166-M169 HydrophobicContact CD2-CB 4.41Å; M169-E178 HydrophobicContact CE-CG 3.56Å; M169-E178 HydrophobicContact SD-CB 4.47Å; M169-E178 HydrophobicContact SD-CG 3.76Å; M169-I183 HydrophobicContact CB-CG2 4.48Å; M169-I183 HydrophobicContact SD-CD1 3.61Å; M169-N185 PolarHBondContact N-O 3.16Å; M169-V186 CarbonylContact O-C 3.23Å; M169-V186 WeakPolarHBondContact O-CA 3.41Å; M169-V187 PolarHBondContact O-N 3.35Å
170Y98Very high95Very high0 Ų040.5 Ų40.50%019%0.186CC..EExtended strand (participates in β ladder)trans-91.6102.2171-68.7-88.1000108.5V82 V83 V84 A85 R168 V187 F243 Y246 I247 D250 I272V82-Y170 HydrophobicContact CG1-CD2 3.68Å; V82-Y170 HydrophobicContact CG1-CE2 3.8Å; V83-Y170 PolarHBondContact O-N 3.49Å; V84-Y170 CarbonylContact C-O 3.55Å; V84-Y170 WeakPolarHBondContact CA-O 3.38Å; A85-Y170 PolarHBondContact N-O 2.86Å; R168-Y170 HydrophobicContact CB-CD2 4.25Å; R168-Y170 HydrophobicContact CB-CE2 3.7Å; R168-Y170 HydrophobicContact CG-CD2 4.08Å; R168-Y170 HydrophobicContact CG-CE1 4.48Å; R168-Y170 HydrophobicContact CG-CE2 3.59Å; Y170-V187 HydrophobicContact CD1-CB 3.83Å; Y170-V187 HydrophobicContact CD1-CG1 3.97Å; Y170-V187 HydrophobicContact CD1-CG2 4.32Å; Y170-V187 HydrophobicContact CE1-CB 4.05Å; Y170-V187 HydrophobicContact CE1-CG1 4.16Å; Y170-V187 HydrophobicContact CE1-CG2 4.04Å; Y170-F243 AromaticContact CD1-CD2 3.92Å; Y170-F243 HydrophobicContact CD1-CD2 3.92Å; Y170-F243 HydrophobicContact CD1-CE2 4Å; Y170-F243 HydrophobicContact CE1-CD2 4.2Å; Y170-F243 HydrophobicContact CE1-CE2 4.41Å; Y170-Y246 WeakPolarHBondContact OH-CB 3.26Å; Y170-Y246 PolarHBondContact OH-O 2.95Å; Y170-I247 HydrophobicContact CD1-CD1 4.24Å; Y170-I247 HydrophobicContact CD2-CD1 4.39Å; Y170-I247 HydrophobicContact CE1-CB 4.29Å; Y170-I247 HydrophobicContact CE1-CD1 3.69Å; Y170-I247 HydrophobicContact CE2-CD1 3.89Å; Y170-I247 VanDerWaalsContact OH-CA 3.3Å; Y170-I247 WeakPolarHBondContact OH-CA 3.36Å; Y170-I247 PolarHBondContact OH-N 3.2Å; Y170-D250 PolarHBondContact OH-OD2 3.43Å; Y170-I272 HydrophobicContact CD1-CD1 4.44Å; Y170-I272 HydrophobicContact CG-CD1 4.21Å
171T96.2Very high94.8Very high0 Ų041.4 Ų41.40%019%0.194CC..EExtended strand (participates in β ladder)trans-101.5136.1-178.1-170.10000111.5N173 E178 V186 V187 Y188 C189T171-N173 VanDerWaalsContact C-N 3.28Å; T171-N173 WeakPolarHBondContact OG1-CB 3.24Å; T171-N173 PolarHBondContact OG1-N 3.23Å; T171-N173 PolarHBondContact OG1-ND2 3.33Å; T171-E178 VanDerWaalsContact CB-OE1 3.26Å; T171-E178 WeakPolarHBondContact CB-OE1 3.46Å; T171-E178 HydrophobicContact CG2-CG 4.34Å; T171-E178 WeakPolarHBondContact CG2-OE1 3.38Å; T171-E178 PolarHBondContact OG1-OE1 3.4Å; T171-V186 HydrophobicContact CG2-CG2 3.79Å; T171-V187 PolarHBondContact N-O 3.11Å; T171-Y188 HydrophobicContact CG2-CD1 3.39Å; T171-Y188 HydrophobicContact CG2-CE1 3.54Å; T171-Y188 HydrophobicContact CG2-CG 4.13Å; T171-C189 WeakPolarHBondContact O-CB 3.45Å; T171-C189 PolarHBondContact O-N 3.15Å
172Q92.9Very high94.7Very high22 Ų2242 Ų4210%0.10321%0.205CC..  trans-85.5-6.7169.6-68.8164.889.400112.1A85 H190 T262 V269A85-Q172 PolarHBondContact O-N 3.06Å; A85-Q172 PolarHBondContact O-NE2 2.9Å; A85-Q172 VanDerWaalsContact O-NE2 3.13Å; Q172-H190 PolarHBondContact O-ND1 3.18Å; Q172-H190 VanDerWaalsContact O-ND1 3.14Å; Q172-T262 PolarHBondContact NE2-OG1 2.83Å; Q172-V269 HydrophobicContact CG-CB 4.23Å; Q172-V269 HydrophobicContact CG-CG1 3.77Å; Q172-V269 HydrophobicContact CG-CG2 4.25Å
173N91Very high94.7Very high11 Ų1134.4 Ų34.46%0.05917%0.172CC..  trans-77.2154.3-178.8-58.3-24.6000110.3G86 A87 S90 T171 Y188G86-N173 WeakPolarHBondContact CA-OD1 3.21Å; G86-N173 PolarHBondContact O-ND2 2.9Å; G86-N173 VanDerWaalsContact O-ND2 3.14Å; G86-N173 PolarHBondContact O-OD1 2.72Å; A87-N173 WeakPolarHBondContact CA-OD1 3.37Å; A87-N173 PolarHBondContact N-OD1 2.81Å; S90-N173 PolarHBondContact OG-ND2 3.17Å; T171-N173 VanDerWaalsContact C-N 3.28Å; T171-N173 WeakPolarHBondContact OG1-CB 3.24Å; T171-N173 PolarHBondContact OG1-N 3.23Å; T171-N173 PolarHBondContact OG1-ND2 3.33Å; N173-Y188 WeakPolarHBondContact O-CD1 3.41Å
174V89.2Confident94.7Very high24 Ų2434.1 Ų34.115%0.14518%0.181CC..  trans-118.44.9178.8-58.40000111.9H190 F193 I232V174-H190 HydrophobicContact CG1-CB 4.26Å; V174-F193 HydrophobicContact CG2-CD2 4.47Å; V174-F193 HydrophobicContact CG2-CE2 4.14Å; V174-I232 HydrophobicContact CB-CD1 4.32Å; V174-I232 HydrophobicContact CB-CG1 4.26Å; V174-I232 HydrophobicContact CG1-CG1 4.19Å; V174-I232 HydrophobicContact CG1-CG2 3.93Å; V174-I232 HydrophobicContact CG2-CD1 4.32Å
175D86.8Confident94.7Very high13 Ų1330.2 Ų30.27%0.0716%0.16CC..SBendtrans-85.3-6.1-171.358.934.6000114.2S90 P145 L148 L177S90-D175 VanDerWaalsContact CB-OD2 3.24Å; S90-D175 WeakPolarHBondContact CB-OD2 3.02Å; S90-D175 PolarHBondContact OG-OD2 2.79Å; P145-D175 WeakPolarHBondContact CB-O 3.41Å; L148-D175 HydrophobicContact CD1-CB 4.18Å; D175-L177 HydrophobicContact CB-CD1 4.49Å; D175-L177 HydrophobicContact CB-CG 4.28Å; D175-L177 PolarHBondContact O-N 2.83Å; D175-L177 VanDerWaalsContact O-N 3.16Å; D175-L177 WeakPolarHBondContact OD1-CB 3.4Å; D175-L177 WeakPolarHBondContact OD1-CG 2.99Å; D175-L177 PolarHBondContact OD1-N 3.33Å
176T88.7Confident94.7Very high18 Ų1829.3 Ų29.311%0.1116%0.158CC..  trans55.225.7179.271.10000115.2E178 K180 Y188T176-E178 VanDerWaalsContact C-N 3.28Å; T176-E178 PolarHBondContact O-N 3.14Å; T176-K180 PolarHBondContact O-N 3.03Å; T176-Y188 WeakPolarHBondContact CA-OH 3.46Å; T176-Y188 HydrophobicContact CG2-CE1 4.37Å
177L91.3Very high94.6Very high0 Ų029 Ų290%016%0.156CC..Hα-helixtrans-70.5-23.6179.2-72.9178.1000113.2C95 V97 L148 P150 H154 D175 K180 A181C95-L177 HydrophobicContact CB-CD1 4.44Å; V97-L177 HydrophobicContact CG2-CD1 4.1Å; L148-L177 HydrophobicContact CB-CD1 4.47Å; L148-L177 HydrophobicContact CB-CD2 3.75Å; L148-L177 HydrophobicContact CB-CG 4.48Å; P150-L177 HydrophobicContact CG-CD2 4.33Å; H154-L177 WeakPolarHBondContact NE2-CB 3.4Å; D175-L177 HydrophobicContact CB-CD1 4.49Å; D175-L177 HydrophobicContact CB-CG 4.28Å; D175-L177 PolarHBondContact O-N 2.83Å; D175-L177 VanDerWaalsContact O-N 3.16Å; D175-L177 WeakPolarHBondContact OD1-CB 3.4Å; D175-L177 WeakPolarHBondContact OD1-CG 2.99Å; D175-L177 PolarHBondContact OD1-N 3.33Å; L177-K180 HydrophobicContact CD2-CD 4.04Å; L177-K180 PolarHBondContact O-N 3.38Å; L177-A181 WeakPolarHBondContact O-CB 3.43Å; L177-A181 PolarHBondContact O-N 2.81Å
178E94.5Very high94.5Very high0 Ų029.2 Ų29.20%016%0.156CC..Hα-helixtrans-63.4-50.7176.3-58.178.9179.500111.3H154 M169 T171 T176 K180 A181 G182 I183 V186 Y188H154-E178 IonicContact NE2-OE1 2.81Å; M169-E178 HydrophobicContact CE-CG 3.56Å; M169-E178 HydrophobicContact SD-CB 4.47Å; M169-E178 HydrophobicContact SD-CG 3.76Å; T171-E178 VanDerWaalsContact CB-OE1 3.26Å; T171-E178 WeakPolarHBondContact CB-OE1 3.46Å; T171-E178 HydrophobicContact CG2-CG 4.34Å; T171-E178 WeakPolarHBondContact CG2-OE1 3.38Å; T171-E178 PolarHBondContact OG1-OE1 3.4Å; T176-E178 VanDerWaalsContact C-N 3.28Å; T176-E178 PolarHBondContact O-N 3.14Å; E178-K180 VanDerWaalsContact C-N 3.33Å; E178-K180 PolarHBondContact O-N 3.4Å; E178-A181 WeakPolarHBondContact O-CB 3.4Å; E178-A181 PolarHBondContact O-N 3.25Å; E178-A181 VanDerWaalsContact O-N 3.11Å; E178-G182 PolarHBondContact O-N 3.22Å; E178-I183 HydrophobicContact CB-CB 4.23Å; E178-I183 HydrophobicContact CB-CD1 4.06Å; E178-I183 HydrophobicContact CG-CD1 4.43Å; E178-I183 WeakPolarHBondContact O-CB 3.24Å; E178-I183 PolarHBondContact O-N 2.62Å; E178-V186 HydrophobicContact CB-CB 4.43Å; E178-V186 HydrophobicContact CB-CG2 3.95Å; E178-V186 HydrophobicContact CG-CG2 4.13Å; E178-Y188 WeakPolarHBondContact OE2-CE1 3.23Å; E178-Y188 PolarHBondContact OE2-OH 2.58Å
179E93.3Very high94.2Very high111 Ų11127.8 Ų27.852%0.51915%0.15SC..Hα-helixtrans-61.5-41.5175.2-73.9179.3164.900111.5A181 G182 V186 Y188E179-A181 PolarHBondContact O-N 3.48Å; E179-G182 WeakPolarHBondContact O-CA 3.2Å; E179-G182 PolarHBondContact O-N 3.48Å; E179-V186 HydrophobicContact CG-CG1 4.14Å; E179-Y188 HydrophobicContact CG-CE2 4.08Å; E179-Y188 PolarHBondContact N-OH 3.16Å
180K92.1Very high93.9Very high100 Ų10029.2 Ų29.244%0.43516%0.157SC..Hα-helixtrans-63-28.5175.9-75.2174.1176.3171.60112.9P145 P150 T176 L177 E178P145-K180 PolarHBondContact O-NZ 3.24Å; P150-K180 HydrophobicContact CG-CB 3.82Å; T176-K180 PolarHBondContact O-N 3.03Å; L177-K180 HydrophobicContact CD2-CD 4.04Å; L177-K180 PolarHBondContact O-N 3.38Å; E178-K180 VanDerWaalsContact C-N 3.33Å; E178-K180 PolarHBondContact O-N 3.4Å
181A94.1Very high93.7Very high20 Ų2029.6 Ų29.617%0.16516%0.161CC..THydrogen-bonded Turntrans-77.2-10.9172.900000113.1P150 H154 A158 L177 E178 E179 I183P150-A181 HydrophobicContact CB-CB 3.74Å; P150-A181 HydrophobicContact CG-CB 3.94Å; H154-A181 HydrophobicContact CB-CB 3.7Å; A158-A181 HydrophobicContact CB-CB 4.38Å; A158-A181 WeakPolarHBondContact CB-O 3.21Å; L177-A181 WeakPolarHBondContact O-CB 3.43Å; L177-A181 PolarHBondContact O-N 2.81Å; E178-A181 WeakPolarHBondContact O-CB 3.4Å; E178-A181 PolarHBondContact O-N 3.25Å; E178-A181 VanDerWaalsContact O-N 3.11Å; E179-A181 PolarHBondContact O-N 3.48Å; A181-I183 HydrophobicContact CB-CG1 4.39Å
182G95.9Very high93.6Very high31 Ų3130.2 Ų30.232%0.3217%0.165SC..THydrogen-bonded Turntrans89.222.8-176.800000113.9E178 E179 N184E178-G182 PolarHBondContact O-N 3.22Å; E179-G182 WeakPolarHBondContact O-CA 3.2Å; E179-G182 PolarHBondContact O-N 3.48Å; G182-N184 PolarHBondContact O-ND2 3.22Å; G182-N184 VanDerWaalsContact O-ND2 3.16Å
183I97.9Very high93.5Very high1 Ų129.6 Ų29.61%0.00516%0.162CC..  trans-84.1120.3172.1-53.2174.8000108.7F157 A158 E161 L166 M169 E178 A181 V186F157-I183 HydrophobicContact CB-CD1 3.76Å; A158-I183 HydrophobicContact CB-CG1 3.78Å; E161-I183 WeakPolarHBondContact OE2-CA 3.33Å; L166-I183 HydrophobicContact CD2-CG2 3.79Å; M169-I183 HydrophobicContact CB-CG2 4.48Å; M169-I183 HydrophobicContact SD-CD1 3.61Å; E178-I183 HydrophobicContact CB-CB 4.23Å; E178-I183 HydrophobicContact CB-CD1 4.06Å; E178-I183 HydrophobicContact CG-CD1 4.43Å; E178-I183 WeakPolarHBondContact O-CB 3.24Å; E178-I183 PolarHBondContact O-N 2.62Å; A181-I183 HydrophobicContact CB-CG1 4.39Å; I183-V186 HydrophobicContact CG2-CB 4.35Å
184N97.4Very high93.6Very high129 Ų12931.6 Ų31.669%0.6918%0.181SC*.  trans-100.3-37.7-176.1-55.3-82.5000112E161 G182 V186E161-N184 PolarHBondContact OE1-N 2.96Å; E161-N184 PolarHBondContact OE2-N 3.46Å; E161-N184 PolarHBondContact OE2-ND2 2.72Å; G182-N184 PolarHBondContact O-ND2 3.22Å; G182-N184 VanDerWaalsContact O-ND2 3.16Å; N184-V186 PolarHBondContact O-N 2.82Å
185N97.7Very high93.8Very high61 Ų6132.4 Ų32.433%0.32619%0.185SC..SBendtrans-8155.3178-65.9-48.3000111.2E161 R168 M169E161-N185 WeakPolarHBondContact OE1-CB 3.49Å; E161-N185 PolarHBondContact OE1-N 3.12Å; E161-N185 PolarHBondContact OE1-ND2 2.84Å; R168-N185 CarbonylContact C-O 3.44Å; R168-N185 WeakPolarHBondContact CA-O 3.43Å; R168-N185 VanDerWaalsContact CD-O 3.3Å; R168-N185 WeakPolarHBondContact CD-O 3.46Å; M169-N185 PolarHBondContact N-O 3.16Å
186V97.5Very high94.3Very high19 Ų1931.8 Ų31.812%0.11518%0.182CC..EExtended strand (participates in β ladder)trans-106.7143.817963.20000111.2M169 T171 E178 E179 I183 N184 Y188M169-V186 CarbonylContact O-C 3.23Å; M169-V186 WeakPolarHBondContact O-CA 3.41Å; T171-V186 HydrophobicContact CG2-CG2 3.79Å; E178-V186 HydrophobicContact CB-CB 4.43Å; E178-V186 HydrophobicContact CB-CG2 3.95Å; E178-V186 HydrophobicContact CG-CG2 4.13Å; E179-V186 HydrophobicContact CG-CG1 4.14Å; I183-V186 HydrophobicContact CG2-CB 4.35Å; N184-V186 PolarHBondContact O-N 2.82Å; V186-Y188 HydrophobicContact CG1-CD2 4.35Å; V186-Y188 HydrophobicContact CG1-CE2 3.69Å; V186-Y188 HydrophobicContact CG2-CD2 4.37Å; V186-Y188 HydrophobicContact CG2-CE1 4.45Å; V186-Y188 HydrophobicContact CG2-CE2 4.01Å
187V96.7Very high94.7Very high1 Ų132.6 Ų32.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-121.7116168.3174.70000107.8R168 M169 Y170 T171 C189 F243 Y246R168-V187 HydrophobicContact CG-CG2 4.03Å; M169-V187 PolarHBondContact O-N 3.35Å; Y170-V187 HydrophobicContact CD1-CB 3.83Å; Y170-V187 HydrophobicContact CD1-CG1 3.97Å; Y170-V187 HydrophobicContact CD1-CG2 4.32Å; Y170-V187 HydrophobicContact CE1-CB 4.05Å; Y170-V187 HydrophobicContact CE1-CG1 4.16Å; Y170-V187 HydrophobicContact CE1-CG2 4.04Å; T171-V187 PolarHBondContact N-O 3.11Å; V187-C189 PolarHBondContact O-N 2.92Å; V187-C189 VanDerWaalsContact O-N 3.12Å; V187-F243 HydrophobicContact CG1-CB 4.15Å; V187-F243 HydrophobicContact CG1-CD2 4.33Å; V187-Y246 HydrophobicContact CG2-CD2 3.66Å; V187-Y246 HydrophobicContact CG2-CE2 4.38Å; V187-Y246 HydrophobicContact CG2-CG 4.34Å
188Y96Very high95Very high23 Ų2332.7 Ų32.79%0.0919%0.188CC..EExtended strand (participates in β ladder)trans-79.887.2174.3-72.8-76.9000109.9T171 N173 T176 E178 E179 V186 H190 G191T171-Y188 HydrophobicContact CG2-CD1 3.39Å; T171-Y188 HydrophobicContact CG2-CE1 3.54Å; T171-Y188 HydrophobicContact CG2-CG 4.13Å; N173-Y188 WeakPolarHBondContact O-CD1 3.41Å; T176-Y188 WeakPolarHBondContact CA-OH 3.46Å; T176-Y188 HydrophobicContact CG2-CE1 4.37Å; E178-Y188 WeakPolarHBondContact OE2-CE1 3.23Å; E178-Y188 PolarHBondContact OE2-OH 2.58Å; E179-Y188 HydrophobicContact CG-CE2 4.08Å; E179-Y188 PolarHBondContact N-OH 3.16Å; V186-Y188 HydrophobicContact CG1-CD2 4.35Å; V186-Y188 HydrophobicContact CG1-CE2 3.69Å; V186-Y188 HydrophobicContact CG2-CD2 4.37Å; V186-Y188 HydrophobicContact CG2-CE1 4.45Å; V186-Y188 HydrophobicContact CG2-CE2 4.01Å; Y188-H190 PolarHBondContact O-N 2.73Å; Y188-H190 VanDerWaalsContact O-N 3.16Å; Y188-G191 PolarHBondContact O-N 3.5Å
189C93.8Very high95Very high0 Ų036.8 Ų36.80%020%0.203CC..THydrogen-bonded Turntrans-57.4-34.6-174-59.80000112.6T171 V187 L239 P240 F243 V269T171-C189 WeakPolarHBondContact O-CB 3.45Å; T171-C189 PolarHBondContact O-N 3.15Å; V187-C189 PolarHBondContact O-N 2.92Å; V187-C189 VanDerWaalsContact O-N 3.12Å; C189-L239 HydrophobicContact CB-CD2 4.31Å; C189-L239 WeakPolarHBondContact O-CG 3.37Å; C189-P240 WeakPolarHBondContact O-CD 3.39Å; C189-F243 HydrophobicContact CB-CD2 4.2Å; C189-F243 HydrophobicContact CB-CE2 4.47Å; C189-V269 HydrophobicContact CB-CG2 3.55Å
190H91.9Very high95Very high29 Ų2936.6 Ų36.613%0.13421%0.21CC..THydrogen-bonded Turntrans-104.722177.8-58.4153.6000112.7Q172 V174 Y188 I232 T233Q172-H190 PolarHBondContact O-ND1 3.18Å; Q172-H190 VanDerWaalsContact O-ND1 3.14Å; V174-H190 HydrophobicContact CG1-CB 4.26Å; Y188-H190 PolarHBondContact O-N 2.73Å; Y188-H190 VanDerWaalsContact O-N 3.16Å; H190-I232 CarbonylContact O-C 3.57Å; H190-I232 WeakPolarHBondContact O-CA 3.34Å; H190-I232 WeakPolarHBondContact O-CG2 3.48Å; H190-T233 VanDerWaalsContact C-OG1 3.29Å; H190-T233 WeakPolarHBondContact CA-OG1 3.5Å; H190-T233 PolarHBondContact O-N 3.05Å
191G93.7Very high95.2Very high8 Ų833.8 Ų33.88%0.08220%0.202CC..EExtended strand (participates in β ladder)trans67.6-163.4-177.800000113Y188 D231Y188-G191 PolarHBondContact O-N 3.5Å; G191-D231 CarbonylContact C-O 3.47Å; G191-D231 VanDerWaalsContact CA-O 3.23Å; G191-D231 WeakPolarHBondContact CA-O 3.49Å
192S92.7Very high95.2Very high14 Ų1435.2 Ų35.210%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-158.9176.3-177.675.40000112.3A194 D231S192-A194 PolarHBondContact O-N 3.14Å; S192-A194 WeakPolarHBondContact OG-CB 3.49Å; S192-A194 PolarHBondContact OG-N 3.2Å; S192-A194 VanDerWaalsContact OG-N 3.14Å; S192-D231 PolarHBondContact N-O 2.75Å; S192-D231 CarbonylContact O-C 3.57Å
193F91.4Very high95.3Very high8 Ų837 Ų374%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-79.56.7170.8-74.1-81.7000113.8F136 L143 Y144 V174 T195 G207 I214 P230 I232F136-F193 HydrophobicContact CZ-CE1 4.35Å; F136-F193 HydrophobicContact CZ-CZ 4.45Å; L143-F193 HydrophobicContact CB-CE2 3.9Å; L143-F193 HydrophobicContact CB-CZ 3.89Å; L143-F193 WeakPolarHBondContact O-CE2 3.33Å; Y144-F193 HydrophobicContact CD2-CB 4.38Å; Y144-F193 AromaticContact CD2-CD1 3.7Å; Y144-F193 HydrophobicContact CD2-CD1 3.7Å; Y144-F193 HydrophobicContact CD2-CE1 4.06Å; Y144-F193 HydrophobicContact CD2-CG 4Å; Y144-F193 HydrophobicContact CE2-CB 4.08Å; Y144-F193 AromaticContact CE2-CD1 3.89Å; Y144-F193 HydrophobicContact CE2-CD1 3.89Å; Y144-F193 HydrophobicContact CE2-CG 4.15Å; V174-F193 HydrophobicContact CG2-CD2 4.47Å; V174-F193 HydrophobicContact CG2-CE2 4.14Å; F193-T195 VanDerWaalsContact C-N 3.27Å; F193-T195 PolarHBondContact O-N 2.81Å; F193-G207 WeakPolarHBondContact O-CA 3.2Å; F193-I214 HydrophobicContact CD1-CD1 4.32Å; F193-I214 HydrophobicContact CE1-CD1 4.39Å; F193-P230 HydrophobicContact CD1-CB 3.75Å; F193-P230 HydrophobicContact CD1-CG 4Å; F193-P230 HydrophobicContact CE1-CB 3.96Å; F193-P230 HydrophobicContact CE1-CG 3.83Å; F193-I232 HydrophobicContact CD1-CD1 4.04Å; F193-I232 HydrophobicContact CD2-CD1 3.76Å; F193-I232 HydrophobicContact CE1-CD1 3.69Å; F193-I232 HydrophobicContact CE2-CD1 3.39Å; F193-I232 HydrophobicContact CG-CD1 4.07Å; F193-I232 HydrophobicContact CZ-CD1 3.36Å
194A92.1Very high95.2Very high54 Ų5442.5 Ų42.545%0.44625%0.249SC..EExtended strand (participates in β ladder)trans-61.5-35.8-176.500000112.7S192 G207S192-A194 PolarHBondContact O-N 3.14Å; S192-A194 WeakPolarHBondContact OG-CB 3.49Å; S192-A194 PolarHBondContact OG-N 3.2Å; S192-A194 VanDerWaalsContact OG-N 3.14Å; A194-G207 PolarHBondContact O-N 3.35Å
195T95.1Very high95.2Very high40 Ų4038.1 Ų38.125%0.24523%0.227CC..EExtended strand (participates in β ladder)trans-135.6166.3178.153.80000111.4F193 Q204 V205 D231F193-T195 VanDerWaalsContact C-N 3.27Å; F193-T195 PolarHBondContact O-N 2.81Å; T195-Q204 HydrophobicContact CG2-CG 4.28Å; T195-Q204 PolarHBondContact OG1-NE2 3.21Å; T195-V205 CarbonylContact C-O 3.52Å; T195-V205 VanDerWaalsContact CA-O 3.24Å; T195-V205 WeakPolarHBondContact CA-O 3.26Å; T195-V205 WeakPolarHBondContact CB-O 3.41Å; T195-D231 WeakPolarHBondContact CB-OD2 3.48Å; T195-D231 PolarHBondContact O-N 3.05Å; T195-D231 PolarHBondContact OG1-OD2 3Å
196A96.4Very high95.1Very high0 Ų040.6 Ų40.60%024%0.237CC..EExtended strand (participates in β ladder)trans-141.6136.7173.600000111.1Q204 V205 I210 M228 K229 D231A196-Q204 CarbonylContact O-C 3.55Å; A196-Q204 WeakPolarHBondContact O-CA 3.32Å; A196-V205 HydrophobicContact CB-CG2 4.18Å; A196-V205 PolarHBondContact N-O 3.02Å; A196-V205 PolarHBondContact O-N 3.36Å; A196-I210 HydrophobicContact CB-CD1 3.41Å; A196-I210 VanDerWaalsContact CB-CD1 3.41Å; A196-I210 HydrophobicContact CB-CG1 4.18Å; A196-M228 HydrophobicContact CB-CE 4.47Å; A196-M228 VanDerWaalsContact O-CE 3.28Å; A196-M228 WeakPolarHBondContact O-CE 3.34Å; A196-K229 CarbonylContact C-O 3.52Å; A196-K229 WeakPolarHBondContact CA-O 3.48Å; A196-K229 WeakPolarHBondContact CB-O 3.4Å; A196-D231 PolarHBondContact N-OD2 3.32Å
197T97.1Very high94.9Very high36 Ų3639.8 Ų39.822%0.22123%0.232CC..EExtended strand (participates in β ladder)trans-113.3135.9-176.7-58.70000111.5R199 V203 K229 D231T197-R199 PolarHBondContact O-N 3.18Å; T197-V203 WeakPolarHBondContact CA-O 3.2Å; T197-K229 PolarHBondContact N-O 3.04Å; T197-K229 PolarHBondContact O-N 3.37Å; T197-D231 WeakPolarHBondContact CB-OD1 2.96Å; T197-D231 PolarHBondContact N-OD1 3.36Å; T197-D231 VanDerWaalsContact N-OD1 3.15Å; T197-D231 VanDerWaalsContact OG1-CG 3.3Å; T197-D231 PolarHBondContact OG1-OD1 2.82Å; T197-D231 PolarHBondContact OG1-OD2 2.99Å; T197-D231 VanDerWaalsContact OG1-OD2 3.11Å
198C97.3Very high94.7Very high2 Ų242.9 Ų42.91%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-68.2127.7173.2179.10000110.9T200 G202 V203 C222 M228C198-T200 PolarHBondContact O-N 3.13Å; C198-G202 WeakPolarHBondContact O-CA 3.36Å; C198-G202 PolarHBondContact O-N 2.81Å; C198-V203 HydrophobicContact CB-CG1 3.78Å; C198-V203 PolarHBondContact N-O 3.3Å; C198-C222 HydrophobicContact CB-CB 3.98Å; C198-C222 WeakPolarHBondContact SG-CB 3.44Å; C198-C222 VanDerWaalsContact SG-SG 3.69Å; C198-M228 HydrophobicContact CB-CE 4.3Å; C198-M228 HydrophobicContact CB-SD 3.61Å
199R94.7Very high94.6Very high86 Ų8648.4 Ų48.433%0.32528%0.282SS..THydrogen-bonded Turntrans-61.5-26.2-178.7-68.1-62.9-62.2141.51.6114.6F129 D130 T197 V227 K229F129-R199 HydrophobicContact CE1-CG 4.07Å; D130-R199 IonicContact OD1-CZ 2.78Å; D130-R199 IonicContact OD1-NE 3.89Å; D130-R199 PolarHBondContact OD1-NE 3.31Å; D130-R199 IonicContact OD1-NH2 2.83Å; D130-R199 PolarHBondContact OD1-NH2 3.14Å; D130-R199 IonicContact OD2-CZ 3.18Å; D130-R199 IonicContact OD2-NE 3.87Å; D130-R199 IonicContact OD2-NH2 3.57Å; D130-R199 PolarHBondContact OD2-NH2 2.96Å; T197-R199 PolarHBondContact O-N 3.18Å; R199-V227 PolarHBondContact N-O 2.95Å; R199-K229 HydrophobicContact CG-CB 4.24Å
200T93.5Very high94.7Very high107 Ų10748.8 Ų48.866%0.65628%0.284SS*.THydrogen-bonded Turntrans-102-41.2-176.8-54.70000113.9C198 S226C198-T200 PolarHBondContact O-N 3.13Å; T200-S226 WeakPolarHBondContact CB-OG 3.37Å; T200-S226 PolarHBondContact N-OG 3.3Å; T200-S226 WeakPolarHBondContact OG1-CB 3.37Å; T200-S226 PolarHBondContact OG1-OG 3.13Å
201C95.5Very high94.8Very high41 Ų4150.6 Ų50.628%0.27729%0.292SS..THydrogen-bonded Turntrans-107.2-4.8-175.569.60000115.1V203 C222C201-V203 PolarHBondContact O-N 3.19Å; C201-V203 VanDerWaalsContact O-N 3.16Å; C201-V203 VanDerWaalsContact SG-CG1 3.54Å; C201-C222 VanDerWaalsContact SG-SG 3.68Å
202G95.6Very high94.8Very high49 Ų4960.6 Ų60.651%0.50533%0.328SS..  trans69.76.117900000114.8C198 Q204C198-G202 WeakPolarHBondContact O-CA 3.36Å; C198-G202 PolarHBondContact O-N 2.81Å; G202-Q204 PolarHBondContact O-N 3.05Å
203V96.7Very high95Very high69 Ų6964.2 Ų64.242%0.41834%0.342SS..  trans-64.5124.5175.375.60000109.2T197 C198 C201T197-V203 WeakPolarHBondContact CA-O 3.2Å; C198-V203 HydrophobicContact CB-CG1 3.78Å; C198-V203 PolarHBondContact N-O 3.3Å; C201-V203 PolarHBondContact O-N 3.19Å; C201-V203 VanDerWaalsContact O-N 3.16Å; C201-V203 VanDerWaalsContact SG-CG1 3.54Å
204Q97.4Very high95Very high116 Ų11663.8 Ų63.854%0.54234%0.34SS..EExtended strand (participates in β ladder)trans-95.7142.5176.1-168.91796300110.1T195 A196 G202 D231T195-Q204 HydrophobicContact CG2-CG 4.28Å; T195-Q204 PolarHBondContact OG1-NE2 3.21Å; A196-Q204 CarbonylContact O-C 3.55Å; A196-Q204 WeakPolarHBondContact O-CA 3.32Å; G202-Q204 PolarHBondContact O-N 3.05Å; Q204-D231 PolarHBondContact NE2-OD2 2.9Å
205V96.7Very high95Very high37 Ų3764.1 Ų64.122%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-133.1156.8174.3-55.90000109.8T195 A196 K209 I210 M228T195-V205 CarbonylContact C-O 3.52Å; T195-V205 VanDerWaalsContact CA-O 3.24Å; T195-V205 WeakPolarHBondContact CA-O 3.26Å; T195-V205 WeakPolarHBondContact CB-O 3.41Å; A196-V205 HydrophobicContact CB-CG2 4.18Å; A196-V205 PolarHBondContact N-O 3.02Å; A196-V205 PolarHBondContact O-N 3.36Å; V205-K209 HydrophobicContact CB-CD 4.18Å; V205-K209 HydrophobicContact CG2-CB 4.42Å; V205-I210 HydrophobicContact CG2-CG2 4.23Å; V205-M228 HydrophobicContact CB-CE 4.33Å; V205-M228 HydrophobicContact CG1-CE 3.97Å; V205-M228 HydrophobicContact CG2-CE 3.55Å
206E95.8Very high95Very high114 Ų11464.7 Ų64.753%0.53334%0.343SS..EExtended strand (participates in β ladder)trans-59.8139.5168.4-66.1160.5-175.500110.8A208 K209E206-A208 PolarHBondContact O-N 3.07Å; E206-K209 HydrophobicContact CB-CG 4.41Å; E206-K209 WeakPolarHBondContact O-CB 3.04Å; E206-K209 PolarHBondContact O-N 3.26Å; E206-K209 WeakPolarHBondContact OE2-CE 3.08Å; E206-K209 IonicContact OE2-NZ 2.68Å
207G92.7Very high94.8Very high2 Ų268.8 Ų68.82%0.02136%0.362CS..THydrogen-bonded Turntrans-58.3-32.8179.900000113.3F193 A194 K209 I210 E211F193-G207 WeakPolarHBondContact O-CA 3.2Å; A194-G207 PolarHBondContact O-N 3.35Å; G207-K209 PolarHBondContact O-N 3.4Å; G207-K209 VanDerWaalsContact O-N 3.13Å; G207-I210 VanDerWaalsContact O-CG1 3.23Å; G207-I210 WeakPolarHBondContact O-CG1 3.46Å; G207-I210 PolarHBondContact O-N 2.81Å; G207-E211 PolarHBondContact O-N 3.07Å; G207-E211 VanDerWaalsContact O-N 3.07Å
208A92.4Very high94.8Very high65 Ų6573.8 Ų73.854%0.53738%0.38SS..Hα-helixtrans-55.3-29.4173.800000112.9E206 I210 E211E206-A208 PolarHBondContact O-N 3.07Å; A208-I210 VanDerWaalsContact C-N 3.28Å; A208-I210 PolarHBondContact O-N 3.25Å; A208-E211 WeakPolarHBondContact O-CB 3.39Å; A208-E211 PolarHBondContact O-N 2.83Å
209K94.9Very high94.7Very high139 Ų13975 Ų7560%0.60439%0.388SS*.Hα-helixtrans-72.3-20.5178.9-65.2179.8-177.2167.60113.2V205 E206 G207V205-K209 HydrophobicContact CB-CD 4.18Å; V205-K209 HydrophobicContact CG2-CB 4.42Å; E206-K209 HydrophobicContact CB-CG 4.41Å; E206-K209 WeakPolarHBondContact O-CB 3.04Å; E206-K209 PolarHBondContact O-N 3.26Å; E206-K209 WeakPolarHBondContact OE2-CE 3.08Å; E206-K209 IonicContact OE2-NZ 2.68Å; G207-K209 PolarHBondContact O-N 3.4Å; G207-K209 VanDerWaalsContact O-N 3.13Å
210I94.6Very high94.8Very high9 Ų971 Ų715%0.04637%0.373CS..Hα-helixtrans-108.2-8.6177.365.5162.5000113.4A196 V205 G207 A208 R212 K213 I214 P220 M228 P230A196-I210 HydrophobicContact CB-CD1 3.41Å; A196-I210 VanDerWaalsContact CB-CD1 3.41Å; A196-I210 HydrophobicContact CB-CG1 4.18Å; V205-I210 HydrophobicContact CG2-CG2 4.23Å; G207-I210 VanDerWaalsContact O-CG1 3.23Å; G207-I210 WeakPolarHBondContact O-CG1 3.46Å; G207-I210 PolarHBondContact O-N 2.81Å; A208-I210 VanDerWaalsContact C-N 3.28Å; A208-I210 PolarHBondContact O-N 3.25Å; I210-R212 PolarHBondContact O-N 3.2Å; I210-K213 WeakPolarHBondContact O-CB 3.39Å; I210-K213 PolarHBondContact O-N 2.99Å; I210-I214 HydrophobicContact CD1-CD1 3.72Å; I210-I214 HydrophobicContact CD1-CG1 4.44Å; I210-I214 HydrophobicContact CG1-CD1 3.84Å; I210-I214 PolarHBondContact O-N 3.29Å; I210-P220 HydrophobicContact CB-CB 3.88Å; I210-P220 HydrophobicContact CB-CG 4.16Å; I210-P220 HydrophobicContact CD1-CG 4.22Å; I210-P220 HydrophobicContact CG2-CB 3.73Å; I210-P220 HydrophobicContact CG2-CG 4.29Å; I210-M228 HydrophobicContact CG2-CB 4.34Å; I210-M228 HydrophobicContact CG2-CG 4.41Å; I210-P230 HydrophobicContact CD1-CG 4.28Å
211E93.6Very high94.9Very high66 Ų6670.6 Ų70.631%0.30836%0.363SS..Hα-helixtrans-46.6-55.3-179.6178.8173-179.300112.7Y144 G207 A208 K213 I214 L215Y144-E211 HydrophobicContact CD1-CG 4.28Å; Y144-E211 HydrophobicContact CE1-CB 4.12Å; Y144-E211 HydrophobicContact CE1-CG 3.47Å; Y144-E211 VanDerWaalsContact CE1-CG 3.47Å; Y144-E211 WeakPolarHBondContact OH-CB 3.3Å; G207-E211 PolarHBondContact O-N 3.07Å; G207-E211 VanDerWaalsContact O-N 3.07Å; A208-E211 WeakPolarHBondContact O-CB 3.39Å; A208-E211 PolarHBondContact O-N 2.83Å; E211-K213 PolarHBondContact O-N 3.45Å; E211-K213 VanDerWaalsContact O-N 3.1Å; E211-I214 WeakPolarHBondContact O-CA 3.35Å; E211-I214 WeakPolarHBondContact O-CB 3.38Å; E211-I214 PolarHBondContact O-N 2.66Å; E211-L215 HydrophobicContact CG-CD1 3.8Å; E211-L215 HydrophobicContact CG-CG 4.09Å; E211-L215 WeakPolarHBondContact O-CG 3.27Å; E211-L215 PolarHBondContact O-N 3.07Å
212R94.8Very high94.9Very high219 Ų21969.5 Ų69.583%0.82636%0.356SS*.Hα-helixtrans-56.7-34.3-177.7-174.9178.7176.8-172.51112.4I210 A216I210-R212 PolarHBondContact O-N 3.2Å; R212-A216 VanDerWaalsContact O-CB 3.23Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å; R212-A216 PolarHBondContact O-N 3.35Å; R212-A216 VanDerWaalsContact O-N 3.17Å
213K95.8Very high94.6Very high89 Ų8977.2 Ų77.239%0.38738%0.375SS..Hα-helixtrans-75.1-41.1177.5-65.7-173.3-177.2176.70111I210 E211 A216 Q217 K218 P220I210-K213 WeakPolarHBondContact O-CB 3.39Å; I210-K213 PolarHBondContact O-N 2.99Å; E211-K213 PolarHBondContact O-N 3.45Å; E211-K213 VanDerWaalsContact O-N 3.1Å; K213-A216 CarbonylContact O-C 3.56Å; K213-A216 PolarHBondContact O-N 2.91Å; K213-Q217 PolarHBondContact O-N 2.95Å; K213-Q217 VanDerWaalsContact O-N 3.1Å; K213-K218 CarbonylContact C-O 3.58Å; K213-K218 HydrophobicContact CB-CB 4.46Å; K213-K218 PolarHBondContact O-N 3.18Å; K213-P220 HydrophobicContact CB-CB 4.21Å; K213-P220 HydrophobicContact CD-CB 3.77Å
214I93.4Very high94.1Very high0 Ų082.7 Ų82.70%039%0.389CS..Hα-helixtrans-57.3-51.7172.8-67.5168.6000110.9Y137 A140 Y144 F193 I210 E211 A216 Q217Y137-I214 HydrophobicContact CD1-CG1 3.99Å; Y137-I214 HydrophobicContact CE1-CD1 4.39Å; Y137-I214 HydrophobicContact CE1-CG1 3.69Å; A140-I214 HydrophobicContact CB-CG2 3.94Å; Y144-I214 HydrophobicContact CD2-CB 4.37Å; Y144-I214 HydrophobicContact CD2-CD1 3.68Å; Y144-I214 HydrophobicContact CD2-CG2 3.83Å; Y144-I214 HydrophobicContact CE2-CD1 3.55Å; Y144-I214 HydrophobicContact CG-CG2 4.12Å; F193-I214 HydrophobicContact CD1-CD1 4.32Å; F193-I214 HydrophobicContact CE1-CD1 4.39Å; I210-I214 HydrophobicContact CD1-CD1 3.72Å; I210-I214 HydrophobicContact CD1-CG1 4.44Å; I210-I214 HydrophobicContact CG1-CD1 3.84Å; I210-I214 PolarHBondContact O-N 3.29Å; E211-I214 WeakPolarHBondContact O-CA 3.35Å; E211-I214 WeakPolarHBondContact O-CB 3.38Å; E211-I214 PolarHBondContact O-N 2.66Å; I214-A216 PolarHBondContact O-N 3.27Å; I214-Q217 WeakPolarHBondContact O-CA 3.48Å; I214-Q217 PolarHBondContact O-N 3.02Å
215L91.7Very high93.4Very high60 Ų6084.8 Ų84.831%0.31440%0.403SS..Hα-helixtrans-65-27.4-178.8-62.9-177.6000112.9K141 Y144 E211 Q217K141-L215 WeakPolarHBondContact CD-O 3.35Å; K141-L215 HydrophobicContact CG-CD2 4.15Å; Y144-L215 HydrophobicContact CD1-CD2 4.25Å; E211-L215 HydrophobicContact CG-CD1 3.8Å; E211-L215 HydrophobicContact CG-CG 4.09Å; E211-L215 WeakPolarHBondContact O-CG 3.27Å; E211-L215 PolarHBondContact O-N 3.07Å; L215-Q217 VanDerWaalsContact C-N 3.3Å
216A94.5Very high93.3Very high53 Ų5383.8 Ų83.844%0.43840%0.397SS..THydrogen-bonded Turntrans-86.44.1172.300000113.6R212 K213 I214 K218R212-A216 VanDerWaalsContact O-CB 3.23Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å; R212-A216 PolarHBondContact O-N 3.35Å; R212-A216 VanDerWaalsContact O-N 3.17Å; K213-A216 CarbonylContact O-C 3.56Å; K213-A216 PolarHBondContact O-N 2.91Å; I214-A216 PolarHBondContact O-N 3.27Å; A216-K218 HydrophobicContact CB-CD 4.48Å; A216-K218 HydrophobicContact CB-CG 4.32Å; A216-K218 PolarHBondContact O-N 3.06Å
217Q93.3Very high93.3Very high86 Ų8679.4 Ų79.440%0.40238%0.378SS..THydrogen-bonded Turntrans54.236.8-177-61172.7-59.300113.1K138 K141 K213 I214 L215K138-Q217 PolarHBondContact O-NE2 3.21Å; K141-Q217 HydrophobicContact CB-CG 4.31Å; K141-Q217 HydrophobicContact CD-CG 4.39Å; K213-Q217 PolarHBondContact O-N 2.95Å; K213-Q217 VanDerWaalsContact O-N 3.1Å; I214-Q217 WeakPolarHBondContact O-CA 3.48Å; I214-Q217 PolarHBondContact O-N 3.02Å; L215-Q217 VanDerWaalsContact C-N 3.3Å
218K95.8Very high93.5Very high140 Ų14079.7 Ų79.761%0.60938%0.379SS*.  trans-110.6142178.2-68.7-174.2-179.8-176.40110.5K213 A216 P220K213-K218 CarbonylContact C-O 3.58Å; K213-K218 HydrophobicContact CB-CB 4.46Å; K213-K218 PolarHBondContact O-N 3.18Å; A216-K218 HydrophobicContact CB-CD 4.48Å; A216-K218 HydrophobicContact CB-CG 4.32Å; A216-K218 PolarHBondContact O-N 3.06Å; K218-P220 VanDerWaalsContact O-CD 3.28Å; K218-P220 WeakPolarHBondContact O-CD 3.42Å
219V96.1Very high93.7Very high29 Ų2977 Ų7718%0.17636%0.355CS..  trans-68.2118.9176.3-175.90000110P133 E134 Y137 H221 V227P133-V219 HydrophobicContact CB-CG1 4.31Å; P133-V219 HydrophobicContact CG-CG1 4.43Å; E134-V219 HydrophobicContact CB-CG2 4.07Å; Y137-V219 HydrophobicContact CD2-CB 4.23Å; Y137-V219 HydrophobicContact CD2-CG1 4.07Å; Y137-V219 HydrophobicContact CD2-CG2 3.99Å; Y137-V219 HydrophobicContact CE2-CG1 4.18Å; Y137-V219 HydrophobicContact CG-CG2 4.47Å; V219-H221 PolarHBondContact O-CE1 3.13Å; V219-H221 PolarHBondContact O-N 3.37Å; V219-H221 PolarHBondContact O-ND1 3.18Å; V219-V227 HydrophobicContact CG1-CB 4.3Å; V219-V227 HydrophobicContact CG1-CG1 3.68Å; V219-V227 HydrophobicContact CG1-CG2 3.75Å
220P96.4Very high93.7Very high1 Ų170.4 Ų70.41%0.00633%0.327CS..  trans-73.6122.7171.630.1-30.1000110.4Y137 I210 K213 K218 M228Y137-P220 HydrophobicContact CD1-CG 4.45Å; Y137-P220 HydrophobicContact CE1-CG 3.6Å; Y137-P220 VanDerWaalsContact CE2-CD 3.41Å; Y137-P220 HydrophobicContact CE2-CG 4.01Å; Y137-P220 WeakPolarHBondContact OH-CD 3.46Å; Y137-P220 WeakPolarHBondContact OH-CG 3.03Å; I210-P220 HydrophobicContact CB-CB 3.88Å; I210-P220 HydrophobicContact CB-CG 4.16Å; I210-P220 HydrophobicContact CD1-CG 4.22Å; I210-P220 HydrophobicContact CG2-CB 3.73Å; I210-P220 HydrophobicContact CG2-CG 4.29Å; K213-P220 HydrophobicContact CB-CB 4.21Å; K213-P220 HydrophobicContact CD-CB 3.77Å; K218-P220 VanDerWaalsContact O-CD 3.28Å; K218-P220 WeakPolarHBondContact O-CD 3.42Å; P220-M228 HydrophobicContact CB-CB 4.14Å; P220-M228 HydrophobicContact CB-CG 4.38Å; P220-M228 HydrophobicContact CG-CB 4.06Å; P220-M228 PolarHBondContact O-N 3.5Å
221H95.9Very high93.8Very high98 Ų9871.6 Ų71.645%0.45433%0.334SS..BIsolated β-bridgetrans-106.1142.8176.6-62.889.8000111.4V219 S226V219-H221 PolarHBondContact O-CE1 3.13Å; V219-H221 PolarHBondContact O-N 3.37Å; V219-H221 PolarHBondContact O-ND1 3.18Å; H221-S226 CarbonylContact C-O 3.46Å; H221-S226 VanDerWaalsContact CA-O 3.3Å; H221-S226 WeakPolarHBondContact CA-O 3.49Å
222C94.8Very high93.8Very high18 Ų1868.9 Ų68.912%0.12232%0.321CS..  trans-70.9162165.5-176.70000110.7C198 C201 R224 L225 S226 M228C198-C222 HydrophobicContact CB-CB 3.98Å; C198-C222 WeakPolarHBondContact SG-CB 3.44Å; C198-C222 VanDerWaalsContact SG-SG 3.69Å; C201-C222 VanDerWaalsContact SG-SG 3.68Å; C222-R224 PolarHBondContact O-N 2.86Å; C222-R224 VanDerWaalsContact O-N 3.11Å; C222-L225 PolarHBondContact O-N 3Å; C222-S226 WeakPolarHBondContact CB-O 3.29Å; C222-S226 PolarHBondContact N-O 2.99Å; C222-M228 HydrophobicContact CB-SD 3.64Å
223K89.8Confident93.7Very high211 Ų21159.7 Ų59.792%0.91729%0.289SS*.THydrogen-bonded Turntrans-57.1-23.8173-65.6-177179.2-179.90113.4L225K223-L225 VanDerWaalsContact C-N 3.27Å; K223-L225 PolarHBondContact O-N 3.06Å
224R85.8Confident93.5Very high184 Ų18455.6 Ų55.669%0.69427%0.272SS*.THydrogen-bonded Turntrans-8820.6176.1-62.8-167.2-177.3178.90113.9C222 S226C222-R224 PolarHBondContact O-N 2.86Å; C222-R224 VanDerWaalsContact O-N 3.11Å; R224-S226 PolarHBondContact O-N 3.38Å; R224-S226 VanDerWaalsContact O-N 3.09Å
225L83.6Confident93.2Very high160 Ų16059.8 Ų59.884%0.83829%0.29SS*.SBendtrans5920.2178.9-56.5174.6000115C222 K223C222-L225 PolarHBondContact O-N 3Å; K223-L225 VanDerWaalsContact C-N 3.27Å; K223-L225 PolarHBondContact O-N 3.06Å
226S92.8Very high92.8Very high16 Ų1660.8 Ų60.811%0.11231%0.314CS..PPolyproline II helixtrans-103.2160.1173.6176.40000110.8T200 H221 C222 R224T200-S226 WeakPolarHBondContact CB-OG 3.37Å; T200-S226 PolarHBondContact N-OG 3.3Å; T200-S226 WeakPolarHBondContact OG1-CB 3.37Å; T200-S226 PolarHBondContact OG1-OG 3.13Å; H221-S226 CarbonylContact C-O 3.46Å; H221-S226 VanDerWaalsContact CA-O 3.3Å; H221-S226 WeakPolarHBondContact CA-O 3.49Å; C222-S226 WeakPolarHBondContact CB-O 3.29Å; C222-S226 PolarHBondContact N-O 2.99Å; R224-S226 PolarHBondContact O-N 3.38Å; R224-S226 VanDerWaalsContact O-N 3.09Å
227V96.1Very high92.4Very high22 Ų2260.9 Ų60.913%0.13331%0.306CS..BIsolated β-bridgetrans-76.8138.9-177.6179.60000110.6F129 P133 Y137 R199 V219F129-V227 HydrophobicContact CE1-CG1 3.95Å; F129-V227 HydrophobicContact CZ-CG1 3.63Å; P133-V227 HydrophobicContact CB-CG1 4.03Å; P133-V227 HydrophobicContact CB-CG2 4.19Å; P133-V227 HydrophobicContact CG-CG2 3.97Å; Y137-V227 HydrophobicContact CE2-CG1 4.05Å; R199-V227 PolarHBondContact N-O 2.95Å; V219-V227 HydrophobicContact CG1-CB 4.3Å; V219-V227 HydrophobicContact CG1-CG1 3.68Å; V219-V227 HydrophobicContact CG1-CG2 3.75Å
228M97.1Very high91.9Very high8 Ų861.9 Ų61.94%0.03932%0.322CS..EExtended strand (participates in β ladder)trans-82.2127.7163.7-57.8-60-63.600107.4Y137 A196 C198 V205 I210 P220 C222Y137-M228 PolarHBondContact OH-O 3.21Å; A196-M228 HydrophobicContact CB-CE 4.47Å; A196-M228 VanDerWaalsContact O-CE 3.28Å; A196-M228 WeakPolarHBondContact O-CE 3.34Å; C198-M228 HydrophobicContact CB-CE 4.3Å; C198-M228 HydrophobicContact CB-SD 3.61Å; V205-M228 HydrophobicContact CB-CE 4.33Å; V205-M228 HydrophobicContact CG1-CE 3.97Å; V205-M228 HydrophobicContact CG2-CE 3.55Å; I210-M228 HydrophobicContact CG2-CB 4.34Å; I210-M228 HydrophobicContact CG2-CG 4.41Å; P220-M228 HydrophobicContact CB-CB 4.14Å; P220-M228 HydrophobicContact CB-CG 4.38Å; P220-M228 HydrophobicContact CG-CB 4.06Å; P220-M228 PolarHBondContact O-N 3.5Å; C222-M228 HydrophobicContact CB-SD 3.64Å
229K96.5Very high91.6Very high8 Ų856.1 Ų56.14%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-103.8134.5171-168.1-177.371.467.90108L126 F129 A196 T197 R199 I232 F234 E237L126-K229 HydrophobicContact CD1-CD 4.1Å; F129-K229 HydrophobicContact CD1-CD 4.04Å; F129-K229 HydrophobicContact CD1-CG 4.23Å; F129-K229 HydrophobicContact CE1-CB 3.74Å; F129-K229 HydrophobicContact CE1-CD 3.98Å; F129-K229 HydrophobicContact CE1-CG 3.69Å; F129-K229 HydrophobicContact CE2-CG 4.29Å; F129-K229 HydrophobicContact CZ-CB 3.86Å; F129-K229 HydrophobicContact CZ-CD 4.42Å; F129-K229 HydrophobicContact CZ-CG 3.71Å; A196-K229 CarbonylContact C-O 3.52Å; A196-K229 WeakPolarHBondContact CA-O 3.48Å; A196-K229 WeakPolarHBondContact CB-O 3.4Å; T197-K229 PolarHBondContact N-O 3.04Å; T197-K229 PolarHBondContact O-N 3.37Å; R199-K229 HydrophobicContact CG-CB 4.24Å; K229-I232 PolarHBondContact NZ-O 2.78Å; K229-F234 HydrophobicContact CD-CD2 4.31Å; K229-F234 HydrophobicContact CD-CE2 4.33Å; K229-F234 HydrophobicContact CD-CG 4.42Å; K229-F234 HydrophobicContact CD-CZ 4.44Å; K229-E237 VanDerWaalsContact CE-OE1 3.26Å; K229-E237 WeakPolarHBondContact CE-OE1 3.29Å; K229-E237 WeakPolarHBondContact CE-OE2 3.23Å; K229-E237 IonicContact NZ-OE1 3.02Å; K229-E237 IonicContact NZ-OE2 3.57Å; K229-E237 PolarHBondContact NZ-OE2 3.25Å
230P95.7Very high91.3Very high1 Ų156.6 Ų56.61%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-58.7147.1167.3-18.734.7000109.2F136 Y137 F193 I210 I232F136-P230 HydrophobicContact CE1-CG 3.79Å; F136-P230 HydrophobicContact CZ-CG 3.99Å; Y137-P230 WeakPolarHBondContact OH-CD 3.42Å; F193-P230 HydrophobicContact CD1-CB 3.75Å; F193-P230 HydrophobicContact CD1-CG 4Å; F193-P230 HydrophobicContact CE1-CB 3.96Å; F193-P230 HydrophobicContact CE1-CG 3.83Å; I210-P230 HydrophobicContact CD1-CG 4.28Å; P230-I232 HydrophobicContact CB-CD1 4.15Å; P230-I232 HydrophobicContact CB-CG1 4.28Å; P230-I232 PolarHBondContact O-N 2.96Å
231D95.5Very high90.9Very high35 Ų3560.5 Ų60.519%0.18733%0.334CS..EExtended strand (participates in β ladder)trans-80.150.2-178.2-64-26.9000111.2G191 S192 T195 A196 T197 Q204G191-D231 CarbonylContact C-O 3.47Å; G191-D231 VanDerWaalsContact CA-O 3.23Å; G191-D231 WeakPolarHBondContact CA-O 3.49Å; S192-D231 PolarHBondContact N-O 2.75Å; S192-D231 CarbonylContact O-C 3.57Å; T195-D231 WeakPolarHBondContact CB-OD2 3.48Å; T195-D231 PolarHBondContact O-N 3.05Å; T195-D231 PolarHBondContact OG1-OD2 3Å; A196-D231 PolarHBondContact N-OD2 3.32Å; T197-D231 WeakPolarHBondContact CB-OD1 2.96Å; T197-D231 PolarHBondContact N-OD1 3.36Å; T197-D231 VanDerWaalsContact N-OD1 3.15Å; T197-D231 VanDerWaalsContact OG1-CG 3.3Å; T197-D231 PolarHBondContact OG1-OD1 2.82Å; T197-D231 PolarHBondContact OG1-OD2 2.99Å; T197-D231 VanDerWaalsContact OG1-OD2 3.11Å; Q204-D231 PolarHBondContact NE2-OD2 2.9Å
232I93.6Very high90.7Very high9 Ų961.6 Ų61.65%0.04634%0.339CS..EExtended strand (participates in β ladder)trans-92.7132.8166.7-63.5168.4000107.4V174 H190 F193 K229 P230 F234V174-I232 HydrophobicContact CB-CD1 4.32Å; V174-I232 HydrophobicContact CB-CG1 4.26Å; V174-I232 HydrophobicContact CG1-CG1 4.19Å; V174-I232 HydrophobicContact CG1-CG2 3.93Å; V174-I232 HydrophobicContact CG2-CD1 4.32Å; H190-I232 CarbonylContact O-C 3.57Å; H190-I232 WeakPolarHBondContact O-CA 3.34Å; H190-I232 WeakPolarHBondContact O-CG2 3.48Å; F193-I232 HydrophobicContact CD1-CD1 4.04Å; F193-I232 HydrophobicContact CD2-CD1 3.76Å; F193-I232 HydrophobicContact CE1-CD1 3.69Å; F193-I232 HydrophobicContact CE2-CD1 3.39Å; F193-I232 HydrophobicContact CG-CD1 4.07Å; F193-I232 HydrophobicContact CZ-CD1 3.36Å; K229-I232 PolarHBondContact NZ-O 2.78Å; P230-I232 HydrophobicContact CB-CD1 4.15Å; P230-I232 HydrophobicContact CB-CG1 4.28Å; P230-I232 PolarHBondContact O-N 2.96Å; I232-F234 HydrophobicContact CB-CD1 4.49Å; I232-F234 HydrophobicContact CB-CE1 4.26Å; I232-F234 HydrophobicContact CG2-CD1 4.25Å; I232-F234 HydrophobicContact CG2-CE1 4.18Å; I232-F234 WeakPolarHBondContact O-CD1 3.13Å; I232-F234 PolarHBondContact O-N 3.11Å
233T92.5Very high90.5Very high26 Ų2661 Ų6116%0.1634%0.335CS..  trans-68.3113.8177.8-50.90000109.8H190 E237 L239H190-T233 VanDerWaalsContact C-OG1 3.29Å; H190-T233 WeakPolarHBondContact CA-OG1 3.5Å; H190-T233 PolarHBondContact O-N 3.05Å; T233-E237 HydrophobicContact CG2-CB 4.08Å; T233-L239 HydrophobicContact CG2-CD1 4.41Å
234F92.1Very high90.4Very high3 Ų356 Ų561%0.01331%0.313CS..  trans-86158.9174.6-84.829.5000110.6F124 L126 F129 F136 K229 I232 G236 E237F124-F234 VanDerWaalsContact C-CD2 3.5Å; F124-F234 HydrophobicContact CD1-CE1 4.07Å; F124-F234 HydrophobicContact CD1-CZ 4.29Å; F124-F234 CarbonylContact O-C 3.35Å; F124-F234 VanDerWaalsContact O-CA 3.26Å; F124-F234 WeakPolarHBondContact O-CA 3.42Å; F124-F234 WeakPolarHBondContact O-CB 3.28Å; F124-F234 WeakPolarHBondContact O-CD2 3.34Å; F124-F234 WeakPolarHBondContact O-CG 3.32Å; L126-F234 HydrophobicContact CB-CB 4.29Å; L126-F234 HydrophobicContact CD1-CB 4.46Å; F129-F234 HydrophobicContact CB-CD2 3.97Å; F129-F234 HydrophobicContact CB-CE2 3.65Å; F129-F234 AromaticContact CD2-CE2 3.63Å; F129-F234 HydrophobicContact CD2-CE2 3.63Å; F129-F234 HydrophobicContact CD2-CZ 4.14Å; F129-F234 HydrophobicContact CE2-CE2 4.47Å; F129-F234 HydrophobicContact CG-CD2 4.34Å; F129-F234 AromaticContact CG-CE2 3.72Å; F129-F234 HydrophobicContact CG-CE2 3.72Å; F136-F234 HydrophobicContact CD2-CE1 4.42Å; F136-F234 HydrophobicContact CD2-CE2 4.35Å; F136-F234 AromaticContact CD2-CZ 3.57Å; F136-F234 HydrophobicContact CD2-CZ 3.57Å; F136-F234 HydrophobicContact CE2-CE1 4.02Å; F136-F234 AromaticContact CE2-CZ 3.58Å; F136-F234 HydrophobicContact CE2-CZ 3.58Å; F136-F234 HydrophobicContact CG-CZ 4.1Å; F136-F234 HydrophobicContact CZ-CE1 4.47Å; F136-F234 HydrophobicContact CZ-CZ 4.11Å; K229-F234 HydrophobicContact CD-CD2 4.31Å; K229-F234 HydrophobicContact CD-CE2 4.33Å; K229-F234 HydrophobicContact CD-CG 4.42Å; K229-F234 HydrophobicContact CD-CZ 4.44Å; I232-F234 HydrophobicContact CB-CD1 4.49Å; I232-F234 HydrophobicContact CB-CE1 4.26Å; I232-F234 HydrophobicContact CG2-CD1 4.25Å; I232-F234 HydrophobicContact CG2-CE1 4.18Å; I232-F234 WeakPolarHBondContact O-CD1 3.13Å; I232-F234 PolarHBondContact O-N 3.11Å; F234-G236 PolarHBondContact O-N 2.9Å; F234-E237 HydrophobicContact CB-CG 4.33Å; F234-E237 PolarHBondContact N-OE2 2.82Å; F234-E237 WeakPolarHBondContact O-CB 3.43Å; F234-E237 PolarHBondContact O-N 2.87Å
235F86.9Confident90.4Very high87 Ų8753 Ų5338%0.38231%0.307SS..BIsolated β-bridgetrans-59.3130.6168.6-67.3-73.7000109.3E121 F124 N125 L126E121-F235 HydrophobicContact CB-CE2 3.85Å; E121-F235 HydrophobicContact CG-CE2 4.27Å; F124-F235 HydrophobicContact CB-CD2 3.99Å; F124-F235 HydrophobicContact CB-CE2 4.2Å; F124-F235 PolarHBondContact O-N 3.44Å; N125-F235 WeakPolarHBondContact OD1-CB 3.11Å; L126-F235 PolarHBondContact N-O 3.09Å
236G83Confident90.8Very high81 Ų8149.1 Ų49.184%0.83528%0.282SS*.THydrogen-bonded Turntrans95.3-12.5-170.900000114.3F234F234-G236 PolarHBondContact O-N 2.9Å
237E87.3Confident90.6Very high55 Ų5549.6 Ų49.626%0.25728%0.283SS..SBendtrans-91.8153173.1-65.2-173.5131.700112L126 K229 T233 F234L126-E237 HydrophobicContact CB-CG 4.34Å; L126-E237 HydrophobicContact CD1-CG 4.03Å; L126-E237 WeakPolarHBondContact CD1-OE1 3.26Å; L126-E237 HydrophobicContact CD2-CG 3.67Å; L126-E237 HydrophobicContact CG-CG 4.23Å; K229-E237 VanDerWaalsContact CE-OE1 3.26Å; K229-E237 WeakPolarHBondContact CE-OE1 3.29Å; K229-E237 WeakPolarHBondContact CE-OE2 3.23Å; K229-E237 IonicContact NZ-OE1 3.02Å; K229-E237 IonicContact NZ-OE2 3.57Å; K229-E237 PolarHBondContact NZ-OE2 3.25Å; T233-E237 HydrophobicContact CG2-CB 4.08Å; F234-E237 HydrophobicContact CB-CG 4.33Å; F234-E237 PolarHBondContact N-OE2 2.82Å; F234-E237 WeakPolarHBondContact O-CB 3.43Å; F234-E237 PolarHBondContact O-N 2.87Å
238S83.6Confident90Very high107 Ų10751.8 Ų51.875%0.74830%0.299SS*.PPolyproline II helixtrans-74.7147.8167.3-65.10000110.2
239L89.1Confident89.6Confident20 Ų2054.3 Ų54.311%0.10532%0.315CS..PPolyproline II helixtrans-62.5159171.9-83.168.7000110.8C189 T233 F243 F244 P268 V269C189-L239 HydrophobicContact CB-CD2 4.31Å; C189-L239 WeakPolarHBondContact O-CG 3.37Å; T233-L239 HydrophobicContact CG2-CD1 4.41Å; L239-F243 HydrophobicContact CB-CB 4.46Å; L239-F243 HydrophobicContact CB-CD1 4.43Å; L239-F243 HydrophobicContact CB-CG 4.49Å; L239-F243 HydrophobicContact CD2-CD1 4.02Å; L239-F243 HydrophobicContact CD2-CD2 4.12Å; L239-F243 HydrophobicContact CD2-CE1 4.15Å; L239-F243 HydrophobicContact CD2-CE2 4.22Å; L239-F243 HydrophobicContact CD2-CG 4.02Å; L239-F243 HydrophobicContact CD2-CZ 4.25Å; L239-F244 HydrophobicContact CB-CE2 3.88Å; L239-F244 HydrophobicContact CB-CZ 4.15Å; L239-P268 HydrophobicContact CD1-CG 3.89Å; L239-P268 HydrophobicContact CD2-CG 3.56Å; L239-P268 HydrophobicContact CG-CG 4.27Å; L239-V269 HydrophobicContact CD2-CG2 3.98Å
240P89.6Confident89.5Confident39 Ų3953.9 Ų53.925%0.25331%0.313SS..PPolyproline II helixtrans-55.4143.9178.7-25.435.7000112.2C189 E242 F243C189-P240 WeakPolarHBondContact O-CD 3.39Å; P240-E242 PolarHBondContact O-N 2.96Å; P240-E242 VanDerWaalsContact O-N 3.15Å; P240-F243 VanDerWaalsContact O-CB 3.25Å; P240-F243 WeakPolarHBondContact O-CB 3.37Å; P240-F243 PolarHBondContact O-N 3.37Å
241A88.4Confident89.3Confident82 Ų8254.8 Ų54.868%0.67832%0.317SS*.Hα-helixtrans-57-33.1-179.700000112.8F243 F244 H245A241-F243 PolarHBondContact O-N 3Å; A241-F244 PolarHBondContact O-N 3.19Å; A241-F244 VanDerWaalsContact O-N 3.16Å; A241-H245 PolarHBondContact O-N 2.8Å
242E91Very high89.1Confident121 Ų12161.1 Ų61.157%0.56535%0.346SS*.Hα-helixtrans-56.2-37.5175.7-66.4175.6179.500112.5P240 F244 H245 Y246P240-E242 PolarHBondContact O-N 2.96Å; P240-E242 VanDerWaalsContact O-N 3.15Å; E242-F244 PolarHBondContact O-N 3.32Å; E242-H245 PolarHBondContact O-N 3.01Å; E242-Y246 HydrophobicContact CB-CD2 4.33Å; E242-Y246 HydrophobicContact CB-CE2 4.28Å; E242-Y246 WeakPolarHBondContact O-CD2 3.35Å; E242-Y246 PolarHBondContact O-N 2.92Å
243F91Very high89.2Confident7 Ų766.7 Ų66.73%0.03137%0.366CS..Hα-helixtrans-57-52.7175.4174.6-92000111.1Y170 V187 C189 L239 P240 A241 H245 Y246 I247 P268 V269 I272Y170-F243 AromaticContact CD1-CD2 3.92Å; Y170-F243 HydrophobicContact CD1-CD2 3.92Å; Y170-F243 HydrophobicContact CD1-CE2 4Å; Y170-F243 HydrophobicContact CE1-CD2 4.2Å; Y170-F243 HydrophobicContact CE1-CE2 4.41Å; V187-F243 HydrophobicContact CG1-CB 4.15Å; V187-F243 HydrophobicContact CG1-CD2 4.33Å; C189-F243 HydrophobicContact CB-CD2 4.2Å; C189-F243 HydrophobicContact CB-CE2 4.47Å; L239-F243 HydrophobicContact CB-CB 4.46Å; L239-F243 HydrophobicContact CB-CD1 4.43Å; L239-F243 HydrophobicContact CB-CG 4.49Å; L239-F243 HydrophobicContact CD2-CD1 4.02Å; L239-F243 HydrophobicContact CD2-CD2 4.12Å; L239-F243 HydrophobicContact CD2-CE1 4.15Å; L239-F243 HydrophobicContact CD2-CE2 4.22Å; L239-F243 HydrophobicContact CD2-CG 4.02Å; L239-F243 HydrophobicContact CD2-CZ 4.25Å; P240-F243 VanDerWaalsContact O-CB 3.25Å; P240-F243 WeakPolarHBondContact O-CB 3.37Å; P240-F243 PolarHBondContact O-N 3.37Å; A241-F243 PolarHBondContact O-N 3Å; F243-H245 VanDerWaalsContact C-N 3.32Å; F243-H245 PolarHBondContact O-N 2.73Å; F243-Y246 PolarHBondContact O-N 2.8Å; F243-I247 HydrophobicContact CE1-CG2 4.32Å; F243-I247 HydrophobicContact CZ-CG1 4.46Å; F243-I247 VanDerWaalsContact O-CB 3.24Å; F243-I247 WeakPolarHBondContact O-CB 3.28Å; F243-I247 VanDerWaalsContact O-CG2 3.27Å; F243-I247 WeakPolarHBondContact O-CG2 3.05Å; F243-I247 PolarHBondContact O-N 3.42Å; F243-P268 HydrophobicContact CE1-CG 4Å; F243-P268 HydrophobicContact CZ-CG 4.3Å; F243-V269 HydrophobicContact CE2-CG2 4.24Å; F243-I272 HydrophobicContact CE2-CD1 3.93Å; F243-I272 HydrophobicContact CZ-CD1 4.15Å; F243-I272 HydrophobicContact CZ-CG1 4.36Å
244F86.3Confident89.4Confident105 Ų10565.9 Ų65.946%0.46136%0.361SS..Hα-helixtrans-68.6-33.1-178.2-61.9-75000112.3L239 A241 E242L239-F244 HydrophobicContact CB-CE2 3.88Å; L239-F244 HydrophobicContact CB-CZ 4.15Å; A241-F244 PolarHBondContact O-N 3.19Å; A241-F244 VanDerWaalsContact O-N 3.16Å; E242-F244 PolarHBondContact O-N 3.32Å
245H86.6Confident89.7Confident122 Ų12267.4 Ų67.457%0.56537%0.369SS*.Hα-helixtrans-62.2-52.9175.1-178.469.8000111.5A241 E242 F243 S248A241-H245 PolarHBondContact O-N 2.8Å; E242-H245 PolarHBondContact O-N 3.01Å; F243-H245 VanDerWaalsContact C-N 3.32Å; F243-H245 PolarHBondContact O-N 2.73Å; H245-S248 PolarHBondContact O-OG 3.22Å
246Y91.3Very high90.3Very high77 Ų7763.3 Ų63.330%0.30235%0.351SS..Hα-helixtrans-77.9-36.6-174.7-69-58.6000113.6Y170 V187 E242 F243 S248 V249 D250Y170-Y246 WeakPolarHBondContact OH-CB 3.26Å; Y170-Y246 PolarHBondContact OH-O 2.95Å; V187-Y246 HydrophobicContact CG2-CD2 3.66Å; V187-Y246 HydrophobicContact CG2-CE2 4.38Å; V187-Y246 HydrophobicContact CG2-CG 4.34Å; E242-Y246 HydrophobicContact CB-CD2 4.33Å; E242-Y246 HydrophobicContact CB-CE2 4.28Å; E242-Y246 WeakPolarHBondContact O-CD2 3.35Å; E242-Y246 PolarHBondContact O-N 2.92Å; F243-Y246 PolarHBondContact O-N 2.8Å; Y246-S248 VanDerWaalsContact C-N 3.29Å; Y246-S248 PolarHBondContact O-N 3.32Å; Y246-V249 PolarHBondContact O-N 2.99Å; Y246-D250 WeakPolarHBondContact O-CB 3.49Å; Y246-D250 VanDerWaalsContact O-CG 3.31Å; Y246-D250 PolarHBondContact O-N 3.07Å
247I89Confident91Very high26 Ų2659.4 Ų59.413%0.13331%0.311CS..Hα-helixtrans-62-39.3-171.9-161.367.9000111.9Y170 F243 V249 D250 M251 I272Y170-I247 HydrophobicContact CD1-CD1 4.24Å; Y170-I247 HydrophobicContact CD2-CD1 4.39Å; Y170-I247 HydrophobicContact CE1-CB 4.29Å; Y170-I247 HydrophobicContact CE1-CD1 3.69Å; Y170-I247 HydrophobicContact CE2-CD1 3.89Å; Y170-I247 VanDerWaalsContact OH-CA 3.3Å; Y170-I247 WeakPolarHBondContact OH-CA 3.36Å; Y170-I247 PolarHBondContact OH-N 3.2Å; F243-I247 HydrophobicContact CE1-CG2 4.32Å; F243-I247 HydrophobicContact CZ-CG1 4.46Å; F243-I247 VanDerWaalsContact O-CB 3.24Å; F243-I247 WeakPolarHBondContact O-CB 3.28Å; F243-I247 VanDerWaalsContact O-CG2 3.27Å; F243-I247 WeakPolarHBondContact O-CG2 3.05Å; F243-I247 PolarHBondContact O-N 3.42Å; I247-V249 PolarHBondContact O-N 3.1Å; I247-D250 PolarHBondContact O-N 2.84Å; I247-M251 HydrophobicContact CD1-CE 3.53Å; I247-M251 HydrophobicContact CG1-CE 4.22Å; I247-M251 HydrophobicContact CG1-CG 4.3Å; I247-M251 WeakPolarHBondContact O-CB 3.23Å; I247-M251 WeakPolarHBondContact O-CG 3.42Å; I247-M251 PolarHBondContact O-N 2.99Å; I247-I272 HydrophobicContact CD1-CD1 3.8Å; I247-I272 HydrophobicContact CD1-CG1 3.89Å; I247-I272 HydrophobicContact CD1-CG2 4.41Å; I247-I272 HydrophobicContact CG1-CG1 4.49Å
248S83Confident91.5Very high69 Ų6956.9 Ų56.948%0.48330%0.299SS..Hα-helixtrans-61.6-46.1178.559.60000112.1H245 Y246H245-S248 PolarHBondContact O-OG 3.22Å; Y246-S248 VanDerWaalsContact C-N 3.29Å; Y246-S248 PolarHBondContact O-N 3.32Å
249V89.7Confident92.2Very high60 Ų6051.8 Ų51.836%0.36426%0.264SS..Hα-helixtrans-70.4-42.4179.4175.60000111.7Y246 I247 E252 R253Y246-V249 PolarHBondContact O-N 2.99Å; I247-V249 PolarHBondContact O-N 3.1Å; V249-E252 PolarHBondContact O-N 3.3Å; V249-R253 WeakPolarHBondContact O-CG 3.41Å
250D95.2Very high92.6Very high0 Ų050.8 Ų50.80%026%0.259CS..Hα-helixtrans-70.4-34.7-175.4-70.2-14.2000111.2V82 L167 R168 Y170 Y246 I247 E252 R253 L254V82-D250 HydrophobicContact CG2-CB 4.39Å; L167-D250 HydrophobicContact CD2-CB 4.08Å; R168-D250 VanDerWaalsContact CB-OD2 3.27Å; R168-D250 WeakPolarHBondContact CB-OD2 3.43Å; R168-D250 WeakPolarHBondContact CG-OD2 2.97Å; R168-D250 IonicContact CZ-OD2 3.63Å; R168-D250 IonicContact NE-OD2 3.84Å; R168-D250 PolarHBondContact NE-OD2 3.01Å; R168-D250 IonicContact NH2-OD1 3.91Å; R168-D250 IonicContact NH2-OD2 3.36Å; Y170-D250 PolarHBondContact OH-OD2 3.43Å; Y246-D250 WeakPolarHBondContact O-CB 3.49Å; Y246-D250 VanDerWaalsContact O-CG 3.31Å; Y246-D250 PolarHBondContact O-N 3.07Å; I247-D250 PolarHBondContact O-N 2.84Å; D250-E252 PolarHBondContact O-N 2.99Å; D250-R253 PolarHBondContact O-N 3.02Å; D250-L254 WeakPolarHBondContact O-CD2 3.46Å; D250-L254 PolarHBondContact O-N 3.11Å
251M91.3Very high92.9Very high19 Ų1949.1 Ų49.19%0.09425%0.248CC..Hα-helixtrans-60.6-26.3175.6-75-58.1125.400113.9I247 L254 I272 V276 P277I247-M251 HydrophobicContact CD1-CE 3.53Å; I247-M251 HydrophobicContact CG1-CE 4.22Å; I247-M251 HydrophobicContact CG1-CG 4.3Å; I247-M251 WeakPolarHBondContact O-CB 3.23Å; I247-M251 WeakPolarHBondContact O-CG 3.42Å; I247-M251 PolarHBondContact O-N 2.99Å; M251-L254 WeakPolarHBondContact O-CD2 3.3Å; M251-L254 HydrophobicContact SD-CD2 4.42Å; M251-I272 HydrophobicContact CE-CG2 3.67Å; M251-V276 HydrophobicContact CE-CG2 4.1Å; M251-V276 HydrophobicContact SD-CB 4.36Å; M251-V276 HydrophobicContact SD-CG2 3.62Å; M251-P277 VanDerWaalsContact O-CD 3.29Å; M251-P277 WeakPolarHBondContact O-CD 3.49Å; M251-P277 VanDerWaalsContact O-CG 3.26Å; M251-P277 WeakPolarHBondContact O-CG 3.28Å
252E90.2Very high93.1Very high169 Ų16945.7 Ų45.779%0.7922%0.219SC*.Hα-helixtrans-83.9-18.4175.8-65-176.2174.100112.9V249 D250V249-E252 PolarHBondContact O-N 3.3Å; D250-E252 PolarHBondContact O-N 2.99Å
253R96Very high93.1Very high126 Ų12641.7 Ų41.748%0.47520%0.204SC..Hα-helixtrans-109.8-30.5-168-66.2176.269.8-168.60.7113.3R80 L167 V249 D250R80-R253 VanDerWaalsContact CD-O 3.32Å; R80-R253 WeakPolarHBondContact CD-O 3.45Å; R80-R253 PolarHBondContact NE-O 3.01Å; L167-R253 HydrophobicContact CD2-CB 4.02Å; V249-R253 WeakPolarHBondContact O-CG 3.41Å; D250-R253 PolarHBondContact O-N 3.02Å
254L97.9Very high93.1Very high9 Ų941.7 Ų41.75%0.04720%0.204CC..  trans-59.9147.6-17382.7168.7000112.7R80 V82 L167 D250 M251 L257 V276 V280R80-L254 VanDerWaalsContact O-CA 3.27Å; R80-L254 WeakPolarHBondContact O-CA 3.43Å; V82-L254 HydrophobicContact CB-CB 4.27Å; V82-L254 HydrophobicContact CB-CD1 3.92Å; V82-L254 HydrophobicContact CG2-CB 3.58Å; V82-L254 HydrophobicContact CG2-CD1 3.99Å; V82-L254 HydrophobicContact CG2-CG 4.41Å; L167-L254 HydrophobicContact CD2-CB 4.28Å; D250-L254 WeakPolarHBondContact O-CD2 3.46Å; D250-L254 PolarHBondContact O-N 3.11Å; M251-L254 WeakPolarHBondContact O-CD2 3.3Å; M251-L254 HydrophobicContact SD-CD2 4.42Å; L254-L257 HydrophobicContact CD1-CB 4.22Å; L254-V276 HydrophobicContact CD1-CG1 4.11Å; L254-V276 HydrophobicContact CD1-CG2 3.79Å; L254-V280 HydrophobicContact CD1-CG1 4.25Å; L254-V280 HydrophobicContact CG-CG1 4.08Å
255D97.9Very high93Very high35 Ų3544.2 Ų44.219%0.18722%0.215CC..SBendtrans-119.1-3.9173.759.111.3000113.8S78 K79 R80 P281S78-D255 WeakPolarHBondContact CB-OD1 3.48Å; K79-D255 PolarHBondContact N-OD1 3.47Å; K79-D255 PolarHBondContact N-OD2 3.03Å; R80-D255 WeakPolarHBondContact CA-OD1 3.14Å; R80-D255 IonicContact CZ-OD2 3.91Å; R80-D255 PolarHBondContact N-OD1 3.32Å; R80-D255 PolarHBondContact N-OD2 3.01Å; R80-D255 IonicContact NH1-OD2 3.87Å; R80-D255 IonicContact NH2-OD2 3.35Å; R80-D255 PolarHBondContact NH2-OD2 3.43Å; R80-D255 PolarHBondContact O-N 3.47Å; D255-P281 WeakPolarHBondContact O-CD 3.08Å
256L98.3Very high92.8Very high0 Ų039.6 Ų39.60%020%0.196CC..EExtended strand (participates in β ladder)trans-154.9134.3172.2176.663.1000109.8L74 I75 S78 I81 V82 L258 P281 V283L74-L256 HydrophobicContact CB-CD1 4.24Å; L74-L256 HydrophobicContact CB-CD2 4.14Å; L74-L256 HydrophobicContact CD1-CD1 4.25Å; I75-L256 HydrophobicContact CG1-CD2 4.04Å; S78-L256 WeakPolarHBondContact OG-CB 3.31Å; I81-L256 HydrophobicContact CD1-CD2 4.18Å; I81-L256 HydrophobicContact CG1-CB 4.29Å; I81-L256 HydrophobicContact CG1-CD2 4.12Å; I81-L256 HydrophobicContact CG2-CD2 4.26Å; I81-L256 HydrophobicContact CG2-CG 4.39Å; V82-L256 PolarHBondContact N-O 3.29Å; L256-L258 HydrophobicContact CD1-CD2 4.2Å; L256-L258 HydrophobicContact CD2-CD2 3.94Å; L256-L258 HydrophobicContact CD2-CG 4.25Å; L256-L258 HydrophobicContact CG-CD2 4Å; L256-L258 HydrophobicContact CG-CG 4.25Å; L256-P281 HydrophobicContact CD1-CB 3.98Å; L256-V283 HydrophobicContact CD1-CG2 4.32Å
257L98.4Very high92Very high0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-104.2127.9166.4176.269.8000109.9V82 V84 L254 V259 I272 P273 V276 P281 R282 V283V82-L257 HydrophobicContact CB-CD1 4.36Å; V82-L257 HydrophobicContact CG1-CD1 4.01Å; V82-L257 WeakPolarHBondContact O-CA 3.44Å; V84-L257 HydrophobicContact CG2-CD1 3.93Å; L254-L257 HydrophobicContact CD1-CB 4.22Å; L257-V259 HydrophobicContact CD1-CG2 4.49Å; L257-V259 HydrophobicContact CD2-CG2 4.02Å; L257-V259 HydrophobicContact CG-CG2 4.17Å; L257-I272 HydrophobicContact CD1-CG2 4.34Å; L257-P273 HydrophobicContact CD2-CB 4.02Å; L257-P273 HydrophobicContact CD2-CG 4.21Å; L257-V276 HydrophobicContact CB-CG2 4.28Å; L257-V276 HydrophobicContact CD2-CG2 3.81Å; L257-V276 HydrophobicContact CG-CG2 4.42Å; L257-P281 PolarHBondContact N-O 2.87Å; L257-R282 HydrophobicContact CB-CB 4.41Å; L257-R282 HydrophobicContact CB-CG 4.16Å; L257-R282 HydrophobicContact CD2-CB 4.39Å; L257-R282 HydrophobicContact CD2-CG 4.16Å; L257-R282 WeakPolarHBondContact O-CA 3.47Å; L257-V283 PolarHBondContact O-N 2.96Å
258L98.4Very high91.8Very high1 Ų141.4 Ų41.41%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-112.2124.2167-57.7-179.6000109.3I75 I81 V82 V83 V84 F157 L256 V260 V283I75-L258 HydrophobicContact CD1-CD1 4.19Å; I75-L258 HydrophobicContact CG1-CD1 4.27Å; I81-L258 HydrophobicContact CG2-CD1 3.77Å; I81-L258 HydrophobicContact CG2-CG 3.91Å; V82-L258 PolarHBondContact O-N 3.01Å; V83-L258 CarbonylContact C-O 3.52Å; V83-L258 VanDerWaalsContact CA-O 3.29Å; V83-L258 WeakPolarHBondContact CA-O 3.45Å; V83-L258 HydrophobicContact CG2-CB 4.31Å; V83-L258 HydrophobicContact CG2-CD1 4.4Å; V84-L258 PolarHBondContact N-O 2.9Å; F157-L258 HydrophobicContact CE1-CD1 4Å; F157-L258 HydrophobicContact CZ-CD1 4.49Å; L256-L258 HydrophobicContact CD1-CD2 4.2Å; L256-L258 HydrophobicContact CD2-CD2 3.94Å; L256-L258 HydrophobicContact CD2-CG 4.25Å; L256-L258 HydrophobicContact CG-CD2 4Å; L256-L258 HydrophobicContact CG-CG 4.25Å; L258-V260 HydrophobicContact CB-CG2 4.11Å; L258-V283 HydrophobicContact CD2-CB 3.71Å; L258-V283 HydrophobicContact CD2-CG1 4.32Å; L258-V283 HydrophobicContact CD2-CG2 4.13Å
259V98.1Very high92Very high0 Ų038.1 Ų38.10%019%0.19CC..EExtended strand (participates in β ladder)trans-105.8118.9170.3175.70000107.8V84 L257 T262 L264 P273 V283 L284 I285 F294V84-V259 HydrophobicContact CB-CG2 4.26Å; V84-V259 WeakPolarHBondContact O-CA 3.49Å; L257-V259 HydrophobicContact CD1-CG2 4.49Å; L257-V259 HydrophobicContact CD2-CG2 4.02Å; L257-V259 HydrophobicContact CG-CG2 4.17Å; V259-T262 HydrophobicContact CG1-CG2 3.46Å; V259-T262 VanDerWaalsContact CG1-CG2 3.46Å; V259-L264 HydrophobicContact CG1-CD1 3.78Å; V259-L264 HydrophobicContact CG1-CD2 4.08Å; V259-L264 HydrophobicContact CG1-CG 3.95Å; V259-L264 HydrophobicContact CG2-CD1 4.36Å; V259-P273 HydrophobicContact CG2-CG 4.14Å; V259-V283 PolarHBondContact N-O 3.09Å; V259-L284 HydrophobicContact CB-CD1 4.06Å; V259-L284 HydrophobicContact CG1-CD1 3.75Å; V259-L284 CarbonylContact O-C 3.5Å; V259-L284 WeakPolarHBondContact O-CA 3.36Å; V259-I285 PolarHBondContact O-N 3.49Å; V259-F294 HydrophobicContact CB-CE1 3.83Å; V259-F294 HydrophobicContact CB-CZ 4Å; V259-F294 HydrophobicContact CG1-CZ 4.36Å; V259-F294 HydrophobicContact CG2-CE1 3.48Å; V259-F294 VanDerWaalsContact CG2-CE1 3.48Å; V259-F294 HydrophobicContact CG2-CZ 3.76Å
260V97.4Very high91.9Very high0 Ų035.5 Ų35.50%017%0.174CC..EExtended strand (participates in β ladder)trans-130.6125.7-168.1-169.80000111.5V83 V84 A85 G86 V89 T153 F157 L258 T262 I285 C302V83-V260 HydrophobicContact CG1-CG2 4.32Å; V84-V260 PolarHBondContact O-N 3.37Å; A85-V260 WeakPolarHBondContact CA-O 3.24Å; G86-V260 PolarHBondContact N-O 3.11Å; V89-V260 HydrophobicContact CG2-CB 4.13Å; V89-V260 HydrophobicContact CG2-CG1 3.8Å; T153-V260 HydrophobicContact CG2-CG1 4.16Å; F157-V260 HydrophobicContact CE2-CG1 4.47Å; F157-V260 HydrophobicContact CE2-CG2 4.37Å; F157-V260 HydrophobicContact CZ-CG2 3.93Å; L258-V260 HydrophobicContact CB-CG2 4.11Å; V260-T262 VanDerWaalsContact C-N 3.32Å; V260-T262 PolarHBondContact O-N 3.34Å; V260-I285 CarbonylContact C-O 3.4Å; V260-I285 VanDerWaalsContact CA-O 3.28Å; V260-I285 WeakPolarHBondContact CA-O 3.38Å; V260-I285 HydrophobicContact CG1-CB 4.26Å; V260-I285 HydrophobicContact CG1-CG2 4.47Å; V260-I285 HydrophobicContact CG2-CB 4.29Å; V260-I285 HydrophobicContact CG2-CD1 4.46Å; V260-C302 HydrophobicContact CG1-CB 4.2Å
261G94.7Very high91.5Very high3 Ų339.4 Ų39.43%0.03120%0.195CC..SBendtrans60.836.6171.700000114.1G86 A87 G88 I285 N286 C302G86-G261 CarbonylContact C-O 3.59Å; G86-G261 WeakPolarHBondContact CA-O 2.86Å; A87-G261 PolarHBondContact N-O 3.09Å; G88-G261 WeakPolarHBondContact CA-O 3.3Å; G88-G261 PolarHBondContact N-O 2.76Å; G261-I285 PolarHBondContact N-O 3.27Å; G261-N286 WeakPolarHBondContact CA-OD1 3.39Å; G261-C302 VanDerWaalsContact CA-SG 3.52Å
262T93.2Very high91.4Very high10 Ų1038.7 Ų38.76%0.06119%0.191CC..  trans-143.1143.7179.8-176.40000112.5Q172 V259 V260 L264 N286Q172-T262 PolarHBondContact NE2-OG1 2.83Å; V259-T262 HydrophobicContact CG1-CG2 3.46Å; V259-T262 VanDerWaalsContact CG1-CG2 3.46Å; V260-T262 VanDerWaalsContact C-N 3.32Å; V260-T262 PolarHBondContact O-N 3.34Å; T262-L264 VanDerWaalsContact C-N 3.31Å; T262-L264 HydrophobicContact CG2-CD2 3.7Å; T262-L264 HydrophobicContact CG2-CG 3.97Å; T262-L264 PolarHBondContact OG1-N 3Å; T262-N286 PolarHBondContact N-OD1 3.29Å; T262-N286 PolarHBondContact O-ND2 2.78Å
263S91Very high91.5Very high37 Ų3730.7 Ų30.726%0.25915%0.154SC..  trans-85.5-1.9175.775.70000113.5R101 K265R101-S263 PolarHBondContact NH1-OG 2.84Å; S263-K265 VanDerWaalsContact C-N 3.33Å; S263-K265 PolarHBondContact O-N 2.52Å; S263-K265 WeakPolarHBondContact OG-CD 3.16Å; S263-K265 WeakPolarHBondContact OG-CG 3.39Å
264L90.2Very high91Very high7 Ų727 Ų274%0.03714%0.143CC..  trans45.649.9-178.2-62.9177.4000114.3V84 V259 T262 S270 P273 V290 Q292 F294V84-L264 HydrophobicContact CG1-CD2 4Å; V259-L264 HydrophobicContact CG1-CD1 3.78Å; V259-L264 HydrophobicContact CG1-CD2 4.08Å; V259-L264 HydrophobicContact CG1-CG 3.95Å; V259-L264 HydrophobicContact CG2-CD1 4.36Å; T262-L264 VanDerWaalsContact C-N 3.31Å; T262-L264 HydrophobicContact CG2-CD2 3.7Å; T262-L264 HydrophobicContact CG2-CG 3.97Å; T262-L264 PolarHBondContact OG1-N 3Å; L264-S270 WeakPolarHBondContact O-CB 3.03Å; L264-P273 HydrophobicContact CD1-CG 3.68Å; L264-V290 HydrophobicContact CD1-CG2 4.41Å; L264-Q292 HydrophobicContact CD1-CG 4.37Å; L264-F294 HydrophobicContact CD1-CZ 4.1Å
265K85.5Confident90.5Very high158 Ų15829.8 Ų29.869%0.68716%0.164SC*.  trans-98.9-8.5-179.3-71.4-178.2-178.9-174.80114.4S263S263-K265 VanDerWaalsContact C-N 3.33Å; S263-K265 PolarHBondContact O-N 2.52Å; S263-K265 WeakPolarHBondContact OG-CD 3.16Å; S263-K265 WeakPolarHBondContact OG-CG 3.39Å
266V81.2Confident90.2Very high25 Ų2528.3 Ų28.315%0.15216%0.156CC..SBendtrans-115.1113.1-170.5-174.90000109.7V269 S270V266-V269 PolarHBondContact O-N 3.33Å; V266-S270 PolarHBondContact O-N 2.69Å; V266-S270 VanDerWaalsContact O-N 3.07Å; V266-S270 PolarHBondContact O-OG 2.89Å; V266-S270 VanDerWaalsContact O-OG 3.07Å
267N74.8Confident89.7Confident106 Ų10630.6 Ų30.657%0.56717%0.171SC*.THydrogen-bonded Turntrans-71.2149.9173.1-77.9-23.3000110.7S270 L271N267-S270 WeakPolarHBondContact CA-OG 3.43Å; N267-S270 PolarHBondContact N-OG 3.16Å; N267-S270 PolarHBondContact OD1-OG 2.77Å; N267-L271 WeakPolarHBondContact OD1-CD2 3.36Å; N267-L271 WeakPolarHBondContact OD1-CG 3.46Å
268P84.4Confident89.3Confident35 Ų3534.3 Ų34.323%0.22719%0.19CC..THydrogen-bonded Turncis-88.3-1.2-0.836.8-35.9000113.8L239 F243 S270 L271L239-P268 HydrophobicContact CD1-CG 3.89Å; L239-P268 HydrophobicContact CD2-CG 3.56Å; L239-P268 HydrophobicContact CG-CG 4.27Å; F243-P268 HydrophobicContact CE1-CG 4Å; F243-P268 HydrophobicContact CZ-CG 4.3Å; P268-S270 VanDerWaalsContact C-N 3.25Å; P268-S270 PolarHBondContact O-N 2.85Å; P268-L271 HydrophobicContact CB-CD1 4.3Å; P268-L271 VanDerWaalsContact O-CB 3.31Å; P268-L271 WeakPolarHBondContact O-CB 3.14Å; P268-L271 PolarHBondContact O-N 3.41Å
269V87.8Confident88.9Confident0 Ų040.3 Ų40.30%022%0.222CC..G310 helixtrans-60.3-36.5-178-176.40000111.7V84 Q172 C189 L239 F243 V266 L271 I272V84-V269 HydrophobicContact CG1-CG1 3.77Å; Q172-V269 HydrophobicContact CG-CB 4.23Å; Q172-V269 HydrophobicContact CG-CG1 3.77Å; Q172-V269 HydrophobicContact CG-CG2 4.25Å; C189-V269 HydrophobicContact CB-CG2 3.55Å; L239-V269 HydrophobicContact CD2-CG2 3.98Å; F243-V269 HydrophobicContact CE2-CG2 4.24Å; V266-V269 PolarHBondContact O-N 3.33Å; V269-L271 PolarHBondContact O-N 2.82Å; V269-L271 VanDerWaalsContact O-N 3.16Å; V269-I272 HydrophobicContact CG1-CD1 4.03Å; V269-I272 WeakPolarHBondContact O-CB 3.2Å; V269-I272 WeakPolarHBondContact O-CG1 3.23Å; V269-I272 PolarHBondContact O-N 2.97Å; V269-I272 VanDerWaalsContact O-N 3.11Å
270S87Confident88.7Confident6 Ų640.7 Ų40.74%0.04223%0.225CC..G310 helixtrans-63.2-14.7174.444.70000115.2L264 V266 N267 P268 P273 Q292L264-S270 WeakPolarHBondContact O-CB 3.03Å; V266-S270 PolarHBondContact O-N 2.69Å; V266-S270 VanDerWaalsContact O-N 3.07Å; V266-S270 PolarHBondContact O-OG 2.89Å; V266-S270 VanDerWaalsContact O-OG 3.07Å; N267-S270 WeakPolarHBondContact CA-OG 3.43Å; N267-S270 PolarHBondContact N-OG 3.16Å; N267-S270 PolarHBondContact OD1-OG 2.77Å; P268-S270 VanDerWaalsContact C-N 3.25Å; P268-S270 PolarHBondContact O-N 2.85Å; S270-P273 WeakPolarHBondContact O-CD 3.46Å; S270-Q292 PolarHBondContact O-NE2 2.84Å
271L87Confident88.7Confident82 Ų8241.3 Ų41.343%0.42923%0.229SC..G310 helixtrans-88.4-8.3176.9-53.5176.9000112.7N267 P268 V269 D274 S275N267-L271 WeakPolarHBondContact OD1-CD2 3.36Å; N267-L271 WeakPolarHBondContact OD1-CG 3.46Å; P268-L271 HydrophobicContact CB-CD1 4.3Å; P268-L271 VanDerWaalsContact O-CB 3.31Å; P268-L271 WeakPolarHBondContact O-CB 3.14Å; P268-L271 PolarHBondContact O-N 3.41Å; V269-L271 PolarHBondContact O-N 2.82Å; V269-L271 VanDerWaalsContact O-N 3.16Å; L271-D274 PolarHBondContact O-N 3.04Å; L271-S275 PolarHBondContact O-N 3.15Å; L271-S275 VanDerWaalsContact O-N 3.13Å; L271-S275 PolarHBondContact O-OG 2.9Å
272I90.8Very high88.7Confident4 Ų441.2 Ų41.22%0.02123%0.228CC..Hα-helixtrans-57.1-50.7179.7-69.4177.7000111.4V84 Y170 F243 I247 M251 L257 V269 D274 S275 V276V84-I272 HydrophobicContact CG2-CB 4.15Å; V84-I272 HydrophobicContact CG2-CD1 3.92Å; V84-I272 HydrophobicContact CG2-CG2 3.64Å; Y170-I272 HydrophobicContact CD1-CD1 4.44Å; Y170-I272 HydrophobicContact CG-CD1 4.21Å; F243-I272 HydrophobicContact CE2-CD1 3.93Å; F243-I272 HydrophobicContact CZ-CD1 4.15Å; F243-I272 HydrophobicContact CZ-CG1 4.36Å; I247-I272 HydrophobicContact CD1-CD1 3.8Å; I247-I272 HydrophobicContact CD1-CG1 3.89Å; I247-I272 HydrophobicContact CD1-CG2 4.41Å; I247-I272 HydrophobicContact CG1-CG1 4.49Å; M251-I272 HydrophobicContact CE-CG2 3.67Å; L257-I272 HydrophobicContact CD1-CG2 4.34Å; V269-I272 HydrophobicContact CG1-CD1 4.03Å; V269-I272 WeakPolarHBondContact O-CB 3.2Å; V269-I272 WeakPolarHBondContact O-CG1 3.23Å; V269-I272 PolarHBondContact O-N 2.97Å; V269-I272 VanDerWaalsContact O-N 3.11Å; I272-D274 PolarHBondContact O-N 3.11Å; I272-S275 WeakPolarHBondContact O-CB 3.18Å; I272-S275 PolarHBondContact O-N 3.32Å; I272-V276 PolarHBondContact O-N 3.13Å
273P92Very high88.9Confident0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-53.1-46.1179.3-26.435.5000111.7L257 V259 L264 S270 S275 V276 R282 Q292 F294L257-P273 HydrophobicContact CD2-CB 4.02Å; L257-P273 HydrophobicContact CD2-CG 4.21Å; V259-P273 HydrophobicContact CG2-CG 4.14Å; L264-P273 HydrophobicContact CD1-CG 3.68Å; S270-P273 WeakPolarHBondContact O-CD 3.46Å; P273-S275 PolarHBondContact O-N 3.06Å; P273-V276 WeakPolarHBondContact O-CB 3.5Å; P273-V276 PolarHBondContact O-N 3.17Å; P273-V276 VanDerWaalsContact O-N 3.15Å; P273-R282 PolarHBondContact O-NE 2.94Å; P273-R282 PolarHBondContact O-NH1 3.31Å; P273-R282 PolarHBondContact O-NH2 3.5Å; P273-R282 VanDerWaalsContact O-NH2 3.12Å; P273-Q292 HydrophobicContact CB-CB 4.49Å; P273-Q292 HydrophobicContact CB-CG 4.47Å; P273-F294 HydrophobicContact CB-CZ 4.45Å; P273-F294 HydrophobicContact CG-CZ 4.35Å
274D85.5Confident89.2Confident48 Ų4839 Ų3926%0.25721%0.213SC..Hα-helixtrans-71.5-18-176.3-53.2-41.5000113.6P56 L271 I272P56-D274 HydrophobicContact CB-CB 4.16Å; P56-D274 WeakPolarHBondContact CB-O 3.43Å; P56-D274 HydrophobicContact CG-CB 3.35Å; L271-D274 PolarHBondContact O-N 3.04Å; I272-D274 PolarHBondContact O-N 3.11Å
275S86.8Confident89.6Confident69 Ų6938.9 Ų38.948%0.48321%0.212SC..Hα-helixtrans-82.6-15.6175.5-55.40000113.5L271 I272 P273L271-S275 PolarHBondContact O-N 3.15Å; L271-S275 VanDerWaalsContact O-N 3.13Å; L271-S275 PolarHBondContact O-OG 2.9Å; I272-S275 WeakPolarHBondContact O-CB 3.18Å; I272-S275 PolarHBondContact O-N 3.32Å; P273-S275 PolarHBondContact O-N 3.06Å
276V90.8Very high90Very high4 Ų432 Ų322%0.02418%0.182CC..SBendtrans-67.6138.9-179.3168.50000110.9M251 L254 L257 I272 P273 L278 V280 R282M251-V276 HydrophobicContact CE-CG2 4.1Å; M251-V276 HydrophobicContact SD-CB 4.36Å; M251-V276 HydrophobicContact SD-CG2 3.62Å; L254-V276 HydrophobicContact CD1-CG1 4.11Å; L254-V276 HydrophobicContact CD1-CG2 3.79Å; L257-V276 HydrophobicContact CB-CG2 4.28Å; L257-V276 HydrophobicContact CD2-CG2 3.81Å; L257-V276 HydrophobicContact CG-CG2 4.42Å; I272-V276 PolarHBondContact O-N 3.13Å; P273-V276 WeakPolarHBondContact O-CB 3.5Å; P273-V276 PolarHBondContact O-N 3.17Å; P273-V276 VanDerWaalsContact O-N 3.15Å; V276-L278 PolarHBondContact O-N 3.27Å; V276-V280 HydrophobicContact CG1-CB 3.54Å; V276-V280 HydrophobicContact CG1-CG1 3.61Å; V276-V280 HydrophobicContact CG1-CG2 4.32Å; V276-R282 HydrophobicContact CG1-CG 4.34Å; V276-R282 PolarHBondContact O-NH2 3.27Å
277P89.4Confident90.6Very high47 Ų4733.2 Ų33.231%0.30519%0.192SC..  trans-52.3140.2174.1-27.135.2000112.7M251 N279 V280M251-P277 VanDerWaalsContact O-CD 3.29Å; M251-P277 WeakPolarHBondContact O-CD 3.49Å; M251-P277 VanDerWaalsContact O-CG 3.26Å; M251-P277 WeakPolarHBondContact O-CG 3.28Å; P277-N279 WeakPolarHBondContact CB-OD1 3.46Å; P277-N279 PolarHBondContact O-N 2.99Å; P277-N279 VanDerWaalsContact O-N 3.13Å; P277-V280 HydrophobicContact CB-CG2 4.03Å; P277-V280 HydrophobicContact CG-CG2 4.34Å; P277-V280 WeakPolarHBondContact O-CB 3.48Å; P277-V280 PolarHBondContact O-N 3.42Å
278L88.7Confident91.4Very high79 Ų7933.6 Ų33.641%0.41419%0.194SC..THydrogen-bonded Turntrans-61.5-28.3-171.5-66-179.7000113.6L3 L62 V276 V280L3-L278 HydrophobicContact CD1-CD1 3.38Å; L3-L278 HydrophobicContact CD1-CG 4.49Å; L62-L278 VanDerWaalsContact CD2-O 3.29Å; L62-L278 WeakPolarHBondContact CD2-O 3.25Å; V276-L278 PolarHBondContact O-N 3.27Å; L278-V280 VanDerWaalsContact C-N 3.29Å; L278-V280 PolarHBondContact O-N 2.84Å
279N89.8Confident91.8Very high126 Ų12639 Ų3967%0.67421%0.213SC*.THydrogen-bonded Turntrans-81.5-1.217967.2-50000114.2L62 P277L62-N279 WeakPolarHBondContact CD1-O 3.12Å; P277-N279 WeakPolarHBondContact CB-OD1 3.46Å; P277-N279 PolarHBondContact O-N 2.99Å; P277-N279 VanDerWaalsContact O-N 3.13Å
280V95.2Very high92.1Very high8 Ų840.4 Ų40.45%0.04822%0.222CC..SBendtrans-91.7128.3177.8170.90000109.7R59 L254 V276 P277 L278R59-V280 PolarHBondContact NH2-O 3.1Å; R59-V280 VanDerWaalsContact NH2-O 3.16Å; L254-V280 HydrophobicContact CD1-CG1 4.25Å; L254-V280 HydrophobicContact CG-CG1 4.08Å; V276-V280 HydrophobicContact CG1-CB 3.54Å; V276-V280 HydrophobicContact CG1-CG1 3.61Å; V276-V280 HydrophobicContact CG1-CG2 4.32Å; P277-V280 HydrophobicContact CB-CG2 4.03Å; P277-V280 HydrophobicContact CG-CG2 4.34Å; P277-V280 WeakPolarHBondContact O-CB 3.48Å; P277-V280 PolarHBondContact O-N 3.42Å; L278-V280 VanDerWaalsContact C-N 3.29Å; L278-V280 PolarHBondContact O-N 2.84Å
281P96.1Very high92.2Very high13 Ų1349 Ų498%0.08426%0.261CS..  trans-62.8143.1173.5-21.933000112.7L62 F63 L74 D255 L256 L257 D295L62-P281 HydrophobicContact CD1-CG 4.26Å; F63-P281 HydrophobicContact CE1-CB 4.28Å; F63-P281 HydrophobicContact CE1-CG 4.32Å; F63-P281 HydrophobicContact CZ-CB 4.25Å; L74-P281 HydrophobicContact CD1-CB 4.33Å; L74-P281 HydrophobicContact CD2-CB 4.18Å; L74-P281 HydrophobicContact CD2-CG 4.21Å; D255-P281 WeakPolarHBondContact O-CD 3.08Å; L256-P281 HydrophobicContact CD1-CB 3.98Å; L257-P281 PolarHBondContact N-O 2.87Å; P281-D295 WeakPolarHBondContact CA-OD2 2.97Å
282R96.4Very high92.3Very high2 Ų246.7 Ų46.71%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-130.2127.7179.6-51179.2-167.7176-3.4109.2L257 P273 V276 F294 D295L257-R282 HydrophobicContact CB-CB 4.41Å; L257-R282 HydrophobicContact CB-CG 4.16Å; L257-R282 HydrophobicContact CD2-CB 4.39Å; L257-R282 HydrophobicContact CD2-CG 4.16Å; L257-R282 WeakPolarHBondContact O-CA 3.47Å; P273-R282 PolarHBondContact O-NE 2.94Å; P273-R282 PolarHBondContact O-NH1 3.31Å; P273-R282 PolarHBondContact O-NH2 3.5Å; P273-R282 VanDerWaalsContact O-NH2 3.12Å; V276-R282 HydrophobicContact CG1-CG 4.34Å; V276-R282 PolarHBondContact O-NH2 3.27Å; R282-F294 HydrophobicContact CB-CD1 3.76Å; R282-F294 HydrophobicContact CB-CE1 4.33Å; R282-D295 PolarHBondContact N-OD2 3.35Å; R282-D295 PolarHBondContact O-N 3.46Å
283V97.4Very high92.3Very high0 Ų049.3 Ų49.30%027%0.265CS..EExtended strand (participates in β ladder)trans-121.3137.3179178.70000109.5V71 L74 L256 L257 L258 V259 I285 I296V71-V283 HydrophobicContact CG1-CG1 4.11Å; V71-V283 HydrophobicContact CG2-CG1 3.71Å; V71-V283 HydrophobicContact CG2-CG2 4.26Å; L74-V283 HydrophobicContact CD1-CG2 3.7Å; L256-V283 HydrophobicContact CD1-CG2 4.32Å; L257-V283 PolarHBondContact O-N 2.96Å; L258-V283 HydrophobicContact CD2-CB 3.71Å; L258-V283 HydrophobicContact CD2-CG1 4.32Å; L258-V283 HydrophobicContact CD2-CG2 4.13Å; V259-V283 PolarHBondContact N-O 3.09Å; V283-I285 HydrophobicContact CG1-CG1 4.11Å; V283-I296 WeakPolarHBondContact CA-O 3.19Å; V283-I296 HydrophobicContact CG1-CB 4.28Å; V283-I296 HydrophobicContact CG2-CB 4.28Å; V283-I296 HydrophobicContact CG2-CD1 4.47Å
284L97.3Very high92.4Very high1 Ų149.9 Ų49.91%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-102.7131.8168.9178.869.7000109.5V259 N286 V290 F294 I296 I298 I299V259-L284 HydrophobicContact CB-CD1 4.06Å; V259-L284 HydrophobicContact CG1-CD1 3.75Å; V259-L284 CarbonylContact O-C 3.5Å; V259-L284 WeakPolarHBondContact O-CA 3.36Å; L284-N286 HydrophobicContact CD1-CB 3.89Å; L284-N286 HydrophobicContact CG-CB 4.09Å; L284-V290 HydrophobicContact CD1-CG1 4.35Å; L284-V290 HydrophobicContact CD1-CG2 4.16Å; L284-V290 HydrophobicContact CD2-CG1 4.49Å; L284-V290 HydrophobicContact CD2-CG2 3.91Å; L284-F294 HydrophobicContact CB-CB 4.28Å; L284-F294 HydrophobicContact CB-CD1 3.98Å; L284-F294 HydrophobicContact CB-CD2 3.81Å; L284-F294 HydrophobicContact CB-CE1 4.3Å; L284-F294 HydrophobicContact CB-CE2 4.16Å; L284-F294 HydrophobicContact CB-CG 3.73Å; L284-F294 HydrophobicContact CB-CZ 4.4Å; L284-F294 HydrophobicContact CD1-CE2 4.3Å; L284-F294 HydrophobicContact CD1-CZ 4.32Å; L284-F294 HydrophobicContact CD2-CD2 4.31Å; L284-F294 HydrophobicContact CD2-CE2 4.44Å; L284-I296 PolarHBondContact N-O 3.16Å; L284-I298 PolarHBondContact O-N 3.29Å; L284-I299 HydrophobicContact CD2-CD1 4.17Å
285I96.9Very high92.9Very high3 Ų347.9 Ų47.92%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-126.3101.4168.1-54.2177.5000107.3V259 V260 G261 V283 I298 A305 L309V259-I285 PolarHBondContact O-N 3.49Å; V260-I285 CarbonylContact C-O 3.4Å; V260-I285 VanDerWaalsContact CA-O 3.28Å; V260-I285 WeakPolarHBondContact CA-O 3.38Å; V260-I285 HydrophobicContact CG1-CB 4.26Å; V260-I285 HydrophobicContact CG1-CG2 4.47Å; V260-I285 HydrophobicContact CG2-CB 4.29Å; V260-I285 HydrophobicContact CG2-CD1 4.46Å; G261-I285 PolarHBondContact N-O 3.27Å; V283-I285 HydrophobicContact CG1-CG1 4.11Å; I285-I298 WeakPolarHBondContact CA-O 3.43Å; I285-I298 HydrophobicContact CG1-CB 4.14Å; I285-I298 HydrophobicContact CG1-CG1 4.32Å; I285-I298 HydrophobicContact CG2-CB 4.48Å; I285-I298 HydrophobicContact CG2-CG2 4.41Å; I285-A305 HydrophobicContact CG2-CB 3.54Å; I285-L309 HydrophobicContact CD1-CD1 4.03Å
286N95.4Very high93.3Very high13 Ų1344.8 Ų44.87%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-155.2158.8-173.9-166.342.4000111.7G261 T262 L284 D288 I298 I299 C300G261-N286 WeakPolarHBondContact CA-OD1 3.39Å; T262-N286 PolarHBondContact N-OD1 3.29Å; T262-N286 PolarHBondContact O-ND2 2.78Å; L284-N286 HydrophobicContact CD1-CB 3.89Å; L284-N286 HydrophobicContact CG-CB 4.09Å; N286-D288 PolarHBondContact ND2-O 2.95Å; N286-D288 PolarHBondContact O-N 3.28Å; N286-I298 PolarHBondContact N-O 3.12Å; N286-I299 CarbonylContact O-C 3.56Å; N286-I299 WeakPolarHBondContact O-CA 3.43Å; N286-C300 CarbonylContact C-O 3.48Å; N286-C300 VanDerWaalsContact C-O 3.23Å; N286-C300 PolarHBondContact O-N 3.04Å; N286-C300 VanDerWaalsContact O-N 3.07Å
287C92.4Very high93.5Very high52 Ų5247.5 Ų47.535%0.35125%0.249SC..SBendtrans-68.2-25.3177-64.30000113.1I299 C300 H301C287-I299 VanDerWaalsContact O-CG2 3.26Å; C287-I299 WeakPolarHBondContact O-CG2 3.12Å; C287-C300 PolarHBondContact N-O 3.16Å; C287-H301 PolarHBondContact SG-ND1 2.84Å; C287-H301 VanDerWaalsContact SG-ND1 3.37Å
288D91.9Very high93.9Very high114 Ų11446 Ų4661%0.6124%0.238SC*.SBendtrans-131.8155.6-178.1-59.7-70.4000110.9N286N286-D288 PolarHBondContact ND2-O 2.95Å; N286-D288 PolarHBondContact O-N 3.28Å
289K93.9Very high94.2Very high147 Ų14745.9 Ų45.964%0.63924%0.237SC*.  trans-65.7156.1169.2-69.3-161171.2-125.20111.6D297 I299K289-D297 IonicContact NZ-OD2 2.77Å; K289-D297 PolarHBondContact NZ-OD2 3.11Å; K289-I299 HydrophobicContact CG-CD1 3.88Å; K289-I299 HydrophobicContact CG-CG1 4.22Å
290V93.4Very high94.4Very high31 Ų3141.8 Ų41.819%0.18822%0.218CC..  trans-121.3171.5173.2-55.40000110.2L264 L284 Q292 F294L264-V290 HydrophobicContact CD1-CG2 4.41Å; L284-V290 HydrophobicContact CD1-CG1 4.35Å; L284-V290 HydrophobicContact CD1-CG2 4.16Å; L284-V290 HydrophobicContact CD2-CG1 4.49Å; L284-V290 HydrophobicContact CD2-CG2 3.91Å; V290-Q292 HydrophobicContact CG2-CB 4.43Å; V290-F294 HydrophobicContact CG2-CD2 4.25Å; V290-F294 HydrophobicContact CG2-CE2 3.44Å; V290-F294 VanDerWaalsContact CG2-CE2 3.44Å; V290-F294 HydrophobicContact CG2-CZ 4.25Å
291E89.8Confident94.2Very high185 Ų18547.3 Ų47.386%0.86424%0.243SC*.SBendtrans-76-29.8-176.3-64179.9178.700112.8
292Q89.4Confident94.1Very high35 Ų3546.9 Ų46.916%0.16424%0.241CC..SBendtrans-69.3151.3178.6-6281.1200111.6L264 S270 P273 V290 F294L264-Q292 HydrophobicContact CD1-CG 4.37Å; S270-Q292 PolarHBondContact O-NE2 2.84Å; P273-Q292 HydrophobicContact CB-CB 4.49Å; P273-Q292 HydrophobicContact CB-CG 4.47Å; V290-Q292 HydrophobicContact CG2-CB 4.43Å; Q292-F294 HydrophobicContact CB-CE2 3.81Å; Q292-F294 HydrophobicContact CB-CZ 4.22Å; Q292-F294 VanDerWaalsContact O-CD2 3.3Å; Q292-F294 WeakPolarHBondContact O-CD2 3.36Å; Q292-F294 WeakPolarHBondContact O-CE2 3.42Å
293T90.6Very high94Very high59 Ų5948.3 Ų48.336%0.36225%0.248SC..  trans-95.9126-176.5-590000112.7R59 P61R59-T293 PolarHBondContact NH1-O 2.98Å; P61-T293 HydrophobicContact CG-CG2 3.66Å
294F93.9Very high93.9Very high11 Ų1152.5 Ų52.55%0.04827%0.27CS..  trans-115.2164.7179.3-63.7-91.6000111.4V259 L264 P273 R282 L284 V290 Q292V259-F294 HydrophobicContact CB-CE1 3.83Å; V259-F294 HydrophobicContact CB-CZ 4Å; V259-F294 HydrophobicContact CG1-CZ 4.36Å; V259-F294 HydrophobicContact CG2-CE1 3.48Å; V259-F294 VanDerWaalsContact CG2-CE1 3.48Å; V259-F294 HydrophobicContact CG2-CZ 3.76Å; L264-F294 HydrophobicContact CD1-CZ 4.1Å; P273-F294 HydrophobicContact CB-CZ 4.45Å; P273-F294 HydrophobicContact CG-CZ 4.35Å; R282-F294 HydrophobicContact CB-CD1 3.76Å; R282-F294 HydrophobicContact CB-CE1 4.33Å; L284-F294 HydrophobicContact CB-CB 4.28Å; L284-F294 HydrophobicContact CB-CD1 3.98Å; L284-F294 HydrophobicContact CB-CD2 3.81Å; L284-F294 HydrophobicContact CB-CE1 4.3Å; L284-F294 HydrophobicContact CB-CE2 4.16Å; L284-F294 HydrophobicContact CB-CG 3.73Å; L284-F294 HydrophobicContact CB-CZ 4.4Å; L284-F294 HydrophobicContact CD1-CE2 4.3Å; L284-F294 HydrophobicContact CD1-CZ 4.32Å; L284-F294 HydrophobicContact CD2-CD2 4.31Å; L284-F294 HydrophobicContact CD2-CE2 4.44Å; V290-F294 HydrophobicContact CG2-CD2 4.25Å; V290-F294 HydrophobicContact CG2-CE2 3.44Å; V290-F294 VanDerWaalsContact CG2-CE2 3.44Å; V290-F294 HydrophobicContact CG2-CZ 4.25Å; Q292-F294 HydrophobicContact CB-CE2 3.81Å; Q292-F294 HydrophobicContact CB-CZ 4.22Å; Q292-F294 VanDerWaalsContact O-CD2 3.3Å; Q292-F294 WeakPolarHBondContact O-CD2 3.36Å; Q292-F294 WeakPolarHBondContact O-CE2 3.42Å
295D95Very high93.8Very high7 Ų752.4 Ų52.44%0.03727%0.27CS..SBendtrans-80.9-31.2172.4-53.5-46.9000112R59 P61 L62 F63 G65 P281 R282R59-D295 IonicContact CZ-OD1 3.55Å; R59-D295 IonicContact CZ-OD2 3.65Å; R59-D295 IonicContact NH1-OD1 3.68Å; R59-D295 PolarHBondContact NH1-OD1 3.47Å; R59-D295 IonicContact NH1-OD2 3.01Å; R59-D295 IonicContact NH2-OD1 3.05Å; R59-D295 PolarHBondContact NH2-OD1 2.82Å; R59-D295 IonicContact NH2-OD2 3.57Å; R59-D295 PolarHBondContact NH2-OD2 3.06Å; P61-D295 VanDerWaalsContact CA-OD1 3.32Å; P61-D295 WeakPolarHBondContact CA-OD1 3.41Å; L62-D295 PolarHBondContact N-OD1 3.47Å; F63-D295 HydrophobicContact CD2-CB 4.32Å; F63-D295 HydrophobicContact CE1-CB 4.36Å; F63-D295 HydrophobicContact CE2-CB 3.96Å; F63-D295 HydrophobicContact CZ-CB 3.97Å; G65-D295 PolarHBondContact N-O 2.96Å; P281-D295 WeakPolarHBondContact CA-OD2 2.97Å; R282-D295 PolarHBondContact N-OD2 3.35Å; R282-D295 PolarHBondContact O-N 3.46Å
296I95.8Very high93.7Very high4 Ų452.3 Ų52.32%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-138.2126.8178.7-50.4-178.6000108.7F63 E70 V71 L74 V283 L284 I298F63-I296 HydrophobicContact CE2-CD1 4.08Å; F63-I296 HydrophobicContact CE2-CG1 4.11Å; E70-I296 HydrophobicContact CB-CD1 3.85Å; V71-I296 HydrophobicContact CG2-CB 4.25Å; V71-I296 HydrophobicContact CG2-CD1 3.74Å; V71-I296 HydrophobicContact CG2-CG2 3.82Å; L74-I296 HydrophobicContact CD1-CD1 3.97Å; V283-I296 WeakPolarHBondContact CA-O 3.19Å; V283-I296 HydrophobicContact CG1-CB 4.28Å; V283-I296 HydrophobicContact CG2-CB 4.28Å; V283-I296 HydrophobicContact CG2-CD1 4.47Å; L284-I296 PolarHBondContact N-O 3.16Å; I296-I298 HydrophobicContact CG2-CD1 3.66Å; I296-I298 HydrophobicContact CG2-CG1 4.14Å
297D95.6Very high93.7Very high61 Ų6154.7 Ų54.733%0.32629%0.287SS..EExtended strand (participates in β ladder)trans-104.5114.1169.8-70.7-11.1000109.4K289 I299K289-D297 IonicContact NZ-OD2 2.77Å; K289-D297 PolarHBondContact NZ-OD2 3.11Å; D297-I299 HydrophobicContact CB-CD1 4.07Å; D297-I299 HydrophobicContact CB-CG1 4.26Å
298I96.6Very high93.9Very high14 Ų1456.2 Ų56.27%0.07229%0.289CS..EExtended strand (participates in β ladder)trans-102.3104.7169-53.3-57000108L68 V71 L284 I285 N286 I296 A305L68-I298 HydrophobicContact CD2-CD1 4.16Å; L68-I298 HydrophobicContact CD2-CG1 4.13Å; L68-I298 HydrophobicContact CD2-CG2 3.91Å; L68-I298 HydrophobicContact CG-CD1 4.14Å; L68-I298 HydrophobicContact CG-CG2 4.31Å; V71-I298 HydrophobicContact CG2-CD1 4.11Å; V71-I298 HydrophobicContact CG2-CG1 4.03Å; L284-I298 PolarHBondContact O-N 3.29Å; I285-I298 WeakPolarHBondContact CA-O 3.43Å; I285-I298 HydrophobicContact CG1-CB 4.14Å; I285-I298 HydrophobicContact CG1-CG1 4.32Å; I285-I298 HydrophobicContact CG2-CB 4.48Å; I285-I298 HydrophobicContact CG2-CG2 4.41Å; N286-I298 PolarHBondContact N-O 3.12Å; I296-I298 HydrophobicContact CG2-CD1 3.66Å; I296-I298 HydrophobicContact CG2-CG1 4.14Å; I298-A305 HydrophobicContact CG2-CB 4.1Å
299I95.4Very high94.2Very high78 Ų7850.8 Ų50.840%0.426%0.26SS..EExtended strand (participates in β ladder)trans-100.786.2-174.2-50.6-56.3000110.8L284 N286 C287 K289 D297L284-I299 HydrophobicContact CD2-CD1 4.17Å; N286-I299 CarbonylContact O-C 3.56Å; N286-I299 WeakPolarHBondContact O-CA 3.43Å; C287-I299 VanDerWaalsContact O-CG2 3.26Å; C287-I299 WeakPolarHBondContact O-CG2 3.12Å; K289-I299 HydrophobicContact CG-CD1 3.88Å; K289-I299 HydrophobicContact CG-CG1 4.22Å; D297-I299 HydrophobicContact CB-CD1 4.07Å; D297-I299 HydrophobicContact CB-CG1 4.26Å
300C93.3Very high94.4Very high39 Ų3944.6 Ų44.626%0.26423%0.234SC..SBendtrans-162.6-178.1176.864.60000111.4N286 C287N286-C300 CarbonylContact C-O 3.48Å; N286-C300 VanDerWaalsContact C-O 3.23Å; N286-C300 PolarHBondContact O-N 3.04Å; N286-C300 VanDerWaalsContact O-N 3.07Å; C287-C300 PolarHBondContact N-O 3.16Å
301H92.4Very high94.5Very high124 Ų12450.6 Ų50.657%0.57426%0.26SS*.  trans-65142.1171.2-70-68.2000111.2C287 D303 D304 A305C287-H301 PolarHBondContact SG-ND1 2.84Å; C287-H301 VanDerWaalsContact SG-ND1 3.37Å; H301-D303 PolarHBondContact O-N 3.44Å; H301-D304 HydrophobicContact CB-CB 4.47Å; H301-D304 IonicContact CD2-OD2 2.82Å; H301-D304 PolarHBondContact O-N 3.19Å; H301-A305 PolarHBondContact O-N 2.84Å; H301-A305 VanDerWaalsContact O-N 3.14Å
302C94.2Very high94.9Very high5 Ų545.9 Ų45.93%0.03424%0.239CC..Hα-helixtrans-59.8-44-174.1-64.10000112.2T153 V260 G261 D304 A305 V306T153-C302 HydrophobicContact CG2-CB 4.35Å; T153-C302 WeakPolarHBondContact OG1-CB 3.44Å; V260-C302 HydrophobicContact CG1-CB 4.2Å; G261-C302 VanDerWaalsContact CA-SG 3.52Å; C302-D304 VanDerWaalsContact C-N 3.33Å; C302-D304 PolarHBondContact O-N 3.24Å; C302-A305 PolarHBondContact O-N 3.33Å; C302-V306 WeakPolarHBondContact O-CB 3.2Å; C302-V306 VanDerWaalsContact O-CG2 3.28Å; C302-V306 WeakPolarHBondContact O-CG2 3.47Å; C302-V306 PolarHBondContact O-N 2.82Å
303D93.9Very high95.2Very high32 Ų3245.4 Ų45.417%0.17124%0.237CC..Hα-helixtrans-66.1-34.2179.7-75.2-9.9000112.4S92 L152 T153 H301 V306 S307S92-D303 WeakPolarHBondContact CB-OD2 3.11Å; S92-D303 PolarHBondContact OG-OD2 2.99Å; L152-D303 HydrophobicContact CB-CB 4.36Å; T153-D303 WeakPolarHBondContact CB-OD1 3.5Å; T153-D303 PolarHBondContact N-OD1 3.41Å; T153-D303 PolarHBondContact OG1-N 3.39Å; T153-D303 PolarHBondContact OG1-OD1 3.2Å; H301-D303 PolarHBondContact O-N 3.44Å; D303-V306 PolarHBondContact O-N 3.02Å; D303-S307 WeakPolarHBondContact O-CB 3.31Å; D303-S307 PolarHBondContact O-N 3.3Å
304D94.5Very high95.4Very high87 Ų8745.8 Ų45.847%0.46525%0.252SS..Hα-helixtrans-67.2-41.4176.3-64.2-22.7000111.5H301 C302 Q308H301-D304 HydrophobicContact CB-CB 4.47Å; H301-D304 IonicContact CD2-OD2 2.82Å; H301-D304 PolarHBondContact O-N 3.19Å; C302-D304 VanDerWaalsContact C-N 3.33Å; C302-D304 PolarHBondContact O-N 3.24Å; D304-Q308 PolarHBondContact O-N 3.26Å; D304-Q308 PolarHBondContact O-NE2 2.98Å; D304-Q308 VanDerWaalsContact O-NE2 3.15Å
305A95.8Very high95.4Very high0 Ų047 Ų470%026%0.258CS..Hα-helixtrans-63.6-48.5173.500000110.9L68 I285 I298 H301 C302 S307 Q308 L309L68-A305 HydrophobicContact CD2-CB 4.27Å; I285-A305 HydrophobicContact CG2-CB 3.54Å; I298-A305 HydrophobicContact CG2-CB 4.1Å; H301-A305 PolarHBondContact O-N 2.84Å; H301-A305 VanDerWaalsContact O-N 3.14Å; C302-A305 PolarHBondContact O-N 3.33Å; A305-S307 PolarHBondContact O-N 2.88Å; A305-Q308 PolarHBondContact O-N 2.79Å; A305-L309 VanDerWaalsContact O-CG 3.31Å; A305-L309 WeakPolarHBondContact O-CG 3.45Å; A305-L309 PolarHBondContact O-N 3.33Å
306V95.7Very high95.1Very high1 Ų155.5 Ų55.51%0.00630%0.295CS..Hα-helixtrans-63.4-41.7-177.5167.60000111.6L152 T153 F156 C302 D303 Q308 L309 M310L152-V306 HydrophobicContact CD2-CG1 4.27Å; L152-V306 HydrophobicContact CG-CG1 3.9Å; T153-V306 HydrophobicContact CG2-CG2 4.07Å; F156-V306 HydrophobicContact CB-CG1 3.37Å; F156-V306 HydrophobicContact CD1-CG1 4.03Å; F156-V306 HydrophobicContact CD1-CG2 4.09Å; F156-V306 HydrophobicContact CD2-CG1 4.14Å; F156-V306 HydrophobicContact CG-CG1 3.59Å; F156-V306 HydrophobicContact CG-CG2 4.49Å; C302-V306 WeakPolarHBondContact O-CB 3.2Å; C302-V306 VanDerWaalsContact O-CG2 3.28Å; C302-V306 WeakPolarHBondContact O-CG2 3.47Å; C302-V306 PolarHBondContact O-N 2.82Å; D303-V306 PolarHBondContact O-N 3.02Å; V306-Q308 VanDerWaalsContact C-N 3.31Å; V306-Q308 PolarHBondContact O-N 3.2Å; V306-L309 PolarHBondContact O-N 3.1Å; V306-M310 HydrophobicContact CG1-CG 4.34Å; V306-M310 HydrophobicContact CG1-SD 4.12Å; V306-M310 WeakPolarHBondContact O-CG 3.38Å; V306-M310 PolarHBondContact O-N 3.15Å
307S95.5Very high94.5Very high63 Ų6361.4 Ų61.444%0.44133%0.326SS..Hα-helixtrans-57.4-45.6176.9-172.20000111.5D303 A305 M310 E311D303-S307 WeakPolarHBondContact O-CB 3.31Å; D303-S307 PolarHBondContact O-N 3.3Å; A305-S307 PolarHBondContact O-N 2.88Å; S307-M310 PolarHBondContact O-N 3.01Å; S307-E311 PolarHBondContact O-N 3.1Å; S307-E311 VanDerWaalsContact O-N 3.16Å
308Q96.4Very high94.5Very high84 Ų8461.4 Ų61.439%0.39333%0.326SS..Hα-helixtrans-69.2-39.3177.7-72.3175.274.500112.4L68 D304 A305 V306 M310 E311 M312L68-Q308 HydrophobicContact CD1-CB 3.83Å; L68-Q308 HydrophobicContact CD1-CG 4.38Å; D304-Q308 PolarHBondContact O-N 3.26Å; D304-Q308 PolarHBondContact O-NE2 2.98Å; D304-Q308 VanDerWaalsContact O-NE2 3.15Å; A305-Q308 PolarHBondContact O-N 2.79Å; V306-Q308 VanDerWaalsContact C-N 3.31Å; V306-Q308 PolarHBondContact O-N 3.2Å; Q308-M310 VanDerWaalsContact C-N 3.34Å; Q308-M310 PolarHBondContact O-N 3.5Å; Q308-E311 PolarHBondContact O-N 3.29Å; Q308-M312 HydrophobicContact CB-CE 4.49Å; Q308-M312 VanDerWaalsContact O-CG 3.26Å; Q308-M312 WeakPolarHBondContact O-CG 3.39Å; Q308-M312 PolarHBondContact O-N 3.38Å
309L97.5Very high94.4Very high0 Ų063.9 Ų63.90%034%0.339CS..Hα-helixtrans-60.6-44.4175.3-72.6171.9000111.4L68 V71 A72 I75 I285 A305 V306 E311 M312 M313L68-L309 HydrophobicContact CD2-CD1 4.36Å; L68-L309 HydrophobicContact CD2-CD2 3.81Å; L68-L309 HydrophobicContact CD2-CG 3.86Å; V71-L309 HydrophobicContact CB-CD2 3.95Å; V71-L309 HydrophobicContact CG1-CD1 4.14Å; V71-L309 HydrophobicContact CG1-CD2 3.77Å; A72-L309 HydrophobicContact CB-CD2 4.02Å; I75-L309 HydrophobicContact CD1-CD1 4.12Å; I285-L309 HydrophobicContact CD1-CD1 4.03Å; A305-L309 VanDerWaalsContact O-CG 3.31Å; A305-L309 WeakPolarHBondContact O-CG 3.45Å; A305-L309 PolarHBondContact O-N 3.33Å; V306-L309 PolarHBondContact O-N 3.1Å; L309-E311 VanDerWaalsContact C-N 3.35Å; L309-E311 PolarHBondContact O-N 2.79Å; L309-M312 PolarHBondContact O-N 3.12Å; L309-M313 VanDerWaalsContact O-CB 3.31Å; L309-M313 WeakPolarHBondContact O-CB 3.48Å; L309-M313 WeakPolarHBondContact O-CG 3.37Å; L309-M313 PolarHBondContact O-N 2.62Å
310M97.2Very high94.3Very high17 Ų1763.1 Ų63.18%0.08434%0.336CS..Hα-helixtrans-60.4-44.6177.3-75.1-179.357.500111.9L152 F156 V306 S307 Q308 M313 G314 E315 L317L152-M310 HydrophobicContact CD1-SD 3.89Å; F156-M310 HydrophobicContact CB-SD 4.47Å; F156-M310 HydrophobicContact CD2-CG 3.62Å; F156-M310 HydrophobicContact CD2-SD 4.21Å; F156-M310 HydrophobicContact CE2-CG 4.05Å; V306-M310 HydrophobicContact CG1-CG 4.34Å; V306-M310 HydrophobicContact CG1-SD 4.12Å; V306-M310 WeakPolarHBondContact O-CG 3.38Å; V306-M310 PolarHBondContact O-N 3.15Å; S307-M310 PolarHBondContact O-N 3.01Å; Q308-M310 VanDerWaalsContact C-N 3.34Å; Q308-M310 PolarHBondContact O-N 3.5Å; M310-M313 PolarHBondContact O-N 2.81Å; M310-G314 PolarHBondContact O-N 3.11Å; M310-E315 PolarHBondContact O-N 3.43Å; M310-L317 HydrophobicContact CE-CB 4.22Å; M310-L317 HydrophobicContact CE-CD1 3.71Å; M310-L317 HydrophobicContact CE-CG 3.51Å; M310-L317 HydrophobicContact SD-CD1 3.88Å; M310-L317 HydrophobicContact SD-CG 4.23Å
311E96.9Very high94.4Very high157 Ų15764.5 Ų64.573%0.73434%0.34SS*.Hα-helixtrans-60-49176-174.9176.8-172.300111.5S307 Q308 L309 M313 G314S307-E311 PolarHBondContact O-N 3.1Å; S307-E311 VanDerWaalsContact O-N 3.16Å; Q308-E311 PolarHBondContact O-N 3.29Å; L309-E311 VanDerWaalsContact C-N 3.35Å; L309-E311 PolarHBondContact O-N 2.79Å; E311-M313 VanDerWaalsContact C-N 3.27Å; E311-M313 PolarHBondContact O-N 2.89Å; E311-G314 PolarHBondContact O-N 3.1Å; E311-G314 VanDerWaalsContact O-N 3.09Å
312M96.4Very high94.5Very high85 Ų8560.8 Ų60.842%0.41933%0.325SS..Hα-helixtrans-62.8-32.4178.8-69.1177-171.500113L68 P69 A72 Q308 L309 G314L68-M312 HydrophobicContact CB-CE 3.87Å; L68-M312 HydrophobicContact CB-SD 3.99Å; P69-M312 HydrophobicContact CB-SD 4.43Å; P69-M312 HydrophobicContact CG-CE 4.16Å; P69-M312 HydrophobicContact CG-SD 4.13Å; A72-M312 HydrophobicContact CB-CB 3.94Å; A72-M312 HydrophobicContact CB-SD 4.43Å; Q308-M312 HydrophobicContact CB-CE 4.49Å; Q308-M312 VanDerWaalsContact O-CG 3.26Å; Q308-M312 WeakPolarHBondContact O-CG 3.39Å; Q308-M312 PolarHBondContact O-N 3.38Å; L309-M312 PolarHBondContact O-N 3.12Å; M312-G314 VanDerWaalsContact C-N 3.34Å
313M96.6Very high94.5Very high26 Ų2664.5 Ų64.513%0.12835%0.345CS..Hα-helixtrans-84.7-7.6178.3-67.4172.552.100113.1A72 I75 M76 F156 L160 L309 M310 E311 E315A72-M313 HydrophobicContact CB-CG 3.98Å; I75-M313 HydrophobicContact CB-CE 4.43Å; I75-M313 HydrophobicContact CB-SD 4.15Å; I75-M313 HydrophobicContact CG2-CE 3.59Å; I75-M313 HydrophobicContact CG2-SD 3.82Å; M76-M313 HydrophobicContact CG-CB 4.49Å; M76-M313 HydrophobicContact CG-CE 4.27Å; M76-M313 HydrophobicContact CG-CG 3.91Å; M76-M313 HydrophobicContact SD-CB 4.45Å; M76-M313 HydrophobicContact SD-CG 4.2Å; F156-M313 HydrophobicContact CE2-CE 4.41Å; F156-M313 HydrophobicContact CE2-SD 4.26Å; F156-M313 HydrophobicContact CZ-SD 4.28Å; L160-M313 HydrophobicContact CD2-CE 4.13Å; L309-M313 VanDerWaalsContact O-CB 3.31Å; L309-M313 WeakPolarHBondContact O-CB 3.48Å; L309-M313 WeakPolarHBondContact O-CG 3.37Å; L309-M313 PolarHBondContact O-N 2.62Å; M310-M313 PolarHBondContact O-N 2.81Å; E311-M313 VanDerWaalsContact C-N 3.27Å; E311-M313 PolarHBondContact O-N 2.89Å; M313-E315 VanDerWaalsContact C-N 3.25Å; M313-E315 HydrophobicContact CB-CG 4.1Å; M313-E315 HydrophobicContact CE-CG 4.29Å; M313-E315 PolarHBondContact O-N 3.44Å
314G95.8Very high94.5Very high66 Ų6666.9 Ų66.968%0.6836%0.357SS*.THydrogen-bonded Turntrans67.224.2-174.900000113.8M310 E311 M312M310-G314 PolarHBondContact O-N 3.11Å; E311-G314 PolarHBondContact O-N 3.1Å; E311-G314 VanDerWaalsContact O-N 3.09Å; M312-G314 VanDerWaalsContact C-N 3.34Å
315E92.1Very high94.5Very high38 Ų3865.3 Ų65.318%0.17835%0.349CS..  trans-94147.7-179.3-71.8-72.4-167.900111.4L159 R163 M310 M313L159-E315 HydrophobicContact CD2-CB 3.86Å; L159-E315 HydrophobicContact CD2-CG 4.18Å; R163-E315 IonicContact CZ-OE1 3.69Å; R163-E315 IonicContact CZ-OE2 3.62Å; R163-E315 IonicContact NE-OE1 3.09Å; R163-E315 PolarHBondContact NE-OE1 2.89Å; R163-E315 VanDerWaalsContact NE-OE1 3.09Å; R163-E315 IonicContact NE-OE2 3.56Å; R163-E315 IonicContact NH2-OE1 3.55Å; R163-E315 IonicContact NH2-OE2 2.82Å; R163-E315 PolarHBondContact NH2-OE2 3.13Å; M310-E315 PolarHBondContact O-N 3.43Å; M313-E315 VanDerWaalsContact C-N 3.25Å; M313-E315 HydrophobicContact CB-CG 4.1Å; M313-E315 HydrophobicContact CE-CG 4.29Å; M313-E315 PolarHBondContact O-N 3.44Å
316K88.7Confident94.4Very high184 Ų18470.8 Ų70.880%0.838%0.378SS*.  trans-134.6144.1176.2-63.8-175.6-179.2-178.10109.6
317L84.5Confident94.3Very high128 Ų12877.1 Ų77.167%0.6741%0.411SS*.  trans-89.70175.2-75.3166.1000112.1L152 Q155 L159 M310L152-L317 HydrophobicContact CD1-CD1 3.34Å; Q155-L317 HydrophobicContact CB-CD1 3.6Å; Q155-L317 HydrophobicContact CB-CD2 3.85Å; Q155-L317 HydrophobicContact CB-CG 4.37Å; L159-L317 HydrophobicContact CB-CD2 4.11Å; L159-L317 HydrophobicContact CD2-CD2 4.38Å; M310-L317 HydrophobicContact CE-CB 4.22Å; M310-L317 HydrophobicContact CE-CD1 3.71Å; M310-L317 HydrophobicContact CE-CG 3.51Å; M310-L317 HydrophobicContact SD-CD1 3.88Å; M310-L317 HydrophobicContact SD-CG 4.23Å

Retrieved 317 of 317 residues in 557.8 ms (Link to these results)

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