A0A077ZLY6_TRITR Loading...

GCV H and FTSW RODA SPOVE domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZLY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 283 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
1M55.5Low66.3Low90 Ų9098.5 Ų98.544%0.44352%0.524SS..  0-51.30-162.5-174156.700113L3 M4 S5 Y142 S145 M149M1-L3 PolarHBondContact O-N 3.02Å; M1-M4 WeakPolarHBondContact O-CA 3.2Å; M1-M4 WeakPolarHBondContact O-CB 3.41Å; M1-M4 PolarHBondContact O-N 3.13Å; M1-S5 PolarHBondContact O-N 2.89Å; M1-Y142 HydrophobicContact CE-CD1 4.36Å; M1-S145 WeakPolarHBondContact CE-OG 3.28Å; M1-S145 WeakPolarHBondContact SD-CB 3.09Å; M1-S145 PolarHBondContact SD-OG 3.05Å; M1-M149 HydrophobicContact SD-CG 3.94Å
2F54.3Low67.6Low119 Ų11992.4 Ų92.452%0.52249%0.492SS..THydrogen-bonded Turntrans-54.9-33.9172.5-72.9-80.1000114M4 S5 I7 L12F2-M4 VanDerWaalsContact C-N 3.28Å; F2-M4 PolarHBondContact O-N 2.92Å; F2-S5 PolarHBondContact O-N 3.31Å; F2-I7 HydrophobicContact CD1-CD1 3.74Å; F2-I7 HydrophobicContact CE1-CD1 4.33Å; F2-L12 HydrophobicContact CB-CD1 3.7Å; F2-L12 HydrophobicContact CG-CD1 4.33Å
3L53.1Low69Low154 Ų15490.3 Ų90.381%0.80648%0.484SS*.THydrogen-bonded Turntrans-64.6-26.3171.6-79.5159.6000114M1M1-L3 PolarHBondContact O-N 3.02Å
4M53.4Low70.5Confident65 Ų6588.9 Ų88.932%0.3248%0.482SS..THydrogen-bonded Turntrans-78.7-31.2-179.2-62-179.968.200112.3M1 F2 G6 C132 F133M1-M4 WeakPolarHBondContact O-CA 3.2Å; M1-M4 WeakPolarHBondContact O-CB 3.41Å; M1-M4 PolarHBondContact O-N 3.13Å; F2-M4 VanDerWaalsContact C-N 3.28Å; F2-M4 PolarHBondContact O-N 2.92Å; M4-G6 PolarHBondContact O-N 2.93Å; M4-C132 HydrophobicContact CE-CB 3.87Å; M4-F133 HydrophobicContact CB-CE1 4.31Å; M4-F133 HydrophobicContact CE-CB 4.17Å; M4-F133 HydrophobicContact CE-CD1 3.25Å; M4-F133 HydrophobicContact CE-CD2 3.36Å; M4-F133 HydrophobicContact CE-CE1 3.32Å; M4-F133 HydrophobicContact CE-CE2 3.41Å; M4-F133 VanDerWaalsContact CE-CE2 3.41Å; M4-F133 HydrophobicContact CE-CG 3.28Å; M4-F133 HydrophobicContact CE-CZ 3.4Å; M4-F133 VanDerWaalsContact CE-CZ 3.4Å; M4-F133 HydrophobicContact CG-CD1 4.39Å; M4-F133 HydrophobicContact CG-CE1 3.48Å; M4-F133 VanDerWaalsContact CG-CE1 3.48Å; M4-F133 HydrophobicContact CG-CE2 4.09Å; M4-F133 HydrophobicContact CG-CZ 3.3Å; M4-F133 HydrophobicContact SD-CD1 4.38Å; M4-F133 HydrophobicContact SD-CD2 4.11Å; M4-F133 HydrophobicContact SD-CE1 3.86Å; M4-F133 HydrophobicContact SD-CE2 3.54Å; M4-F133 VanDerWaalsContact SD-CE2 3.54Å; M4-F133 HydrophobicContact SD-CG 4.5Å; M4-F133 HydrophobicContact SD-CZ 3.41Å; M4-F133 WeakPolarHBondContact SD-CZ 3.39Å
5S59.6Low71.7Confident46 Ų4686.8 Ų86.832%0.32247%0.474SS..THydrogen-bonded Turntrans-79.9-0.8-175.6-179.50000113.3M1 F2 I7M1-S5 PolarHBondContact O-N 2.89Å; F2-S5 PolarHBondContact O-N 3.31Å; S5-I7 PolarHBondContact O-N 2.94Å; S5-I7 VanDerWaalsContact O-N 3.14Å; S5-I7 WeakPolarHBondContact OG-CD1 3.26Å; S5-I7 WeakPolarHBondContact OG-CG1 3.11Å
6G65.3Low72.7Confident70 Ų7086.6 Ų86.672%0.72247%0.471SS*.THydrogen-bonded Turntrans63.617.1-175.400000113.5M4 S8M4-G6 PolarHBondContact O-N 2.93Å; G6-S8 PolarHBondContact O-N 3.23Å
7I70.3Confident73.9Confident54 Ų5486.5 Ų86.528%0.27747%0.469SS..  trans-60.4127.6-178.2-70.8167.2000108.9F2 S5 I11F2-I7 HydrophobicContact CD1-CD1 3.74Å; F2-I7 HydrophobicContact CE1-CD1 4.33Å; S5-I7 PolarHBondContact O-N 2.94Å; S5-I7 VanDerWaalsContact O-N 3.14Å; S5-I7 WeakPolarHBondContact OG-CD1 3.26Å; S5-I7 WeakPolarHBondContact OG-CG1 3.11Å; I7-I11 HydrophobicContact CG2-CB 3.68Å; I7-I11 HydrophobicContact CG2-CD1 4.1Å; I7-I11 HydrophobicContact CG2-CG1 4.43Å; I7-I11 HydrophobicContact CG2-CG2 3.97Å
8S78.9Confident75Confident56 Ų5687.7 Ų87.739%0.39247%0.474SS..  trans-59.4142179.865.50000110.8G6 L10 I11 L12G6-S8 PolarHBondContact O-N 3.23Å; S8-L10 PolarHBondContact O-N 2.86Å; S8-I11 PolarHBondContact O-N 3.12Å; S8-L12 PolarHBondContact O-N 3.05Å
9W75.7Confident75.8Confident190 Ų19086.5 Ų86.572%0.7248%0.477SS*.Hα-helixtrans-52.9-23.6174.7-82.890.9000112.9I11 L12 V13W9-I11 PolarHBondContact O-N 3.13Å; W9-L12 HydrophobicContact CE3-CD2 3.87Å; W9-L12 HydrophobicContact CZ3-CD2 3.78Å; W9-L12 PolarHBondContact O-N 2.87Å; W9-V13 HydrophobicContact CE3-CG2 4.05Å; W9-V13 WeakPolarHBondContact O-CB 3.34Å; W9-V13 WeakPolarHBondContact O-CG2 3.47Å; W9-V13 PolarHBondContact O-N 3.02Å
10L80.9Confident76.7Confident146 Ų14688 Ų8876%0.76448%0.483SS*.Hα-helixtrans-60.5-25.7173.2-78144.6000114.2S8 P14S8-L10 PolarHBondContact O-N 2.86Å; L10-P14 WeakPolarHBondContact O-CD 3.5Å; L10-P14 WeakPolarHBondContact O-CG 3.24Å
11I82.4Confident77.5Confident93 Ų9388.5 Ų88.548%0.47748%0.484SS..Hα-helixtrans-97.1-35.7176.6-61167.9000110.7I7 S8 W9 P14 T15I7-I11 HydrophobicContact CG2-CB 3.68Å; I7-I11 HydrophobicContact CG2-CD1 4.1Å; I7-I11 HydrophobicContact CG2-CG1 4.43Å; I7-I11 HydrophobicContact CG2-CG2 3.97Å; S8-I11 PolarHBondContact O-N 3.12Å; W9-I11 PolarHBondContact O-N 3.13Å; I11-P14 WeakPolarHBondContact O-CD 3.46Å; I11-T15 HydrophobicContact CG2-CG2 4.47Å; I11-T15 WeakPolarHBondContact O-CG2 2.93Å; I11-T15 PolarHBondContact O-N 3.04Å; I11-T15 PolarHBondContact O-OG1 3.02Å
12L81.3Confident79.3Confident26 Ų2687.6 Ų87.614%0.13648%0.484CS..Hα-helixtrans-67.9-39.7-178.4-172.9137.4000112.4F2 S8 W9 T15 I16F2-L12 HydrophobicContact CB-CD1 3.7Å; F2-L12 HydrophobicContact CG-CD1 4.33Å; S8-L12 PolarHBondContact O-N 3.05Å; W9-L12 HydrophobicContact CE3-CD2 3.87Å; W9-L12 HydrophobicContact CZ3-CD2 3.78Å; W9-L12 PolarHBondContact O-N 2.87Å; L12-T15 WeakPolarHBondContact CA-OG1 2.93Å; L12-T15 PolarHBondContact O-N 2.96Å; L12-T15 PolarHBondContact O-OG1 3.49Å; L12-I16 HydrophobicContact CD2-CD1 3.37Å; L12-I16 HydrophobicContact CD2-CG1 4.37Å; L12-I16 HydrophobicContact CG-CD1 3.95Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.36Å
13V86.9Confident81Confident65 Ų6583.3 Ų83.339%0.39447%0.473SS..Hα-helixtrans-66.4-49.8-179.7171.90000111.9W9 T15 I16 I17W9-V13 HydrophobicContact CE3-CG2 4.05Å; W9-V13 WeakPolarHBondContact O-CB 3.34Å; W9-V13 WeakPolarHBondContact O-CG2 3.47Å; W9-V13 PolarHBondContact O-N 3.02Å; V13-T15 VanDerWaalsContact C-N 3.32Å; V13-T15 PolarHBondContact O-N 2.89Å; V13-I16 PolarHBondContact O-N 3.16Å; V13-I17 HydrophobicContact CG1-CD1 3.61Å; V13-I17 HydrophobicContact CG1-CG1 4.31Å; V13-I17 WeakPolarHBondContact O-CB 3.37Å; V13-I17 VanDerWaalsContact O-CG1 3.27Å; V13-I17 WeakPolarHBondContact O-CG1 3.15Å; V13-I17 PolarHBondContact O-N 3.17Å
14P89.7Confident82.7Confident70 Ų7077.9 Ų77.946%0.45545%0.454SS..Hα-helixtrans-60.8-37.1176-26.235.4000113.9L10 I11 I17 L18L10-P14 WeakPolarHBondContact O-CD 3.5Å; L10-P14 WeakPolarHBondContact O-CG 3.24Å; I11-P14 WeakPolarHBondContact O-CD 3.46Å; P14-I17 PolarHBondContact O-N 3.22Å; P14-L18 VanDerWaalsContact O-CB 3.23Å; P14-L18 WeakPolarHBondContact O-CB 3.29Å; P14-L18 PolarHBondContact O-N 2.85Å
15T87.7Confident84.5Confident58 Ų5878 Ų7836%0.35646%0.459SS..Hα-helixtrans-68.3-40.2178.547.50000112I11 L12 V13 L18 A19I11-T15 HydrophobicContact CG2-CG2 4.47Å; I11-T15 WeakPolarHBondContact O-CG2 2.93Å; I11-T15 PolarHBondContact O-N 3.04Å; I11-T15 PolarHBondContact O-OG1 3.02Å; L12-T15 WeakPolarHBondContact CA-OG1 2.93Å; L12-T15 PolarHBondContact O-N 2.96Å; L12-T15 PolarHBondContact O-OG1 3.49Å; V13-T15 VanDerWaalsContact C-N 3.32Å; V13-T15 PolarHBondContact O-N 2.89Å; T15-L18 PolarHBondContact O-N 2.82Å; T15-A19 WeakPolarHBondContact O-CB 3.25Å; T15-A19 PolarHBondContact O-N 3.48Å
16I88.5Confident85.8Confident84 Ų8480.4 Ų80.443%0.43147%0.468SS..Hα-helixtrans-66.2-44.7173.1-68.7175.6000111.1L12 V13 L18 A19 I20L12-I16 HydrophobicContact CD2-CD1 3.37Å; L12-I16 HydrophobicContact CD2-CG1 4.37Å; L12-I16 HydrophobicContact CG-CD1 3.95Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.36Å; V13-I16 PolarHBondContact O-N 3.16Å; I16-L18 VanDerWaalsContact C-N 3.31Å; I16-L18 PolarHBondContact O-N 3.41Å; I16-A19 PolarHBondContact O-N 3.21Å; I16-I20 HydrophobicContact CG2-CD1 3.81Å; I16-I20 HydrophobicContact CG2-CG1 4.39Å; I16-I20 VanDerWaalsContact O-CG1 3.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.06Å; I16-I20 PolarHBondContact O-N 3.17Å
17I92.7Very high86.8Confident85 Ų8581.6 Ų81.644%0.43646%0.457SS..Hα-helixtrans-59.8-44.9176.7-70.4169.9000110.2V13 P14 A19 I20 I21V13-I17 HydrophobicContact CG1-CD1 3.61Å; V13-I17 HydrophobicContact CG1-CG1 4.31Å; V13-I17 WeakPolarHBondContact O-CB 3.37Å; V13-I17 VanDerWaalsContact O-CG1 3.27Å; V13-I17 WeakPolarHBondContact O-CG1 3.15Å; V13-I17 PolarHBondContact O-N 3.17Å; P14-I17 PolarHBondContact O-N 3.22Å; I17-A19 PolarHBondContact O-N 3.36Å; I17-I20 PolarHBondContact O-N 3.2Å; I17-I21 HydrophobicContact CG2-CD1 3.64Å; I17-I21 HydrophobicContact CG2-CG1 4.28Å; I17-I21 WeakPolarHBondContact O-CB 3.38Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.35Å; I17-I21 PolarHBondContact O-N 2.99Å
18L93.3Very high87.7Confident107 Ų10785.1 Ų85.156%0.5647%0.47SS*.Hα-helixtrans-59.8-45.7175.6-179.663.5000111.1P14 T15 I16 I20 I21 V22P14-L18 VanDerWaalsContact O-CB 3.23Å; P14-L18 WeakPolarHBondContact O-CB 3.29Å; P14-L18 PolarHBondContact O-N 2.85Å; T15-L18 PolarHBondContact O-N 2.82Å; I16-L18 VanDerWaalsContact C-N 3.31Å; I16-L18 PolarHBondContact O-N 3.41Å; L18-I20 VanDerWaalsContact C-N 3.32Å; L18-I20 PolarHBondContact O-N 3.24Å; L18-I21 PolarHBondContact O-N 3.2Å; L18-V22 HydrophobicContact CD1-CG2 4.05Å; L18-V22 HydrophobicContact CG-CG2 4.34Å; L18-V22 WeakPolarHBondContact O-CB 3.19Å; L18-V22 VanDerWaalsContact O-CG2 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.41Å; L18-V22 PolarHBondContact O-N 3.27Å
19A91.3Very high88.2Confident65 Ų6584.3 Ų84.354%0.53746%0.461SS..Hα-helixtrans-61.1-39.9177.100000112.4T15 I16 I17 G23T15-A19 WeakPolarHBondContact O-CB 3.25Å; T15-A19 PolarHBondContact O-N 3.48Å; I16-A19 PolarHBondContact O-N 3.21Å; I17-A19 PolarHBondContact O-N 3.36Å; A19-G23 PolarHBondContact O-N 2.86Å
20I92.8Very high88.7Confident117 Ų11775.8 Ų75.860%0.643%0.43SS*.Hα-helixtrans-67-44.8175.7-68.3168.1000110.9I16 I17 L18 G23 G24I16-I20 HydrophobicContact CG2-CD1 3.81Å; I16-I20 HydrophobicContact CG2-CG1 4.39Å; I16-I20 VanDerWaalsContact O-CG1 3.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.06Å; I16-I20 PolarHBondContact O-N 3.17Å; I17-I20 PolarHBondContact O-N 3.2Å; L18-I20 VanDerWaalsContact C-N 3.32Å; L18-I20 PolarHBondContact O-N 3.24Å; I20-G23 PolarHBondContact O-N 2.72Å; I20-G24 PolarHBondContact O-N 3.32Å
21I94.9Very high88.9Confident98 Ų9872 Ų7250%0.50341%0.413SS..Hα-helixtrans-62.5-47.5178.1-70169.3000110I17 L18 T25I17-I21 HydrophobicContact CG2-CD1 3.64Å; I17-I21 HydrophobicContact CG2-CG1 4.28Å; I17-I21 WeakPolarHBondContact O-CB 3.38Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.35Å; I17-I21 PolarHBondContact O-N 2.99Å; L18-I21 PolarHBondContact O-N 3.2Å; I21-T25 WeakPolarHBondContact O-CB 3.35Å; I21-T25 PolarHBondContact O-N 3.26Å; I21-T25 PolarHBondContact O-OG1 3.03Å
22V92.4Very high89.3Confident71 Ų7169.3 Ų69.343%0.4340%0.401SS..Hα-helixtrans-62.6-50.3178.4171.70000110.2L18 G24 T25 L26L18-V22 HydrophobicContact CD1-CG2 4.05Å; L18-V22 HydrophobicContact CG-CG2 4.34Å; L18-V22 WeakPolarHBondContact O-CB 3.19Å; L18-V22 VanDerWaalsContact O-CG2 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.41Å; L18-V22 PolarHBondContact O-N 3.27Å; V22-G24 PolarHBondContact O-N 2.88Å; V22-T25 PolarHBondContact O-N 3.24Å; V22-L26 HydrophobicContact CG1-CD1 3.98Å; V22-L26 HydrophobicContact CG1-CG 4.4Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 2.77Å
23G89.3Confident89.6Confident29 Ų2974.7 Ų74.730%0.29943%0.43SS..Hα-helixtrans-59.4-46.8178.400000112.6A19 I20 T25 L26 I27A19-G23 PolarHBondContact O-N 2.86Å; I20-G23 PolarHBondContact O-N 2.72Å; G23-T25 PolarHBondContact O-N 2.82Å; G23-L26 PolarHBondContact O-N 2.87Å; G23-I27 VanDerWaalsContact O-CG1 3.3Å; G23-I27 WeakPolarHBondContact O-CG1 3.44Å; G23-I27 PolarHBondContact O-N 3.31Å
24G90.2Very high89.6Confident40 Ų4076.2 Ų76.241%0.41244%0.439SS..Hα-helixtrans-64.1-39.4176.600000112.8I20 V22 I27 F28I20-G24 PolarHBondContact O-N 3.32Å; V22-G24 PolarHBondContact O-N 2.88Å; G24-I27 PolarHBondContact O-N 3.41Å; G24-F28 VanDerWaalsContact O-CB 3.29Å; G24-F28 WeakPolarHBondContact O-CB 3.27Å; G24-F28 PolarHBondContact O-N 2.84Å
25T90.7Very high89.6Confident67 Ų6773 Ų7341%0.41142%0.419SS..Hα-helixtrans-65.6-43.3175.7-57.40000111I21 V22 G23 F28 L29I21-T25 WeakPolarHBondContact O-CB 3.35Å; I21-T25 PolarHBondContact O-N 3.26Å; I21-T25 PolarHBondContact O-OG1 3.03Å; V22-T25 PolarHBondContact O-N 3.24Å; G23-T25 PolarHBondContact O-N 2.82Å; T25-F28 PolarHBondContact O-N 2.85Å; T25-L29 HydrophobicContact CG2-CD1 4.05Å; T25-L29 HydrophobicContact CG2-CG 4.29Å; T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 VanDerWaalsContact O-CG 3.25Å; T25-L29 WeakPolarHBondContact O-CG 3.11Å; T25-L29 PolarHBondContact O-N 2.93Å
26L87.5Confident89.7Confident98 Ų9873 Ų7351%0.51341%0.413SS..Hα-helixtrans-63.2-43.9176.9-71.2174.2000111.8V22 G23 L29 V30V22-L26 HydrophobicContact CG1-CD1 3.98Å; V22-L26 HydrophobicContact CG1-CG 4.4Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 2.77Å; G23-L26 PolarHBondContact O-N 2.87Å; L26-L29 PolarHBondContact O-N 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 2.99Å
27I86.1Confident89.7Confident95 Ų9574.7 Ų74.749%0.48742%0.418SS..Hα-helixtrans-60.4-50.2174.8-67.9167.2000109.6G23 G24 L29 V30 T31G23-I27 VanDerWaalsContact O-CG1 3.3Å; G23-I27 WeakPolarHBondContact O-CG1 3.44Å; G23-I27 PolarHBondContact O-N 3.31Å; G24-I27 PolarHBondContact O-N 3.41Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 3.32Å; I27-V30 PolarHBondContact O-N 2.98Å; I27-V30 VanDerWaalsContact O-N 3.12Å; I27-T31 HydrophobicContact CG2-CG2 4.09Å; I27-T31 WeakPolarHBondContact O-CG2 3.49Å; I27-T31 PolarHBondContact O-N 3.28Å; I27-T31 PolarHBondContact O-OG1 3.19Å
28F88.7Confident89.6Confident128 Ų12874.6 Ų74.656%0.56142%0.418SS*.Hα-helixtrans-57-44.7178.1178-94.3000112.5G24 T25 V30 T31 T32G24-F28 VanDerWaalsContact O-CB 3.29Å; G24-F28 WeakPolarHBondContact O-CB 3.27Å; G24-F28 PolarHBondContact O-N 2.84Å; T25-F28 PolarHBondContact O-N 2.85Å; F28-V30 VanDerWaalsContact C-N 3.29Å; F28-V30 PolarHBondContact O-N 3.2Å; F28-T31 PolarHBondContact O-N 3.35Å; F28-T31 PolarHBondContact O-OG1 3.38Å; F28-T32 HydrophobicContact CD2-CG2 3.87Å; F28-T32 HydrophobicContact CE1-CG2 4.36Å; F28-T32 HydrophobicContact CE2-CG2 3.61Å; F28-T32 HydrophobicContact CG-CG2 4.36Å; F28-T32 HydrophobicContact CZ-CG2 3.87Å; F28-T32 WeakPolarHBondContact O-CB 3.38Å; F28-T32 WeakPolarHBondContact O-CG2 3.39Å; F28-T32 PolarHBondContact O-N 3.42Å; F28-T32 VanDerWaalsContact O-N 3.1Å; F28-T32 PolarHBondContact O-OG1 2.94Å
29L89.1Confident89.4Confident38 Ų3870.2 Ų70.220%0.19940%0.395CS..Hα-helixtrans-62.7-36.4178.6-76.3173.7000111.8T25 L26 I27 G35 R36 L39T25-L29 HydrophobicContact CG2-CD1 4.05Å; T25-L29 HydrophobicContact CG2-CG 4.29Å; T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 VanDerWaalsContact O-CG 3.25Å; T25-L29 WeakPolarHBondContact O-CG 3.11Å; T25-L29 PolarHBondContact O-N 2.93Å; L26-L29 PolarHBondContact O-N 3.27Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 3.32Å; L29-G35 CarbonylContact O-C 3.5Å; L29-G35 WeakPolarHBondContact O-CA 3.37Å; L29-R36 PolarHBondContact O-N 3.17Å; L29-L39 HydrophobicContact CB-CD1 3.95Å; L29-L39 HydrophobicContact CB-CG 4.36Å
30V86.5Confident89.3Confident11 Ų1170 Ų707%0.06739%0.389CS..Hα-helixtrans-84.3-28.7179.7-176.80000112.6L26 I27 F28 R36 L39 F49 I52L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 2.99Å; I27-V30 PolarHBondContact O-N 2.98Å; I27-V30 VanDerWaalsContact O-N 3.12Å; F28-V30 VanDerWaalsContact C-N 3.29Å; F28-V30 PolarHBondContact O-N 3.2Å; V30-R36 WeakPolarHBondContact O-CG 3.23Å; V30-R36 VanDerWaalsContact O-CZ 3.31Å; V30-R36 PolarHBondContact O-NE 2.8Å; V30-R36 PolarHBondContact O-NH2 3.09Å; V30-L39 HydrophobicContact CG2-CD1 3.62Å; V30-F49 HydrophobicContact CG1-CD1 4.09Å; V30-I52 HydrophobicContact CB-CD1 4Å; V30-I52 HydrophobicContact CB-CG2 4.23Å; V30-I52 HydrophobicContact CG1-CB 3.69Å; V30-I52 HydrophobicContact CG1-CD1 3.48Å; V30-I52 VanDerWaalsContact CG1-CD1 3.48Å; V30-I52 HydrophobicContact CG1-CG1 4.11Å; V30-I52 HydrophobicContact CG1-CG2 3.39Å; V30-I52 HydrophobicContact CG2-CD1 3.72Å
31T85.7Confident89.1Confident67 Ų6771.6 Ų71.641%0.41139%0.394SS..Hα-helixtrans-84.3-19.4-17856.60000113.8I27 F28 L56I27-T31 HydrophobicContact CG2-CG2 4.09Å; I27-T31 WeakPolarHBondContact O-CG2 3.49Å; I27-T31 PolarHBondContact O-N 3.28Å; I27-T31 PolarHBondContact O-OG1 3.19Å; F28-T31 PolarHBondContact O-N 3.35Å; F28-T31 PolarHBondContact O-OG1 3.38Å; T31-L56 HydrophobicContact CG2-CD1 4.01Å
32T89.5Confident88.8Confident36 Ų3673.1 Ų73.122%0.22140%0.402CS..SBendtrans-102144.1-177.759.40000112.5F28 T34 G35 R36F28-T32 HydrophobicContact CD2-CG2 3.87Å; F28-T32 HydrophobicContact CE1-CG2 4.36Å; F28-T32 HydrophobicContact CE2-CG2 3.61Å; F28-T32 HydrophobicContact CG-CG2 4.36Å; F28-T32 HydrophobicContact CZ-CG2 3.87Å; F28-T32 WeakPolarHBondContact O-CB 3.38Å; F28-T32 WeakPolarHBondContact O-CG2 3.39Å; F28-T32 PolarHBondContact O-N 3.42Å; F28-T32 VanDerWaalsContact O-N 3.1Å; F28-T32 PolarHBondContact O-OG1 2.94Å; T32-T34 VanDerWaalsContact C-N 3.32Å; T32-T34 PolarHBondContact O-N 3.45Å; T32-G35 PolarHBondContact O-N 3.08Å; T32-G35 VanDerWaalsContact O-N 3.12Å; T32-G35 PolarHBondContact OG1-N 3.5Å; T32-R36 WeakPolarHBondContact O-CG 3.37Å; T32-R36 PolarHBondContact O-N 2.83Å
33D87.8Confident88.6Confident139 Ų13972.2 Ų72.274%0.74341%0.407SS*.Hα-helixtrans-58.4-43.7178.9-63.8-36.5000112G35 R36 E37D33-G35 VanDerWaalsContact C-N 3.33Å; D33-G35 PolarHBondContact O-N 3.23Å; D33-R36 PolarHBondContact O-N 2.93Å; D33-E37 PolarHBondContact O-N 3.34Å
34T88.4Confident88.6Confident97 Ų9773.8 Ų73.860%0.59541%0.406SS*.Hα-helixtrans-61.4-41.3176.2-48.60000111.9T32 E37 I38T32-T34 VanDerWaalsContact C-N 3.32Å; T32-T34 PolarHBondContact O-N 3.45Å; T34-E37 PolarHBondContact O-N 2.98Å; T34-I38 HydrophobicContact CG2-CD1 4.38Å; T34-I38 WeakPolarHBondContact O-CG1 3.37Å; T34-I38 PolarHBondContact O-N 3.1Å; T34-I38 VanDerWaalsContact O-N 3.08Å
35G88.7Confident88.5Confident2 Ų278.3 Ų78.32%0.02141%0.414CS..Hα-helixtrans-66.8-40.9177.200000112.6L29 T32 D33 E37 I38 L39L29-G35 CarbonylContact O-C 3.5Å; L29-G35 WeakPolarHBondContact O-CA 3.37Å; T32-G35 PolarHBondContact O-N 3.08Å; T32-G35 VanDerWaalsContact O-N 3.12Å; T32-G35 PolarHBondContact OG1-N 3.5Å; D33-G35 VanDerWaalsContact C-N 3.33Å; D33-G35 PolarHBondContact O-N 3.23Å; G35-E37 VanDerWaalsContact C-N 3.31Å; G35-E37 PolarHBondContact O-N 2.87Å; G35-I38 PolarHBondContact O-N 3.25Å; G35-L39 WeakPolarHBondContact O-CB 3.48Å; G35-L39 VanDerWaalsContact O-CG 3.32Å; G35-L39 WeakPolarHBondContact O-CG 3.22Å; G35-L39 PolarHBondContact O-N 3.39Å
36R89.8Confident88.3Confident60 Ų6081.3 Ų81.323%0.22643%0.427CS..Hα-helixtrans-62.4-39.6175.1-69.2-177.8-176.7-144.1-7.9111.6L29 V30 T32 D33 L39 S40 F49 D53L29-R36 PolarHBondContact O-N 3.17Å; V30-R36 WeakPolarHBondContact O-CG 3.23Å; V30-R36 VanDerWaalsContact O-CZ 3.31Å; V30-R36 PolarHBondContact O-NE 2.8Å; V30-R36 PolarHBondContact O-NH2 3.09Å; T32-R36 WeakPolarHBondContact O-CG 3.37Å; T32-R36 PolarHBondContact O-N 2.83Å; D33-R36 PolarHBondContact O-N 2.93Å; R36-L39 PolarHBondContact O-N 3.31Å; R36-S40 WeakPolarHBondContact O-CB 3.47Å; R36-S40 PolarHBondContact O-N 2.91Å; R36-S40 PolarHBondContact O-OG 2.76Å; R36-F49 HydrophobicContact CB-CE1 3.92Å; R36-F49 HydrophobicContact CB-CZ 4.1Å; R36-F49 HydrophobicContact CG-CD1 3.94Å; R36-F49 HydrophobicContact CG-CE1 3.66Å; R36-F49 HydrophobicContact CG-CZ 4.34Å; R36-F49 WeakPolarHBondContact O-CZ 3.24Å; R36-D53 IonicContact CZ-OD1 3.22Å; R36-D53 VanDerWaalsContact CZ-OD1 3.22Å; R36-D53 IonicContact NH1-OD1 2.93Å; R36-D53 PolarHBondContact NH1-OD1 2.94Å; R36-D53 IonicContact NH1-OD2 3.21Å; R36-D53 PolarHBondContact NH1-OD2 2.86Å; R36-D53 IonicContact NH2-OD1 2.65Å; R36-D53 PolarHBondContact NH2-OD1 2.89Å
37E88.9Confident88.2Confident118 Ų11882.5 Ų82.555%0.55143%0.426SS*.Hα-helixtrans-61.3-49.2174.8-172.1177.8-174.600111D33 T34 G35 L39 S40 H41D33-E37 PolarHBondContact O-N 3.34Å; T34-E37 PolarHBondContact O-N 2.98Å; G35-E37 VanDerWaalsContact C-N 3.31Å; G35-E37 PolarHBondContact O-N 2.87Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-L39 PolarHBondContact O-N 2.93Å; E37-S40 PolarHBondContact O-N 3.42Å; E37-S40 PolarHBondContact O-OG 3.26Å; E37-H41 PolarHBondContact O-N 3.17Å; E37-H41 PolarHBondContact O-ND1 2.7Å
38I89.5Confident88.3Confident83 Ų8380.5 Ų80.543%0.42641%0.414SS..Hα-helixtrans-58.1-48176.2-67.4165000110.9T34 G35 S40 H41 I42T34-I38 HydrophobicContact CG2-CD1 4.38Å; T34-I38 WeakPolarHBondContact O-CG1 3.37Å; T34-I38 PolarHBondContact O-N 3.1Å; T34-I38 VanDerWaalsContact O-N 3.08Å; G35-I38 PolarHBondContact O-N 3.25Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 3.33Å; I38-H41 PolarHBondContact O-N 3.19Å; I38-I42 HydrophobicContact CG2-CD1 3.87Å; I38-I42 WeakPolarHBondContact O-CG1 3.37Å; I38-I42 PolarHBondContact O-N 3.45Å
39L89.6Confident88.3Confident15 Ų1575.2 Ų75.28%0.07939%0.391CS..Hα-helixtrans-61.8-41.7179.8-75.7174.8000111.4L29 V30 G35 R36 E37 H41 I42 G43 F44 F49L29-L39 HydrophobicContact CB-CD1 3.95Å; L29-L39 HydrophobicContact CB-CG 4.36Å; V30-L39 HydrophobicContact CG2-CD1 3.62Å; G35-L39 WeakPolarHBondContact O-CB 3.48Å; G35-L39 VanDerWaalsContact O-CG 3.32Å; G35-L39 WeakPolarHBondContact O-CG 3.22Å; G35-L39 PolarHBondContact O-N 3.39Å; R36-L39 PolarHBondContact O-N 3.31Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-L39 PolarHBondContact O-N 2.93Å; L39-H41 VanDerWaalsContact C-N 3.27Å; L39-H41 PolarHBondContact O-N 3.3Å; L39-I42 CarbonylContact O-C 3.58Å; L39-I42 PolarHBondContact O-N 3.3Å; L39-G43 PolarHBondContact O-N 3.26Å; L39-G43 VanDerWaalsContact O-N 3.17Å; L39-F44 HydrophobicContact CB-CB 3.84Å; L39-F44 HydrophobicContact CB-CD1 4.49Å; L39-F44 HydrophobicContact CB-CD2 4.48Å; L39-F44 HydrophobicContact CB-CG 4.07Å; L39-F44 HydrophobicContact CD1-CD1 4.45Å; L39-F44 HydrophobicContact CD2-CD2 4.05Å; L39-F44 HydrophobicContact CD2-CE2 4.24Å; L39-F44 HydrophobicContact CD2-CG 4.42Å; L39-F44 VanDerWaalsContact O-CB 3.29Å; L39-F44 WeakPolarHBondContact O-CB 3.48Å; L39-F44 PolarHBondContact O-N 3.15Å; L39-F49 HydrophobicContact CB-CE1 4.11Å; L39-F49 HydrophobicContact CB-CZ 3.69Å; L39-F49 HydrophobicContact CD1-CE1 3.93Å; L39-F49 HydrophobicContact CD1-CZ 4.37Å
40S88.4Confident88.2Confident60 Ų6073.9 Ų73.942%0.4239%0.385SS..Hα-helixtrans-60.2-35.8177.174.30000112.6R36 E37 I38 G43R36-S40 WeakPolarHBondContact O-CB 3.47Å; R36-S40 PolarHBondContact O-N 2.91Å; R36-S40 PolarHBondContact O-OG 2.76Å; E37-S40 PolarHBondContact O-N 3.42Å; E37-S40 PolarHBondContact O-OG 3.26Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 3.33Å; S40-G43 PolarHBondContact O-N 2.94Å
41H89.5Confident88.3Confident151 Ų15178.6 Ų78.670%0.69940%0.402SS*.Hα-helixtrans-71-28.7175-73.286.9000113.1E37 I38 L39 G43E37-H41 PolarHBondContact O-N 3.17Å; E37-H41 PolarHBondContact O-ND1 2.7Å; I38-H41 PolarHBondContact O-N 3.19Å; L39-H41 VanDerWaalsContact C-N 3.27Å; L39-H41 PolarHBondContact O-N 3.3Å; H41-G43 PolarHBondContact O-N 3.42Å
42I88.3Confident88.5Confident131 Ų13177 Ų7767%0.67239%0.391SS*.Hα-helixtrans-80.9-5175.5-62.4169.4000111.5I38 L39I38-I42 HydrophobicContact CG2-CD1 3.87Å; I38-I42 WeakPolarHBondContact O-CG1 3.37Å; I38-I42 PolarHBondContact O-N 3.45Å; L39-I42 CarbonylContact O-C 3.58Å; L39-I42 PolarHBondContact O-N 3.3Å
43G88.9Confident88.5Confident51 Ų5177.3 Ų77.353%0.52639%0.391SS..THydrogen-bonded Turntrans100.215.3175.800000114.8L39 S40 H41 K45L39-G43 PolarHBondContact O-N 3.26Å; L39-G43 VanDerWaalsContact O-N 3.17Å; S40-G43 PolarHBondContact O-N 2.94Å; H41-G43 PolarHBondContact O-N 3.42Å; G43-K45 PolarHBondContact O-N 2.99Å
44F88.2Confident88.6Confident63 Ų6371.1 Ų71.128%0.27636%0.358SS..  trans-62.8124170.8-122.5-114.4000110L39 Q48 F49L39-F44 HydrophobicContact CB-CB 3.84Å; L39-F44 HydrophobicContact CB-CD1 4.49Å; L39-F44 HydrophobicContact CB-CD2 4.48Å; L39-F44 HydrophobicContact CB-CG 4.07Å; L39-F44 HydrophobicContact CD1-CD1 4.45Å; L39-F44 HydrophobicContact CD2-CD2 4.05Å; L39-F44 HydrophobicContact CD2-CE2 4.24Å; L39-F44 HydrophobicContact CD2-CG 4.42Å; L39-F44 VanDerWaalsContact O-CB 3.29Å; L39-F44 WeakPolarHBondContact O-CB 3.48Å; L39-F44 PolarHBondContact O-N 3.15Å; F44-Q48 VanDerWaalsContact CA-OE1 3.29Å; F44-Q48 HydrophobicContact CD1-CB 3.63Å; F44-Q48 HydrophobicContact CD1-CG 4.47Å; F44-Q48 HydrophobicContact CE1-CB 3.6Å; F44-Q48 HydrophobicContact CE1-CG 4.47Å; F44-Q48 HydrophobicContact CG-CB 4.49Å; F44-Q48 HydrophobicContact CZ-CB 4.44Å; F44-F49 HydrophobicContact CB-CE2 3.99Å; F44-F49 HydrophobicContact CB-CZ 3.86Å; F44-F49 HydrophobicContact CD1-CD1 4.3Å; F44-F49 AromaticContact CD1-CE1 3.89Å; F44-F49 HydrophobicContact CD1-CE1 3.89Å; F44-F49 HydrophobicContact CD1-CE2 4.25Å; F44-F49 AromaticContact CD1-CZ 3.88Å; F44-F49 HydrophobicContact CD1-CZ 3.88Å; F44-F49 HydrophobicContact CG-CZ 4.28Å
45K88.3Confident88.8Confident135 Ų13569.6 Ų69.659%0.58734%0.342SS*.  trans-86.2152.4-176.1-50.6-156.1-155170.90110.7G43 Y47 Q48G43-K45 PolarHBondContact O-N 2.99Å; K45-Y47 HydrophobicContact CB-CD1 3.48Å; K45-Y47 VanDerWaalsContact CB-CD1 3.48Å; K45-Y47 HydrophobicContact CB-CE1 3.48Å; K45-Y47 VanDerWaalsContact CB-CE1 3.48Å; K45-Y47 HydrophobicContact CD-CD1 4.26Å; K45-Y47 HydrophobicContact CD-CE1 3.75Å; K45-Y47 HydrophobicContact CG-CD1 4.32Å; K45-Y47 HydrophobicContact CG-CE1 3.87Å; K45-Y47 PolarHBondContact O-N 3.21Å; K45-Q48 WeakPolarHBondContact O-CB 3.47Å; K45-Q48 PolarHBondContact O-N 3.31Å
46N86.6Confident88.9Confident129 Ų12973.9 Ų73.969%0.6936%0.364SS*.Hα-helixtrans-53.5-30.5179.3-68.8-18.3000114.6Q48 A50N46-Q48 VanDerWaalsContact C-N 3.31Å; N46-Q48 PolarHBondContact O-N 2.8Å; N46-A50 WeakPolarHBondContact O-CB 3.41Å; N46-A50 PolarHBondContact O-N 3.14Å; N46-A50 VanDerWaalsContact O-N 3.11Å
47Y85.7Confident89Confident123 Ų12376.9 Ų76.948%0.48238%0.38SS..Hα-helixtrans-70.5-25.8177.382.3-92.9000112.9K45 A50 R51K45-Y47 HydrophobicContact CB-CD1 3.48Å; K45-Y47 VanDerWaalsContact CB-CD1 3.48Å; K45-Y47 HydrophobicContact CB-CE1 3.48Å; K45-Y47 VanDerWaalsContact CB-CE1 3.48Å; K45-Y47 HydrophobicContact CD-CD1 4.26Å; K45-Y47 HydrophobicContact CD-CE1 3.75Å; K45-Y47 HydrophobicContact CG-CD1 4.32Å; K45-Y47 HydrophobicContact CG-CE1 3.87Å; K45-Y47 PolarHBondContact O-N 3.21Å; Y47-A50 WeakPolarHBondContact O-CB 3.39Å; Y47-A50 PolarHBondContact O-N 3.31Å; Y47-R51 PolarHBondContact O-N 2.88Å; Y47-R51 VanDerWaalsContact O-N 3.14Å
48Q88.2Confident89.1Confident54 Ų5472.3 Ų72.325%0.25236%0.361SS..Hα-helixtrans-74-43.2178.5-63.4174.7-6700110.5F44 K45 N46 A50 R51 I52F44-Q48 VanDerWaalsContact CA-OE1 3.29Å; F44-Q48 HydrophobicContact CD1-CB 3.63Å; F44-Q48 HydrophobicContact CD1-CG 4.47Å; F44-Q48 HydrophobicContact CE1-CB 3.6Å; F44-Q48 HydrophobicContact CE1-CG 4.47Å; F44-Q48 HydrophobicContact CG-CB 4.49Å; F44-Q48 HydrophobicContact CZ-CB 4.44Å; K45-Q48 WeakPolarHBondContact O-CB 3.47Å; K45-Q48 PolarHBondContact O-N 3.31Å; N46-Q48 VanDerWaalsContact C-N 3.31Å; N46-Q48 PolarHBondContact O-N 2.8Å; Q48-A50 VanDerWaalsContact C-N 3.3Å; Q48-A50 PolarHBondContact O-N 3.22Å; Q48-R51 PolarHBondContact O-N 3.38Å; Q48-I52 PolarHBondContact O-N 2.83Å
49F88.3Confident89.2Confident17 Ų1773.5 Ų73.58%0.07536%0.363CS..Hα-helixtrans-59.4-43.5169.9-64.9-60.8000111.2V30 R36 L39 F44 R51 I52 D53V30-F49 HydrophobicContact CG1-CD1 4.09Å; R36-F49 HydrophobicContact CB-CE1 3.92Å; R36-F49 HydrophobicContact CB-CZ 4.1Å; R36-F49 HydrophobicContact CG-CD1 3.94Å; R36-F49 HydrophobicContact CG-CE1 3.66Å; R36-F49 HydrophobicContact CG-CZ 4.34Å; R36-F49 WeakPolarHBondContact O-CZ 3.24Å; L39-F49 HydrophobicContact CB-CE1 4.11Å; L39-F49 HydrophobicContact CB-CZ 3.69Å; L39-F49 HydrophobicContact CD1-CE1 3.93Å; L39-F49 HydrophobicContact CD1-CZ 4.37Å; F44-F49 HydrophobicContact CB-CE2 3.99Å; F44-F49 HydrophobicContact CB-CZ 3.86Å; F44-F49 HydrophobicContact CD1-CD1 4.3Å; F44-F49 AromaticContact CD1-CE1 3.89Å; F44-F49 HydrophobicContact CD1-CE1 3.89Å; F44-F49 HydrophobicContact CD1-CE2 4.25Å; F44-F49 AromaticContact CD1-CZ 3.88Å; F44-F49 HydrophobicContact CD1-CZ 3.88Å; F44-F49 HydrophobicContact CG-CZ 4.28Å; F49-R51 VanDerWaalsContact C-N 3.29Å; F49-R51 PolarHBondContact O-N 2.7Å; F49-I52 PolarHBondContact O-N 3.47Å; F49-D53 VanDerWaalsContact O-CG 3.32Å; F49-D53 PolarHBondContact O-N 3.31Å
50A87.9Confident89.3Confident9 Ų976.4 Ų76.47%0.07438%0.376CS..Hα-helixtrans-58.5-35.1177.300000114N46 Y47 Q48 I52 S54 K65N46-A50 WeakPolarHBondContact O-CB 3.41Å; N46-A50 PolarHBondContact O-N 3.14Å; N46-A50 VanDerWaalsContact O-N 3.11Å; Y47-A50 WeakPolarHBondContact O-CB 3.39Å; Y47-A50 PolarHBondContact O-N 3.31Å; Q48-A50 VanDerWaalsContact C-N 3.3Å; Q48-A50 PolarHBondContact O-N 3.22Å; A50-I52 VanDerWaalsContact C-N 3.3Å; A50-S54 VanDerWaalsContact O-CB 3.29Å; A50-S54 WeakPolarHBondContact O-CB 3.28Å; A50-S54 PolarHBondContact O-N 3.29Å; A50-S54 PolarHBondContact O-OG 2.79Å; A50-K65 HydrophobicContact CB-CB 4.2Å; A50-K65 HydrophobicContact CB-CD 3.64Å; A50-K65 HydrophobicContact CB-CG 4.05Å
51R88.1Confident89.4Confident110 Ų11076.1 Ų76.142%0.41537%0.37SS..Hα-helixtrans-66.7-33.6174.5-76.1-173.2178.4-1615.8112.4Y47 Q48 F49 S54 W55 L168 T169Y47-R51 PolarHBondContact O-N 2.88Å; Y47-R51 VanDerWaalsContact O-N 3.14Å; Q48-R51 PolarHBondContact O-N 3.38Å; F49-R51 VanDerWaalsContact C-N 3.29Å; F49-R51 PolarHBondContact O-N 2.7Å; R51-S54 WeakPolarHBondContact CA-OG 3.48Å; R51-S54 PolarHBondContact O-OG 3.33Å; R51-W55 WeakPolarHBondContact O-CB 3.47Å; R51-W55 PolarHBondContact O-N 3.19Å; R51-L168 WeakPolarHBondContact CD-O 3.26Å; R51-L168 PolarHBondContact NH1-O 3.12Å; R51-T169 PolarHBondContact NH1-O 3.49Å; R51-T169 VanDerWaalsContact NH1-O 3.1Å
52I89Confident89.3Confident34 Ų3471.4 Ų71.417%0.17435%0.353CS..Hα-helixtrans-81.8-39.5-179.7-63.1173.1000110.2V30 Q48 F49 A50 S54 W55 L56V30-I52 HydrophobicContact CB-CD1 4Å; V30-I52 HydrophobicContact CB-CG2 4.23Å; V30-I52 HydrophobicContact CG1-CB 3.69Å; V30-I52 HydrophobicContact CG1-CD1 3.48Å; V30-I52 VanDerWaalsContact CG1-CD1 3.48Å; V30-I52 HydrophobicContact CG1-CG1 4.11Å; V30-I52 HydrophobicContact CG1-CG2 3.39Å; V30-I52 HydrophobicContact CG2-CD1 3.72Å; Q48-I52 PolarHBondContact O-N 2.83Å; F49-I52 PolarHBondContact O-N 3.47Å; A50-I52 VanDerWaalsContact C-N 3.3Å; I52-S54 PolarHBondContact O-N 3.23Å; I52-W55 HydrophobicContact CG2-CE3 4.24Å; I52-W55 PolarHBondContact O-N 2.94Å; I52-L56 HydrophobicContact CG2-CD1 4.08Å; I52-L56 HydrophobicContact CG2-CG 4.44Å; I52-L56 WeakPolarHBondContact O-CG 3.48Å; I52-L56 PolarHBondContact O-N 3.49Å
53D89.7Confident89.3Confident43 Ų4374 Ų7423%0.2336%0.362CS..Hα-helixtrans-60-45171.4-66.5-29.3000111.5R36 F49 L56 E57R36-D53 IonicContact CZ-OD1 3.22Å; R36-D53 VanDerWaalsContact CZ-OD1 3.22Å; R36-D53 IonicContact NH1-OD1 2.93Å; R36-D53 PolarHBondContact NH1-OD1 2.94Å; R36-D53 IonicContact NH1-OD2 3.21Å; R36-D53 PolarHBondContact NH1-OD2 2.86Å; R36-D53 IonicContact NH2-OD1 2.65Å; R36-D53 PolarHBondContact NH2-OD1 2.89Å; F49-D53 VanDerWaalsContact O-CG 3.32Å; F49-D53 PolarHBondContact O-N 3.31Å; D53-L56 PolarHBondContact O-N 3.17Å; D53-E57 PolarHBondContact O-N 3.04Å
54S90.8Very high89.4Confident8 Ų873.3 Ų73.36%0.05636%0.355CS..Hα-helixtrans-65.9-36.3175.152.90000112.6A50 R51 I52 E57 P58 S66 L69A50-S54 VanDerWaalsContact O-CB 3.29Å; A50-S54 WeakPolarHBondContact O-CB 3.28Å; A50-S54 PolarHBondContact O-N 3.29Å; A50-S54 PolarHBondContact O-OG 2.79Å; R51-S54 WeakPolarHBondContact CA-OG 3.48Å; R51-S54 PolarHBondContact O-OG 3.33Å; I52-S54 PolarHBondContact O-N 3.23Å; S54-E57 CarbonylContact O-C 2.9Å; S54-E57 VanDerWaalsContact O-C 3.31Å; S54-P58 WeakPolarHBondContact O-CA 3.34Å; S54-P58 VanDerWaalsContact O-N 3.09Å; S54-S66 VanDerWaalsContact CB-CB 3.49Å; S54-L69 VanDerWaalsContact O-CD2 3.3Å; S54-L69 WeakPolarHBondContact O-CD2 3.1Å
55W92.1Very high89.3Confident66 Ų6676.8 Ų76.825%0.2537%0.37CS..Hα-helixtrans-66.1-42.8174.3169.763.6000113R51 I52 G164 L165 L166 P167R51-W55 WeakPolarHBondContact O-CB 3.47Å; R51-W55 PolarHBondContact O-N 3.19Å; I52-W55 HydrophobicContact CG2-CE3 4.24Å; I52-W55 PolarHBondContact O-N 2.94Å; W55-G164 PolarHBondContact NE1-O 3.26Å; W55-L165 PolarHBondContact NE1-O 3.04Å; W55-L166 VanDerWaalsContact CD1-O 3.3Å; W55-P167 HydrophobicContact CB-CB 4Å; W55-P167 HydrophobicContact CD2-CB 4.46Å; W55-P167 HydrophobicContact CG-CB 4.05Å
56L91.3Very high89.4Confident91 Ų9170.3 Ų70.348%0.47634%0.342SS..Hα-helixtrans-68.7-40.2179.4-70.4169.8000112.4T31 I52 D53T31-L56 HydrophobicContact CG2-CD1 4.01Å; I52-L56 HydrophobicContact CG2-CD1 4.08Å; I52-L56 HydrophobicContact CG2-CG 4.44Å; I52-L56 WeakPolarHBondContact O-CG 3.48Å; I52-L56 PolarHBondContact O-N 3.49Å; D53-L56 PolarHBondContact O-N 3.17Å
57E92.3Very high89.7Confident123 Ų12368 Ų6858%0.57532%0.324SS*.  trans-132.983.4177.7-164.1177.2-179.200110.7D53 S54 F59 H60D53-E57 PolarHBondContact O-N 3.04Å; S54-E57 CarbonylContact O-C 2.9Å; S54-E57 VanDerWaalsContact O-C 3.31Å; E57-F59 PolarHBondContact O-N 2.88Å; E57-H60 HydrophobicContact CB-CB 4.08Å; E57-H60 HydrophobicContact CG-CB 3.8Å; E57-H60 PolarHBondContact O-N 3.06Å; E57-H60 PolarHBondContact O-ND1 3.42Å
58P90.4Very high90Very high23 Ų2364.9 Ų64.915%0.14931%0.314CS..THydrogen-bonded Turntrans-60.1-16.8-173.6-27.335.8000116S54 S66 L69 A70 L73S54-P58 WeakPolarHBondContact O-CA 3.34Å; S54-P58 VanDerWaalsContact O-N 3.09Å; P58-S66 WeakPolarHBondContact O-CB 3.35Å; P58-S66 PolarHBondContact O-OG 3.3Å; P58-S66 VanDerWaalsContact O-OG 3.13Å; P58-L69 HydrophobicContact CB-CD2 3.95Å; P58-L69 HydrophobicContact CB-CG 4.13Å; P58-L69 HydrophobicContact CG-CD2 3.88Å; P58-L69 HydrophobicContact CG-CG 4.45Å; P58-A70 WeakPolarHBondContact O-CB 3.28Å; P58-L73 HydrophobicContact CB-CD1 3.58Å; P58-L73 HydrophobicContact CG-CD1 3.82Å
59F92.6Very high90.2Very high108 Ų10862.4 Ų62.447%0.47430%0.303SS..THydrogen-bonded Turntrans-114.511.8-175.9-57.7-73.2000113.7E57 P62 A70 L73 M74E57-F59 PolarHBondContact O-N 2.88Å; F59-P62 WeakPolarHBondContact O-CD 3.32Å; F59-A70 HydrophobicContact CD1-CB 4.07Å; F59-A70 HydrophobicContact CE1-CB 4.16Å; F59-L73 HydrophobicContact CE2-CD1 4.33Å; F59-L73 HydrophobicContact CZ-CB 4.16Å; F59-L73 HydrophobicContact CZ-CD1 4.21Å; F59-M74 HydrophobicContact CD1-CE 3.85Å; F59-M74 HydrophobicContact CE1-CE 3.6Å; F59-M74 HydrophobicContact CE1-CG 4.16Å
60H91.8Very high90.5Very high75 Ų7561.7 Ų61.735%0.34730%0.3SS..SBendtrans-69.3-33.2178.877.3-88.5000112.9E57E57-H60 HydrophobicContact CB-CB 4.08Å; E57-H60 HydrophobicContact CG-CB 3.8Å; E57-H60 PolarHBondContact O-N 3.06Å; E57-H60 PolarHBondContact O-ND1 3.42Å
61D90.5Very high90.8Very high55 Ų5564.2 Ų64.229%0.29431%0.307SS..SBendtrans-143.166.1-179.718017.8000110.3Q63 G64 K65 S66D61-Q63 PolarHBondContact O-N 2.93Å; D61-Q63 VanDerWaalsContact O-N 3.11Å; D61-G64 PolarHBondContact O-N 3.49Å; D61-G64 VanDerWaalsContact O-N 3.14Å; D61-G64 WeakPolarHBondContact OD1-CA 3.48Å; D61-G64 PolarHBondContact OD1-N 3.26Å; D61-G64 WeakPolarHBondContact OD2-CA 3.4Å; D61-K65 PolarHBondContact OD2-N 2.97Å; D61-S66 WeakPolarHBondContact CA-OG 3.29Å; D61-S66 PolarHBondContact N-OG 3.47Å; D61-S66 PolarHBondContact O-N 3.22Å; D61-S66 PolarHBondContact O-OG 3.16Å
62P86.4Confident91.1Very high51 Ų5159 Ų5933%0.33129%0.288SS..THydrogen-bonded Turntrans-72.7-4.4-169.330.3-34.9000112.6F59 Y67 A70F59-P62 WeakPolarHBondContact O-CD 3.32Å; P62-Y67 VanDerWaalsContact O-CD2 3.25Å; P62-Y67 WeakPolarHBondContact O-CD2 3.43Å; P62-A70 HydrophobicContact CB-CB 4Å
63Q88.4Confident91.4Very high185 Ų18559.3 Ų59.386%0.86429%0.29SS*.THydrogen-bonded Turntrans-107-13.7174.3-63.8-176.835.700112.9D61D61-Q63 PolarHBondContact O-N 2.93Å; D61-Q63 VanDerWaalsContact O-N 3.11Å
64G90.5Very high91.7Very high38 Ų3861.1 Ų61.139%0.39230%0.298SS..THydrogen-bonded Turntrans-115.9-113.9179.300000112.5D61 S66 Y67D61-G64 PolarHBondContact O-N 3.49Å; D61-G64 VanDerWaalsContact O-N 3.14Å; D61-G64 WeakPolarHBondContact OD1-CA 3.48Å; D61-G64 PolarHBondContact OD1-N 3.26Å; D61-G64 WeakPolarHBondContact OD2-CA 3.4Å; G64-S66 VanDerWaalsContact C-N 3.34Å; G64-S66 PolarHBondContact O-N 2.93Å; G64-Y67 WeakPolarHBondContact O-CB 3.28Å; G64-Y67 PolarHBondContact O-N 3.42Å
65K87.3Confident91.9Very high135 Ų13560.8 Ų60.859%0.58730%0.295SS*.THydrogen-bonded Turntrans-67.3-30.6-168.3-73.6168.5169.9-175.90114A50 D61A50-K65 HydrophobicContact CB-CB 4.2Å; A50-K65 HydrophobicContact CB-CD 3.64Å; A50-K65 HydrophobicContact CB-CG 4.05Å; D61-K65 PolarHBondContact OD2-N 2.97Å
66S90.7Very high92.1Very high0 Ų059.5 Ų59.50%029%0.293CS..THydrogen-bonded Turntrans-922.6178.269.70000113.6S54 P58 D61 G64 Q68 L69 A70S54-S66 VanDerWaalsContact CB-CB 3.49Å; P58-S66 WeakPolarHBondContact O-CB 3.35Å; P58-S66 PolarHBondContact O-OG 3.3Å; P58-S66 VanDerWaalsContact O-OG 3.13Å; D61-S66 WeakPolarHBondContact CA-OG 3.29Å; D61-S66 PolarHBondContact N-OG 3.47Å; D61-S66 PolarHBondContact O-N 3.22Å; D61-S66 PolarHBondContact O-OG 3.16Å; G64-S66 VanDerWaalsContact C-N 3.34Å; G64-S66 PolarHBondContact O-N 2.93Å; S66-Q68 VanDerWaalsContact C-N 3.34Å; S66-Q68 PolarHBondContact O-N 3.41Å; S66-L69 PolarHBondContact O-N 2.86Å; S66-A70 VanDerWaalsContact O-CB 3.31Å; S66-A70 WeakPolarHBondContact O-CB 3.19Å; S66-A70 PolarHBondContact O-N 2.83Å
67Y91.9Very high92.2Very high80 Ų8058 Ų5831%0.31430%0.299SS..Hα-helixtrans-48.6-49.3-175.2177.2-102.1000113.4P62 G64 R71 P94P62-Y67 VanDerWaalsContact O-CD2 3.25Å; P62-Y67 WeakPolarHBondContact O-CD2 3.43Å; G64-Y67 WeakPolarHBondContact O-CB 3.28Å; G64-Y67 PolarHBondContact O-N 3.42Å; Y67-R71 HydrophobicContact CD2-CG 4.11Å; Y67-R71 HydrophobicContact CE1-CG 4.43Å; Y67-R71 HydrophobicContact CE2-CG 3.86Å; Y67-R71 HydrophobicContact CG-CG 4.47Å; Y67-R71 WeakPolarHBondContact O-CB 3.36Å; Y67-R71 WeakPolarHBondContact O-CG 2.77Å; Y67-R71 PolarHBondContact O-N 3.4Å; Y67-P94 HydrophobicContact CD1-CG 3.91Å; Y67-P94 HydrophobicContact CE1-CG 3.4Å
68Q92.2Very high92.4Very high58 Ų5854.3 Ų54.327%0.27129%0.287SS..Hα-helixtrans-64.9-47.1-176-170.8172.3-1.800112.2S66 A72 M100 L168S66-Q68 VanDerWaalsContact C-N 3.34Å; S66-Q68 PolarHBondContact O-N 3.41Å; Q68-A72 WeakPolarHBondContact O-CB 3.38Å; Q68-A72 PolarHBondContact O-N 2.91Å; Q68-M100 HydrophobicContact CG-CG 4.42Å; Q68-M100 HydrophobicContact CG-SD 4.12Å; Q68-L168 HydrophobicContact CB-CD1 4.28Å; Q68-L168 HydrophobicContact CG-CD1 4.19Å
69L92.6Very high92.6Very high2 Ų253.4 Ų53.41%0.0128%0.282CS..Hα-helixtrans-68.7-42.9178.9-17461.6000111.8S54 P58 S66 R71 A72 L73 A161 L168S54-L69 VanDerWaalsContact O-CD2 3.3Å; S54-L69 WeakPolarHBondContact O-CD2 3.1Å; P58-L69 HydrophobicContact CB-CD2 3.95Å; P58-L69 HydrophobicContact CB-CG 4.13Å; P58-L69 HydrophobicContact CG-CD2 3.88Å; P58-L69 HydrophobicContact CG-CG 4.45Å; S66-L69 PolarHBondContact O-N 2.86Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.38Å; L69-A72 WeakPolarHBondContact O-CB 3.15Å; L69-A72 PolarHBondContact O-N 2.97Å; L69-L73 HydrophobicContact CD1-CG 4.45Å; L69-L73 HydrophobicContact CG-CD1 4.32Å; L69-L73 WeakPolarHBondContact O-CG 3.3Å; L69-L73 PolarHBondContact O-N 2.59Å; L69-A161 WeakPolarHBondContact CD1-O 3.15Å; L69-L168 HydrophobicContact CB-CD1 3.84Å; L69-L168 HydrophobicContact CD1-CD1 4.32Å; L69-L168 HydrophobicContact CD1-CD2 4.29Å; L69-L168 HydrophobicContact CD1-CG 4.22Å
70A94.5Very high92.8Very high1 Ų150.4 Ų50.41%0.00828%0.281CS..Hα-helixtrans-56.8-46.4176.700000111.3P58 F59 P62 S66 L73 M74P58-A70 WeakPolarHBondContact O-CB 3.28Å; F59-A70 HydrophobicContact CD1-CB 4.07Å; F59-A70 HydrophobicContact CE1-CB 4.16Å; P62-A70 HydrophobicContact CB-CB 4Å; S66-A70 VanDerWaalsContact O-CB 3.31Å; S66-A70 WeakPolarHBondContact O-CB 3.19Å; S66-A70 PolarHBondContact O-N 2.83Å; A70-L73 PolarHBondContact O-N 3.39Å; A70-M74 WeakPolarHBondContact O-CB 3.32Å; A70-M74 VanDerWaalsContact O-CG 3.27Å; A70-M74 WeakPolarHBondContact O-CG 3.07Å; A70-M74 PolarHBondContact O-N 3.24Å
71R94.6Very high93Very high63 Ų6350.7 Ų50.724%0.23829%0.288CS..Hα-helixtrans-68.8-39178.9-65.5-68.8-73.5-175.7-5.6111.9Y67 L69 M74 A75 V91 Y92 V93Y67-R71 HydrophobicContact CD2-CG 4.11Å; Y67-R71 HydrophobicContact CE1-CG 4.43Å; Y67-R71 HydrophobicContact CE2-CG 3.86Å; Y67-R71 HydrophobicContact CG-CG 4.47Å; Y67-R71 WeakPolarHBondContact O-CB 3.36Å; Y67-R71 WeakPolarHBondContact O-CG 2.77Å; Y67-R71 PolarHBondContact O-N 3.4Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.38Å; R71-M74 PolarHBondContact O-N 2.92Å; R71-A75 VanDerWaalsContact O-CB 3.29Å; R71-A75 WeakPolarHBondContact O-CB 3.47Å; R71-A75 PolarHBondContact O-N 3.27Å; R71-V91 HydrophobicContact CB-CG1 4.28Å; R71-V91 VanDerWaalsContact CZ-CG1 3.41Å; R71-V91 WeakPolarHBondContact O-CG1 3.23Å; R71-Y92 PolarHBondContact NE-O 3.43Å; R71-Y92 PolarHBondContact NH2-O 2.85Å; R71-Y92 VanDerWaalsContact NH2-O 3.09Å; R71-V93 HydrophobicContact CB-CG2 4.27Å
72A94Very high93.3Very high0 Ų056.1 Ų56.10%031%0.309CS..Hα-helixtrans-56.9-49.8173.500000111.7Q68 L69 A75 I76 T103Q68-A72 WeakPolarHBondContact O-CB 3.38Å; Q68-A72 PolarHBondContact O-N 2.91Å; L69-A72 WeakPolarHBondContact O-CB 3.15Å; L69-A72 PolarHBondContact O-N 2.97Å; A72-A75 PolarHBondContact O-N 3.3Å; A72-I76 WeakPolarHBondContact O-CG1 3.43Å; A72-I76 PolarHBondContact O-N 3.3Å; A72-T103 HydrophobicContact CB-CG2 3.52Å
73L95.4Very high93.7Very high41 Ų4154.8 Ų54.822%0.21530%0.304CS..Hα-helixtrans-65-41.1178.5-67176.1000112.4P58 F59 L69 A70 G77P58-L73 HydrophobicContact CB-CD1 3.58Å; P58-L73 HydrophobicContact CG-CD1 3.82Å; F59-L73 HydrophobicContact CE2-CD1 4.33Å; F59-L73 HydrophobicContact CZ-CB 4.16Å; F59-L73 HydrophobicContact CZ-CD1 4.21Å; L69-L73 HydrophobicContact CD1-CG 4.45Å; L69-L73 HydrophobicContact CG-CD1 4.32Å; L69-L73 WeakPolarHBondContact O-CG 3.3Å; L69-L73 PolarHBondContact O-N 2.59Å; A70-L73 PolarHBondContact O-N 3.39Å; L73-G77 PolarHBondContact O-N 3.41Å
74M95.1Very high94Very high81 Ų8147.7 Ų47.740%0.39927%0.274SS..Hα-helixtrans-63.8-41174.9-72.4-179.4-163.800112.1F59 A70 R71 G77 S78 V91F59-M74 HydrophobicContact CD1-CE 3.85Å; F59-M74 HydrophobicContact CE1-CE 3.6Å; F59-M74 HydrophobicContact CE1-CG 4.16Å; A70-M74 WeakPolarHBondContact O-CB 3.32Å; A70-M74 VanDerWaalsContact O-CG 3.27Å; A70-M74 WeakPolarHBondContact O-CG 3.07Å; A70-M74 PolarHBondContact O-N 3.24Å; R71-M74 PolarHBondContact O-N 2.92Å; M74-G77 PolarHBondContact O-N 2.82Å; M74-S78 WeakPolarHBondContact O-CB 3.15Å; M74-S78 PolarHBondContact O-N 3.17Å; M74-V91 HydrophobicContact CB-CG1 3.98Å; M74-V91 HydrophobicContact CB-CG2 4.25Å
75A95.4Very high94.2Very high0 Ų047.4 Ų47.40%027%0.271CS..Hα-helixtrans-63.5-51.3179.200000111.2R71 A72 G77 S78 G79 V91 V93 E107R71-A75 VanDerWaalsContact O-CB 3.29Å; R71-A75 WeakPolarHBondContact O-CB 3.47Å; R71-A75 PolarHBondContact O-N 3.27Å; A72-A75 PolarHBondContact O-N 3.3Å; A75-G77 VanDerWaalsContact C-N 3.32Å; A75-G77 PolarHBondContact O-N 3.5Å; A75-S78 PolarHBondContact O-N 3.1Å; A75-S78 VanDerWaalsContact O-N 3.15Å; A75-S78 PolarHBondContact O-OG 3.5Å; A75-G79 PolarHBondContact O-N 3.43Å; A75-V91 HydrophobicContact CB-CB 3.8Å; A75-V91 HydrophobicContact CB-CG1 4.04Å; A75-V93 HydrophobicContact CB-CG2 3.6Å; A75-E107 HydrophobicContact CB-CB 4.43Å
76I95.6Very high94.4Very high40 Ų4050.1 Ų50.121%0.20528%0.279CS..Hα-helixtrans-60-44.4175.9-65.6175.3000110.4A72 S78 G79 F102 T103 N162 I163A72-I76 WeakPolarHBondContact O-CG1 3.43Å; A72-I76 PolarHBondContact O-N 3.3Å; I76-S78 VanDerWaalsContact C-N 3.27Å; I76-S78 PolarHBondContact O-N 3.14Å; I76-G79 PolarHBondContact O-N 3.31Å; I76-F102 HydrophobicContact CD1-CD1 4.38Å; I76-T103 HydrophobicContact CD1-CG2 4.2Å; I76-T103 HydrophobicContact CG1-CG2 4.45Å; I76-N162 WeakPolarHBondContact CD1-O 3.36Å; I76-I163 HydrophobicContact CD1-CG2 4.02Å
77G95Very high94.3Very high58 Ų5856.3 Ų56.360%0.59831%0.312SS*.Hα-helixtrans-60.3-34.6177.200000113.4L73 M74 A75 G79 G80L73-G77 PolarHBondContact O-N 3.41Å; M74-G77 PolarHBondContact O-N 2.82Å; A75-G77 VanDerWaalsContact C-N 3.32Å; A75-G77 PolarHBondContact O-N 3.5Å; G77-G79 VanDerWaalsContact C-N 3.3Å; G77-G79 PolarHBondContact O-N 3.43Å; G77-G80 PolarHBondContact O-N 2.95Å
78S95.3Very high94.2Very high46 Ų4655.2 Ų55.232%0.32231%0.314SS..Hα-helixtrans-71.1-21.4178.9800000114.1M74 A75 I76M74-S78 WeakPolarHBondContact O-CB 3.15Å; M74-S78 PolarHBondContact O-N 3.17Å; A75-S78 PolarHBondContact O-N 3.1Å; A75-S78 VanDerWaalsContact O-N 3.15Å; A75-S78 PolarHBondContact O-OG 3.5Å; I76-S78 VanDerWaalsContact C-N 3.27Å; I76-S78 PolarHBondContact O-N 3.14Å
79G95.5Very high94Very high5 Ų554.6 Ų54.65%0.05232%0.316CS..Hα-helixtrans-72-2617700000114.1A75 I76 G77 G83 E107A75-G79 PolarHBondContact O-N 3.43Å; I76-G79 PolarHBondContact O-N 3.31Å; G77-G79 VanDerWaalsContact C-N 3.3Å; G77-G79 PolarHBondContact O-N 3.43Å; G79-G83 CarbonylContact O-C 3.57Å; G79-G83 WeakPolarHBondContact O-CA 3.48Å; G79-G83 PolarHBondContact O-N 2.88Å; G79-E107 VanDerWaalsContact CA-O 3.31Å; G79-E107 WeakPolarHBondContact CA-O 3.48Å
80G95.5Very high93.9Very high44 Ų4459.5 Ų59.545%0.45434%0.342SS..THydrogen-bonded Turntrans54.5-141.2-175.700000112.6G77 G110 F111G77-G80 PolarHBondContact O-N 2.95Å; G80-G110 WeakPolarHBondContact O-CA 3.27Å; G80-F111 PolarHBondContact O-N 3.12Å
81V96.8Very high93.8Very high82 Ų8260.1 Ų60.150%0.49735%0.346SS..THydrogen-bonded Turntrans-80.1-40.9-177.3-1800000112.5F111 I112V81-F111 PolarHBondContact O-N 2.96Å; V81-I112 HydrophobicContact CG1-CD1 4.15Å; V81-I112 HydrophobicContact CG1-CG1 4.25Å; V81-I112 WeakPolarHBondContact O-CG1 3.49Å; V81-I112 PolarHBondContact O-N 3.32Å
82F95.9Very high93.6Very high169 Ų16963.7 Ų63.774%0.74136%0.36SS*.THydrogen-bonded Turntrans-104.4-11.3-169.2-65.9-74.9000114.7F109 I112F82-F109 CarbonylContact C-O 3.57Å; F82-F109 CarbonylContact O-C 3.52Å; F82-I112 HydrophobicContact CD1-CD1 3.73Å; F82-I112 HydrophobicContact CE1-CD1 3.74Å
83G95.9Very high93.5Very high22 Ų2263.8 Ų63.823%0.22736%0.36CS..  trans88.4168.5-174.600000113.6G79 E107 N108G79-G83 CarbonylContact O-C 3.57Å; G79-G83 WeakPolarHBondContact O-CA 3.48Å; G79-G83 PolarHBondContact O-N 2.88Å; G83-E107 CarbonylContact C-O 3.31Å; G83-E107 VanDerWaalsContact CA-O 3.32Å; G83-E107 WeakPolarHBondContact CA-O 3.47Å; G83-N108 WeakPolarHBondContact CA-O 3.49Å
84T95.5Very high93.2Very high36 Ų3663 Ų6322%0.22136%0.358CS..SBendtrans-83.2-13.317755.90000113.1V88 N90 E107 N108T84-V88 PolarHBondContact OG1-O 3.05Å; T84-N90 WeakPolarHBondContact CG2-ND2 3.47Å; T84-E107 HydrophobicContact CG2-CG 4.13Å; T84-E107 PolarHBondContact N-O 3.13Å; T84-E107 PolarHBondContact OG1-O 2.69Å; T84-E107 VanDerWaalsContact OG1-O 3.05Å; T84-N108 PolarHBondContact N-O 3.29Å
85G93.4Very high92.8Very high32 Ų3262.7 Ų62.733%0.3336%0.361SS..  trans106.9156.8-173.800000112.4N87 V88 N108G85-N87 PolarHBondContact O-N 2.9Å; G85-V88 WeakPolarHBondContact O-CB 3.32Å; G85-V88 PolarHBondContact O-N 3.43Å; G85-N108 PolarHBondContact N-O 3.01Å; G85-N108 VanDerWaalsContact N-O 3.12Å; G85-N108 PolarHBondContact O-OD1 3Å
86Y92.5Very high92.6Very high193 Ų19365.8 Ų65.876%0.75737%0.372SS*.THydrogen-bonded Turntrans-62.7129.9-175.9179.3-105000112.4V88 F109Y86-V88 PolarHBondContact O-N 2.97Å; Y86-F109 AromaticContact CD2-CZ 3.99Å; Y86-F109 HydrophobicContact CD2-CZ 3.99Å
87N88.6Confident92.2Very high129 Ų12968.1 Ų68.169%0.6938%0.382SS*.THydrogen-bonded Turntrans62.626-178.6-158.627.1000113.8G85 N108G85-N87 PolarHBondContact O-N 2.9Å; N87-N108 WeakPolarHBondContact CA-OD1 3.38Å; N87-N108 PolarHBondContact N-OD1 3.33Å
88V89.5Confident92Very high58 Ų5867 Ų6735%0.35237%0.365SS..  trans-103.7107.4173.5-178.90000108.5T84 G85 Y86 N108T84-V88 PolarHBondContact OG1-O 3.05Å; G85-V88 WeakPolarHBondContact O-CB 3.32Å; G85-V88 PolarHBondContact O-N 3.43Å; Y86-V88 PolarHBondContact O-N 2.97Å; V88-N108 PolarHBondContact N-OD1 3.44Å; V88-N108 PolarHBondContact O-OD1 3.23Å
89S88.4Confident91.8Very high45 Ų4565.7 Ų65.732%0.31535%0.354SS..  trans-115.1103.3176.4-167.10000110.5V91 R96 E107S89-V91 PolarHBondContact OG-O 3.33Å; S89-R96 PolarHBondContact OG-NH1 3.46Å; S89-E107 WeakPolarHBondContact CA-OE1 3.34Å; S89-E107 WeakPolarHBondContact CA-OE2 3.31Å; S89-E107 WeakPolarHBondContact CB-OE2 3.36Å; S89-E107 PolarHBondContact OG-OE2 3.06Å
90N89.8Confident91.7Very high104 Ų10465.6 Ų65.656%0.55635%0.353SS*.SBendtrans-76.6-30.6174.9-67.8-33.3000110.9T84 E107T84-N90 WeakPolarHBondContact CG2-ND2 3.47Å; N90-E107 WeakPolarHBondContact CA-OE1 3.45Å; N90-E107 PolarHBondContact N-OE1 3Å
91V91.5Very high91.6Very high15 Ų1564.9 Ų64.99%0.09134%0.338CS..SBendtrans-123.4105.1-176.5-175.80000109.2R71 M74 A75 S89 V93 E107R71-V91 HydrophobicContact CB-CG1 4.28Å; R71-V91 VanDerWaalsContact CZ-CG1 3.41Å; R71-V91 WeakPolarHBondContact O-CG1 3.23Å; M74-V91 HydrophobicContact CB-CG1 3.98Å; M74-V91 HydrophobicContact CB-CG2 4.25Å; A75-V91 HydrophobicContact CB-CB 3.8Å; A75-V91 HydrophobicContact CB-CG1 4.04Å; S89-V91 PolarHBondContact OG-O 3.33Å; V91-V93 PolarHBondContact O-N 3.41Å; V91-E107 PolarHBondContact N-OE1 3.49Å
92Y91.8Very high91.6Very high137 Ų13761.3 Ų61.354%0.53732%0.316SS..  trans-58.1120.2168.6179.4-99.7000111.7R71 P94R71-Y92 PolarHBondContact NE-O 3.43Å; R71-Y92 PolarHBondContact NH2-O 2.85Å; R71-Y92 VanDerWaalsContact NH2-O 3.09Å; Y92-P94 HydrophobicContact CE1-CG 4.32Å
93V92Very high91.6Very high2 Ų253.3 Ų53.31%0.01228%0.281CS..  trans-112.9128.1173-176.90000108.5R71 A75 V91 R96 M100R71-V93 HydrophobicContact CB-CG2 4.27Å; A75-V93 HydrophobicContact CB-CG2 3.6Å; V91-V93 PolarHBondContact O-N 3.41Å; V93-R96 HydrophobicContact CB-CB 4.25Å; V93-R96 WeakPolarHBondContact O-CB 3.36Å; V93-M100 HydrophobicContact CG1-CB 3.97Å; V93-M100 HydrophobicContact CG1-CG 4.15Å
94P89.1Confident91.5Very high25 Ų2553.7 Ų53.716%0.16228%0.279CS..THydrogen-bonded Turntrans-61.5143.9174.2-23.835.1000112.3Y67 Y92 R96Y67-P94 HydrophobicContact CD1-CG 3.91Å; Y67-P94 HydrophobicContact CE1-CG 3.4Å; Y92-P94 HydrophobicContact CE1-CG 4.32Å; P94-R96 PolarHBondContact O-N 3.36Å; P94-R96 VanDerWaalsContact O-N 3.09Å
95V86.8Confident91.6Very high75 Ų7553 Ų5346%0.45527%0.273SS..THydrogen-bonded Turntrans57.928.2170.5-161.30000112.5E97 S98 D99V95-E97 PolarHBondContact O-N 2.94Å; V95-E97 VanDerWaalsContact O-N 3.12Å; V95-S98 PolarHBondContact O-N 2.9Å; V95-D99 WeakPolarHBondContact CG1-OD1 3.38Å
96R89.5Confident91.7Very high65 Ų6551.6 Ų51.625%0.24526%0.26CS..THydrogen-bonded Turntrans-62.1-16.6-179.172.2-178.4-174.6164.74.2114.3S89 V93 P94 M100 I101 V104S89-R96 PolarHBondContact OG-NH1 3.46Å; V93-R96 HydrophobicContact CB-CB 4.25Å; V93-R96 WeakPolarHBondContact O-CB 3.36Å; P94-R96 PolarHBondContact O-N 3.36Å; P94-R96 VanDerWaalsContact O-N 3.09Å; R96-M100 CarbonylContact O-C 3.56Å; R96-I101 WeakPolarHBondContact O-CA 3.49Å; R96-I101 VanDerWaalsContact O-CD1 3.26Å; R96-I101 WeakPolarHBondContact O-CD1 3.28Å; R96-I101 PolarHBondContact O-N 2.94Å; R96-V104 HydrophobicContact CB-CG2 3.61Å; R96-V104 HydrophobicContact CG-CG2 3.95Å
97E87.3Confident91.9Very high89 Ų8942.5 Ų42.542%0.41622%0.224SC..THydrogen-bonded Turntrans-79.5-25.6175.3-55.176.2-161.200112.4V95 Q178V95-E97 PolarHBondContact O-N 2.94Å; V95-E97 VanDerWaalsContact O-N 3.12Å; E97-Q178 HydrophobicContact CB-CB 4.19Å; E97-Q178 VanDerWaalsContact CB-OE1 3.28Å; E97-Q178 WeakPolarHBondContact O-CB 3.44Å; E97-Q178 PolarHBondContact O-N 3.42Å
98S90.6Very high92.2Very high34 Ų3436.9 Ų36.924%0.23819%0.194CC..THydrogen-bonded Turntrans-102.2-108.9-175.9-179.50000111V95 M100 I101 S177 Q178V95-S98 PolarHBondContact O-N 2.9Å; S98-M100 VanDerWaalsContact C-N 3.28Å; S98-M100 PolarHBondContact O-N 2.96Å; S98-I101 PolarHBondContact O-N 3.31Å; S98-S177 WeakPolarHBondContact O-CB 3.38Å; S98-S177 PolarHBondContact O-OG 2.99Å; S98-Q178 PolarHBondContact OG-O 3.39Å
99D91.3Very high92.6Very high18 Ų1838.9 Ų38.910%0.09620%0.198CC..THydrogen-bonded Turntrans-67.6-26.2-174.459.9-28.9000112.9V95 N158 N162 G170V95-D99 WeakPolarHBondContact CG1-OD1 3.38Å; D99-N158 PolarHBondContact O-ND2 3.49Å; D99-N162 PolarHBondContact O-ND2 3.16Å; D99-G170 WeakPolarHBondContact OD2-CA 3.3Å
100M94Very high93Very high4 Ų436.9 Ų36.92%0.0218%0.184CC..THydrogen-bonded Turntrans-93.314.9-178-57.9-69.196.600113.5Q68 V93 R96 S98 F102 T103 N162 L168Q68-M100 HydrophobicContact CG-CG 4.42Å; Q68-M100 HydrophobicContact CG-SD 4.12Å; V93-M100 HydrophobicContact CG1-CB 3.97Å; V93-M100 HydrophobicContact CG1-CG 4.15Å; R96-M100 CarbonylContact O-C 3.56Å; S98-M100 VanDerWaalsContact C-N 3.28Å; S98-M100 PolarHBondContact O-N 2.96Å; M100-F102 PolarHBondContact O-N 2.86Å; M100-T103 HydrophobicContact CB-CG2 4.24Å; M100-T103 WeakPolarHBondContact O-CB 3.45Å; M100-T103 WeakPolarHBondContact O-CG2 3.36Å; M100-T103 PolarHBondContact O-N 3.05Å; M100-T103 PolarHBondContact O-OG1 3.44Å; M100-N162 WeakPolarHBondContact CE-OD1 3.43Å; M100-N162 PolarHBondContact SD-OD1 2.9Å; M100-L168 HydrophobicContact CE-CD2 3.52Å; M100-L168 HydrophobicContact SD-CD2 3.98Å
101I94.4Very high93.3Very high28 Ų2839 Ų3914%0.14419%0.189CC..Hα-helixtrans-60.8-30.3-176.7-16461.6000113.9R96 S98 T103 V104 I105 L173 I176 S177R96-I101 WeakPolarHBondContact O-CA 3.49Å; R96-I101 VanDerWaalsContact O-CD1 3.26Å; R96-I101 WeakPolarHBondContact O-CD1 3.28Å; R96-I101 PolarHBondContact O-N 2.94Å; S98-I101 PolarHBondContact O-N 3.31Å; I101-T103 PolarHBondContact O-N 3.37Å; I101-V104 HydrophobicContact CD1-CB 4.31Å; I101-V104 HydrophobicContact CD1-CG2 4.29Å; I101-V104 WeakPolarHBondContact O-CB 3.34Å; I101-V104 PolarHBondContact O-N 3.27Å; I101-V104 VanDerWaalsContact O-N 3.12Å; I101-I105 PolarHBondContact O-N 3.33Å; I101-L173 HydrophobicContact CG2-CB 3.97Å; I101-L173 HydrophobicContact CG2-CD2 4.05Å; I101-I176 HydrophobicContact CG1-CG2 3.86Å; I101-I176 HydrophobicContact CG2-CG2 3.88Å; I101-S177 WeakPolarHBondContact CG2-OG 3.4Å
102F95.9Very high93.6Very high8 Ų842.5 Ų42.54%0.03521%0.206CC..Hα-helixtrans-63.8-27.9176.3-168.3-101000112.1I76 M100 V104 I105 G106 V117 I118 I159 N162 I163I76-F102 HydrophobicContact CD1-CD1 4.38Å; M100-F102 PolarHBondContact O-N 2.86Å; F102-V104 VanDerWaalsContact C-N 3.33Å; F102-V104 PolarHBondContact O-N 3.35Å; F102-I105 PolarHBondContact O-N 2.91Å; F102-G106 PolarHBondContact O-N 3.4Å; F102-V117 HydrophobicContact CE2-CG1 4.44Å; F102-I118 HydrophobicContact CE2-CG1 4.42Å; F102-I118 HydrophobicContact CZ-CD1 4.2Å; F102-I118 HydrophobicContact CZ-CG1 4.47Å; F102-I159 HydrophobicContact CD1-CG2 4.2Å; F102-I159 HydrophobicContact CD2-CD1 4.24Å; F102-I159 HydrophobicContact CD2-CG1 3.93Å; F102-I159 HydrophobicContact CD2-CG2 4.48Å; F102-I159 HydrophobicContact CE1-CG2 3.84Å; F102-I159 HydrophobicContact CE2-CD1 4.09Å; F102-I159 HydrophobicContact CE2-CG1 4.15Å; F102-I159 HydrophobicContact CE2-CG2 4.14Å; F102-I159 HydrophobicContact CG-CG1 4.23Å; F102-I159 HydrophobicContact CZ-CG2 3.81Å; F102-N162 HydrophobicContact CB-CB 4.16Å; F102-N162 WeakPolarHBondContact CB-ND2 3.43Å; F102-N162 HydrophobicContact CD1-CB 4.11Å; F102-I163 HydrophobicContact CD1-CG2 4.2Å; F102-I163 HydrophobicContact CE1-CG2 3.74Å
103T95.7Very high93.8Very high1 Ų136.6 Ų36.61%0.00619%0.186CC..Hα-helixtrans-65.3-38.2175.172.40000111.7A72 I76 M100 I101 I105 G106 E107 N162A72-T103 HydrophobicContact CB-CG2 3.52Å; I76-T103 HydrophobicContact CD1-CG2 4.2Å; I76-T103 HydrophobicContact CG1-CG2 4.45Å; M100-T103 HydrophobicContact CB-CG2 4.24Å; M100-T103 WeakPolarHBondContact O-CB 3.45Å; M100-T103 WeakPolarHBondContact O-CG2 3.36Å; M100-T103 PolarHBondContact O-N 3.05Å; M100-T103 PolarHBondContact O-OG1 3.44Å; I101-T103 PolarHBondContact O-N 3.37Å; T103-I105 VanDerWaalsContact C-N 3.34Å; T103-G106 PolarHBondContact O-N 2.94Å; T103-E107 WeakPolarHBondContact O-CB 3.41Å; T103-E107 PolarHBondContact O-N 3.19Å; T103-N162 HydrophobicContact CG2-CB 4.25Å
104V95Very high94.1Very high30 Ų3036.8 Ų36.818%0.18219%0.189CC..Hα-helixtrans-65.5-41175.6-177.20000110.2R96 I101 F102 E107 N108R96-V104 HydrophobicContact CB-CG2 3.61Å; R96-V104 HydrophobicContact CG-CG2 3.95Å; I101-V104 HydrophobicContact CD1-CB 4.31Å; I101-V104 HydrophobicContact CD1-CG2 4.29Å; I101-V104 WeakPolarHBondContact O-CB 3.34Å; I101-V104 PolarHBondContact O-N 3.27Å; I101-V104 VanDerWaalsContact O-N 3.12Å; F102-V104 VanDerWaalsContact C-N 3.33Å; F102-V104 PolarHBondContact O-N 3.35Å; V104-E107 PolarHBondContact O-N 2.84Å; V104-N108 WeakPolarHBondContact CG1-ND2 3Å; V104-N108 WeakPolarHBondContact O-CB 3.34Å; V104-N108 PolarHBondContact O-N 3.08Å; V104-N108 PolarHBondContact O-ND2 3.02Å
105I95.7Very high94.5Very high20 Ų2037.5 Ų37.510%0.10320%0.197CC..Hα-helixtrans-65.5-46.8177.8-62.1170.3000110.2I101 F102 T103 E107 F109 V117 I176I101-I105 PolarHBondContact O-N 3.33Å; F102-I105 PolarHBondContact O-N 2.91Å; T103-I105 VanDerWaalsContact C-N 3.34Å; I105-E107 VanDerWaalsContact C-N 3.34Å; I105-E107 PolarHBondContact O-N 2.91Å; I105-F109 HydrophobicContact CG2-CD2 4.43Å; I105-F109 WeakPolarHBondContact O-CB 3.14Å; I105-F109 PolarHBondContact O-N 3.4Å; I105-V117 HydrophobicContact CD1-CG2 4.14Å; I105-V117 HydrophobicContact CG2-CG2 3.99Å; I105-I176 HydrophobicContact CD1-CG2 4.1Å
106G96.1Very high95Very high4 Ų440 Ų404%0.04120%0.202CC..Hα-helixtrans-63.2-36.8177.100000113.1F102 T103 G110F102-G106 PolarHBondContact O-N 3.4Å; T103-G106 PolarHBondContact O-N 2.94Å; G106-G110 WeakPolarHBondContact O-CA 3.45Å; G106-G110 PolarHBondContact O-N 3.24Å
107E96.5Very high95.4Very high2 Ų237.6 Ų37.61%0.00920%0.195CC..Hα-helixtrans-69.9-56.8175.6-175.1172.6-146.200111.4A75 G79 G83 T84 S89 N90 V91 T103 V104 I105A75-E107 HydrophobicContact CB-CB 4.43Å; G79-E107 VanDerWaalsContact CA-O 3.31Å; G79-E107 WeakPolarHBondContact CA-O 3.48Å; G83-E107 CarbonylContact C-O 3.31Å; G83-E107 VanDerWaalsContact CA-O 3.32Å; G83-E107 WeakPolarHBondContact CA-O 3.47Å; T84-E107 HydrophobicContact CG2-CG 4.13Å; T84-E107 PolarHBondContact N-O 3.13Å; T84-E107 PolarHBondContact OG1-O 2.69Å; T84-E107 VanDerWaalsContact OG1-O 3.05Å; S89-E107 WeakPolarHBondContact CA-OE1 3.34Å; S89-E107 WeakPolarHBondContact CA-OE2 3.31Å; S89-E107 WeakPolarHBondContact CB-OE2 3.36Å; S89-E107 PolarHBondContact OG-OE2 3.06Å; N90-E107 WeakPolarHBondContact CA-OE1 3.45Å; N90-E107 PolarHBondContact N-OE1 3Å; V91-E107 PolarHBondContact N-OE1 3.49Å; T103-E107 WeakPolarHBondContact O-CB 3.41Å; T103-E107 PolarHBondContact O-N 3.19Å; V104-E107 PolarHBondContact O-N 2.84Å; I105-E107 VanDerWaalsContact C-N 3.34Å; I105-E107 PolarHBondContact O-N 2.91Å
108N96.3Very high95.8Very high10 Ų1037.4 Ų37.45%0.05320%0.195CC..Hα-helixtrans-72.5-34.3-172-69.8-83.9000113.7G83 T84 G85 N87 V88 V104G83-N108 WeakPolarHBondContact CA-O 3.49Å; T84-N108 PolarHBondContact N-O 3.29Å; G85-N108 PolarHBondContact N-O 3.01Å; G85-N108 VanDerWaalsContact N-O 3.12Å; G85-N108 PolarHBondContact O-OD1 3Å; N87-N108 WeakPolarHBondContact CA-OD1 3.38Å; N87-N108 PolarHBondContact N-OD1 3.33Å; V88-N108 PolarHBondContact N-OD1 3.44Å; V88-N108 PolarHBondContact O-OD1 3.23Å; V104-N108 WeakPolarHBondContact CG1-ND2 3Å; V104-N108 WeakPolarHBondContact O-CB 3.34Å; V104-N108 PolarHBondContact O-N 3.08Å; V104-N108 PolarHBondContact O-ND2 3.02Å
109F96.8Very high96.2Very high101 Ų10140 Ų4044%0.44321%0.206SC..Hα-helixtrans-119.40.4-173.3-57.8-77.5000114F82 Y86 I105 G113F82-F109 CarbonylContact C-O 3.57Å; F82-F109 CarbonylContact O-C 3.52Å; Y86-F109 AromaticContact CD2-CZ 3.99Å; Y86-F109 HydrophobicContact CD2-CZ 3.99Å; I105-F109 HydrophobicContact CG2-CD2 4.43Å; I105-F109 WeakPolarHBondContact O-CB 3.14Å; I105-F109 PolarHBondContact O-N 3.4Å; F109-G113 PolarHBondContact O-N 3.33Å
110G96.4Very high96.5Very high2 Ų243.1 Ų43.12%0.02122%0.222CC..Hα-helixtrans66.4-162.5174.700000113.8G80 G106 I112 G113 G114G80-G110 WeakPolarHBondContact O-CA 3.27Å; G106-G110 WeakPolarHBondContact O-CA 3.45Å; G106-G110 PolarHBondContact O-N 3.24Å; G110-I112 VanDerWaalsContact C-N 3.25Å; G110-I112 PolarHBondContact O-N 3.46Å; G110-G113 PolarHBondContact O-N 2.92Å; G110-G114 PolarHBondContact O-N 3.45Å; G110-G114 VanDerWaalsContact O-N 3.1Å
111F97Very high96.6Very high150 Ų15043.3 Ų43.366%0.65822%0.222SC*.Hα-helixtrans-54.5-40.5174.5178.5-99.4000112.6G80 V81 G114 A115G80-F111 PolarHBondContact O-N 3.12Å; V81-F111 PolarHBondContact O-N 2.96Å; F111-G114 PolarHBondContact O-N 2.87Å; F111-A115 HydrophobicContact CE1-CB 4.45Å; F111-A115 VanDerWaalsContact O-CB 3.27Å; F111-A115 WeakPolarHBondContact O-CB 3.32Å; F111-A115 PolarHBondContact O-N 3.27Å
112I97.3Very high96.7Very high88 Ų8848.3 Ų48.345%0.45124%0.243SC..Hα-helixtrans-62.8-46.1-178.6-66.2172.2000110.9V81 F82 G110 A115 F116V81-I112 HydrophobicContact CG1-CD1 4.15Å; V81-I112 HydrophobicContact CG1-CG1 4.25Å; V81-I112 WeakPolarHBondContact O-CG1 3.49Å; V81-I112 PolarHBondContact O-N 3.32Å; F82-I112 HydrophobicContact CD1-CD1 3.73Å; F82-I112 HydrophobicContact CE1-CD1 3.74Å; G110-I112 VanDerWaalsContact C-N 3.25Å; G110-I112 PolarHBondContact O-N 3.46Å; I112-A115 PolarHBondContact O-N 3.13Å; I112-F116 WeakPolarHBondContact O-CB 3.24Å; I112-F116 PolarHBondContact O-N 2.96Å
113G96.8Very high96.8Very high12 Ų1251.6 Ų51.612%0.12426%0.261CS..Hα-helixtrans-64.3-44.7177.400000112.8F109 G110 A115 F116 V117F109-G113 PolarHBondContact O-N 3.33Å; G110-G113 PolarHBondContact O-N 2.92Å; G113-A115 PolarHBondContact O-N 2.91Å; G113-F116 PolarHBondContact O-N 3.43Å; G113-V117 WeakPolarHBondContact O-CG2 3.43Å; G113-V117 PolarHBondContact O-N 3.46Å
114G97Very high96.7Very high6 Ų653.9 Ų53.96%0.06227%0.273CS..Hα-helixtrans-59.6-46.5175.700000112.4G110 F111 F116 V117 I118G110-G114 PolarHBondContact O-N 3.45Å; G110-G114 VanDerWaalsContact O-N 3.1Å; F111-G114 PolarHBondContact O-N 2.87Å; G114-F116 VanDerWaalsContact C-N 3.34Å; G114-F116 PolarHBondContact O-N 3.06Å; G114-V117 PolarHBondContact O-N 3.49Å; G114-I118 WeakPolarHBondContact O-CG1 3.44Å; G114-I118 PolarHBondContact O-N 3.28Å
115A97.3Very high96.7Very high41 Ų4153.3 Ų53.334%0.33927%0.268SS..Hα-helixtrans-63.1-39.1177.300000112.4F111 I112 G113 I118 L119F111-A115 HydrophobicContact CE1-CB 4.45Å; F111-A115 VanDerWaalsContact O-CB 3.27Å; F111-A115 WeakPolarHBondContact O-CB 3.32Å; F111-A115 PolarHBondContact O-N 3.27Å; I112-A115 PolarHBondContact O-N 3.13Å; G113-A115 PolarHBondContact O-N 2.91Å; A115-I118 PolarHBondContact O-N 2.74Å; A115-L119 WeakPolarHBondContact O-CB 3.44Å; A115-L119 PolarHBondContact O-N 3.35Å
116F97.6Very high96.6Very high127 Ų12758.7 Ų58.756%0.55729%0.288SS*.Hα-helixtrans-63.4-42.3176.2-179.6-107.3000112.2I112 G113 G114 L119 I120I112-F116 WeakPolarHBondContact O-CB 3.24Å; I112-F116 PolarHBondContact O-N 2.96Å; G113-F116 PolarHBondContact O-N 3.43Å; G114-F116 VanDerWaalsContact C-N 3.34Å; G114-F116 PolarHBondContact O-N 3.06Å; F116-L119 WeakPolarHBondContact O-CB 3.47Å; F116-L119 PolarHBondContact O-N 3.31Å; F116-I120 HydrophobicContact CD1-CD1 3.83Å; F116-I120 HydrophobicContact CE1-CD1 3.35Å; F116-I120 HydrophobicContact CE1-CG1 4.31Å; F116-I120 HydrophobicContact CE2-CD1 4.44Å; F116-I120 HydrophobicContact CZ-CD1 3.7Å; F116-I120 HydrophobicContact CZ-CG1 4.31Å; F116-I120 WeakPolarHBondContact O-CG1 3.32Å; F116-I120 PolarHBondContact O-N 3.17Å
117V97.4Very high96.4Very high15 Ų1567.1 Ų67.19%0.09132%0.319CS..Hα-helixtrans-65-44.9176.1170.80000111.4F102 I105 G113 G114 L119 I120 Y121 I176F102-V117 HydrophobicContact CE2-CG1 4.44Å; I105-V117 HydrophobicContact CD1-CG2 4.14Å; I105-V117 HydrophobicContact CG2-CG2 3.99Å; G113-V117 WeakPolarHBondContact O-CG2 3.43Å; G113-V117 PolarHBondContact O-N 3.46Å; G114-V117 PolarHBondContact O-N 3.49Å; V117-L119 VanDerWaalsContact C-N 3.26Å; V117-L119 PolarHBondContact O-N 2.51Å; V117-I120 PolarHBondContact O-N 2.8Å; V117-I120 VanDerWaalsContact O-N 3.16Å; V117-Y121 HydrophobicContact CG1-CD2 3.87Å; V117-Y121 HydrophobicContact CG1-CE2 3.63Å; V117-Y121 VanDerWaalsContact O-CD2 3.3Å; V117-Y121 WeakPolarHBondContact O-CD2 3.28Å; V117-Y121 PolarHBondContact O-N 3.3Å; V117-I176 HydrophobicContact CG1-CD1 3.86Å
118I97.3Very high96.1Very high84 Ų8467.6 Ų67.643%0.43132%0.321SS..Hα-helixtrans-58.2-42.1174.5-68.4166.6000110.5F102 G114 A115 I120 Y121 F122 I159F102-I118 HydrophobicContact CE2-CG1 4.42Å; F102-I118 HydrophobicContact CZ-CD1 4.2Å; F102-I118 HydrophobicContact CZ-CG1 4.47Å; G114-I118 WeakPolarHBondContact O-CG1 3.44Å; G114-I118 PolarHBondContact O-N 3.28Å; A115-I118 PolarHBondContact O-N 2.74Å; I118-I120 PolarHBondContact O-N 2.91Å; I118-Y121 PolarHBondContact O-N 3.04Å; I118-F122 WeakPolarHBondContact O-CB 3.36Å; I118-F122 PolarHBondContact O-N 3.3Å; I118-I159 HydrophobicContact CD1-CG2 4.26Å; I118-I159 HydrophobicContact CG1-CD1 3.87Å; I118-I159 HydrophobicContact CG1-CG2 4.43Å
119L97.7Very high95.9Very high90 Ų9070.1 Ų70.147%0.47133%0.334SS..Hα-helixtrans-62.7-40.8176.8-179.964.7000112.2A115 F116 V117 F122 I123A115-L119 WeakPolarHBondContact O-CB 3.44Å; A115-L119 PolarHBondContact O-N 3.35Å; F116-L119 WeakPolarHBondContact O-CB 3.47Å; F116-L119 PolarHBondContact O-N 3.31Å; V117-L119 VanDerWaalsContact C-N 3.26Å; V117-L119 PolarHBondContact O-N 2.51Å; L119-F122 WeakPolarHBondContact O-CB 3.3Å; L119-F122 PolarHBondContact O-N 3.37Å; L119-I123 HydrophobicContact CD1-CD1 4.28Å; L119-I123 HydrophobicContact CD1-CG1 4.45Å; L119-I123 HydrophobicContact CG-CD1 4.08Å; L119-I123 VanDerWaalsContact O-CG1 3.32Å; L119-I123 WeakPolarHBondContact O-CG1 3.38Å; L119-I123 PolarHBondContact O-N 3.31Å
120I97.6Very high95.5Very high82 Ų8272.3 Ų72.342%0.42134%0.339SS..Hα-helixtrans-60.8-48.6175.3-72.7170.6000110.6F116 V117 I118 F122 I123 L124F116-I120 HydrophobicContact CD1-CD1 3.83Å; F116-I120 HydrophobicContact CE1-CD1 3.35Å; F116-I120 HydrophobicContact CE1-CG1 4.31Å; F116-I120 HydrophobicContact CE2-CD1 4.44Å; F116-I120 HydrophobicContact CZ-CD1 3.7Å; F116-I120 HydrophobicContact CZ-CG1 4.31Å; F116-I120 WeakPolarHBondContact O-CG1 3.32Å; F116-I120 PolarHBondContact O-N 3.17Å; V117-I120 PolarHBondContact O-N 2.8Å; V117-I120 VanDerWaalsContact O-N 3.16Å; I118-I120 PolarHBondContact O-N 2.91Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.29Å; I120-I123 PolarHBondContact O-N 2.88Å; I120-L124 WeakPolarHBondContact O-CB 3.17Å; I120-L124 PolarHBondContact O-N 3.02Å
121Y96.8Very high95Very high8 Ų874.1 Ų74.13%0.03135%0.348CS..Hα-helixtrans-63.6-38.1176.9-78.1-68000112.3V117 I118 I123 L124 I125 V155 L173 P174 I176V117-Y121 HydrophobicContact CG1-CD2 3.87Å; V117-Y121 HydrophobicContact CG1-CE2 3.63Å; V117-Y121 VanDerWaalsContact O-CD2 3.3Å; V117-Y121 WeakPolarHBondContact O-CD2 3.28Å; V117-Y121 PolarHBondContact O-N 3.3Å; I118-Y121 PolarHBondContact O-N 3.04Å; Y121-I123 PolarHBondContact O-N 3.4Å; Y121-L124 HydrophobicContact CD1-CD2 4.36Å; Y121-L124 PolarHBondContact O-N 3.1Å; Y121-I125 WeakPolarHBondContact O-CB 3.44Å; Y121-I125 VanDerWaalsContact O-CG1 3.28Å; Y121-I125 WeakPolarHBondContact O-CG1 3.47Å; Y121-I125 PolarHBondContact O-N 3.4Å; Y121-V155 HydrophobicContact CD1-CB 4.46Å; Y121-V155 HydrophobicContact CD1-CG1 4.17Å; Y121-V155 HydrophobicContact CD1-CG2 3.41Å; Y121-V155 VanDerWaalsContact CD1-CG2 3.41Å; Y121-V155 HydrophobicContact CD2-CG1 3.99Å; Y121-V155 HydrophobicContact CD2-CG2 4.5Å; Y121-V155 HydrophobicContact CE1-CG2 3.67Å; Y121-V155 HydrophobicContact CG-CG1 3.74Å; Y121-V155 HydrophobicContact CG-CG2 3.89Å; Y121-L173 HydrophobicContact CE2-CD1 3.86Å; Y121-L173 HydrophobicContact CE2-CD2 3.99Å; Y121-L173 HydrophobicContact CE2-CG 3.94Å; Y121-L173 WeakPolarHBondContact OH-CG 3.36Å; Y121-P174 WeakPolarHBondContact CE1-O 3.27Å; Y121-P174 PolarHBondContact OH-O 2.96Å; Y121-I176 HydrophobicContact CE2-CD1 3.84Å; Y121-I176 VanDerWaalsContact OH-CD1 3.24Å; Y121-I176 WeakPolarHBondContact OH-CD1 3.02Å; Y121-I176 VanDerWaalsContact OH-CG1 3.28Å; Y121-I176 WeakPolarHBondContact OH-CG1 3.39Å
122F96.6Very high94.5Very high133 Ų13367.3 Ų67.358%0.58332%0.319SS*.Hα-helixtrans-59.5-46.7174.9179.5-94.6000111.3I118 L119 I120 Y126I118-F122 WeakPolarHBondContact O-CB 3.36Å; I118-F122 PolarHBondContact O-N 3.3Å; L119-F122 WeakPolarHBondContact O-CB 3.3Å; L119-F122 PolarHBondContact O-N 3.37Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.29Å; F122-Y126 WeakPolarHBondContact O-CB 3.27Å; F122-Y126 PolarHBondContact O-N 3.22Å
123I97Very high93.8Very high77 Ų7769.2 Ų69.240%0.39532%0.324SS..Hα-helixtrans-63.6-43.4176.6-67.3166.2000111L119 I120 Y121 Y126 R127L119-I123 HydrophobicContact CD1-CD1 4.28Å; L119-I123 HydrophobicContact CD1-CG1 4.45Å; L119-I123 HydrophobicContact CG-CD1 4.08Å; L119-I123 VanDerWaalsContact O-CG1 3.32Å; L119-I123 WeakPolarHBondContact O-CG1 3.38Å; L119-I123 PolarHBondContact O-N 3.31Å; I120-I123 PolarHBondContact O-N 2.88Å; Y121-I123 PolarHBondContact O-N 3.4Å; I123-Y126 PolarHBondContact O-N 3.28Å; I123-R127 WeakPolarHBondContact O-CB 3.47Å; I123-R127 WeakPolarHBondContact O-CG 3.28Å; I123-R127 PolarHBondContact O-N 3.47Å
124L94.3Very high93.1Very high50 Ų5073.3 Ų73.326%0.26234%0.344SS..Hα-helixtrans-60.4-54.9178.5177.964.2000111.1I120 Y121 Y126 R127 M128 F175 I190I120-L124 WeakPolarHBondContact O-CB 3.17Å; I120-L124 PolarHBondContact O-N 3.02Å; Y121-L124 HydrophobicContact CD1-CD2 4.36Å; Y121-L124 PolarHBondContact O-N 3.1Å; L124-Y126 VanDerWaalsContact C-N 3.31Å; L124-Y126 PolarHBondContact O-N 3.04Å; L124-R127 PolarHBondContact O-N 2.96Å; L124-R127 VanDerWaalsContact O-N 3.16Å; L124-M128 HydrophobicContact CG-SD 4.38Å; L124-M128 WeakPolarHBondContact O-CG 3.48Å; L124-M128 PolarHBondContact O-N 3.27Å; L124-F175 HydrophobicContact CD2-CD2 4.32Å; L124-F175 HydrophobicContact CD2-CE2 4.11Å; L124-I190 HydrophobicContact CD1-CD1 4.35Å
125I94.4Very high92.3Very high17 Ų1773.9 Ų73.99%0.08735%0.345CS..Hα-helixtrans-62.1-41.6179.8-66.8165000110.2Y121 R127 M128 I129 V148 M151 L152Y121-I125 WeakPolarHBondContact O-CB 3.44Å; Y121-I125 VanDerWaalsContact O-CG1 3.28Å; Y121-I125 WeakPolarHBondContact O-CG1 3.47Å; Y121-I125 PolarHBondContact O-N 3.4Å; I125-R127 VanDerWaalsContact C-N 3.33Å; I125-R127 PolarHBondContact O-N 3.35Å; I125-M128 PolarHBondContact O-N 2.91Å; I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 HydrophobicContact CG2-CG1 4.23Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.27Å; I125-I129 PolarHBondContact O-N 3.29Å; I125-V148 HydrophobicContact CG2-CG1 4.27Å; I125-M151 HydrophobicContact CG1-CG 4.46Å; I125-L152 HydrophobicContact CD1-CB 4.08Å; I125-L152 HydrophobicContact CD1-CD1 4.46Å; I125-L152 HydrophobicContact CD1-CG 4.43Å; I125-L152 HydrophobicContact CG2-CB 4.49Å; I125-L152 HydrophobicContact CG2-CD1 4.02Å
126Y94.1Very high91.1Very high134 Ų13477.3 Ų77.353%0.52536%0.357SS..Hα-helixtrans-58.1-44.4175172.4-102.1000112F122 I123 L124 I129 R130F122-Y126 WeakPolarHBondContact O-CB 3.27Å; F122-Y126 PolarHBondContact O-N 3.22Å; I123-Y126 PolarHBondContact O-N 3.28Å; L124-Y126 VanDerWaalsContact C-N 3.31Å; L124-Y126 PolarHBondContact O-N 3.04Å; Y126-I129 PolarHBondContact O-N 3.4Å; Y126-R130 PolarHBondContact O-N 3.47Å
127R92.2Very high90.1Very high180 Ų18074 Ų7468%0.67935%0.345SS*.Hα-helixtrans-63.5-42175.8-77.3-176.1174-167.8-2112.1I123 L124 I125 R130 L131I123-R127 WeakPolarHBondContact O-CB 3.47Å; I123-R127 WeakPolarHBondContact O-CG 3.28Å; I123-R127 PolarHBondContact O-N 3.47Å; L124-R127 PolarHBondContact O-N 2.96Å; L124-R127 VanDerWaalsContact O-N 3.16Å; I125-R127 VanDerWaalsContact C-N 3.33Å; I125-R127 PolarHBondContact O-N 3.35Å; R127-R130 WeakPolarHBondContact O-CB 3.33Å; R127-R130 PolarHBondContact O-N 3.29Å; R127-L131 PolarHBondContact O-N 3.45Å
128M91.2Very high89.3Confident13 Ų1379.9 Ų79.96%0.06437%0.372CS..Hα-helixtrans-68.4-36.2177.2-59.5175.470.500112.3L124 I125 R130 L131 C132 I147 V148 I190L124-M128 HydrophobicContact CG-SD 4.38Å; L124-M128 WeakPolarHBondContact O-CG 3.48Å; L124-M128 PolarHBondContact O-N 3.27Å; I125-M128 PolarHBondContact O-N 2.91Å; M128-R130 VanDerWaalsContact C-N 3.34Å; M128-L131 VanDerWaalsContact O-CB 3.23Å; M128-L131 WeakPolarHBondContact O-CB 3.47Å; M128-L131 PolarHBondContact O-N 2.97Å; M128-C132 PolarHBondContact O-N 3.02Å; M128-C132 PolarHBondContact O-SG 2.94Å; M128-C132 VanDerWaalsContact O-SG 3.4Å; M128-I147 HydrophobicContact CE-CG2 4.39Å; M128-V148 HydrophobicContact CB-CG2 3.54Å; M128-V148 HydrophobicContact CE-CG2 3.92Å; M128-I190 HydrophobicContact CE-CG1 3.91Å; M128-I190 HydrophobicContact SD-CD1 4.24Å; M128-I190 HydrophobicContact SD-CG1 4.24Å
129I91.1Very high88.5Confident62 Ų6281.9 Ų81.932%0.31838%0.378SS..Hα-helixtrans-62.4-44.2172.5-70.6169.8000110.1I125 Y126 L131 C132 F133 V148I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 HydrophobicContact CG2-CG1 4.23Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.27Å; I125-I129 PolarHBondContact O-N 3.29Å; Y126-I129 PolarHBondContact O-N 3.4Å; I129-L131 VanDerWaalsContact C-N 3.3Å; I129-L131 PolarHBondContact O-N 3.33Å; I129-C132 WeakPolarHBondContact O-CB 3.48Å; I129-C132 PolarHBondContact O-N 2.85Å; I129-C132 VanDerWaalsContact O-N 3.17Å; I129-F133 HydrophobicContact CG2-CD2 4.18Å; I129-F133 HydrophobicContact CG2-CE2 3.69Å; I129-F133 WeakPolarHBondContact O-CD2 3.35Å; I129-F133 PolarHBondContact O-N 2.89Å; I129-V148 HydrophobicContact CD1-CG1 4.4Å; I129-V148 HydrophobicContact CG1-CG1 3.6Å
130R89.2Confident87.8Confident148 Ų14881.5 Ų81.556%0.55837%0.371SS*.Hα-helixtrans-59.1-43.2175.7-170-177.9-178.2-177.22.2111.3Y126 R127 M128 C132 F133 D134Y126-R130 PolarHBondContact O-N 3.47Å; R127-R130 WeakPolarHBondContact O-CB 3.33Å; R127-R130 PolarHBondContact O-N 3.29Å; M128-R130 VanDerWaalsContact C-N 3.34Å; R130-C132 PolarHBondContact O-N 2.89Å; R130-F133 WeakPolarHBondContact O-CA 3.23Å; R130-F133 WeakPolarHBondContact O-CB 3.42Å; R130-F133 PolarHBondContact O-N 3.45Å; R130-D134 PolarHBondContact O-N 3.01Å
131L85.6Confident87.2Confident40 Ų4078.5 Ų78.521%0.20936%0.358CS..Hα-helixtrans-53.3-42.3175.2-160.876.3000112R127 M128 I129 F133 D134 M135 C193 M194 T197R127-L131 PolarHBondContact O-N 3.45Å; M128-L131 VanDerWaalsContact O-CB 3.23Å; M128-L131 WeakPolarHBondContact O-CB 3.47Å; M128-L131 PolarHBondContact O-N 2.97Å; I129-L131 VanDerWaalsContact C-N 3.3Å; I129-L131 PolarHBondContact O-N 3.33Å; L131-F133 VanDerWaalsContact C-N 3.26Å; L131-F133 PolarHBondContact O-N 3.37Å; L131-D134 PolarHBondContact O-N 3.49Å; L131-D134 VanDerWaalsContact O-N 3.15Å; L131-M135 HydrophobicContact CD2-CE 4.31Å; L131-M135 HydrophobicContact CG-CE 4.29Å; L131-M135 WeakPolarHBondContact O-CG 3.4Å; L131-M135 PolarHBondContact O-N 3.25Å; L131-C193 HydrophobicContact CD2-CB 4.04Å; L131-C193 VanDerWaalsContact CD2-O 3.28Å; L131-C193 WeakPolarHBondContact CD2-O 3.46Å; L131-M194 HydrophobicContact CD2-CG 4.41Å; L131-T197 HydrophobicContact CD1-CG2 3.39Å; L131-T197 HydrophobicContact CD2-CG2 4.06Å; L131-T197 HydrophobicContact CG-CG2 3.52Å
132C86.2Confident86.7Confident6 Ų683 Ų834%0.04138%0.376CS..Hα-helixtrans-63.6-28176.5-63.80000113.6M4 M128 I129 R130M4-C132 HydrophobicContact CE-CB 3.87Å; M128-C132 PolarHBondContact O-N 3.02Å; M128-C132 PolarHBondContact O-SG 2.94Å; M128-C132 VanDerWaalsContact O-SG 3.4Å; I129-C132 WeakPolarHBondContact O-CB 3.48Å; I129-C132 PolarHBondContact O-N 2.85Å; I129-C132 VanDerWaalsContact O-N 3.17Å; R130-C132 PolarHBondContact O-N 2.89Å
133F83.4Confident86.2Confident129 Ų12979.3 Ų79.357%0.56636%0.361SS*.Hα-helixtrans-77.5-24.5175.3-74.5-79.2000112.9M4 I129 R130 L131 M135M4-F133 HydrophobicContact CB-CE1 4.31Å; M4-F133 HydrophobicContact CE-CB 4.17Å; M4-F133 HydrophobicContact CE-CD1 3.25Å; M4-F133 HydrophobicContact CE-CD2 3.36Å; M4-F133 HydrophobicContact CE-CE1 3.32Å; M4-F133 HydrophobicContact CE-CE2 3.41Å; M4-F133 VanDerWaalsContact CE-CE2 3.41Å; M4-F133 HydrophobicContact CE-CG 3.28Å; M4-F133 HydrophobicContact CE-CZ 3.4Å; M4-F133 VanDerWaalsContact CE-CZ 3.4Å; M4-F133 HydrophobicContact CG-CD1 4.39Å; M4-F133 HydrophobicContact CG-CE1 3.48Å; M4-F133 VanDerWaalsContact CG-CE1 3.48Å; M4-F133 HydrophobicContact CG-CE2 4.09Å; M4-F133 HydrophobicContact CG-CZ 3.3Å; M4-F133 HydrophobicContact SD-CD1 4.38Å; M4-F133 HydrophobicContact SD-CD2 4.11Å; M4-F133 HydrophobicContact SD-CE1 3.86Å; M4-F133 HydrophobicContact SD-CE2 3.54Å; M4-F133 VanDerWaalsContact SD-CE2 3.54Å; M4-F133 HydrophobicContact SD-CG 4.5Å; M4-F133 HydrophobicContact SD-CZ 3.41Å; M4-F133 WeakPolarHBondContact SD-CZ 3.39Å; I129-F133 HydrophobicContact CG2-CD2 4.18Å; I129-F133 HydrophobicContact CG2-CE2 3.69Å; I129-F133 WeakPolarHBondContact O-CD2 3.35Å; I129-F133 PolarHBondContact O-N 2.89Å; R130-F133 WeakPolarHBondContact O-CA 3.23Å; R130-F133 WeakPolarHBondContact O-CB 3.42Å; R130-F133 PolarHBondContact O-N 3.45Å; L131-F133 VanDerWaalsContact C-N 3.26Å; L131-F133 PolarHBondContact O-N 3.37Å; F133-M135 VanDerWaalsContact C-N 3.32Å
134D81.9Confident85.8Confident98 Ų9875.6 Ų75.652%0.52434%0.342SS..SBendtrans-87.2-4.6-179.2-61.2-30.6000112R130 L131R130-D134 PolarHBondContact O-N 3.01Å; L131-D134 PolarHBondContact O-N 3.49Å; L131-D134 VanDerWaalsContact O-N 3.15Å
135M79.1Confident85.6Confident17 Ų1773.6 Ų73.68%0.08433%0.333CS..  trans-75.5127.8177.6-71.9179.217900111.7L131 F133 A141 A144 C193 L196 T197L131-M135 HydrophobicContact CD2-CE 4.31Å; L131-M135 HydrophobicContact CG-CE 4.29Å; L131-M135 WeakPolarHBondContact O-CG 3.4Å; L131-M135 PolarHBondContact O-N 3.25Å; F133-M135 VanDerWaalsContact C-N 3.32Å; M135-A141 HydrophobicContact CB-CB 4.22Å; M135-A141 HydrophobicContact SD-CB 4.49Å; M135-A144 HydrophobicContact CE-CB 3.5Å; M135-A144 HydrophobicContact SD-CB 3.65Å; M135-C193 WeakPolarHBondContact CE-O 3.46Å; M135-L196 HydrophobicContact CE-CB 3.68Å; M135-L196 HydrophobicContact SD-CB 4.33Å; M135-T197 HydrophobicContact CE-CG2 4.04Å
136N72.5Confident85.5Confident114 Ų11474.7 Ų74.761%0.6135%0.348SS*.SBendtrans-75.8-24.7179.4-72.6-41.8000113.7A198 K262N136-A198 WeakPolarHBondContact ND2-CB 3.46Å; N136-K262 PolarHBondContact ND2-NZ 2.85Å
137N77.1Confident85.4Confident57 Ų5769.6 Ų69.631%0.30533%0.329SS..  trans-105.3122.3-177-173.4-28.7000110F139 Y140 A141N137-F139 VanDerWaalsContact C-N 3.25Å; N137-F139 PolarHBondContact O-N 2.83Å; N137-F139 VanDerWaalsContact OD1-CB 3.24Å; N137-F139 WeakPolarHBondContact OD1-CB 3.39Å; N137-F139 PolarHBondContact OD1-N 3.39Å; N137-Y140 HydrophobicContact CB-CD2 3.51Å; N137-Y140 HydrophobicContact CB-CE2 3.98Å; N137-Y140 HydrophobicContact CB-CG 3.97Å; N137-Y140 PolarHBondContact O-N 3.39Å; N137-A141 PolarHBondContact O-N 2.91Å
138E81.1Confident85.5Confident138 Ų13861.2 Ų61.265%0.64530%0.298SS*.Hα-helixtrans-58.3-37.1179-64.1-173.8-175.300112.5Y140 A141 Y142E138-Y140 PolarHBondContact O-N 3.47Å; E138-A141 WeakPolarHBondContact O-CB 3.42Å; E138-A141 PolarHBondContact O-N 2.97Å; E138-Y142 HydrophobicContact CB-CE2 4.06Å; E138-Y142 WeakPolarHBondContact O-CD2 3.44Å; E138-Y142 VanDerWaalsContact O-CG 3.3Å; E138-Y142 PolarHBondContact O-N 3.38Å
139F79.9Confident85.5Confident127 Ų12764.8 Ų64.856%0.55732%0.316SS*.Hα-helixtrans-61.3-46.7177.9178.2-105.4000111.4N137 Y142 I143N137-F139 VanDerWaalsContact C-N 3.25Å; N137-F139 PolarHBondContact O-N 2.83Å; N137-F139 VanDerWaalsContact OD1-CB 3.24Å; N137-F139 WeakPolarHBondContact OD1-CB 3.39Å; N137-F139 PolarHBondContact OD1-N 3.39Å; F139-Y142 PolarHBondContact O-N 2.85Å; F139-I143 HydrophobicContact CD1-CD1 3.92Å; F139-I143 HydrophobicContact CE1-CD1 3.38Å; F139-I143 HydrophobicContact CE2-CD1 4.26Å; F139-I143 HydrophobicContact CZ-CD1 3.58Å; F139-I143 HydrophobicContact CZ-CG1 4.45Å; F139-I143 PolarHBondContact O-N 3.12Å; F139-I143 VanDerWaalsContact O-N 3.1Å
140Y83Confident85.6Confident82 Ų8265.7 Ų65.732%0.32232%0.319SS..Hα-helixtrans-65.7-39.3176.3-61.3-22.9000111.8N137 E138 Y142 I143 A144 L196N137-Y140 HydrophobicContact CB-CD2 3.51Å; N137-Y140 HydrophobicContact CB-CE2 3.98Å; N137-Y140 HydrophobicContact CB-CG 3.97Å; N137-Y140 PolarHBondContact O-N 3.39Å; E138-Y140 PolarHBondContact O-N 3.47Å; Y140-Y142 VanDerWaalsContact C-N 3.3Å; Y140-Y142 PolarHBondContact O-N 3.42Å; Y140-I143 PolarHBondContact O-N 2.78Å; Y140-A144 VanDerWaalsContact O-CB 3.3Å; Y140-A144 WeakPolarHBondContact O-CB 3.07Å; Y140-A144 PolarHBondContact O-N 3.33Å; Y140-L196 HydrophobicContact CD1-CD2 3.65Å; Y140-L196 HydrophobicContact CD2-CD2 4.25Å; Y140-L196 HydrophobicContact CE1-CD2 4.07Å; Y140-L196 HydrophobicContact CG-CD2 3.78Å; Y140-L196 HydrophobicContact CG-CG 4.49Å
141A84.8Confident85.8Confident18 Ų1858.7 Ų58.715%0.14929%0.293CS..Hα-helixtrans-59.2-41.4174.200000111.5M135 N137 E138 S145M135-A141 HydrophobicContact CB-CB 4.22Å; M135-A141 HydrophobicContact SD-CB 4.49Å; N137-A141 PolarHBondContact O-N 2.91Å; E138-A141 WeakPolarHBondContact O-CB 3.42Å; E138-A141 PolarHBondContact O-N 2.97Å; A141-S145 WeakPolarHBondContact O-CB 3.34Å; A141-S145 PolarHBondContact O-N 3Å; A141-S145 PolarHBondContact O-OG 3.04Å
142Y85.9Confident86.3Confident104 Ų10460 Ų6041%0.40830%0.3SS..Hα-helixtrans-66.4-41.8177.2-66.7-43000113.1M1 E138 F139 Y140 S145 G146M1-Y142 HydrophobicContact CE-CD1 4.36Å; E138-Y142 HydrophobicContact CB-CE2 4.06Å; E138-Y142 WeakPolarHBondContact O-CD2 3.44Å; E138-Y142 VanDerWaalsContact O-CG 3.3Å; E138-Y142 PolarHBondContact O-N 3.38Å; F139-Y142 PolarHBondContact O-N 2.85Å; Y140-Y142 VanDerWaalsContact C-N 3.3Å; Y140-Y142 PolarHBondContact O-N 3.42Å; Y142-S145 WeakPolarHBondContact CA-OG 3.16Å; Y142-S145 PolarHBondContact O-OG 3.03Å; Y142-G146 PolarHBondContact O-N 2.94Å; Y142-G146 VanDerWaalsContact O-N 3.08Å
143I86.8Confident86.7Confident54 Ų5465.4 Ų65.428%0.27732%0.323SS..Hα-helixtrans-66.3-50.5176.9-60.1166.7000110.6F139 Y140 S145 G146 I147 Y192 L196F139-I143 HydrophobicContact CD1-CD1 3.92Å; F139-I143 HydrophobicContact CE1-CD1 3.38Å; F139-I143 HydrophobicContact CE2-CD1 4.26Å; F139-I143 HydrophobicContact CZ-CD1 3.58Å; F139-I143 HydrophobicContact CZ-CG1 4.45Å; F139-I143 PolarHBondContact O-N 3.12Å; F139-I143 VanDerWaalsContact O-N 3.1Å; Y140-I143 PolarHBondContact O-N 2.78Å; I143-S145 PolarHBondContact O-N 2.8Å; I143-G146 WeakPolarHBondContact O-CA 3.49Å; I143-G146 PolarHBondContact O-N 2.91Å; I143-I147 HydrophobicContact CG2-CD1 4.34Å; I143-I147 PolarHBondContact O-N 3.41Å; I143-I147 VanDerWaalsContact O-N 3.13Å; I143-Y192 HydrophobicContact CB-CE1 4.46Å; I143-Y192 HydrophobicContact CG2-CD1 4.31Å; I143-Y192 HydrophobicContact CG2-CE1 3.56Å; I143-L196 HydrophobicContact CB-CD1 4.48Å
144A89Confident87.3Confident0 Ų061.3 Ų61.30%031%0.306CS..Hα-helixtrans-59.3-40-178.500000111.6M135 Y140 G146 I147 V148 L196M135-A144 HydrophobicContact CE-CB 3.5Å; M135-A144 HydrophobicContact SD-CB 3.65Å; Y140-A144 VanDerWaalsContact O-CB 3.3Å; Y140-A144 WeakPolarHBondContact O-CB 3.07Å; Y140-A144 PolarHBondContact O-N 3.33Å; A144-G146 VanDerWaalsContact C-N 3.35Å; A144-G146 PolarHBondContact O-N 2.88Å; A144-I147 WeakPolarHBondContact O-CB 3.38Å; A144-I147 PolarHBondContact O-N 2.9Å; A144-V148 WeakPolarHBondContact O-CG2 3.49Å; A144-V148 PolarHBondContact O-N 3.2Å; A144-L196 HydrophobicContact CB-CD1 4.3Å
145S89.8Confident88Confident8 Ų857.3 Ų57.36%0.05628%0.284CS..Hα-helixtrans-71.9-28.2178.256.30000113.2M1 A141 Y142 I143 V148 M149M1-S145 WeakPolarHBondContact CE-OG 3.28Å; M1-S145 WeakPolarHBondContact SD-CB 3.09Å; M1-S145 PolarHBondContact SD-OG 3.05Å; A141-S145 WeakPolarHBondContact O-CB 3.34Å; A141-S145 PolarHBondContact O-N 3Å; A141-S145 PolarHBondContact O-OG 3.04Å; Y142-S145 WeakPolarHBondContact CA-OG 3.16Å; Y142-S145 PolarHBondContact O-OG 3.03Å; I143-S145 PolarHBondContact O-N 2.8Å; S145-V148 PolarHBondContact O-N 3.46Å; S145-M149 WeakPolarHBondContact O-CB 3.32Å; S145-M149 VanDerWaalsContact O-CG 3.31Å; S145-M149 WeakPolarHBondContact O-CG 3.31Å; S145-M149 PolarHBondContact O-N 3.12Å
146G91.5Very high88.8Confident39 Ų3962 Ų6240%0.40231%0.305SS..Hα-helixtrans-59.4-44.5165.800000112.6Y142 I143 A144 M149 M150Y142-G146 PolarHBondContact O-N 2.94Å; Y142-G146 VanDerWaalsContact O-N 3.08Å; I143-G146 WeakPolarHBondContact O-CA 3.49Å; I143-G146 PolarHBondContact O-N 2.91Å; A144-G146 VanDerWaalsContact C-N 3.35Å; A144-G146 PolarHBondContact O-N 2.88Å; G146-M149 PolarHBondContact O-N 3.26Å; G146-M150 PolarHBondContact O-N 2.59Å
147I92.1Very high89.9Confident27 Ų2757 Ų5714%0.13828%0.278CS..Hα-helixtrans-64.7-43.1176.2-63.3168.1000111M128 I143 A144 M149 M150 M151 Y192M128-I147 HydrophobicContact CE-CG2 4.39Å; I143-I147 HydrophobicContact CG2-CD1 4.34Å; I143-I147 PolarHBondContact O-N 3.41Å; I143-I147 VanDerWaalsContact O-N 3.13Å; A144-I147 WeakPolarHBondContact O-CB 3.38Å; A144-I147 PolarHBondContact O-N 2.9Å; I147-M149 VanDerWaalsContact C-N 3.34Å; I147-M149 PolarHBondContact O-N 3.47Å; I147-M150 HydrophobicContact CG2-CE 4.48Å; I147-M150 WeakPolarHBondContact O-CB 3.16Å; I147-M150 PolarHBondContact O-N 3.28Å; I147-M151 PolarHBondContact O-N 3.36Å; I147-Y192 HydrophobicContact CD1-CD1 3.66Å; I147-Y192 HydrophobicContact CD1-CE1 4.43Å
148V93.6Very high90.8Very high5 Ų554.4 Ų54.43%0.0326%0.264CS..Hα-helixtrans-58.8-45.2174.7172.10000111.5I125 M128 I129 A144 S145 M151 L152I125-V148 HydrophobicContact CG2-CG1 4.27Å; M128-V148 HydrophobicContact CB-CG2 3.54Å; M128-V148 HydrophobicContact CE-CG2 3.92Å; I129-V148 HydrophobicContact CD1-CG1 4.4Å; I129-V148 HydrophobicContact CG1-CG1 3.6Å; A144-V148 WeakPolarHBondContact O-CG2 3.49Å; A144-V148 PolarHBondContact O-N 3.2Å; S145-V148 PolarHBondContact O-N 3.46Å; V148-M151 PolarHBondContact O-N 3.48Å; V148-L152 WeakPolarHBondContact O-CB 3.33Å; V148-L152 PolarHBondContact O-N 3.49Å
149M92.8Very high91.5Very high88 Ų8848.5 Ų48.543%0.43324%0.237SC..Hα-helixtrans-65.9-38.3178.7-73.9-54.9-51.300112.1M1 S145 G146 I147 L152 F153M1-M149 HydrophobicContact SD-CG 3.94Å; S145-M149 WeakPolarHBondContact O-CB 3.32Å; S145-M149 VanDerWaalsContact O-CG 3.31Å; S145-M149 WeakPolarHBondContact O-CG 3.31Å; S145-M149 PolarHBondContact O-N 3.12Å; G146-M149 PolarHBondContact O-N 3.26Å; I147-M149 VanDerWaalsContact C-N 3.34Å; I147-M149 PolarHBondContact O-N 3.47Å; M149-L152 HydrophobicContact CE-CD2 4.04Å; M149-L152 PolarHBondContact O-N 3.1Å; M149-F153 WeakPolarHBondContact O-CB 3.38Å; M149-F153 PolarHBondContact O-N 3.48Å
150M93.1Very high92.3Very high80 Ų8042.6 Ų42.639%0.39421%0.212SC..Hα-helixtrans-60.6-48.2173.1-179.5-172.670.200111.4G146 I147 F153 H154G146-M150 PolarHBondContact O-N 2.59Å; I147-M150 HydrophobicContact CG2-CE 4.48Å; I147-M150 WeakPolarHBondContact O-CB 3.16Å; I147-M150 PolarHBondContact O-N 3.28Å; M150-F153 PolarHBondContact O-N 3Å; M150-H154 PolarHBondContact O-N 2.81Å
151M93.7Very high92.8Very high2 Ų238.8 Ų38.81%0.0120%0.197CC..Hα-helixtrans-58.8-48.9176.7-179.666.56600111.6I125 I147 V148 F153 H154 V155 P174 F175 N186 I190I125-M151 HydrophobicContact CG1-CG 4.46Å; I147-M151 PolarHBondContact O-N 3.36Å; V148-M151 PolarHBondContact O-N 3.48Å; M151-F153 VanDerWaalsContact C-N 3.3Å; M151-F153 PolarHBondContact O-N 2.92Å; M151-H154 PolarHBondContact O-N 3.5Å; M151-V155 WeakPolarHBondContact O-CG2 3.49Å; M151-V155 PolarHBondContact O-N 3.06Å; M151-P174 HydrophobicContact CE-CB 4.09Å; M151-P174 HydrophobicContact SD-CB 3.3Å; M151-P174 WeakPolarHBondContact SD-CB 3.32Å; M151-P174 HydrophobicContact SD-CG 3.47Å; M151-P174 WeakPolarHBondContact SD-CG 3.44Å; M151-F175 HydrophobicContact CE-CE2 3.5Å; M151-F175 VanDerWaalsContact CE-CE2 3.5Å; M151-F175 HydrophobicContact CE-CZ 3.77Å; M151-F175 HydrophobicContact SD-CE2 4.01Å; M151-N186 HydrophobicContact CE-CB 3.96Å; M151-N186 WeakPolarHBondContact CE-OD1 3.2Å; M151-I190 HydrophobicContact CE-CD1 4.29Å; M151-I190 HydrophobicContact CE-CG1 4.3Å
152L95.1Very high93.3Very high66 Ų6638 Ų3835%0.34619%0.19SC..Hα-helixtrans-59.9-41.3177.8175.7140.8000111.6I125 V148 M149 V155 F156I125-L152 HydrophobicContact CD1-CB 4.08Å; I125-L152 HydrophobicContact CD1-CD1 4.46Å; I125-L152 HydrophobicContact CD1-CG 4.43Å; I125-L152 HydrophobicContact CG2-CB 4.49Å; I125-L152 HydrophobicContact CG2-CD1 4.02Å; V148-L152 WeakPolarHBondContact O-CB 3.33Å; V148-L152 PolarHBondContact O-N 3.49Å; M149-L152 HydrophobicContact CE-CD2 4.04Å; M149-L152 PolarHBondContact O-N 3.1Å; L152-V155 PolarHBondContact O-N 3.24Å; L152-F156 VanDerWaalsContact O-CB 3.27Å; L152-F156 WeakPolarHBondContact O-CB 3.18Å; L152-F156 PolarHBondContact O-N 3.48Å
153F95.1Very high93.7Very high120 Ų12036.3 Ų36.353%0.52619%0.187SC..Hα-helixtrans-63.5-45.7177.5-177-99.5000111.8M149 M150 M151 V155 F156 E157 I171M149-F153 WeakPolarHBondContact O-CB 3.38Å; M149-F153 PolarHBondContact O-N 3.48Å; M150-F153 PolarHBondContact O-N 3Å; M151-F153 VanDerWaalsContact C-N 3.3Å; M151-F153 PolarHBondContact O-N 2.92Å; F153-V155 PolarHBondContact O-N 3.38Å; F153-F156 PolarHBondContact O-N 2.85Å; F153-E157 VanDerWaalsContact O-CB 3.28Å; F153-E157 WeakPolarHBondContact O-CB 3.38Å; F153-E157 PolarHBondContact O-N 3.42Å; F153-I171 HydrophobicContact CE1-CD1 3.97Å
154H95.2Very high94Very high44 Ų4434.8 Ų34.820%0.20419%0.185CC..Hα-helixtrans-61.8-43177.3-68.8171.4000112.7M150 M151 N158 I171 P174M150-H154 PolarHBondContact O-N 2.81Å; M151-H154 PolarHBondContact O-N 3.5Å; H154-N158 WeakPolarHBondContact O-CB 3.28Å; H154-N158 PolarHBondContact O-N 3.12Å; H154-I171 HydrophobicContact CB-CG2 3.79Å; H154-I171 VanDerWaalsContact CD2-CG2 3.49Å; H154-I171 WeakPolarHBondContact CD2-CG2 3.37Å; H154-P174 HydrophobicContact CB-CG 3.77Å
155V96.5Very high94.2Very high13 Ų1340 Ų408%0.07921%0.212CC..Hα-helixtrans-64.8-47.6177.5173.80000111Y121 M151 L152 F153 I159 L173 P174Y121-V155 HydrophobicContact CD1-CB 4.46Å; Y121-V155 HydrophobicContact CD1-CG1 4.17Å; Y121-V155 HydrophobicContact CD1-CG2 3.41Å; Y121-V155 VanDerWaalsContact CD1-CG2 3.41Å; Y121-V155 HydrophobicContact CD2-CG1 3.99Å; Y121-V155 HydrophobicContact CD2-CG2 4.5Å; Y121-V155 HydrophobicContact CE1-CG2 3.67Å; Y121-V155 HydrophobicContact CG-CG1 3.74Å; Y121-V155 HydrophobicContact CG-CG2 3.89Å; M151-V155 WeakPolarHBondContact O-CG2 3.49Å; M151-V155 PolarHBondContact O-N 3.06Å; L152-V155 PolarHBondContact O-N 3.24Å; F153-V155 PolarHBondContact O-N 3.38Å; V155-I159 HydrophobicContact CG1-CD1 3.85Å; V155-I159 WeakPolarHBondContact O-CB 3.4Å; V155-I159 WeakPolarHBondContact O-CG1 3.38Å; V155-I159 PolarHBondContact O-N 3.26Å; V155-L173 HydrophobicContact CG1-CD1 4.39Å; V155-L173 HydrophobicContact CG2-CD1 4.42Å; V155-P174 HydrophobicContact CG2-CG 4.13Å
156F96.3Very high94.3Very high116 Ų11641.9 Ų41.951%0.50922%0.221SC..Hα-helixtrans-65.1-44.8-178.5179.2-107000112L152 F153 G160 L166L152-F156 VanDerWaalsContact O-CB 3.27Å; L152-F156 WeakPolarHBondContact O-CB 3.18Å; L152-F156 PolarHBondContact O-N 3.48Å; F153-F156 PolarHBondContact O-N 2.85Å; F156-G160 WeakPolarHBondContact O-CA 3.24Å; F156-G160 PolarHBondContact O-N 3.28Å; F156-L166 HydrophobicContact CD1-CD1 3.86Å; F156-L166 HydrophobicContact CE1-CD1 3.62Å; F156-L166 HydrophobicContact CZ-CD1 4.28Å
157E95.3Very high94.3Very high9 Ų942 Ų424%0.04222%0.215CC..Hα-helixtrans-64.9-48.8178.3-168-73.5157.200111F153 I159 G160 A161 T169 I171F153-E157 VanDerWaalsContact O-CB 3.28Å; F153-E157 WeakPolarHBondContact O-CB 3.38Å; F153-E157 PolarHBondContact O-N 3.42Å; E157-I159 PolarHBondContact O-N 3.19Å; E157-G160 PolarHBondContact O-N 3.44Å; E157-A161 WeakPolarHBondContact O-CB 3.44Å; E157-A161 PolarHBondContact O-N 3.22Å; E157-T169 HydrophobicContact CG-CG2 4.17Å; E157-T169 WeakPolarHBondContact OE1-CB 3.32Å; E157-T169 WeakPolarHBondContact OE1-CG2 3.42Å; E157-T169 PolarHBondContact OE1-N 3.4Å; E157-T169 VanDerWaalsContact OE1-N 3.13Å; E157-T169 PolarHBondContact OE1-OG1 3.41Å; E157-T169 PolarHBondContact OE2-OG1 3.42Å; E157-I171 HydrophobicContact CB-CD1 4.32Å; E157-I171 HydrophobicContact CG-CD1 4.08Å; E157-I171 WeakPolarHBondContact OE2-CB 3.18Å
158N95.9Very high94.2Very high2 Ų241.7 Ų41.71%0.01121%0.214CC..Hα-helixtrans-61.9-51.7-176.9179.8-80.3000111.8D99 H154 N162 I171 L173D99-N158 PolarHBondContact O-ND2 3.49Å; H154-N158 WeakPolarHBondContact O-CB 3.28Å; H154-N158 PolarHBondContact O-N 3.12Å; N158-N162 WeakPolarHBondContact O-CB 3.49Å; N158-N162 PolarHBondContact O-N 2.86Å; N158-N162 VanDerWaalsContact O-N 3.1Å; N158-N162 PolarHBondContact O-ND2 2.94Å; N158-N162 PolarHBondContact OD1-ND2 2.88Å; N158-N162 VanDerWaalsContact OD1-ND2 3.1Å; N158-I171 PolarHBondContact ND2-O 3.42Å; N158-L173 HydrophobicContact CB-CB 4.39Å; N158-L173 HydrophobicContact CB-CD1 4.08Å; N158-L173 PolarHBondContact ND2-N 3.19Å
159I96.6Very high94Very high15 Ų1544.6 Ų44.68%0.07723%0.232CC..Hα-helixtrans-66.4-46.4-179.5-64.1179.7000109.5F102 I118 V155 E157 A161 N162 I163 L173F102-I159 HydrophobicContact CD1-CG2 4.2Å; F102-I159 HydrophobicContact CD2-CD1 4.24Å; F102-I159 HydrophobicContact CD2-CG1 3.93Å; F102-I159 HydrophobicContact CD2-CG2 4.48Å; F102-I159 HydrophobicContact CE1-CG2 3.84Å; F102-I159 HydrophobicContact CE2-CD1 4.09Å; F102-I159 HydrophobicContact CE2-CG1 4.15Å; F102-I159 HydrophobicContact CE2-CG2 4.14Å; F102-I159 HydrophobicContact CG-CG1 4.23Å; F102-I159 HydrophobicContact CZ-CG2 3.81Å; I118-I159 HydrophobicContact CD1-CG2 4.26Å; I118-I159 HydrophobicContact CG1-CD1 3.87Å; I118-I159 HydrophobicContact CG1-CG2 4.43Å; V155-I159 HydrophobicContact CG1-CD1 3.85Å; V155-I159 WeakPolarHBondContact O-CB 3.4Å; V155-I159 WeakPolarHBondContact O-CG1 3.38Å; V155-I159 PolarHBondContact O-N 3.26Å; E157-I159 PolarHBondContact O-N 3.19Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 PolarHBondContact O-N 2.91Å; I159-N162 PolarHBondContact O-N 3.48Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 2.84Å; I159-I163 VanDerWaalsContact O-N 3.12Å; I159-L173 HydrophobicContact CD1-CD1 4.18Å; I159-L173 HydrophobicContact CG1-CD1 3.9Å
160G96.3Very high93.8Very high3 Ų342.2 Ų42.23%0.03123%0.23CC..Hα-helixtrans-58.9-41.3-179.700000112.6F156 E157 G164 L165 L166F156-G160 WeakPolarHBondContact O-CA 3.24Å; F156-G160 PolarHBondContact O-N 3.28Å; E157-G160 PolarHBondContact O-N 3.44Å; G160-G164 PolarHBondContact O-N 2.77Å; G160-L165 WeakPolarHBondContact O-CA 3.32Å; G160-L165 WeakPolarHBondContact O-CB 3.27Å; G160-L165 PolarHBondContact O-N 3.47Å; G160-L166 PolarHBondContact O-N 2.85Å
161A94.2Very high93.8Very high2 Ų240.1 Ų40.12%0.01722%0.22CC..Hα-helixtrans-71.3-39.1178.400000112.4L69 E157 I159 I163 G164 L166 L168L69-A161 WeakPolarHBondContact CD1-O 3.15Å; E157-A161 WeakPolarHBondContact O-CB 3.44Å; E157-A161 PolarHBondContact O-N 3.22Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 PolarHBondContact O-N 2.91Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 3.28Å; A161-G164 PolarHBondContact O-N 2.84Å; A161-G164 VanDerWaalsContact O-N 3.14Å; A161-L166 VanDerWaalsContact CA-O 3.31Å; A161-L166 WeakPolarHBondContact CA-O 3.49Å; A161-L166 HydrophobicContact CB-CB 4.32Å; A161-L168 HydrophobicContact CB-CD2 3.97Å
162N94.5Very high93.8Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-63.2-30.6176.8-80.9-41.9000113.6I76 D99 M100 F102 T103 N158 I159I76-N162 WeakPolarHBondContact CD1-O 3.36Å; D99-N162 PolarHBondContact O-ND2 3.16Å; M100-N162 WeakPolarHBondContact CE-OD1 3.43Å; M100-N162 PolarHBondContact SD-OD1 2.9Å; F102-N162 HydrophobicContact CB-CB 4.16Å; F102-N162 WeakPolarHBondContact CB-ND2 3.43Å; F102-N162 HydrophobicContact CD1-CB 4.11Å; T103-N162 HydrophobicContact CG2-CB 4.25Å; N158-N162 WeakPolarHBondContact O-CB 3.49Å; N158-N162 PolarHBondContact O-N 2.86Å; N158-N162 VanDerWaalsContact O-N 3.1Å; N158-N162 PolarHBondContact O-ND2 2.94Å; N158-N162 PolarHBondContact OD1-ND2 2.88Å; N158-N162 VanDerWaalsContact OD1-ND2 3.1Å; I159-N162 PolarHBondContact O-N 3.48Å
163I94.4Very high93.7Very high69 Ų6938.2 Ų38.235%0.35421%0.212SC..THydrogen-bonded Turntrans-97.46.5176.169178.2000113.7I76 F102 I159 A161 L165I76-I163 HydrophobicContact CD1-CG2 4.02Å; F102-I163 HydrophobicContact CD1-CG2 4.2Å; F102-I163 HydrophobicContact CE1-CG2 3.74Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 2.84Å; I159-I163 VanDerWaalsContact O-N 3.12Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 3.28Å; I163-L165 HydrophobicContact CD1-CD1 3.62Å; I163-L165 HydrophobicContact CD1-CG 3.93Å; I163-L165 HydrophobicContact CG1-CB 4.4Å; I163-L165 HydrophobicContact CG1-CD1 4.11Å; I163-L165 HydrophobicContact CG1-CG 3.91Å; I163-L165 PolarHBondContact O-N 3.05Å
164G92.6Very high93.7Very high22 Ų2232.5 Ų32.523%0.22719%0.187CC..THydrogen-bonded Turntrans78.510.2176.700000116W55 G160 A161W55-G164 PolarHBondContact NE1-O 3.26Å; G160-G164 PolarHBondContact O-N 2.77Å; A161-G164 PolarHBondContact O-N 2.84Å; A161-G164 VanDerWaalsContact O-N 3.14Å
165L93.5Very high93.5Very high110 Ų11034.1 Ų34.158%0.57619%0.193SC*.SBendtrans-72.2-30.8171.9-70.6-180000112.4W55 G160 I163W55-L165 PolarHBondContact NE1-O 3.04Å; G160-L165 WeakPolarHBondContact O-CA 3.32Å; G160-L165 WeakPolarHBondContact O-CB 3.27Å; G160-L165 PolarHBondContact O-N 3.47Å; I163-L165 HydrophobicContact CD1-CD1 3.62Å; I163-L165 HydrophobicContact CD1-CG 3.93Å; I163-L165 HydrophobicContact CG1-CB 4.4Å; I163-L165 HydrophobicContact CG1-CD1 4.11Å; I163-L165 HydrophobicContact CG1-CG 3.91Å; I163-L165 PolarHBondContact O-N 3.05Å
166L92.7Very high93.4Very high47 Ų4736.9 Ų36.925%0.24621%0.206CC..SBendtrans-128.9158.3-178-64.3172.8000110.8W55 F156 G160 A161W55-L166 VanDerWaalsContact CD1-O 3.3Å; F156-L166 HydrophobicContact CD1-CD1 3.86Å; F156-L166 HydrophobicContact CE1-CD1 3.62Å; F156-L166 HydrophobicContact CZ-CD1 4.28Å; G160-L166 PolarHBondContact O-N 2.85Å; A161-L166 VanDerWaalsContact CA-O 3.31Å; A161-L166 WeakPolarHBondContact CA-O 3.49Å; A161-L166 HydrophobicContact CB-CB 4.32Å
167P90.2Very high93.2Very high42 Ų4231.5 Ų31.527%0.27318%0.183SC..  trans-70146172.629.3-35.2000111.1W55 T169W55-P167 HydrophobicContact CB-CB 4Å; W55-P167 HydrophobicContact CD2-CB 4.46Å; W55-P167 HydrophobicContact CG-CB 4.05Å; P167-T169 PolarHBondContact O-N 2.8Å
168L90.5Very high92.8Very high21 Ų2137.6 Ų37.611%0.1121%0.212CC..  trans-62.3113.9177.2-64.7173.8000111.6R51 Q68 L69 M100 A161R51-L168 WeakPolarHBondContact CD-O 3.26Å; R51-L168 PolarHBondContact NH1-O 3.12Å; Q68-L168 HydrophobicContact CB-CD1 4.28Å; Q68-L168 HydrophobicContact CG-CD1 4.19Å; L69-L168 HydrophobicContact CB-CD1 3.84Å; L69-L168 HydrophobicContact CD1-CD1 4.32Å; L69-L168 HydrophobicContact CD1-CD2 4.29Å; L69-L168 HydrophobicContact CD1-CG 4.22Å; M100-L168 HydrophobicContact CE-CD2 3.52Å; M100-L168 HydrophobicContact SD-CD2 3.98Å; A161-L168 HydrophobicContact CB-CD2 3.97Å
169T89.4Confident92.3Very high66 Ų6638.3 Ų38.341%0.40522%0.22SC..  trans-98.6-30.5174710000113.7R51 E157 P167 I171R51-T169 PolarHBondContact NH1-O 3.49Å; R51-T169 VanDerWaalsContact NH1-O 3.1Å; E157-T169 HydrophobicContact CG-CG2 4.17Å; E157-T169 WeakPolarHBondContact OE1-CB 3.32Å; E157-T169 WeakPolarHBondContact OE1-CG2 3.42Å; E157-T169 PolarHBondContact OE1-N 3.4Å; E157-T169 VanDerWaalsContact OE1-N 3.13Å; E157-T169 PolarHBondContact OE1-OG1 3.41Å; E157-T169 PolarHBondContact OE2-OG1 3.42Å; P167-T169 PolarHBondContact O-N 2.8Å; T169-I171 WeakPolarHBondContact OG1-CD1 3.09Å; T169-I171 WeakPolarHBondContact OG1-CG1 3.33Å
170G89.2Confident91.5Very high38 Ų3840.2 Ų40.239%0.39224%0.243SC..  trans9621.3-177.700000114.3D99D99-G170 WeakPolarHBondContact OD2-CA 3.3Å
171I92.1Very high91Very high35 Ų3545.2 Ų45.218%0.17928%0.278CS..PPolyproline II helixtrans-78.5128.8174.7-63.9167.7000108.8F153 H154 E157 N158 T169F153-I171 HydrophobicContact CE1-CD1 3.97Å; H154-I171 HydrophobicContact CB-CG2 3.79Å; H154-I171 VanDerWaalsContact CD2-CG2 3.49Å; H154-I171 WeakPolarHBondContact CD2-CG2 3.37Å; E157-I171 HydrophobicContact CB-CD1 4.32Å; E157-I171 HydrophobicContact CG-CD1 4.08Å; E157-I171 WeakPolarHBondContact OE2-CB 3.18Å; N158-I171 PolarHBondContact ND2-O 3.42Å; T169-I171 WeakPolarHBondContact OG1-CD1 3.09Å; T169-I171 WeakPolarHBondContact OG1-CG1 3.33Å
172P93.5Very high90.6Very high28 Ų2846.5 Ų46.518%0.18229%0.286CS..PPolyproline II helixtrans-73.1148.717729.7-35.2000112.2P174 S182P172-P174 WeakPolarHBondContact O-CD 3.35Å; P172-S182 WeakPolarHBondContact CG-OG 3.17Å
173L95Very high90.2Very high1 Ų149.3 Ų49.31%0.00530%0.301CS..PPolyproline II helixtrans-72116.3174.1-167.661.4000110I101 Y121 V155 N158 I159 F175 I176 S177I101-L173 HydrophobicContact CG2-CB 3.97Å; I101-L173 HydrophobicContact CG2-CD2 4.05Å; Y121-L173 HydrophobicContact CE2-CD1 3.86Å; Y121-L173 HydrophobicContact CE2-CD2 3.99Å; Y121-L173 HydrophobicContact CE2-CG 3.94Å; Y121-L173 WeakPolarHBondContact OH-CG 3.36Å; V155-L173 HydrophobicContact CG1-CD1 4.39Å; V155-L173 HydrophobicContact CG2-CD1 4.42Å; N158-L173 HydrophobicContact CB-CB 4.39Å; N158-L173 HydrophobicContact CB-CD1 4.08Å; N158-L173 PolarHBondContact ND2-N 3.19Å; I159-L173 HydrophobicContact CD1-CD1 4.18Å; I159-L173 HydrophobicContact CG1-CD1 3.9Å; L173-F175 PolarHBondContact O-N 2.74Å; L173-I176 HydrophobicContact CD2-CB 4.13Å; L173-I176 HydrophobicContact CD2-CD1 4.11Å; L173-I176 HydrophobicContact CD2-CG2 4.31Å; L173-I176 HydrophobicContact CG-CB 4.41Å; L173-I176 PolarHBondContact O-N 3.15Å; L173-S177 WeakPolarHBondContact CA-OG 3.49Å; L173-S177 VanDerWaalsContact CB-OG 3.28Å; L173-S177 WeakPolarHBondContact CB-OG 3.46Å; L173-S177 PolarHBondContact N-OG 3.21Å; L173-S177 WeakPolarHBondContact O-CB 3.36Å; L173-S177 PolarHBondContact O-N 2.87Å
174P93.2Very high89.8Confident0 Ų051 Ų510%031%0.31CS..THydrogen-bonded Turntrans-55.3131.5-173-29.737.8000113.5Y121 M151 H154 V155 P172 I176Y121-P174 WeakPolarHBondContact CE1-O 3.27Å; Y121-P174 PolarHBondContact OH-O 2.96Å; M151-P174 HydrophobicContact CE-CB 4.09Å; M151-P174 HydrophobicContact SD-CB 3.3Å; M151-P174 WeakPolarHBondContact SD-CB 3.32Å; M151-P174 HydrophobicContact SD-CG 3.47Å; M151-P174 WeakPolarHBondContact SD-CG 3.44Å; H154-P174 HydrophobicContact CB-CG 3.77Å; V155-P174 HydrophobicContact CG2-CG 4.13Å; P172-P174 WeakPolarHBondContact O-CD 3.35Å; P174-I176 PolarHBondContact O-N 3.43Å; P174-I176 VanDerWaalsContact O-N 3.12Å
175F92.1Very high89.6Confident77 Ų7751.8 Ų51.834%0.33832%0.318SS..THydrogen-bonded Turntrans69.2-12.4-179.3-45.5-69000117.8L124 M151 L173 N186 M187 I190L124-F175 HydrophobicContact CD2-CD2 4.32Å; L124-F175 HydrophobicContact CD2-CE2 4.11Å; M151-F175 HydrophobicContact CE-CE2 3.5Å; M151-F175 VanDerWaalsContact CE-CE2 3.5Å; M151-F175 HydrophobicContact CE-CZ 3.77Å; M151-F175 HydrophobicContact SD-CE2 4.01Å; L173-F175 PolarHBondContact O-N 2.74Å; F175-N186 HydrophobicContact CD1-CB 4.48Å; F175-N186 HydrophobicContact CE1-CB 3.72Å; F175-N186 HydrophobicContact CE2-CB 4.3Å; F175-N186 HydrophobicContact CZ-CB 3.59Å; F175-M187 HydrophobicContact CE1-CG 4.08Å; F175-I190 HydrophobicContact CE1-CD1 4.27Å; F175-I190 HydrophobicContact CE2-CD1 3.52Å; F175-I190 HydrophobicContact CZ-CD1 3.21Å; F175-I190 HydrophobicContact CZ-CG1 3.92Å
176I93.4Very high89.4Confident71 Ų7146.8 Ų46.836%0.36429%0.291SS..THydrogen-bonded Turntrans-109.2-45.5179.4-65.2-179.7000111.4I101 I105 V117 Y121 L173 P174I101-I176 HydrophobicContact CG1-CG2 3.86Å; I101-I176 HydrophobicContact CG2-CG2 3.88Å; I105-I176 HydrophobicContact CD1-CG2 4.1Å; V117-I176 HydrophobicContact CG1-CD1 3.86Å; Y121-I176 HydrophobicContact CE2-CD1 3.84Å; Y121-I176 VanDerWaalsContact OH-CD1 3.24Å; Y121-I176 WeakPolarHBondContact OH-CD1 3.02Å; Y121-I176 VanDerWaalsContact OH-CG1 3.28Å; Y121-I176 WeakPolarHBondContact OH-CG1 3.39Å; L173-I176 HydrophobicContact CD2-CB 4.13Å; L173-I176 HydrophobicContact CD2-CD1 4.11Å; L173-I176 HydrophobicContact CD2-CG2 4.31Å; L173-I176 HydrophobicContact CG-CB 4.41Å; L173-I176 PolarHBondContact O-N 3.15Å; P174-I176 PolarHBondContact O-N 3.43Å; P174-I176 VanDerWaalsContact O-N 3.12Å
177S93Very high89.3Confident3 Ų349.7 Ų49.72%0.02131%0.305CS..SBendtrans-66.8145.6-179.7-730000112.5S98 I101 L173 G179S98-S177 WeakPolarHBondContact O-CB 3.38Å; S98-S177 PolarHBondContact O-OG 2.99Å; I101-S177 WeakPolarHBondContact CG2-OG 3.4Å; L173-S177 WeakPolarHBondContact CA-OG 3.49Å; L173-S177 VanDerWaalsContact CB-OG 3.28Å; L173-S177 WeakPolarHBondContact CB-OG 3.46Å; L173-S177 PolarHBondContact N-OG 3.21Å; L173-S177 WeakPolarHBondContact O-CB 3.36Å; L173-S177 PolarHBondContact O-N 2.87Å; S177-G179 PolarHBondContact O-N 2.61Å
178Q87.6Confident89.2Confident137 Ų13753.2 Ų53.264%0.6432%0.32SS*.SBendtrans-7196.1169.8-168.8-175.413.100110.2E97 S98E97-Q178 HydrophobicContact CB-CB 4.19Å; E97-Q178 VanDerWaalsContact CB-OE1 3.28Å; E97-Q178 WeakPolarHBondContact O-CB 3.44Å; E97-Q178 PolarHBondContact O-N 3.42Å; S98-Q178 PolarHBondContact OG-O 3.39Å
179G83.7Confident89Confident18 Ų1852.6 Ų52.619%0.18632%0.32CS..  trans-156.198.6172.500000111S177 S181 S182 I183S177-G179 PolarHBondContact O-N 2.61Å; G179-S181 PolarHBondContact O-N 3.33Å; G179-S182 WeakPolarHBondContact O-CB 3.47Å; G179-S182 PolarHBondContact O-N 3Å; G179-I183 WeakPolarHBondContact O-CG1 3.31Å; G179-I183 PolarHBondContact O-N 3.33Å
180G80.9Confident88.9Confident54 Ų5451 Ų5156%0.55731%0.308SS*.Hα-helixtrans-54.2-50.1-172.500000113.7S182 I183 L184G180-S182 VanDerWaalsContact C-N 3.32Å; G180-S182 PolarHBondContact O-N 2.8Å; G180-I183 PolarHBondContact O-N 2.91Å; G180-L184 WeakPolarHBondContact O-CG 3.44Å; G180-L184 PolarHBondContact O-N 3.03Å
181S85.6Confident88.7Confident109 Ų10954.1 Ų54.176%0.76232%0.316SS*.Hα-helixtrans-65.2-35177.4-47.90000112.8G179 G185G179-S181 PolarHBondContact O-N 3.33Å; S181-G185 PolarHBondContact O-N 2.99Å
182S85.8Confident88.3Confident28 Ų2857.5 Ų57.520%0.19633%0.327CS..Hα-helixtrans-68.8-44177.4-1790000111.3P172 G179 G180 G185 N186P172-S182 WeakPolarHBondContact CG-OG 3.17Å; G179-S182 WeakPolarHBondContact O-CB 3.47Å; G179-S182 PolarHBondContact O-N 3Å; G180-S182 VanDerWaalsContact C-N 3.32Å; G180-S182 PolarHBondContact O-N 2.8Å; S182-G185 PolarHBondContact O-N 2.73Å; S182-N186 VanDerWaalsContact O-CB 3.32Å; S182-N186 WeakPolarHBondContact O-CB 3.14Å; S182-N186 PolarHBondContact O-N 3.1Å; S182-N186 PolarHBondContact O-ND2 3.2Å; S182-N186 PolarHBondContact OG-ND2 3.34Å; S182-N186 VanDerWaalsContact OG-ND2 3.17Å
183I85.7Confident87.8Confident60 Ų6056.3 Ų56.331%0.30832%0.319SS..Hα-helixtrans-60.1-51176.6-67.5167.9000109.6G179 G180 G185 N186 M187G179-I183 WeakPolarHBondContact O-CG1 3.31Å; G179-I183 PolarHBondContact O-N 3.33Å; G180-I183 PolarHBondContact O-N 2.91Å; I183-G185 PolarHBondContact O-N 3.42Å; I183-N186 PolarHBondContact O-N 2.89Å; I183-M187 HydrophobicContact CG2-CG 4.34Å; I183-M187 HydrophobicContact CG2-SD 3.87Å; I183-M187 WeakPolarHBondContact O-CB 3.21Å; I183-M187 VanDerWaalsContact O-CG 3.27Å; I183-M187 WeakPolarHBondContact O-CG 3.17Å; I183-M187 PolarHBondContact O-N 2.79Å
184L86.6Confident87.1Confident105 Ų10560.7 Ų60.755%0.5534%0.341SS..Hα-helixtrans-59.8-46.6178.6-71.1173.9000112.3G180 N186 M187 I188G180-L184 WeakPolarHBondContact O-CG 3.44Å; G180-L184 PolarHBondContact O-N 3.03Å; L184-N186 PolarHBondContact O-N 3.14Å; L184-M187 PolarHBondContact O-N 3.19Å; L184-I188 VanDerWaalsContact O-CG1 3.32Å; L184-I188 WeakPolarHBondContact O-CG1 3.49Å; L184-I188 PolarHBondContact O-N 3.13Å
185G88.8Confident86.3Confident37 Ų3762.4 Ų62.438%0.38136%0.359SS..Hα-helixtrans-62-41.7178.500000112.9S181 S182 I183 G189S181-G185 PolarHBondContact O-N 2.99Å; S182-G185 PolarHBondContact O-N 2.73Å; I183-G185 PolarHBondContact O-N 3.42Å; G185-G189 PolarHBondContact O-N 3.33Å
186N89.2Confident85.3Confident5 Ų559.9 Ų59.93%0.02735%0.349CS..Hα-helixtrans-69.1-36.7176.2-75.9-58.6000112.3M151 F175 S182 I183 L184 G189 I190M151-N186 HydrophobicContact CE-CB 3.96Å; M151-N186 WeakPolarHBondContact CE-OD1 3.2Å; F175-N186 HydrophobicContact CD1-CB 4.48Å; F175-N186 HydrophobicContact CE1-CB 3.72Å; F175-N186 HydrophobicContact CE2-CB 4.3Å; F175-N186 HydrophobicContact CZ-CB 3.59Å; S182-N186 VanDerWaalsContact O-CB 3.32Å; S182-N186 WeakPolarHBondContact O-CB 3.14Å; S182-N186 PolarHBondContact O-N 3.1Å; S182-N186 PolarHBondContact O-ND2 3.2Å; S182-N186 PolarHBondContact OG-ND2 3.34Å; S182-N186 VanDerWaalsContact OG-ND2 3.17Å; I183-N186 PolarHBondContact O-N 2.89Å; L184-N186 PolarHBondContact O-N 3.14Å; N186-G189 PolarHBondContact O-N 3.5Å; N186-I190 WeakPolarHBondContact O-CG1 3.41Å; N186-I190 PolarHBondContact O-N 3.14Å
187M89.2Confident84.2Confident108 Ų10857.2 Ų57.253%0.53234%0.335SS..Hα-helixtrans-63.3-48.4174.2-74.3178.87700111.4F175 I183 L184 G189 I190 D191F175-M187 HydrophobicContact CE1-CG 4.08Å; I183-M187 HydrophobicContact CG2-CG 4.34Å; I183-M187 HydrophobicContact CG2-SD 3.87Å; I183-M187 WeakPolarHBondContact O-CB 3.21Å; I183-M187 VanDerWaalsContact O-CG 3.27Å; I183-M187 WeakPolarHBondContact O-CG 3.17Å; I183-M187 PolarHBondContact O-N 2.79Å; L184-M187 PolarHBondContact O-N 3.19Å; M187-G189 VanDerWaalsContact C-N 3.31Å; M187-G189 PolarHBondContact O-N 2.8Å; M187-I190 PolarHBondContact O-N 3.01Å; M187-D191 VanDerWaalsContact O-CB 3.32Å; M187-D191 WeakPolarHBondContact O-CB 3.43Å; M187-D191 PolarHBondContact O-N 2.57Å
188I87.9Confident82.4Confident116 Ų11658.7 Ų58.760%0.59535%0.348SS*.Hα-helixtrans-60.1-42.7175.9-67.6166000110.5L184 D191 Y192L184-I188 VanDerWaalsContact O-CG1 3.32Å; L184-I188 WeakPolarHBondContact O-CG1 3.49Å; L184-I188 PolarHBondContact O-N 3.13Å; I188-D191 PolarHBondContact O-N 3.47Å; I188-Y192 VanDerWaalsContact O-CB 3.23Å; I188-Y192 WeakPolarHBondContact O-CB 3.45Å; I188-Y192 PolarHBondContact O-N 2.84Å
189G86.8Confident81.1Confident9 Ų959.9 Ų59.99%0.09335%0.354CS..Hα-helixtrans-61-45.817800000112.9G185 N186 M187 C193G185-G189 PolarHBondContact O-N 3.33Å; N186-G189 PolarHBondContact O-N 3.5Å; M187-G189 VanDerWaalsContact C-N 3.31Å; M187-G189 PolarHBondContact O-N 2.8Å; G189-C193 PolarHBondContact O-N 2.65Å; G189-C193 PolarHBondContact O-SG 3.37Å; G189-C193 VanDerWaalsContact O-SG 3.36Å
190I86.9Confident79.6Confident33 Ų3362.7 Ų62.717%0.16936%0.363CS..Hα-helixtrans-66-45.9176.6-69.7-168000111.1L124 M128 M151 F175 N186 M187 Y192 C193 M194L124-I190 HydrophobicContact CD1-CD1 4.35Å; M128-I190 HydrophobicContact CE-CG1 3.91Å; M128-I190 HydrophobicContact SD-CD1 4.24Å; M128-I190 HydrophobicContact SD-CG1 4.24Å; M151-I190 HydrophobicContact CE-CD1 4.29Å; M151-I190 HydrophobicContact CE-CG1 4.3Å; F175-I190 HydrophobicContact CE1-CD1 4.27Å; F175-I190 HydrophobicContact CE2-CD1 3.52Å; F175-I190 HydrophobicContact CZ-CD1 3.21Å; F175-I190 HydrophobicContact CZ-CG1 3.92Å; N186-I190 WeakPolarHBondContact O-CG1 3.41Å; N186-I190 PolarHBondContact O-N 3.14Å; M187-I190 PolarHBondContact O-N 3.01Å; I190-Y192 VanDerWaalsContact C-N 3.31Å; I190-Y192 PolarHBondContact O-N 2.79Å; I190-C193 WeakPolarHBondContact O-CB 3.46Å; I190-C193 PolarHBondContact O-N 2.72Å; I190-M194 HydrophobicContact CG2-CG 4.34Å; I190-M194 HydrophobicContact CG2-SD 3.74Å; I190-M194 WeakPolarHBondContact O-CG 3.41Å; I190-M194 PolarHBondContact O-N 3.35Å
191D85.4Confident78.2Confident103 Ų10363.6 Ų63.655%0.55137%0.365SS*.Hα-helixtrans-58.7-44.2178.9-174.661000111.2M187 I188 C193 M194 G195M187-D191 VanDerWaalsContact O-CB 3.32Å; M187-D191 WeakPolarHBondContact O-CB 3.43Å; M187-D191 PolarHBondContact O-N 2.57Å; I188-D191 PolarHBondContact O-N 3.47Å; D191-C193 PolarHBondContact O-N 3.05Å; D191-M194 PolarHBondContact O-N 3.09Å; D191-G195 PolarHBondContact O-N 2.86Å
192Y84.3Confident77Confident105 Ų10563.8 Ų63.841%0.41236%0.357SS..Hα-helixtrans-60.9-46.4174.5-170.9-97.8000112I143 I147 I188 I190 M194 G195 L196I143-Y192 HydrophobicContact CB-CE1 4.46Å; I143-Y192 HydrophobicContact CG2-CD1 4.31Å; I143-Y192 HydrophobicContact CG2-CE1 3.56Å; I147-Y192 HydrophobicContact CD1-CD1 3.66Å; I147-Y192 HydrophobicContact CD1-CE1 4.43Å; I188-Y192 VanDerWaalsContact O-CB 3.23Å; I188-Y192 WeakPolarHBondContact O-CB 3.45Å; I188-Y192 PolarHBondContact O-N 2.84Å; I190-Y192 VanDerWaalsContact C-N 3.31Å; I190-Y192 PolarHBondContact O-N 2.79Å; Y192-M194 VanDerWaalsContact C-N 3.27Å; Y192-M194 PolarHBondContact O-N 2.88Å; Y192-G195 PolarHBondContact O-N 3.37Å; Y192-L196 HydrophobicContact CD1-CD1 3.8Å; Y192-L196 HydrophobicContact CD1-CG 4.18Å; Y192-L196 HydrophobicContact CE1-CD1 3.4Å; Y192-L196 HydrophobicContact CE1-CD2 4.2Å; Y192-L196 HydrophobicContact CE1-CG 3.9Å; Y192-L196 VanDerWaalsContact O-CG 3.29Å; Y192-L196 WeakPolarHBondContact O-CG 3.29Å; Y192-L196 PolarHBondContact O-N 3.48Å
193C83.3Confident75.6Confident3 Ų366.1 Ų66.12%0.0237%0.371CS..Hα-helixtrans-57.3-40.6174.7-75.20000112.6L131 M135 G189 I190 D191L131-C193 HydrophobicContact CD2-CB 4.04Å; L131-C193 VanDerWaalsContact CD2-O 3.28Å; L131-C193 WeakPolarHBondContact CD2-O 3.46Å; M135-C193 WeakPolarHBondContact CE-O 3.46Å; G189-C193 PolarHBondContact O-N 2.65Å; G189-C193 PolarHBondContact O-SG 3.37Å; G189-C193 VanDerWaalsContact O-SG 3.36Å; I190-C193 WeakPolarHBondContact O-CB 3.46Å; I190-C193 PolarHBondContact O-N 2.72Å; D191-C193 PolarHBondContact O-N 3.05Å
194M79.6Confident74.1Confident94 Ų9466.7 Ų66.746%0.46337%0.374SS..Hα-helixtrans-68.6-44.4177.3-67.9174.86100111L131 I190 D191 Y192 L196 T197 M200L131-M194 HydrophobicContact CD2-CG 4.41Å; I190-M194 HydrophobicContact CG2-CG 4.34Å; I190-M194 HydrophobicContact CG2-SD 3.74Å; I190-M194 WeakPolarHBondContact O-CG 3.41Å; I190-M194 PolarHBondContact O-N 3.35Å; D191-M194 PolarHBondContact O-N 3.09Å; Y192-M194 VanDerWaalsContact C-N 3.27Å; Y192-M194 PolarHBondContact O-N 2.88Å; M194-L196 PolarHBondContact O-N 3.2Å; M194-T197 WeakPolarHBondContact O-CB 3.49Å; M194-T197 PolarHBondContact O-N 3.31Å; M194-T197 VanDerWaalsContact O-N 3.1Å; M194-T197 PolarHBondContact O-OG1 2.98Å; M194-M200 HydrophobicContact CB-SD 3.94Å
195G75.7Confident72.9Confident36 Ų3662.2 Ų62.237%0.37135%0.354SS..Hα-helixtrans-59.4-29.5178.200000114.5D191 Y192 T197 M200D191-G195 PolarHBondContact O-N 2.86Å; Y192-G195 PolarHBondContact O-N 3.37Å; G195-T197 VanDerWaalsContact C-N 3.26Å; G195-T197 PolarHBondContact O-N 2.98Å; G195-M200 WeakPolarHBondContact CA-SD 3.39Å; G195-M200 PolarHBondContact N-SD 3.1Å
196L72.5Confident71.8Confident24 Ų2467 Ų6713%0.12637%0.366CS..THydrogen-bonded Turntrans-75.9-8.5178.3-73.2-177.9000114.5M135 Y140 I143 A144 Y192 M194M135-L196 HydrophobicContact CE-CB 3.68Å; M135-L196 HydrophobicContact SD-CB 4.33Å; Y140-L196 HydrophobicContact CD1-CD2 3.65Å; Y140-L196 HydrophobicContact CD2-CD2 4.25Å; Y140-L196 HydrophobicContact CE1-CD2 4.07Å; Y140-L196 HydrophobicContact CG-CD2 3.78Å; Y140-L196 HydrophobicContact CG-CG 4.49Å; I143-L196 HydrophobicContact CB-CD1 4.48Å; A144-L196 HydrophobicContact CB-CD1 4.3Å; Y192-L196 HydrophobicContact CD1-CD1 3.8Å; Y192-L196 HydrophobicContact CD1-CG 4.18Å; Y192-L196 HydrophobicContact CE1-CD1 3.4Å; Y192-L196 HydrophobicContact CE1-CD2 4.2Å; Y192-L196 HydrophobicContact CE1-CG 3.9Å; Y192-L196 VanDerWaalsContact O-CG 3.29Å; Y192-L196 WeakPolarHBondContact O-CG 3.29Å; Y192-L196 PolarHBondContact O-N 3.48Å; M194-L196 PolarHBondContact O-N 3.2Å
197T69.5Low71Confident14 Ų1467.4 Ų67.49%0.08637%0.369CS..SBendtrans-76.1149.8177.760.90000111.9L131 M135 M194 G195 E199 M200 A201L131-T197 HydrophobicContact CD1-CG2 3.39Å; L131-T197 HydrophobicContact CD2-CG2 4.06Å; L131-T197 HydrophobicContact CG-CG2 3.52Å; M135-T197 HydrophobicContact CE-CG2 4.04Å; M194-T197 WeakPolarHBondContact O-CB 3.49Å; M194-T197 PolarHBondContact O-N 3.31Å; M194-T197 VanDerWaalsContact O-N 3.1Å; M194-T197 PolarHBondContact O-OG1 2.98Å; G195-T197 VanDerWaalsContact C-N 3.26Å; G195-T197 PolarHBondContact O-N 2.98Å; T197-E199 PolarHBondContact O-N 3.48Å; T197-E199 VanDerWaalsContact O-N 3.17Å; T197-M200 PolarHBondContact O-N 3.25Å; T197-A201 PolarHBondContact O-N 3.17Å
198A56.4Low70.3Confident35 Ų3566.1 Ų66.129%0.28937%0.367SS..Hα-helixtrans-57.4-30.6175.700000112N136 M200 A201 D202N136-A198 WeakPolarHBondContact ND2-CB 3.46Å; A198-M200 PolarHBondContact O-N 2.98Å; A198-A201 PolarHBondContact O-N 2.86Å; A198-D202 PolarHBondContact O-N 2.89Å
199E58.7Low70Confident161 Ų16165.8 Ų65.875%0.75236%0.362SS*.Hα-helixtrans-61.5-32175.7-164.9170.7-170.600112.1T197 T203T197-E199 PolarHBondContact O-N 3.48Å; T197-E199 VanDerWaalsContact O-N 3.17Å; E199-T203 PolarHBondContact O-OG1 3.38Å
200M52.8Low69.7Low78 Ų7866 Ų6638%0.38436%0.36SS..Hα-helixtrans-81.7-32.3174.6-75.9-171.885.300113.6M194 G195 T197 A198 D202 T203M194-M200 HydrophobicContact CB-SD 3.94Å; G195-M200 WeakPolarHBondContact CA-SD 3.39Å; G195-M200 PolarHBondContact N-SD 3.1Å; T197-M200 PolarHBondContact O-N 3.25Å; A198-M200 PolarHBondContact O-N 2.98Å; M200-D202 VanDerWaalsContact C-N 3.26Å; M200-D202 PolarHBondContact O-N 3.39Å; M200-T203 WeakPolarHBondContact CA-OG1 3.3Å; M200-T203 WeakPolarHBondContact O-CB 3.45Å; M200-T203 PolarHBondContact O-N 3.47Å; M200-T203 PolarHBondContact O-OG1 3.5Å
201A52.4Low69.7Low73 Ų7367 Ų6760%0.60337%0.37SS*.Hα-helixtrans-61.6-35.3169.600000112.1T197 A198 T203T197-A201 PolarHBondContact O-N 3.17Å; A198-A201 PolarHBondContact O-N 2.86Å; A201-T203 PolarHBondContact O-N 2.97Å
202D59.5Low69.7Low112 Ų11264 Ų6460%0.59935%0.354SS*.THydrogen-bonded Turntrans-75.2-1.6172.9-72.8-12.1000113.6A198 M200 L204 G205A198-D202 PolarHBondContact O-N 2.89Å; M200-D202 VanDerWaalsContact C-N 3.26Å; M200-D202 PolarHBondContact O-N 3.39Å; D202-L204 VanDerWaalsContact C-N 3.33Å; D202-L204 PolarHBondContact O-N 3.34Å; D202-G205 PolarHBondContact O-N 2.83Å
203T55.5Low69.7Low78 Ų7859.7 Ų59.748%0.47934%0.339SS..THydrogen-bonded Turntrans-72.7-27-179.2-43.60000112.5E199 M200 A201 G205 K232E199-T203 PolarHBondContact O-OG1 3.38Å; M200-T203 WeakPolarHBondContact CA-OG1 3.3Å; M200-T203 WeakPolarHBondContact O-CB 3.45Å; M200-T203 PolarHBondContact O-N 3.47Å; M200-T203 PolarHBondContact O-OG1 3.5Å; A201-T203 PolarHBondContact O-N 2.97Å; T203-G205 PolarHBondContact O-N 3.06Å; T203-K232 WeakPolarHBondContact O-CB 3.35Å
204L55.5Low69.9Low71 Ų7167.7 Ų67.737%0.37237%0.373SS..SBendtrans-64.4-25169.8-70.3169.4000110.4D202 A230 K232 A233D202-L204 VanDerWaalsContact C-N 3.33Å; D202-L204 PolarHBondContact O-N 3.34Å; L204-A230 HydrophobicContact CB-CB 4.02Å; L204-A230 CarbonylContact O-C 3.6Å; L204-A230 WeakPolarHBondContact O-CB 3.13Å; L204-K232 PolarHBondContact O-N 2.98Å; L204-K232 VanDerWaalsContact O-N 3.12Å; L204-A233 HydrophobicContact CD2-CB 3.94Å
205G60.6Low70.3Confident12 Ų1267.8 Ų67.812%0.12438%0.379CS..  trans77.5176.8-166.800000110.6D202 T203 V207D202-G205 PolarHBondContact O-N 2.83Å; T203-G205 PolarHBondContact O-N 3.06Å; G205-V207 PolarHBondContact O-N 3.26Å
206E66.9Low70.7Confident136 Ų13668.2 Ų68.264%0.63638%0.383SS*.SBendtrans-61.7131.9174.1-67.9-176.1169.900109.4T208 A230 E231E206-T208 PolarHBondContact O-N 2.82Å; E206-A230 WeakPolarHBondContact O-CA 3.27Å; E206-E231 PolarHBondContact O-N 2.83Å
207V71.2Confident71.5Confident15 Ų1571.2 Ų71.29%0.09140%0.397CS..EExtended strand (participates in β ladder)trans-61.3112.2172.3178.20000108.6G205 I228 A230 P256 L259 N260G205-V207 PolarHBondContact O-N 3.26Å; V207-I228 HydrophobicContact CB-CG2 4.35Å; V207-I228 HydrophobicContact CG1-CG2 3.69Å; V207-I228 HydrophobicContact CG2-CG2 3.74Å; V207-A230 HydrophobicContact CG2-CB 4.43Å; V207-P256 HydrophobicContact CG1-CB 3.92Å; V207-L259 HydrophobicContact CG1-CD1 4.41Å; V207-L259 HydrophobicContact CG2-CB 4.38Å; V207-N260 PolarHBondContact N-ND2 3.35Å; V207-N260 PolarHBondContact N-OD1 2.87Å; V207-N260 VanDerWaalsContact N-OD1 3.16Å
208T75.7Confident72.3Confident81 Ų8174.5 Ų74.550%0.49742%0.42SS..EExtended strand (participates in β ladder)trans-90.5-31.7-179.846.20000111.8E206 E229E206-T208 PolarHBondContact O-N 2.82Å; T208-E229 PolarHBondContact N-O 2.91Å; T208-E229 PolarHBondContact OG1-O 3.23Å
209F81.2Confident73.8Confident109 Ų10973 Ų7348%0.47841%0.408SS..EExtended strand (participates in β ladder)trans-153.9149.5-176.7-177.2-101.2000111.6E229F209-E229 HydrophobicContact CB-CB 4.19Å; F209-E229 PolarHBondContact N-O 3.06Å; F209-E229 PolarHBondContact O-N 3.09Å; F209-E229 VanDerWaalsContact O-O 3.05Å
210I81Confident75.3Confident12 Ų1271.3 Ų71.36%0.06240%0.398CS..EExtended strand (participates in β ladder)trans-136.9124173.9-171.8169.5000109.8L212 L226 E227 I228 V252 P256 L259 I269I210-L212 HydrophobicContact CD1-CD2 3.78Å; I210-L212 HydrophobicContact CD1-CG 4.27Å; I210-L212 HydrophobicContact CG1-CD2 3.94Å; I210-L212 HydrophobicContact CG1-CG 3.98Å; I210-L212 HydrophobicContact CG2-CD1 3.83Å; I210-L212 HydrophobicContact CG2-CG 4.13Å; I210-L226 HydrophobicContact CD1-CD1 4.44Å; I210-E227 CarbonylContact C-O 3.52Å; I210-E227 WeakPolarHBondContact CA-O 3.44Å; I210-I228 HydrophobicContact CD1-CD1 4.28Å; I210-I228 HydrophobicContact CD1-CG1 3.97Å; I210-I228 HydrophobicContact CG1-CG1 4.1Å; I210-V252 HydrophobicContact CD1-CG1 4Å; I210-V252 HydrophobicContact CG2-CG1 3.85Å; I210-P256 HydrophobicContact CG2-CB 4.31Å; I210-P256 HydrophobicContact CG2-CG 4.37Å; I210-L259 HydrophobicContact CD1-CD1 3.79Å; I210-I269 HydrophobicContact CD1-CG2 3.91Å
211S85.6Confident76.9Confident55 Ų5569.7 Ų69.739%0.38540%0.397SS..EExtended strand (participates in β ladder)trans-86.5109173.3-169.80000108.9L226 E227S211-L226 WeakPolarHBondContact O-CA 3.34Å; S211-L226 WeakPolarHBondContact O-CB 3.37Å; S211-E227 PolarHBondContact N-O 2.8Å; S211-E227 PolarHBondContact O-N 2.96Å
212L85.1Confident78.4Confident41 Ų4168.3 Ų68.322%0.21539%0.39CS..  trans-105141.7-176.3-67.8162.1000111.4I210 V248 V252 V253 I269I210-L212 HydrophobicContact CD1-CD2 3.78Å; I210-L212 HydrophobicContact CD1-CG 4.27Å; I210-L212 HydrophobicContact CG1-CD2 3.94Å; I210-L212 HydrophobicContact CG1-CG 3.98Å; I210-L212 HydrophobicContact CG2-CD1 3.83Å; I210-L212 HydrophobicContact CG2-CG 4.13Å; L212-V248 HydrophobicContact CB-CG1 4.07Å; L212-V248 HydrophobicContact CD1-CG1 3.56Å; L212-V248 HydrophobicContact CD2-CG1 4.07Å; L212-V248 HydrophobicContact CG-CG1 4.09Å; L212-V252 HydrophobicContact CD1-CG1 4.42Å; L212-V253 HydrophobicContact CD1-CG2 3.52Å; L212-I269 HydrophobicContact CD2-CG2 3.37Å
213P85.2Confident79.8Confident13 Ų1367.4 Ų67.48%0.08438%0.382CS..PPolyproline II helixtrans-68.8156.5176.731-34.9000110.4L225 V245 L270P213-L225 WeakPolarHBondContact CD-O 3.3Å; P213-L225 HydrophobicContact CG-CD1 4.03Å; P213-V245 HydrophobicContact CB-CG2 4.02Å; P213-V245 HydrophobicContact CG-CG1 4.32Å; P213-V245 HydrophobicContact CG-CG2 3.76Å; P213-L270 HydrophobicContact CG-CD2 3.9Å
214K86.6Confident81.2Confident171 Ų17167.2 Ų67.274%0.74338%0.382SS*.PPolyproline II helixtrans-73.7140.3177.7-68.9-179.6-179.1175.80110.2G216 Q217K214-G216 PolarHBondContact O-N 3.22Å; K214-Q217 VanDerWaalsContact N-OE1 3.16Å; K214-Q217 WeakPolarHBondContact O-CB 3.29Å; K214-Q217 PolarHBondContact O-N 3Å
215V88Confident82.7Confident96 Ų9664.7 Ų64.758%0.58237%0.369SS*.THydrogen-bonded Turntrans-56.2127.2169.5179.40000109.1S246 V248V215-S246 WeakPolarHBondContact CG1-O 3.32Å; V215-V248 HydrophobicContact CG2-CG2 4.11Å
216G85.5Confident84Confident45 Ų4564.9 Ų64.946%0.46437%0.367SS..THydrogen-bonded Turntrans92.7-4.5-173.500000115.4K214 S218 V245K214-G216 PolarHBondContact O-N 3.22Å; G216-S218 PolarHBondContact O-N 3.13Å; G216-V245 PolarHBondContact N-O 3.2Å
217Q88.4Confident84.8Confident88 Ų8862.5 Ų62.541%0.41136%0.355SS..  trans-69129.8173.2-175.6173.4-16.100110.2K214 V219 V244 V245K214-Q217 VanDerWaalsContact N-OE1 3.16Å; K214-Q217 WeakPolarHBondContact O-CB 3.29Å; K214-Q217 PolarHBondContact O-N 3Å; Q217-V219 HydrophobicContact CG-CG1 4.43Å; Q217-V244 WeakPolarHBondContact O-CA 3.41Å; Q217-V245 PolarHBondContact O-N 2.73Å
218S87.5Confident85.3Confident82 Ų8262.9 Ų62.957%0.57336%0.357SS*.EExtended strand (participates in β ladder)trans-82.8135.3170.2-178.70000109.4G216 G243G216-S218 PolarHBondContact O-N 3.13Å; S218-G243 WeakPolarHBondContact CA-O 3.27Å
219V87.8Confident85.6Confident4 Ų463.2 Ų63.22%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-129.2143-179.8-68.70000109Q217 L225 T242 G243 L272Q217-V219 HydrophobicContact CG-CG1 4.43Å; V219-L225 HydrophobicContact CB-CD1 4.34Å; V219-L225 HydrophobicContact CG1-CD1 3.88Å; V219-L225 HydrophobicContact CG2-CD1 4.12Å; V219-T242 WeakPolarHBondContact O-CA 3.48Å; V219-G243 PolarHBondContact N-O 2.87Å; V219-G243 PolarHBondContact O-N 3.36Å; V219-L272 HydrophobicContact CG2-CD2 3.8Å
220K88.8Confident85.4Confident126 Ų12658.3 Ų58.355%0.54833%0.333SS..  trans-101.7152.1172.7-65.2-179.3178.7177.50111G222 E223 S239 T242K220-G222 PolarHBondContact O-N 2.73Å; K220-E223 HydrophobicContact CB-CG 4.12Å; K220-E223 PolarHBondContact N-OE2 3.19Å; K220-E223 PolarHBondContact O-N 3.03Å; K220-E223 VanDerWaalsContact O-N 3.14Å; K220-S239 WeakPolarHBondContact O-CB 3.06Å; K220-T242 HydrophobicContact CG-CG2 4.36Å
221A87.3Confident85.2Confident44 Ų4464.4 Ų64.436%0.36436%0.361SS..THydrogen-bonded Turntrans-53.1130171.700000110.9S239 T242A221-S239 WeakPolarHBondContact CA-O 3.33Å; A221-T242 PolarHBondContact N-OG1 3.12Å
222G84.4Confident84.5Confident44 Ų4468.6 Ų68.645%0.45437%0.372SS..THydrogen-bonded Turntrans85.3-8.2-179.500000116.4K220 K238 S239K220-G222 PolarHBondContact O-N 2.73Å; G222-K238 WeakPolarHBondContact O-CD 3.32Å; G222-S239 PolarHBondContact N-O 2.98Å
223E88.1Confident84Confident92 Ų9268.4 Ų68.443%0.4338%0.377SS..SBendtrans-79.3152.1172.6-70.7-177165.800111.5K220 L225 K238 S239K220-E223 HydrophobicContact CB-CG 4.12Å; K220-E223 PolarHBondContact N-OE2 3.19Å; K220-E223 PolarHBondContact O-N 3.03Å; K220-E223 VanDerWaalsContact O-N 3.14Å; E223-L225 PolarHBondContact O-N 2.97Å; E223-K238 CarbonylContact O-C 3.52Å; E223-K238 VanDerWaalsContact O-CA 3.28Å; E223-K238 WeakPolarHBondContact O-CA 3.25Å; E223-S239 PolarHBondContact O-N 2.71Å
224P86Confident83.8Confident74 Ų7471.8 Ų71.848%0.48140%0.397SS..EExtended strand (participates in β ladder)trans-56.4122.1174.7-22.733.3000111.1E236P224-E236 HydrophobicContact CB-CG 4.04Å; P224-E236 WeakPolarHBondContact CG-OE1 3.37Å
225L86.7Confident83.5Confident19 Ų1967.7 Ų67.710%0.09938%0.38CS..EExtended strand (participates in β ladder)trans-102.2-48.6-177.617762.9000111.3P213 V219 E223 F237 L270P213-L225 WeakPolarHBondContact CD-O 3.3Å; P213-L225 HydrophobicContact CG-CD1 4.03Å; V219-L225 HydrophobicContact CB-CD1 4.34Å; V219-L225 HydrophobicContact CG1-CD1 3.88Å; V219-L225 HydrophobicContact CG2-CD1 4.12Å; E223-L225 PolarHBondContact O-N 2.97Å; L225-F237 WeakPolarHBondContact CB-O 3.29Å; L225-F237 PolarHBondContact N-O 3.46Å; L225-L270 HydrophobicContact CD1-CD2 3.97Å; L225-L270 HydrophobicContact CD2-CD1 4.22Å; L225-L270 HydrophobicContact CD2-CD2 3.92Å; L225-L270 HydrophobicContact CG-CD2 3.86Å
226L86.5Confident83.3Confident16 Ų1668.1 Ų68.18%0.08438%0.376CS..EExtended strand (participates in β ladder)trans-149.7156.1-1796490.4000110.3I210 S211 I228 F237 I269 L270I210-L226 HydrophobicContact CD1-CD1 4.44Å; S211-L226 WeakPolarHBondContact O-CA 3.34Å; S211-L226 WeakPolarHBondContact O-CB 3.37Å; L226-I228 HydrophobicContact CD1-CD1 3.92Å; L226-I228 HydrophobicContact CD1-CG1 3.54Å; L226-F237 HydrophobicContact CD1-CB 3.73Å; L226-F237 HydrophobicContact CD1-CD2 3.54Å; L226-F237 HydrophobicContact CD1-CE2 4.45Å; L226-F237 HydrophobicContact CD1-CG 3.89Å; L226-F237 HydrophobicContact CG-CB 3.89Å; L226-F237 PolarHBondContact N-O 3.4Å; L226-F237 PolarHBondContact O-N 3.26Å; L226-I269 HydrophobicContact CD2-CD1 4.35Å; L226-I269 HydrophobicContact CD2-CG2 3.86Å; L226-L270 HydrophobicContact CD2-CD2 3.96Å
227E84.9Confident83.2Confident85 Ų8569.8 Ų69.840%0.39737%0.371SS..EExtended strand (participates in β ladder)trans-125.5124.7177.1-173.318017300108.2I210 S211 V234I210-E227 CarbonylContact C-O 3.52Å; I210-E227 WeakPolarHBondContact CA-O 3.44Å; S211-E227 PolarHBondContact N-O 2.8Å; S211-E227 PolarHBondContact O-N 2.96Å; E227-V234 HydrophobicContact CG-CG1 3.76Å; E227-V234 WeakPolarHBondContact OE1-CG1 3.31Å
228I81.5Confident83.1Confident23 Ų2372.1 Ų72.112%0.11838%0.379CS..EExtended strand (participates in β ladder)trans-104.6119.6176.5-55.6-173.3000107.5V207 I210 L226 V234 Q235 F237 I269V207-I228 HydrophobicContact CB-CG2 4.35Å; V207-I228 HydrophobicContact CG1-CG2 3.69Å; V207-I228 HydrophobicContact CG2-CG2 3.74Å; I210-I228 HydrophobicContact CD1-CD1 4.28Å; I210-I228 HydrophobicContact CD1-CG1 3.97Å; I210-I228 HydrophobicContact CG1-CG1 4.1Å; L226-I228 HydrophobicContact CD1-CD1 3.92Å; L226-I228 HydrophobicContact CD1-CG1 3.54Å; I228-V234 WeakPolarHBondContact O-CA 3.33Å; I228-Q235 PolarHBondContact N-O 3.42Å; I228-Q235 PolarHBondContact O-N 3.26Å; I228-F237 HydrophobicContact CB-CE2 4.12Å; I228-F237 HydrophobicContact CD1-CD2 4.03Å; I228-F237 HydrophobicContact CD1-CE2 3.56Å; I228-F237 HydrophobicContact CD1-CZ 4.23Å; I228-F237 HydrophobicContact CG1-CD2 3.98Å; I228-F237 HydrophobicContact CG1-CE2 3.77Å; I228-I269 HydrophobicContact CD1-CD1 4.44Å
229E81.3Confident83Confident88 Ų8868.3 Ų68.341%0.41135%0.353SS..EExtended strand (participates in β ladder)trans-104.6116.6171.8175.3172.3-157.400108.2T208 F209 V234T208-E229 PolarHBondContact N-O 2.91Å; T208-E229 PolarHBondContact OG1-O 3.23Å; F209-E229 HydrophobicContact CB-CB 4.19Å; F209-E229 PolarHBondContact N-O 3.06Å; F209-E229 PolarHBondContact O-N 3.09Å; F209-E229 VanDerWaalsContact O-O 3.05Å; E229-V234 HydrophobicContact CB-CG2 4.23Å; E229-V234 HydrophobicContact CG-CG2 3.96Å
230A77.1Confident82.8Confident7 Ų771.7 Ų71.76%0.05838%0.375CS..EExtended strand (participates in β ladder)trans-115.7162.1174.700000109.3L204 E206 V207 K232 A233L204-A230 HydrophobicContact CB-CB 4.02Å; L204-A230 CarbonylContact O-C 3.6Å; L204-A230 WeakPolarHBondContact O-CB 3.13Å; E206-A230 WeakPolarHBondContact O-CA 3.27Å; V207-A230 HydrophobicContact CG2-CB 4.43Å; A230-K232 PolarHBondContact O-N 3.38Å; A230-A233 PolarHBondContact N-O 3.5Å; A230-A233 PolarHBondContact O-N 2.9Å; A230-A233 VanDerWaalsContact O-N 3.13Å; A230-A233 VanDerWaalsContact O-O 3.05Å
231E76.5Confident82.7Confident140 Ų14066.4 Ų66.465%0.65435%0.352SS*.THydrogen-bonded Turntrans-47.9-31.9-171.6-168.2-169.1-176.100113.9E206E206-E231 PolarHBondContact O-N 2.83Å
232K71.3Confident82.7Confident142 Ų14266.2 Ų66.262%0.61735%0.347SS*.THydrogen-bonded Turntrans-114.3-9.5-173.4-62.4173.4-172.9162.80114.4T203 L204 A230T203-K232 WeakPolarHBondContact O-CB 3.35Å; L204-K232 PolarHBondContact O-N 2.98Å; L204-K232 VanDerWaalsContact O-N 3.12Å; A230-K232 PolarHBondContact O-N 3.38Å
233A74.9Confident82.9Confident38 Ų3864.3 Ų64.331%0.31433%0.327SS..EExtended strand (participates in β ladder)trans-158.1150-174.600000113L204 A230L204-A233 HydrophobicContact CD2-CB 3.94Å; A230-A233 PolarHBondContact N-O 3.5Å; A230-A233 PolarHBondContact O-N 2.9Å; A230-A233 VanDerWaalsContact O-N 3.13Å; A230-A233 VanDerWaalsContact O-O 3.05Å
234V81Confident82.9Confident83 Ų8360.8 Ų60.850%0.50331%0.312SS..EExtended strand (participates in β ladder)trans-112.4126.3168.6-179.40000108E227 I228 E229E227-V234 HydrophobicContact CG-CG1 3.76Å; E227-V234 WeakPolarHBondContact OE1-CG1 3.31Å; I228-V234 WeakPolarHBondContact O-CA 3.33Å; E229-V234 HydrophobicContact CB-CG2 4.23Å; E229-V234 HydrophobicContact CG-CG2 3.96Å
235Q80.8Confident83.1Confident85 Ų8557.2 Ų57.240%0.39729%0.289SS..EExtended strand (participates in β ladder)trans-127.9123.8-179.3-170.2168.520.800111.2I228 F237I228-Q235 PolarHBondContact N-O 3.42Å; I228-Q235 PolarHBondContact O-N 3.26Å; Q235-F237 HydrophobicContact CB-CE2 3.99Å; Q235-F237 HydrophobicContact CG-CD2 4.31Å; Q235-F237 HydrophobicContact CG-CE2 3.75Å; Q235-F237 HydrophobicContact CG-CZ 3.99Å
236E84.1Confident83Confident105 Ų10558.6 Ų58.649%0.49130%0.3SS..EExtended strand (participates in β ladder)trans-90.3128.8173.6-171.6-174.392.300110.1P224P224-E236 HydrophobicContact CB-CG 4.04Å; P224-E236 WeakPolarHBondContact CG-OE1 3.37Å
237F82.4Confident83Confident81 Ų8159.8 Ų59.836%0.35531%0.31SS..EExtended strand (participates in β ladder)trans-107.1125.6175.8-69.1-95.9000109.6L225 L226 I228 Q235L225-F237 WeakPolarHBondContact CB-O 3.29Å; L225-F237 PolarHBondContact N-O 3.46Å; L226-F237 HydrophobicContact CD1-CB 3.73Å; L226-F237 HydrophobicContact CD1-CD2 3.54Å; L226-F237 HydrophobicContact CD1-CE2 4.45Å; L226-F237 HydrophobicContact CD1-CG 3.89Å; L226-F237 HydrophobicContact CG-CB 3.89Å; L226-F237 PolarHBondContact N-O 3.4Å; L226-F237 PolarHBondContact O-N 3.26Å; I228-F237 HydrophobicContact CB-CE2 4.12Å; I228-F237 HydrophobicContact CD1-CD2 4.03Å; I228-F237 HydrophobicContact CD1-CE2 3.56Å; I228-F237 HydrophobicContact CD1-CZ 4.23Å; I228-F237 HydrophobicContact CG1-CD2 3.98Å; I228-F237 HydrophobicContact CG1-CE2 3.77Å; Q235-F237 HydrophobicContact CB-CE2 3.99Å; Q235-F237 HydrophobicContact CG-CD2 4.31Å; Q235-F237 HydrophobicContact CG-CE2 3.75Å; Q235-F237 HydrophobicContact CG-CZ 3.99Å
238K87Confident83Confident136 Ų13656.9 Ų56.959%0.59130%0.297SS*.EExtended strand (participates in β ladder)trans-84.8149.2178.2-65.5175.1176.4-174.50110.7G222 E223G222-K238 WeakPolarHBondContact O-CD 3.32Å; E223-K238 CarbonylContact O-C 3.52Å; E223-K238 VanDerWaalsContact O-CA 3.28Å; E223-K238 WeakPolarHBondContact O-CA 3.25Å
239S85.4Confident83Confident3 Ų355.8 Ų55.82%0.02129%0.292CS..  trans-64.9126.4176.3-162.90000110K220 A221 G222 E223 L241K220-S239 WeakPolarHBondContact O-CB 3.06Å; A221-S239 WeakPolarHBondContact CA-O 3.33Å; G222-S239 PolarHBondContact N-O 2.98Å; E223-S239 PolarHBondContact O-N 2.71Å; S239-L241 PolarHBondContact O-N 3.4Å; S239-L241 PolarHBondContact OG-O 2.88Å
240P82Confident83Confident74 Ų7459.6 Ų59.648%0.48131%0.31SS..SBendtrans-71.5-24.2175.929.4-34.3000111.9L283P240-L283 HydrophobicContact CB-CD1 4.5Å; P240-L283 HydrophobicContact CB-CD2 4.16Å
241L86.5Confident83Confident15 Ų1564.3 Ų64.38%0.07933%0.329CS..SBendtrans-137.9153.1-171.8-63.4166000111.2S239 L272 V275 E279 F280 L283S239-L241 PolarHBondContact O-N 3.4Å; S239-L241 PolarHBondContact OG-O 2.88Å; L241-L272 HydrophobicContact CB-CD1 4.31Å; L241-V275 HydrophobicContact CB-CG1 4.05Å; L241-V275 HydrophobicContact CD1-CG1 3.67Å; L241-V275 HydrophobicContact CD2-CG1 4.33Å; L241-V275 HydrophobicContact CG-CG1 4.22Å; L241-E279 VanDerWaalsContact CD2-C 3.44Å; L241-E279 HydrophobicContact CD2-CB 3.63Å; L241-F280 HydrophobicContact CD1-CD2 3.82Å; L241-F280 HydrophobicContact CD2-CB 4.27Å; L241-L283 HydrophobicContact CD1-CD1 3.68Å; L241-L283 HydrophobicContact CD2-CD1 3.54Å; L241-L283 HydrophobicContact CD2-CG 3.99Å; L241-L283 HydrophobicContact CG-CD1 3.67Å
242T88.3Confident83Confident41 Ų4157.7 Ų57.725%0.25230%0.298SS..  trans-79.6128.8167.3-590000109V219 K220 A221 V275 D276 E279V219-T242 WeakPolarHBondContact O-CA 3.48Å; K220-T242 HydrophobicContact CG-CG2 4.36Å; A221-T242 PolarHBondContact N-OG1 3.12Å; T242-V275 WeakPolarHBondContact O-CA 3.38Å; T242-D276 PolarHBondContact O-N 3.4Å; T242-E279 WeakPolarHBondContact CA-OE2 3.43Å; T242-E279 WeakPolarHBondContact CB-OE2 3.33Å; T242-E279 PolarHBondContact N-OE2 2.68Å; T242-E279 PolarHBondContact OG1-OE1 3.05Å; T242-E279 PolarHBondContact OG1-OE2 3.2Å
243G88.7Confident83.4Confident3 Ų355.3 Ų55.33%0.03130%0.295CS..EExtended strand (participates in β ladder)trans179.5-166.7-17900000113.2S218 V219S218-G243 WeakPolarHBondContact CA-O 3.27Å; V219-G243 PolarHBondContact N-O 2.87Å; V219-G243 PolarHBondContact O-N 3.36Å
244V88.7Confident83.7Confident18 Ų1857.7 Ų57.711%0.10932%0.315CS..EExtended strand (participates in β ladder)trans-120.3133.1178-178.50000109.3Q217 S246 L272 R273Q217-V244 WeakPolarHBondContact O-CA 3.41Å; V244-S246 PolarHBondContact O-N 3.11Å; V244-S246 VanDerWaalsContact O-N 3.09Å; V244-L272 CarbonylContact O-C 3.58Å; V244-L272 WeakPolarHBondContact O-CA 3.29Å; V244-R273 HydrophobicContact CB-CG 3.99Å; V244-R273 HydrophobicContact CG1-CG 4.48Å; V244-R273 PolarHBondContact N-O 3.1Å; V244-R273 WeakPolarHBondContact O-CG 3.4Å; V244-R273 PolarHBondContact O-N 3.28Å
245V88.8Confident83.6Confident0 Ų057.8 Ų57.80%031%0.313CS..EExtended strand (participates in β ladder)trans-64.3112.8176.8-178.70000109.7P213 G216 Q217 V248 L272P213-V245 HydrophobicContact CB-CG2 4.02Å; P213-V245 HydrophobicContact CG-CG1 4.32Å; P213-V245 HydrophobicContact CG-CG2 3.76Å; G216-V245 PolarHBondContact N-O 3.2Å; Q217-V245 PolarHBondContact O-N 2.73Å; V245-V248 HydrophobicContact CG1-CG2 3.84Å; V245-L272 HydrophobicContact CG2-CD2 3.98Å
246S86.2Confident83.4Confident47 Ų4755 Ų5533%0.32930%0.302SS..EExtended strand (participates in β ladder)trans-87.2-46.1-176.7-171.80000112V215 V244 S271V215-S246 WeakPolarHBondContact CG1-O 3.32Å; V244-S246 PolarHBondContact O-N 3.11Å; V244-S246 VanDerWaalsContact O-N 3.09Å; S246-S271 WeakPolarHBondContact CB-O 3.48Å; S246-S271 PolarHBondContact N-O 2.91Å
247S84.6Confident83Confident42 Ų4251.5 Ų51.529%0.29429%0.291SS..EExtended strand (participates in β ladder)trans-151158.1178.862.60000110.4L270 S271S247-L270 CarbonylContact O-C 3.4Å; S247-L270 VanDerWaalsContact O-CA 3.25Å; S247-L270 WeakPolarHBondContact O-CA 3.44Å; S247-L270 WeakPolarHBondContact O-CB 3.39Å; S247-S271 PolarHBondContact N-O 3.19Å; S247-S271 PolarHBondContact O-N 3.36Å; S247-S271 VanDerWaalsContact OG-CB 3.27Å; S247-S271 WeakPolarHBondContact OG-CB 3.34Å
248V85.7Confident82.4Confident23 Ų2349 Ų4914%0.13929%0.285CS..EExtended strand (participates in β ladder)trans-128.1144.9174.9178.80000107.1L212 V215 V245 E250 V253 L270L212-V248 HydrophobicContact CB-CG1 4.07Å; L212-V248 HydrophobicContact CD1-CG1 3.56Å; L212-V248 HydrophobicContact CD2-CG1 4.07Å; L212-V248 HydrophobicContact CG-CG1 4.09Å; V215-V248 HydrophobicContact CG2-CG2 4.11Å; V245-V248 HydrophobicContact CG1-CG2 3.84Å; V248-E250 PolarHBondContact O-N 2.64Å; V248-V253 HydrophobicContact CG1-CG2 3.72Å; V248-L270 HydrophobicContact CG2-CB 4.27Å
249S82Confident81.6Confident1 Ų144.1 Ų44.11%0.00727%0.265CS..  trans-68.3113.5-176.4179.30000111.5K251 V252 V253 W268 I269S249-K251 PolarHBondContact O-N 2.96Å; S249-V252 PolarHBondContact O-N 3.14Å; S249-V253 VanDerWaalsContact O-CG2 3.29Å; S249-V253 WeakPolarHBondContact O-CG2 3.43Å; S249-V253 PolarHBondContact O-N 2.79Å; S249-W268 VanDerWaalsContact CA-CH2 3.46Å; S249-W268 WeakPolarHBondContact CB-O 3.09Å; S249-W268 PolarHBondContact OG-O 3.22Å; S249-I269 PolarHBondContact N-O 3.31Å
250E81.3Confident80.8Confident168 Ų16847.2 Ų47.279%0.78528%0.281SS*.Hα-helixtrans-60.2-32.2177.8-64.6-176.117800111.9V248 A254V248-E250 PolarHBondContact O-N 2.64Å; E250-A254 VanDerWaalsContact O-CB 3.26Å; E250-A254 WeakPolarHBondContact O-CB 3.39Å; E250-A254 PolarHBondContact O-N 3.49Å
251K77.4Confident80Confident106 Ų10648 Ų4846%0.46128%0.284SS..Hα-helixtrans-62.4-49.1176.2-71.1-176.8177.6176.70110.9S249 A254 D255 D266S249-K251 PolarHBondContact O-N 2.96Å; K251-A254 PolarHBondContact O-N 2.87Å; K251-D255 PolarHBondContact O-N 3.48Å; K251-D266 IonicContact NZ-OD1 2.72Å; K251-D266 PolarHBondContact NZ-OD1 3.48Å; K251-D266 IonicContact NZ-OD2 2.86Å; K251-D266 PolarHBondContact NZ-OD2 3.2Å
252V76.9Confident78.6Confident1 Ų155.1 Ų55.11%0.00632%0.315CS..Hα-helixtrans-69.6-34-178.8176.30000111.6I210 L212 S249 D255 L259I210-V252 HydrophobicContact CD1-CG1 4Å; I210-V252 HydrophobicContact CG2-CG1 3.85Å; L212-V252 HydrophobicContact CD1-CG1 4.42Å; S249-V252 PolarHBondContact O-N 3.14Å; V252-D255 CarbonylContact O-C 3.59Å; V252-L259 HydrophobicContact CG1-CD1 3.71Å; V252-L259 HydrophobicContact CG1-CD2 4.25Å; V252-L259 HydrophobicContact CG1-CG 3.88Å; V252-L259 HydrophobicContact CG2-CD2 3.66Å; V252-L259 HydrophobicContact CG2-CG 3.93Å
253V79.5Confident77.3Confident91 Ų9159.4 Ų59.455%0.55233%0.332SS*.Hα-helixtrans-67.8-39.9174.1173.20000111.5L212 V248 S249L212-V253 HydrophobicContact CD1-CG2 3.52Å; V248-V253 HydrophobicContact CG1-CG2 3.72Å; S249-V253 VanDerWaalsContact O-CG2 3.29Å; S249-V253 WeakPolarHBondContact O-CG2 3.43Å; S249-V253 PolarHBondContact O-N 2.79Å
254A80.3Confident75.8Confident88 Ų8866.6 Ų66.673%0.72737%0.365SS*.Hα-helixtrans-75.3-38.5-179.500000112.4E250 K251E250-A254 VanDerWaalsContact O-CB 3.26Å; E250-A254 WeakPolarHBondContact O-CB 3.39Å; E250-A254 PolarHBondContact O-N 3.49Å; K251-A254 PolarHBondContact O-N 2.87Å
255D79.2Confident74.3Confident86 Ų8673.7 Ų73.746%0.4640%0.401SS..  trans-143.399.8-179.9-175.69.4000109.7K251 V252 A257 A258K251-D255 PolarHBondContact O-N 3.48Å; V252-D255 CarbonylContact O-C 3.59Å; D255-A257 PolarHBondContact O-N 3.11Å; D255-A257 VanDerWaalsContact O-N 3.13Å; D255-A257 WeakPolarHBondContact OD1-CB 3.48Å; D255-A257 PolarHBondContact OD1-N 3.31Å; D255-A258 WeakPolarHBondContact O-CB 3.25Å; D255-A258 PolarHBondContact O-N 3.14Å
256P77.1Confident72.9Confident26 Ų2677.1 Ų77.117%0.16942%0.42CS..G310 helixtrans-56.9-25.9174.3-24.834.2000112.7V207 I210 A258 L259V207-P256 HydrophobicContact CG1-CB 3.92Å; I210-P256 HydrophobicContact CG2-CB 4.31Å; I210-P256 HydrophobicContact CG2-CG 4.37Å; P256-A258 PolarHBondContact O-N 3.03Å; P256-L259 WeakPolarHBondContact O-CB 3.13Å; P256-L259 PolarHBondContact O-N 3.21Å
257A74.4Confident71.8Confident32 Ų3276.5 Ų76.526%0.26442%0.417SS..G310 helixtrans-69.6-11.7176.300000113D255 L259 N260D255-A257 PolarHBondContact O-N 3.11Å; D255-A257 VanDerWaalsContact O-N 3.13Å; D255-A257 WeakPolarHBondContact OD1-CB 3.48Å; D255-A257 PolarHBondContact OD1-N 3.31Å; A257-L259 PolarHBondContact O-N 2.99Å; A257-N260 WeakPolarHBondContact CA-ND2 3.43Å; A257-N260 VanDerWaalsContact O-CB 3.24Å; A257-N260 WeakPolarHBondContact O-CB 3.48Å; A257-N260 PolarHBondContact O-N 2.65Å
258A71.4Confident71.5Confident27 Ų2779.8 Ų79.822%0.22342%0.423CS..G310 helixtrans-59.7-26.9170.300000112.1D255 P256 N260 V261D255-A258 WeakPolarHBondContact O-CB 3.25Å; D255-A258 PolarHBondContact O-N 3.14Å; P256-A258 PolarHBondContact O-N 3.03Å; A258-N260 PolarHBondContact O-N 2.93Å; A258-V261 WeakPolarHBondContact O-CB 3.49Å; A258-V261 PolarHBondContact O-N 3.03Å
259L69.7Low71.2Confident35 Ų3580.6 Ų80.618%0.18343%0.426CS..G310 helixtrans-69.6-17.5173.6-68.3174.7000113.3V207 I210 V252 P256 A257 V261 I269V207-L259 HydrophobicContact CG1-CD1 4.41Å; V207-L259 HydrophobicContact CG2-CB 4.38Å; I210-L259 HydrophobicContact CD1-CD1 3.79Å; V252-L259 HydrophobicContact CG1-CD1 3.71Å; V252-L259 HydrophobicContact CG1-CD2 4.25Å; V252-L259 HydrophobicContact CG1-CG 3.88Å; V252-L259 HydrophobicContact CG2-CD2 3.66Å; V252-L259 HydrophobicContact CG2-CG 3.93Å; P256-L259 WeakPolarHBondContact O-CB 3.13Å; P256-L259 PolarHBondContact O-N 3.21Å; A257-L259 PolarHBondContact O-N 2.99Å; L259-V261 PolarHBondContact O-N 2.74Å; L259-I269 HydrophobicContact CD2-CD1 4.33Å; L259-I269 HydrophobicContact CD2-CG1 3.89Å
260N67.7Low71.3Confident67 Ų6782.2 Ų82.236%0.35844%0.435SS..G310 helixtrans-80-8.3175.6-53.6-34.4000111.8V207 A257 A258V207-N260 PolarHBondContact N-ND2 3.35Å; V207-N260 PolarHBondContact N-OD1 2.87Å; V207-N260 VanDerWaalsContact N-OD1 3.16Å; A257-N260 WeakPolarHBondContact CA-ND2 3.43Å; A257-N260 VanDerWaalsContact O-CB 3.24Å; A257-N260 WeakPolarHBondContact O-CB 3.48Å; A257-N260 PolarHBondContact O-N 2.65Å; A258-N260 PolarHBondContact O-N 2.93Å
261V64.9Low71.4Confident90 Ų9076.6 Ų76.655%0.54541%0.414SS..SBendtrans-84131.8-177.2-172.30000110.6A258 L259 E263A258-V261 WeakPolarHBondContact O-CB 3.49Å; A258-V261 PolarHBondContact O-N 3.03Å; L259-V261 PolarHBondContact O-N 2.74Å; V261-E263 PolarHBondContact O-N 3.25Å
262K58Low71.8Confident166 Ų16673.2 Ų73.272%0.72240%0.401SS*.SBendtrans-67.4-1.5-172.7-71.1-178.5174.81770116.2N136 E264N136-K262 PolarHBondContact ND2-NZ 2.85Å; K262-E264 PolarHBondContact O-N 3.48Å
263E60.7Low72.2Confident130 Ų13078.9 Ų78.961%0.60742%0.422SS*.  trans-84.292-180-70.5-171.2174.100110.4V261 L265 D266 A267V261-E263 PolarHBondContact O-N 3.25Å; E263-L265 PolarHBondContact O-N 3.43Å; E263-L265 VanDerWaalsContact O-N 3.08Å; E263-D266 HydrophobicContact CB-CB 4.48Å; E263-D266 PolarHBondContact O-N 3.41Å; E263-A267 PolarHBondContact O-N 3.23Å
264E57.1Low72.5Confident155 Ų15581.5 Ų81.572%0.72443%0.428SS*.G310 helixtrans-52.6-32.9-176.8-69-178.8173.500113.9K262 D266 A267K262-E264 PolarHBondContact O-N 3.48Å; E264-D266 PolarHBondContact O-N 3.17Å; E264-A267 PolarHBondContact O-N 3.05Å
265L57Low72.7Confident167 Ų16779.4 Ų79.487%0.87441%0.406SS*.G310 helixtrans-68.7-22.5-179.6-73.3169000113.4E263E263-L265 PolarHBondContact O-N 3.43Å; E263-L265 VanDerWaalsContact O-N 3.08Å
266D59.7Low72.9Confident72 Ų7278.6 Ų78.639%0.38540%0.402SS..G310 helixtrans-99.8-8.9-179.3-98.3-15.9000112.9K251 E263 E264 W268K251-D266 IonicContact NZ-OD1 2.72Å; K251-D266 PolarHBondContact NZ-OD1 3.48Å; K251-D266 IonicContact NZ-OD2 2.86Å; K251-D266 PolarHBondContact NZ-OD2 3.2Å; E263-D266 HydrophobicContact CB-CB 4.48Å; E263-D266 PolarHBondContact O-N 3.41Å; E264-D266 PolarHBondContact O-N 3.17Å; D266-W268 VanDerWaalsContact C-N 3.32Å; D266-W268 PolarHBondContact O-N 3.18Å
267A64.4Low73.2Confident33 Ų3381.7 Ų81.727%0.27342%0.42SS..  trans-88.719.8-174.700000114.6E263 E264E263-A267 PolarHBondContact O-N 3.23Å; E264-A267 PolarHBondContact O-N 3.05Å
268W76.6Confident73.6Confident111 Ų11185.5 Ų85.542%0.4244%0.436SS..  trans-66.5142.3174.674.4-80.4000110.5S249 D266S249-W268 VanDerWaalsContact CA-CH2 3.46Å; S249-W268 WeakPolarHBondContact CB-O 3.09Å; S249-W268 PolarHBondContact OG-O 3.22Å; D266-W268 VanDerWaalsContact C-N 3.32Å; D266-W268 PolarHBondContact O-N 3.18Å
269I79.7Confident74.1Confident40 Ų4087.1 Ų87.121%0.20544%0.439CS..  trans-103.6-49.9-176.2-58.7170.7000111.4I210 L212 L226 I228 S249 L259I210-I269 HydrophobicContact CD1-CG2 3.91Å; L212-I269 HydrophobicContact CD2-CG2 3.37Å; L226-I269 HydrophobicContact CD2-CD1 4.35Å; L226-I269 HydrophobicContact CD2-CG2 3.86Å; I228-I269 HydrophobicContact CD1-CD1 4.44Å; S249-I269 PolarHBondContact N-O 3.31Å; L259-I269 HydrophobicContact CD2-CD1 4.33Å; L259-I269 HydrophobicContact CD2-CG1 3.89Å
270L84.6Confident74.6Confident35 Ų3591.7 Ų91.718%0.18346%0.458CS..EExtended strand (participates in β ladder)trans-152.3163-18063.686000111.6P213 L225 L226 S247 V248 L272P213-L270 HydrophobicContact CG-CD2 3.9Å; L225-L270 HydrophobicContact CD1-CD2 3.97Å; L225-L270 HydrophobicContact CD2-CD1 4.22Å; L225-L270 HydrophobicContact CD2-CD2 3.92Å; L225-L270 HydrophobicContact CG-CD2 3.86Å; L226-L270 HydrophobicContact CD2-CD2 3.96Å; S247-L270 CarbonylContact O-C 3.4Å; S247-L270 VanDerWaalsContact O-CA 3.25Å; S247-L270 WeakPolarHBondContact O-CA 3.44Å; S247-L270 WeakPolarHBondContact O-CB 3.39Å; V248-L270 HydrophobicContact CG2-CB 4.27Å; L270-L272 HydrophobicContact CD1-CD2 3.99Å; L270-L272 HydrophobicContact CD1-CG 3.95Å
271S83.5Confident75.1Confident50 Ų5095.5 Ų95.535%0.3547%0.473SS..EExtended strand (participates in β ladder)trans-120.4136.6172.2-179.50000109.8S246 S247S246-S271 WeakPolarHBondContact CB-O 3.48Å; S246-S271 PolarHBondContact N-O 2.91Å; S247-S271 PolarHBondContact N-O 3.19Å; S247-S271 PolarHBondContact O-N 3.36Å; S247-S271 VanDerWaalsContact OG-CB 3.27Å; S247-S271 WeakPolarHBondContact OG-CB 3.34Å
272L85.2Confident75.7Confident35 Ų3597.9 Ų97.918%0.18348%0.483CS..EExtended strand (participates in β ladder)trans-99.5142.5171.8-63.4175.4000110V219 L241 V244 V245 L270 V275V219-L272 HydrophobicContact CG2-CD2 3.8Å; L241-L272 HydrophobicContact CB-CD1 4.31Å; V244-L272 CarbonylContact O-C 3.58Å; V244-L272 WeakPolarHBondContact O-CA 3.29Å; V245-L272 HydrophobicContact CG2-CD2 3.98Å; L270-L272 HydrophobicContact CD1-CD2 3.99Å; L270-L272 HydrophobicContact CD1-CG 3.95Å; L272-V275 HydrophobicContact CB-CG2 3.8Å
273R86.5Confident76.1Confident121 Ų12197.3 Ų97.346%0.45749%0.487SS..EExtended strand (participates in β ladder)trans-117.4168.3167.668.7178.2-165.8-159.5-0.2109.7V244 V275V244-R273 HydrophobicContact CB-CG 3.99Å; V244-R273 HydrophobicContact CG1-CG 4.48Å; V244-R273 PolarHBondContact N-O 3.1Å; V244-R273 WeakPolarHBondContact O-CG 3.4Å; V244-R273 PolarHBondContact O-N 3.28Å; R273-V275 PolarHBondContact O-N 3.12Å
274E85.1Confident76.9Confident145 Ų14595.7 Ų95.768%0.67848%0.481SS*.SBendtrans54.840.7179.2-61.6168.3-147.500111.6
275V83.8Confident77.9Confident44 Ų4492.5 Ų92.527%0.26747%0.468SS..  trans-72.9136.9-178.1175.70000109.6L241 T242 L272 R273 V277 F280L241-V275 HydrophobicContact CB-CG1 4.05Å; L241-V275 HydrophobicContact CD1-CG1 3.67Å; L241-V275 HydrophobicContact CD2-CG1 4.33Å; L241-V275 HydrophobicContact CG-CG1 4.22Å; T242-V275 WeakPolarHBondContact O-CA 3.38Å; L272-V275 HydrophobicContact CB-CG2 3.8Å; R273-V275 PolarHBondContact O-N 3.12Å; V275-V277 PolarHBondContact O-N 3.43Å; V275-F280 HydrophobicContact CG1-CB 4.15Å
276D83.7Confident79.1Confident69 Ų6988.4 Ų88.437%0.36945%0.446SS..  trans-64.4122.2171.9-168.9-69.1000110.3T242 D278 E279 F280T242-D276 PolarHBondContact O-N 3.4Å; D276-D278 WeakPolarHBondContact OD1-CB 3.37Å; D276-D278 PolarHBondContact OD1-N 2.89Å; D276-E279 HydrophobicContact CB-CB 4.13Å; D276-E279 HydrophobicContact CB-CG 4Å; D276-E279 PolarHBondContact O-N 3.27Å; D276-E279 PolarHBondContact OD1-N 3.08Å; D276-E279 VanDerWaalsContact OD1-N 3.13Å; D276-F280 PolarHBondContact O-N 3.37Å
277V84.3Confident80.2Confident91 Ų9189.4 Ų89.455%0.55245%0.449SS*.Hα-helixtrans-69.6-36.3-173.6-177.80000111.1V275 E279 F280 E281V275-V277 PolarHBondContact O-N 3.43Å; V277-E279 VanDerWaalsContact C-N 3.34Å; V277-F280 PolarHBondContact O-N 3.19Å; V277-E281 HydrophobicContact CG1-CG 4.42Å; V277-E281 WeakPolarHBondContact O-CG 3.22Å; V277-E281 PolarHBondContact O-N 2.95Å
278D82.2Confident81.2Confident112 Ų11292.9 Ų92.960%0.59946%0.46SS*.Hα-helixtrans-68.7-38.1179.9-65.1-29000109.9D276 N282D276-D278 WeakPolarHBondContact OD1-CB 3.37Å; D276-D278 PolarHBondContact OD1-N 2.89Å; D278-N282 WeakPolarHBondContact O-CB 3.37Å; D278-N282 PolarHBondContact O-N 3.42Å; D278-N282 PolarHBondContact O-ND2 3.28Å
279E82.6Confident81.5Confident61 Ų6191.7 Ų91.729%0.28546%0.463SS..Hα-helixtrans-67-39.5173.8-65.6-177.5172.100112L241 T242 D276 V277 N282 L283L241-E279 VanDerWaalsContact CD2-C 3.44Å; L241-E279 HydrophobicContact CD2-CB 3.63Å; T242-E279 WeakPolarHBondContact CA-OE2 3.43Å; T242-E279 WeakPolarHBondContact CB-OE2 3.33Å; T242-E279 PolarHBondContact N-OE2 2.68Å; T242-E279 PolarHBondContact OG1-OE1 3.05Å; T242-E279 PolarHBondContact OG1-OE2 3.2Å; D276-E279 HydrophobicContact CB-CB 4.13Å; D276-E279 HydrophobicContact CB-CG 4Å; D276-E279 PolarHBondContact O-N 3.27Å; D276-E279 PolarHBondContact OD1-N 3.08Å; D276-E279 VanDerWaalsContact OD1-N 3.13Å; V277-E279 VanDerWaalsContact C-N 3.34Å; E279-N282 PolarHBondContact O-N 3.46Å; E279-L283 PolarHBondContact O-N 3.42Å
280F78.6Confident81.7Confident131 Ų13195.4 Ų95.458%0.57548%0.481SS*.Hα-helixtrans-66.4-38.1178-177-99.5000113L241 V275 D276 V277 N282L241-F280 HydrophobicContact CD1-CD2 3.82Å; L241-F280 HydrophobicContact CD2-CB 4.27Å; V275-F280 HydrophobicContact CG1-CB 4.15Å; D276-F280 PolarHBondContact O-N 3.37Å; V277-F280 PolarHBondContact O-N 3.19Å; F280-N282 PolarHBondContact O-N 2.8Å
281E78.3Confident81.5Confident147 Ų147100 Ų10069%0.68750%0.504SS*.Hα-helixtrans-71.7-16.9176.5-72.2-171.6173.800113.5V277V277-E281 HydrophobicContact CG1-CG 4.42Å; V277-E281 WeakPolarHBondContact O-CG 3.22Å; V277-E281 PolarHBondContact O-N 2.95Å
282N77.9Confident81.3Confident140 Ų140104.2 Ų104.275%0.74952%0.517SS*.THydrogen-bonded Turntrans-98.4-0.7-179.2-76.6-51.7000114.7D278 E279 F280D278-N282 WeakPolarHBondContact O-CB 3.37Å; D278-N282 PolarHBondContact O-N 3.42Å; D278-N282 PolarHBondContact O-ND2 3.28Å; E279-N282 PolarHBondContact O-N 3.46Å; F280-N282 PolarHBondContact O-N 2.8Å
283L67.3Low80.9Confident154 Ų154110.5 Ų110.581%0.80655%0.547SS*.  trans-74.50172.3-77.2176000112.3P240 L241 E279P240-L283 HydrophobicContact CB-CD1 4.5Å; P240-L283 HydrophobicContact CB-CD2 4.16Å; L241-L283 HydrophobicContact CD1-CD1 3.68Å; L241-L283 HydrophobicContact CD2-CD1 3.54Å; L241-L283 HydrophobicContact CD2-CG 3.99Å; L241-L283 HydrophobicContact CG-CD1 3.67Å; E279-L283 PolarHBondContact O-N 3.42Å

Retrieved 283 of 283 residues in 581 ms (Link to these results)

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