A0A077ZF81_TRITR Loading...

Asp protease 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M77.4Confident88Confident120 Ų12062.2 Ų62.259%0.59135%0.35SS*.  01590-58.4-155.7-70.300107.9D12 V13 M14 A83M1-D12 HydrophobicContact CB-CB 3.83Å; M1-D12 HydrophobicContact CE-CB 3.55Å; M1-D12 HydrophobicContact SD-CB 4.1Å; M1-V13 CarbonylContact C-O 3.42Å; M1-V13 WeakPolarHBondContact CA-O 3.38Å; M1-V13 WeakPolarHBondContact CB-O 3.19Å; M1-M14 HydrophobicContact CG-CB 4.46Å; M1-A83 HydrophobicContact SD-CB 3.93Å
2I77.9Confident87.5Confident39 Ų3963.4 Ų63.420%0.236%0.355CS..EExtended strand (participates in β ladder)trans-123.4145.6177.962.3176.6000109.8D12 V13 I15 V66I2-D12 WeakPolarHBondContact O-CA 3.4Å; I2-V13 HydrophobicContact CD1-CG2 4.18Å; I2-V13 HydrophobicContact CG1-CG2 3.52Å; I2-V13 PolarHBondContact N-O 3.01Å; I2-V13 WeakPolarHBondContact O-CG2 2.94Å; I2-V13 PolarHBondContact O-N 2.78Å; I2-I15 HydrophobicContact CD1-CD1 3.53Å; I2-I15 HydrophobicContact CD1-CG1 3.82Å; I2-I15 HydrophobicContact CG1-CG1 4.5Å; I2-V66 HydrophobicContact CD1-CG1 3.53Å; I2-V66 HydrophobicContact CG1-CG1 4.44Å
3P82.2Confident87.5Confident101 Ų10158.5 Ų58.566%0.65633%0.328SS*.EExtended strand (participates in β ladder)trans-63.7136.5174.7-22.433.6000111.6
4A89.1Confident87.5Confident8 Ų857.1 Ų57.17%0.06632%0.318CS..EExtended strand (participates in β ladder)trans-147.5168.317400000111.1C11 V13 S65 V66A4-C11 PolarHBondContact N-O 3.41Å; A4-C11 PolarHBondContact O-N 2.85Å; A4-V13 HydrophobicContact CB-CB 4.34Å; A4-V13 HydrophobicContact CB-CG1 3.68Å; A4-V13 HydrophobicContact CB-CG2 3.69Å; A4-S65 CarbonylContact C-O 3.57Å; A4-S65 WeakPolarHBondContact CA-O 3.25Å; A4-S65 WeakPolarHBondContact CB-O 3.35Å; A4-V66 HydrophobicContact CB-CG2 3.72Å
5C90.9Very high87.1Confident41 Ų4156.6 Ų56.628%0.27731%0.314SS..EExtended strand (participates in β ladder)trans-122133.9165.2-58.30000109.9Y9 V64 S65C5-Y9 WeakPolarHBondContact CA-O 3.48Å; C5-V64 CarbonylContact O-C 3.53Å; C5-V64 WeakPolarHBondContact O-CA 3.46Å; C5-S65 PolarHBondContact N-O 2.99Å; C5-S65 PolarHBondContact O-N 2.76Å
6I93.7Very high86.7Confident0 Ų054.9 Ų54.90%030%0.304CS..EExtended strand (participates in β ladder)trans-110105.3170.6-58.6-179.1000106.8D8 Y9 L24 L32 L62 R63 F75 A85I6-D8 PolarHBondContact O-N 3.21Å; I6-Y9 PolarHBondContact N-O 3.16Å; I6-Y9 WeakPolarHBondContact O-CB 3.35Å; I6-Y9 PolarHBondContact O-N 2.64Å; I6-L24 HydrophobicContact CD1-CD1 3.5Å; I6-L24 VanDerWaalsContact CD1-CD1 3.5Å; I6-L32 HydrophobicContact CG2-CD1 4.31Å; I6-L62 HydrophobicContact CG2-CB 3.78Å; I6-L62 HydrophobicContact CG2-CD1 3.53Å; I6-L62 HydrophobicContact CG2-CG 4.31Å; I6-R63 CarbonylContact C-O 3.58Å; I6-R63 WeakPolarHBondContact CA-O 3.5Å; I6-F75 HydrophobicContact CD1-CZ 4.19Å; I6-A85 HydrophobicContact CD1-CB 3.62Å
7N92.9Very high85.8Confident46 Ų4657.7 Ų57.725%0.24632%0.323CS..THydrogen-bonded Turntrans47.9-109.5-156.1-65.9-16.5000109.9L32 R63N7-L32 HydrophobicContact CB-CD2 4.49Å; N7-R63 PolarHBondContact N-O 2.69Å; N7-R63 WeakPolarHBondContact OD1-CB 3.42Å; N7-R63 PolarHBondContact OD1-N 3.15Å
8D88.3Confident85Confident149 Ų14956.8 Ų56.880%0.79733%0.329SS*.THydrogen-bonded Turntrans-103.3-2.3-172.1-27.1-34.5000111.3I6I6-D8 PolarHBondContact O-N 3.21Å
9Y93.7Very high84.3Confident71 Ų7153.9 Ų53.928%0.27831%0.312SS..EExtended strand (participates in β ladder)trans-91.6109-179.4-174.8-92.7000110.4C5 I6 C11 V28 A31 D84C5-Y9 WeakPolarHBondContact CA-O 3.48Å; I6-Y9 PolarHBondContact N-O 3.16Å; I6-Y9 WeakPolarHBondContact O-CB 3.35Å; I6-Y9 PolarHBondContact O-N 2.64Å; Y9-C11 HydrophobicContact CD1-CB 3.77Å; Y9-C11 HydrophobicContact CE1-CB 3.57Å; Y9-V28 HydrophobicContact CD1-CG1 3.79Å; Y9-V28 HydrophobicContact CE1-CG1 4.06Å; Y9-V28 HydrophobicContact CE1-CG2 3.94Å; Y9-V28 HydrophobicContact CG-CG1 4.25Å; Y9-A31 HydrophobicContact CD2-CB 4.18Å; Y9-A31 HydrophobicContact CE2-CB 3.92Å; Y9-D84 HydrophobicContact CE1-CB 4.34Å; Y9-D84 WeakPolarHBondContact CE1-OD2 3.46Å; Y9-D84 PolarHBondContact OH-OD2 2.87Å
10C92Very high83.6Confident98 Ų9854.2 Ų54.266%0.66232%0.317SS*.EExtended strand (participates in β ladder)trans-76.7125.1174.9-620000110.2
11C89.7Confident83.4Confident11 Ų1151.9 Ų51.97%0.07430%0.304CS..EExtended strand (participates in β ladder)trans-148.9164.4-176.162.20000112.9A4 Y9 D84A4-C11 PolarHBondContact N-O 3.41Å; A4-C11 PolarHBondContact O-N 2.85Å; Y9-C11 HydrophobicContact CD1-CB 3.77Å; Y9-C11 HydrophobicContact CE1-CB 3.57Å; C11-D84 HydrophobicContact CB-CB 3.75Å; C11-D84 VanDerWaalsContact CB-OD2 3.26Å; C11-D84 WeakPolarHBondContact CB-OD2 3.16Å
12D82.1Confident84Confident77 Ų7746.2 Ų46.241%0.41228%0.276SS..EExtended strand (participates in β ladder)trans-92.4124.1166.7-78.7-38.8000110.1M1 I2M1-D12 HydrophobicContact CB-CB 3.83Å; M1-D12 HydrophobicContact CE-CB 3.55Å; M1-D12 HydrophobicContact SD-CB 4.1Å; I2-D12 WeakPolarHBondContact O-CA 3.4Å
13V87.5Confident84.7Confident0 Ų044.5 Ų44.50%027%0.267CS..EExtended strand (participates in β ladder)trans-107146.4178.7-57.10000111.1M1 I2 A4 A85 L87M1-V13 CarbonylContact C-O 3.42Å; M1-V13 WeakPolarHBondContact CA-O 3.38Å; M1-V13 WeakPolarHBondContact CB-O 3.19Å; I2-V13 HydrophobicContact CD1-CG2 4.18Å; I2-V13 HydrophobicContact CG1-CG2 3.52Å; I2-V13 PolarHBondContact N-O 3.01Å; I2-V13 WeakPolarHBondContact O-CG2 2.94Å; I2-V13 PolarHBondContact O-N 2.78Å; A4-V13 HydrophobicContact CB-CB 4.34Å; A4-V13 HydrophobicContact CB-CG1 3.68Å; A4-V13 HydrophobicContact CB-CG2 3.69Å; V13-A85 WeakPolarHBondContact CA-O 3.47Å; V13-A85 HydrophobicContact CG1-CB 3.91Å; V13-L87 HydrophobicContact CB-CD1 4.14Å; V13-L87 HydrophobicContact CB-CG 4.25Å; V13-L87 HydrophobicContact CG2-CD1 3.54Å; V13-L87 HydrophobicContact CG2-CG 4.18Å
14M87.2Confident85.3Confident39 Ų3939.7 Ų39.719%0.19224%0.236CC..EExtended strand (participates in β ladder)trans-98.4119.2175.6-174.61676600109.6M1 D16 V82 A83 A85 I86 L87M1-M14 HydrophobicContact CG-CB 4.46Å; M14-D16 HydrophobicContact CE-CB 4.48Å; M14-D16 PolarHBondContact O-N 3.3Å; M14-V82 HydrophobicContact CE-CG2 4.44Å; M14-A83 HydrophobicContact CB-CB 4.45Å; M14-A85 PolarHBondContact N-O 3.38Å; M14-I86 HydrophobicContact CB-CG1 4.41Å; M14-I86 HydrophobicContact CE-CD1 3.45Å; M14-I86 VanDerWaalsContact CE-CD1 3.45Å; M14-I86 HydrophobicContact CE-CG1 3.72Å; M14-I86 HydrophobicContact CE-CG2 4.48Å; M14-I86 CarbonylContact O-C 3.6Å; M14-I86 WeakPolarHBondContact O-CA 3.29Å; M14-L87 PolarHBondContact O-N 3.37Å
15I82.8Confident85.6Confident49 Ų4939.4 Ų39.425%0.25123%0.234SC..EExtended strand (participates in β ladder)trans-74122.3163.4-65.7179.7000107.6I2 L92 V98I2-I15 HydrophobicContact CD1-CD1 3.53Å; I2-I15 HydrophobicContact CD1-CG1 3.82Å; I2-I15 HydrophobicContact CG1-CG1 4.5Å; I15-L92 HydrophobicContact CD1-CD2 4.37Å; I15-L92 HydrophobicContact CG2-CD1 3.81Å; I15-L92 HydrophobicContact CG2-CD2 3.76Å; I15-L92 HydrophobicContact CG2-CG 4.18Å; I15-V98 HydrophobicContact CD1-CG2 3.7Å
16D80.4Confident85.8Confident29 Ų2938.6 Ų38.616%0.15523%0.226CC..  trans-130.199.2-178.5-169.6-4.3000110.8M14 G18 S19 I86 L87M14-D16 HydrophobicContact CE-CB 4.48Å; M14-D16 PolarHBondContact O-N 3.3Å; D16-G18 PolarHBondContact O-N 2.95Å; D16-G18 VanDerWaalsContact OD1-CA 3.29Å; D16-G18 WeakPolarHBondContact OD1-CA 3.39Å; D16-G18 PolarHBondContact OD1-N 3.29Å; D16-S19 WeakPolarHBondContact O-CB 3.28Å; D16-S19 PolarHBondContact O-N 3.16Å; D16-S19 PolarHBondContact OD1-N 3.28Å; D16-I86 HydrophobicContact CB-CG2 3.49Å; D16-I86 VanDerWaalsContact CB-CG2 3.49Å; D16-L87 PolarHBondContact N-O 2.94Å
17T70.7Confident85.8Confident103 Ų10345.7 Ų45.763%0.63225%0.253SS*.THydrogen-bonded Turntrans-67.3-16.9174.257.80000112.9M89 L92T17-M89 VanDerWaalsContact CA-SD 3.53Å; T17-M89 HydrophobicContact CG2-SD 3.9Å; T17-M89 WeakPolarHBondContact O-CG 3.2Å; T17-L92 HydrophobicContact CG2-CD1 3.68Å
18G71.1Confident85.9Confident42 Ų4243.5 Ų43.543%0.43324%0.241SC..THydrogen-bonded Turntrans-77.7-11.2171.600000112.5D16 T130D16-G18 PolarHBondContact O-N 2.95Å; D16-G18 VanDerWaalsContact OD1-CA 3.29Å; D16-G18 WeakPolarHBondContact OD1-CA 3.39Å; D16-G18 PolarHBondContact OD1-N 3.29Å; G18-T130 WeakPolarHBondContact O-CB 3.24Å; G18-T130 WeakPolarHBondContact O-CG2 3.39Å; G18-T130 PolarHBondContact O-OG1 3.09Å
19S72.9Confident86.3Confident1 Ų136.6 Ų36.61%0.00721%0.205CC..  trans-101.6121178.1-163.40000109.5D16 V21 G88 M89 T130 V131D16-S19 WeakPolarHBondContact O-CB 3.28Å; D16-S19 PolarHBondContact O-N 3.16Å; D16-S19 PolarHBondContact OD1-N 3.28Å; S19-V21 VanDerWaalsContact C-N 3.32Å; S19-V21 PolarHBondContact O-N 3.45Å; S19-V21 PolarHBondContact OG-O 3.1Å; S19-G88 CarbonylContact O-C 3.53Å; S19-G88 WeakPolarHBondContact O-CA 3.48Å; S19-M89 PolarHBondContact O-N 2.63Å; S19-T130 WeakPolarHBondContact CA-OG1 3.45Å; S19-V131 WeakPolarHBondContact OG-CG2 3.19Å
20S70.6Confident86.4Confident60 Ų6038.4 Ų38.442%0.4222%0.216SC..SBendtrans-75.1-13177.1-60.70000115.1D90 V131S20-D90 PolarHBondContact O-N 3.2Å; S20-V131 VanDerWaalsContact N-CG2 3.34Å
21V78.7Confident86.5Confident6 Ų636.8 Ų36.84%0.03621%0.21CC..SBendtrans-143.8156.6-172-65.60000108S19 L23 I76 D90 V131 V134S19-V21 VanDerWaalsContact C-N 3.32Å; S19-V21 PolarHBondContact O-N 3.45Å; S19-V21 PolarHBondContact OG-O 3.1Å; V21-L23 HydrophobicContact CG2-CD2 3.96Å; V21-I76 HydrophobicContact CG2-CG1 3.6Å; V21-D90 VanDerWaalsContact C-OD1 3.23Å; V21-D90 VanDerWaalsContact CA-OD1 3.27Å; V21-D90 WeakPolarHBondContact CA-OD1 3.15Å; V21-D90 WeakPolarHBondContact CA-OD2 3.27Å; V21-D90 WeakPolarHBondContact CB-OD2 3.15Å; V21-V131 VanDerWaalsContact CA-CG1 3.5Å; V21-V131 HydrophobicContact CB-CB 3.87Å; V21-V131 HydrophobicContact CB-CG1 3.17Å; V21-V131 HydrophobicContact CB-CG2 3.64Å; V21-V131 HydrophobicContact CG1-CB 4.28Å; V21-V131 HydrophobicContact CG1-CG1 3.07Å; V21-V131 HydrophobicContact CG2-CB 3.63Å; V21-V131 HydrophobicContact CG2-CG1 3.32Å; V21-V131 HydrophobicContact CG2-CG2 3.32Å; V21-V131 VanDerWaalsContact N-CB 3.25Å; V21-V131 WeakPolarHBondContact O-CG2 3.45Å; V21-V134 HydrophobicContact CG1-CG2 4.29Å
22S89.9Confident86.8Confident0 Ų037.5 Ų37.50%021%0.212CC..  trans-89.4136.8176.5-53.40000111.3F73 I76 I86 L87 G88 D90S22-F73 VanDerWaalsContact CB-CE1 3.44Å; S22-F73 WeakPolarHBondContact OG-CE1 3.45Å; S22-I76 PolarHBondContact O-N 2.73Å; S22-I76 VanDerWaalsContact O-N 3.1Å; S22-I86 CarbonylContact C-O 2.91Å; S22-I86 WeakPolarHBondContact CA-O 3.43Å; S22-I86 WeakPolarHBondContact CB-O 3.39Å; S22-L87 WeakPolarHBondContact OG-CA 3.43Å; S22-G88 PolarHBondContact OG-N 3.14Å; S22-D90 VanDerWaalsContact N-CG 3.28Å; S22-D90 PolarHBondContact N-OD1 3.15Å; S22-D90 PolarHBondContact N-OD2 3.02Å; S22-D90 PolarHBondContact OG-OD1 3.18Å; S22-D90 PolarHBondContact OG-OD2 3.34Å
23L92.8Very high87.5Confident4 Ų437 Ų372%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-113.9143.5-178.1-53.1179.8000109.2V21 L46 I76 V78 L81 A85 I86V21-L23 HydrophobicContact CG2-CD2 3.96Å; L23-L46 HydrophobicContact CD2-CD1 3.87Å; L23-I76 WeakPolarHBondContact CA-O 3.4Å; L23-I76 HydrophobicContact CD2-CB 3.83Å; L23-I76 HydrophobicContact CD2-CG1 4.34Å; L23-V78 HydrophobicContact CB-CG2 4.18Å; L23-V78 HydrophobicContact CD2-CG1 4.24Å; L23-L81 HydrophobicContact CB-CD1 4.21Å; L23-L81 HydrophobicContact CB-CD2 3.98Å; L23-L81 HydrophobicContact CD1-CD1 4.17Å; L23-A85 CarbonylContact O-C 3.59Å; L23-A85 VanDerWaalsContact O-CA 3.27Å; L23-A85 WeakPolarHBondContact O-CA 3.14Å; L23-A85 WeakPolarHBondContact O-CB 3.49Å; L23-I86 HydrophobicContact CB-CB 4.31Å; L23-I86 PolarHBondContact N-O 3.48Å; L23-I86 PolarHBondContact O-N 3.29Å
24L95.4Very high87.8Confident0 Ų040.5 Ų40.50%023%0.234CC..EExtended strand (participates in β ladder)trans-121.7136.5173.8-172.567000109.6I6 V28 V29 I60 L62 F75 I76 I77 V78 D84 A85I6-L24 HydrophobicContact CD1-CD1 3.5Å; I6-L24 VanDerWaalsContact CD1-CD1 3.5Å; L24-V28 HydrophobicContact CD1-CB 3.93Å; L24-V28 HydrophobicContact CD1-CG1 3.84Å; L24-V28 HydrophobicContact CD1-CG2 4.33Å; L24-V28 HydrophobicContact CG-CB 4.24Å; L24-V28 HydrophobicContact CG-CG1 4.44Å; L24-V29 HydrophobicContact CD2-CG2 3.69Å; L24-V29 HydrophobicContact CG-CG2 4.29Å; L24-I60 HydrophobicContact CD2-CG2 4.01Å; L24-L62 HydrophobicContact CD2-CD1 3.59Å; L24-F75 HydrophobicContact CB-CB 3.65Å; L24-F75 HydrophobicContact CB-CD1 3.98Å; L24-F75 HydrophobicContact CB-CG 3.86Å; L24-F75 HydrophobicContact CD2-CB 4.49Å; L24-I76 PolarHBondContact N-O 3.14Å; L24-I77 WeakPolarHBondContact O-CA 3.42Å; L24-V78 PolarHBondContact O-N 2.92Å; L24-D84 WeakPolarHBondContact CD1-O 3.28Å; L24-A85 HydrophobicContact CD1-CB 3.88Å
25S94.5Very high88.2Confident2 Ų243.3 Ų43.31%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-66.7134.3173.7-170.20000110.4R27 V28 V29 D84S25-R27 PolarHBondContact O-N 3.5Å; S25-R27 VanDerWaalsContact O-N 3.15Å; S25-V28 PolarHBondContact O-N 3.4Å; S25-V29 PolarHBondContact O-N 3.29Å; S25-D84 WeakPolarHBondContact CB-O 3.35Å; S25-D84 PolarHBondContact N-O 2.81Å
26D94.6Very high88.6Confident23 Ų2347.3 Ų47.312%0.12327%0.269CS..Hα-helixtrans-55.4-29.8173.165-21.9000112.9V28 V29 Q30 K57 I77 V78D26-V28 VanDerWaalsContact C-N 3.32Å; D26-V28 PolarHBondContact O-N 3.35Å; D26-V29 WeakPolarHBondContact O-CB 3.45Å; D26-V29 PolarHBondContact O-N 3.33Å; D26-Q30 WeakPolarHBondContact O-CG 3.44Å; D26-Q30 PolarHBondContact O-N 3.45Å; D26-K57 HydrophobicContact CB-CG 4.42Å; D26-I77 HydrophobicContact CB-CG2 3.85Å; D26-V78 PolarHBondContact N-O 3.08Å
27R94.7Very high89.3Confident149 Ų14949.9 Ų49.956%0.56228%0.282SS*.Hα-helixtrans-60.7-36.9173.7-60-180-177.9-172.6-4.2113.4S25 Q30 A31S25-R27 PolarHBondContact O-N 3.5Å; S25-R27 VanDerWaalsContact O-N 3.15Å; R27-Q30 PolarHBondContact O-N 2.93Å; R27-A31 WeakPolarHBondContact O-CB 3.46Å; R27-A31 PolarHBondContact O-N 3.48Å
28V95.5Very high90.3Very high0 Ų047 Ų470%026%0.264CS..Hα-helixtrans-71.4-37.1179.4177.40000110.1Y9 L24 S25 D26 Q30 A31 L32 D84Y9-V28 HydrophobicContact CD1-CG1 3.79Å; Y9-V28 HydrophobicContact CE1-CG1 4.06Å; Y9-V28 HydrophobicContact CE1-CG2 3.94Å; Y9-V28 HydrophobicContact CG-CG1 4.25Å; L24-V28 HydrophobicContact CD1-CB 3.93Å; L24-V28 HydrophobicContact CD1-CG1 3.84Å; L24-V28 HydrophobicContact CD1-CG2 4.33Å; L24-V28 HydrophobicContact CG-CB 4.24Å; L24-V28 HydrophobicContact CG-CG1 4.44Å; S25-V28 PolarHBondContact O-N 3.4Å; D26-V28 VanDerWaalsContact C-N 3.32Å; D26-V28 PolarHBondContact O-N 3.35Å; V28-Q30 VanDerWaalsContact C-N 3.33Å; V28-Q30 PolarHBondContact O-N 3.4Å; V28-A31 PolarHBondContact O-N 3.02Å; V28-L32 HydrophobicContact CG1-CD1 4.01Å; V28-L32 WeakPolarHBondContact O-CB 3.45Å; V28-L32 WeakPolarHBondContact O-CG 3.3Å; V28-L32 PolarHBondContact O-N 3.4Å; V28-D84 HydrophobicContact CG2-CB 3.66Å
29V96Very high91.2Very high4 Ų448 Ų482%0.02426%0.264CS..Hα-helixtrans-63-42.4175-176.10000110.9L24 S25 D26 L32 A33 K34 E35 V38 I60 I77L24-V29 HydrophobicContact CD2-CG2 3.69Å; L24-V29 HydrophobicContact CG-CG2 4.29Å; S25-V29 PolarHBondContact O-N 3.29Å; D26-V29 WeakPolarHBondContact O-CB 3.45Å; D26-V29 PolarHBondContact O-N 3.33Å; V29-L32 PolarHBondContact O-N 3Å; V29-A33 PolarHBondContact O-N 3.34Å; V29-A33 VanDerWaalsContact O-N 3.1Å; V29-K34 HydrophobicContact CG1-CB 4.21Å; V29-K34 PolarHBondContact O-N 3.16Å; V29-E35 HydrophobicContact CG1-CG 4.23Å; V29-V38 HydrophobicContact CG1-CG2 3.83Å; V29-I60 HydrophobicContact CG1-CD1 4.28Å; V29-I77 HydrophobicContact CG1-CD1 4.32Å; V29-I77 HydrophobicContact CG2-CD1 3.61Å; V29-I77 HydrophobicContact CG2-CG1 3.87Å; V29-I77 HydrophobicContact CG2-CG2 4.05Å
30Q95Very high91.7Very high109 Ų10950.8 Ų50.851%0.50929%0.293SS..Hα-helixtrans-64.7-44.5174.6-69.1167.54.300112.2D26 R27 V28 L32 A33 E35D26-Q30 WeakPolarHBondContact O-CG 3.44Å; D26-Q30 PolarHBondContact O-N 3.45Å; R27-Q30 PolarHBondContact O-N 2.93Å; V28-Q30 VanDerWaalsContact C-N 3.33Å; V28-Q30 PolarHBondContact O-N 3.4Å; Q30-L32 PolarHBondContact O-N 3.33Å; Q30-A33 PolarHBondContact O-N 2.7Å; Q30-E35 WeakPolarHBondContact CA-OE1 3.35Å; Q30-E35 HydrophobicContact CG-CG 4.39Å; Q30-E35 WeakPolarHBondContact CG-OE1 3.36Å
31A95.2Very high92.2Very high65 Ų6553.6 Ų53.654%0.53730%0.302SS..Hα-helixtrans-61.5-32.5177.300000112.4Y9 R27 V28Y9-A31 HydrophobicContact CD2-CB 4.18Å; Y9-A31 HydrophobicContact CE2-CB 3.92Å; R27-A31 WeakPolarHBondContact O-CB 3.46Å; R27-A31 PolarHBondContact O-N 3.48Å; V28-A31 PolarHBondContact O-N 3.02Å
32L95.9Very high91.9Very high25 Ų2554.5 Ų54.513%0.13131%0.309CS..THydrogen-bonded Turntrans-83.7-8.3175.4-73.8171.1000113.9I6 N7 V28 V29 Q30 K34 L62I6-L32 HydrophobicContact CG2-CD1 4.31Å; N7-L32 HydrophobicContact CB-CD2 4.49Å; V28-L32 HydrophobicContact CG1-CD1 4.01Å; V28-L32 WeakPolarHBondContact O-CB 3.45Å; V28-L32 WeakPolarHBondContact O-CG 3.3Å; V28-L32 PolarHBondContact O-N 3.4Å; V29-L32 PolarHBondContact O-N 3Å; Q30-L32 PolarHBondContact O-N 3.33Å; L32-K34 HydrophobicContact CB-CB 4.36Å; L32-K34 HydrophobicContact CB-CG 3.74Å; L32-L62 HydrophobicContact CD1-CD1 4.03Å
33A95.5Very high91.1Very high67 Ų6763.7 Ų63.755%0.55436%0.357SS*.THydrogen-bonded Turntrans50.353.6-170.800000112.3V29 Q30 E35V29-A33 PolarHBondContact O-N 3.34Å; V29-A33 VanDerWaalsContact O-N 3.1Å; Q30-A33 PolarHBondContact O-N 2.7Å; A33-E35 VanDerWaalsContact C-OE2 3.26Å; A33-E35 VanDerWaalsContact CA-OE2 3.3Å; A33-E35 WeakPolarHBondContact CA-OE2 3.47Å
34K95.4Very high90Very high74 Ų7465.1 Ų65.132%0.32236%0.364SS..  trans-119.919.6-176.2-65.2-61.6-179.8-175.60113.8V29 L32 D36 I37 I60V29-K34 HydrophobicContact CG1-CB 4.21Å; V29-K34 PolarHBondContact O-N 3.16Å; L32-K34 HydrophobicContact CB-CB 4.36Å; L32-K34 HydrophobicContact CB-CG 3.74Å; K34-D36 PolarHBondContact O-N 3.28Å; K34-I37 HydrophobicContact CB-CD1 4.12Å; K34-I37 HydrophobicContact CB-CG1 3.96Å; K34-I37 HydrophobicContact CD-CD1 3.93Å; K34-I37 HydrophobicContact CD-CG1 4.34Å; K34-I37 HydrophobicContact CG-CD1 4.36Å; K34-I37 WeakPolarHBondContact O-CG1 2.94Å; K34-I37 PolarHBondContact O-N 2.89Å; K34-I60 HydrophobicContact CB-CD1 3.99Å
35E93.9Very high88.8Confident98 Ų9873.8 Ų73.846%0.45840%0.397SS..G310 helixtrans-63.3-29.4-179.6-60.694.314100112.6V29 Q30 A33 I37 V38V29-E35 HydrophobicContact CG1-CG 4.23Å; Q30-E35 WeakPolarHBondContact CA-OE1 3.35Å; Q30-E35 HydrophobicContact CG-CG 4.39Å; Q30-E35 WeakPolarHBondContact CG-OE1 3.36Å; A33-E35 VanDerWaalsContact C-OE2 3.26Å; A33-E35 VanDerWaalsContact CA-OE2 3.3Å; A33-E35 WeakPolarHBondContact CA-OE2 3.47Å; E35-I37 VanDerWaalsContact C-N 3.27Å; E35-I37 PolarHBondContact O-N 3.48Å; E35-V38 WeakPolarHBondContact O-CB 3.21Å; E35-V38 PolarHBondContact O-N 2.84Å
36D93.2Very high87.8Confident133 Ų13373.9 Ų73.971%0.71140%0.397SS*.G310 helixtrans-67-25.1-179.765.7-47.2000113.7K34K34-D36 PolarHBondContact O-N 3.28Å
37I93.1Very high86.8Confident83 Ų8375.3 Ų75.343%0.42640%0.404SS..G310 helixtrans-100.24.8179.164.2162.2000113.3K34 E35 S39 I60 L62K34-I37 HydrophobicContact CB-CD1 4.12Å; K34-I37 HydrophobicContact CB-CG1 3.96Å; K34-I37 HydrophobicContact CD-CD1 3.93Å; K34-I37 HydrophobicContact CD-CG1 4.34Å; K34-I37 HydrophobicContact CG-CD1 4.36Å; K34-I37 WeakPolarHBondContact O-CG1 2.94Å; K34-I37 PolarHBondContact O-N 2.89Å; E35-I37 VanDerWaalsContact C-N 3.27Å; E35-I37 PolarHBondContact O-N 3.48Å; I37-S39 PolarHBondContact O-N 3.05Å; I37-I60 HydrophobicContact CD1-CD1 3.86Å; I37-I60 HydrophobicContact CD1-CG1 4.07Å; I37-I60 HydrophobicContact CG1-CD1 3.77Å; I37-I60 HydrophobicContact CG1-CG1 4.17Å; I37-L62 HydrophobicContact CD1-CD2 4.25Å
38V93.5Very high85.7Confident41 Ų4169.4 Ų69.425%0.24838%0.384CS..  trans-70.1115.6172.8178.70000109V29 E35 I60 I77V29-V38 HydrophobicContact CG1-CG2 3.83Å; E35-V38 WeakPolarHBondContact O-CB 3.21Å; E35-V38 PolarHBondContact O-N 2.84Å; V38-I60 HydrophobicContact CG2-CD1 4.19Å; V38-I77 HydrophobicContact CB-CD1 4.09Å; V38-I77 HydrophobicContact CG1-CD1 3.65Å; V38-I77 HydrophobicContact CG2-CD1 3.32Å
39S89.3Confident84.4Confident63 Ų6372.5 Ų72.544%0.44141%0.409SS..BIsolated β-bridgetrans-78.4166.1174.163.80000111.5I37 G58 E59I37-S39 PolarHBondContact O-N 3.05Å; S39-G58 VanDerWaalsContact O-CA 3.29Å; S39-G58 WeakPolarHBondContact O-CA 3.38Å; S39-E59 PolarHBondContact N-O 2.98Å; S39-E59 PolarHBondContact O-N 3.4Å; S39-E59 VanDerWaalsContact O-N 3.12Å; S39-E59 VanDerWaalsContact OG-CB 3.29Å; S39-E59 WeakPolarHBondContact OG-CB 3.4Å; S39-E59 PolarHBondContact OG-O 3.31Å
40G83.3Confident83.4Confident60 Ų6075.4 Ų75.462%0.61943%0.43SS*.PPolyproline II helixtrans-53.8164.5-170.500000115.5P42G40-P42 VanDerWaalsContact O-CD 3.27Å; G40-P42 WeakPolarHBondContact O-CD 3.37Å
41I80.1Confident82.3Confident119 Ų11974.5 Ų74.561%0.6144%0.435SS*.PPolyproline II helixtrans-69.2116.7-179.3-56.8175.6000108.8V56I41-V56 HydrophobicContact CG2-CB 4.26Å; I41-V56 HydrophobicContact CG2-CG1 4.01Å
42P72.6Confident81.3Confident26 Ų2676.8 Ų76.817%0.16944%0.435CS..PPolyproline II helixtrans-65.9152.5176.627-33.6000110.7G40 I44 V56 E59 I76G40-P42 VanDerWaalsContact O-CD 3.27Å; G40-P42 WeakPolarHBondContact O-CD 3.37Å; P42-I44 HydrophobicContact CB-CB 4.43Å; P42-I44 HydrophobicContact CB-CG2 4.28Å; P42-I44 HydrophobicContact CG-CB 4.36Å; P42-I44 HydrophobicContact CG-CG2 3.72Å; P42-I44 PolarHBondContact O-N 3.35Å; P42-V56 HydrophobicContact CG-CG1 4.2Å; P42-E59 HydrophobicContact CB-CG 4.31Å; P42-E59 WeakPolarHBondContact CB-OE1 3.37Å; P42-E59 HydrophobicContact CG-CG 3.81Å; P42-E59 WeakPolarHBondContact CG-OE1 3.3Å; P42-I76 HydrophobicContact CG-CD1 4.12Å; P42-I76 HydrophobicContact CG-CG2 4.49Å
43L73.8Confident80.4Confident193 Ų19380.2 Ų80.2100%1.0146%0.459SS*.SBendtrans-75.870.1175.8-166.972.7000110
44I69.4Low79.7Confident33 Ų3378.5 Ų78.517%0.16944%0.441CS..  trans-128.4140.6-173.6-160.7173.2000109.3P42 L46 V56 I76 T132P42-I44 HydrophobicContact CB-CB 4.43Å; P42-I44 HydrophobicContact CB-CG2 4.28Å; P42-I44 HydrophobicContact CG-CB 4.36Å; P42-I44 HydrophobicContact CG-CG2 3.72Å; P42-I44 PolarHBondContact O-N 3.35Å; I44-L46 HydrophobicContact CD1-CD2 3.66Å; I44-L46 HydrophobicContact CD1-CG 4.3Å; I44-L46 HydrophobicContact CG1-CD2 3.97Å; I44-L46 HydrophobicContact CG1-CG 4.36Å; I44-L46 HydrophobicContact CG2-CG 4.29Å; I44-V56 HydrophobicContact CG2-CG1 4.37Å; I44-V56 HydrophobicContact CG2-CG2 3.87Å; I44-I76 HydrophobicContact CD1-CG1 4.44Å; I44-T132 VanDerWaalsContact CD1-N 3.31Å; I44-T132 WeakPolarHBondContact CG1-OG1 3.17Å
45R70.5Confident79.3Confident183 Ų18378.6 Ų78.669%0.69145%0.448SS*.  trans-115.2101.4171.5-173.4177.4174.5-165.3-3.4108.8L47R45-L47 HydrophobicContact CG-CD2 4.39Å
46L73.6Confident79.1Confident3 Ų374.8 Ų74.82%0.01643%0.431CS..  trans-86.8131.6176-62.5-174.9000109.9L23 I44 P53 V54 V56 I76 V78L23-L46 HydrophobicContact CD2-CD1 3.87Å; I44-L46 HydrophobicContact CD1-CD2 3.66Å; I44-L46 HydrophobicContact CD1-CG 4.3Å; I44-L46 HydrophobicContact CG1-CD2 3.97Å; I44-L46 HydrophobicContact CG1-CG 4.36Å; I44-L46 HydrophobicContact CG2-CG 4.29Å; L46-P53 WeakPolarHBondContact O-CA 3.27Å; L46-V54 HydrophobicContact CB-CB 3.78Å; L46-V54 HydrophobicContact CB-CG1 4.49Å; L46-V54 HydrophobicContact CB-CG2 4.34Å; L46-V54 PolarHBondContact O-N 2.98Å; L46-V56 HydrophobicContact CB-CG2 4.48Å; L46-V56 HydrophobicContact CD1-CG2 3.61Å; L46-V56 HydrophobicContact CG-CG2 3.94Å; L46-I76 HydrophobicContact CD1-CG2 4.07Å; L46-V78 HydrophobicContact CD1-CG1 3.46Å; L46-V78 VanDerWaalsContact CD1-CG1 3.46Å
47L74.5Confident79Confident54 Ų5472.9 Ų72.928%0.28342%0.417SS..BIsolated β-bridgetrans-121137.9174.6-61.9-178.8000109.9R45 Q52 P53 C129 T130R45-L47 HydrophobicContact CG-CD2 4.39Å; L47-Q52 CarbonylContact C-O 3.47Å; L47-Q52 WeakPolarHBondContact CA-O 3.44Å; L47-P53 HydrophobicContact CD2-CG 4.4Å; L47-C129 CarbonylContact C-O 3.59Å; L47-C129 CarbonylContact O-C 3.55Å; L47-C129 WeakPolarHBondContact O-CB 3.42Å; L47-T130 PolarHBondContact O-N 3.25Å
48N71.2Confident78.9Confident25 Ų2568.9 Ų68.913%0.13440%0.397CS..  trans-81.7179.1172.978.69.9000111.9S50 S51 Q52 V54 S127 K128N48-S50 PolarHBondContact O-N 3.4Å; N48-S50 VanDerWaalsContact O-N 3.08Å; N48-S50 WeakPolarHBondContact OD1-CA 3.31Å; N48-S50 WeakPolarHBondContact OD1-CB 3.36Å; N48-S50 PolarHBondContact OD1-N 2.91Å; N48-S51 WeakPolarHBondContact O-CA 2.97Å; N48-S51 PolarHBondContact O-N 3.2Å; N48-S51 PolarHBondContact OD1-N 3.08Å; N48-Q52 PolarHBondContact N-O 3.25Å; N48-Q52 PolarHBondContact ND2-OE1 3.19Å; N48-Q52 WeakPolarHBondContact OD1-CB 3.42Å; N48-Q52 PolarHBondContact OD1-N 3.36Å; N48-V54 HydrophobicContact CB-CG2 3.98Å; N48-S127 WeakPolarHBondContact CB-O 3.21Å; N48-K128 CarbonylContact C-O 3.54Å
49A68.3Low78.9Confident65 Ų6568.7 Ų68.754%0.53739%0.393SS..THydrogen-bonded Turntrans-63.8-16.9-177.600000114.1K128A49-K128 WeakPolarHBondContact CA-O 3.38Å; A49-K128 HydrophobicContact CB-CB 4.35Å; A49-K128 VanDerWaalsContact CB-N 3.31Å; A49-K128 WeakPolarHBondContact CB-O 3.44Å; A49-K128 VanDerWaalsContact N-C 3.27Å; A49-K128 PolarHBondContact N-O 3.16Å
50S73.3Confident79.1Confident65 Ų6565.8 Ų65.846%0.45537%0.372SS..THydrogen-bonded Turntrans-9211.7173.7-75.20000111.2N48 Q52 S127N48-S50 PolarHBondContact O-N 3.4Å; N48-S50 VanDerWaalsContact O-N 3.08Å; N48-S50 WeakPolarHBondContact OD1-CA 3.31Å; N48-S50 WeakPolarHBondContact OD1-CB 3.36Å; N48-S50 PolarHBondContact OD1-N 2.91Å; S50-Q52 PolarHBondContact O-N 3.35Å; S50-Q52 VanDerWaalsContact O-N 3.15Å; S50-S127 WeakPolarHBondContact CB-OG 3.44Å; S50-S127 WeakPolarHBondContact OG-CB 3.29Å; S50-S127 PolarHBondContact OG-OG 2.91Å
51S73Confident79.7Confident89 Ų8966.7 Ų66.762%0.62237%0.366SS*.SBendtrans58.323-174.6-53.70000113.6N48N48-S51 WeakPolarHBondContact O-CA 2.97Å; N48-S51 PolarHBondContact O-N 3.2Å; N48-S51 PolarHBondContact OD1-N 3.08Å
52Q74.2Confident80.4Confident114 Ų11461.2 Ų61.253%0.53334%0.338SS..PPolyproline II helixtrans-86.7140.9176-60.9176.4-38.700109.9L47 N48 S50 V54L47-Q52 CarbonylContact C-O 3.47Å; L47-Q52 WeakPolarHBondContact CA-O 3.44Å; N48-Q52 PolarHBondContact N-O 3.25Å; N48-Q52 PolarHBondContact ND2-OE1 3.19Å; N48-Q52 WeakPolarHBondContact OD1-CB 3.42Å; N48-Q52 PolarHBondContact OD1-N 3.36Å; S50-Q52 PolarHBondContact O-N 3.35Å; S50-Q52 VanDerWaalsContact O-N 3.15Å; Q52-V54 PolarHBondContact O-N 2.89Å
53P77.8Confident81.3Confident96 Ų9666.8 Ų66.862%0.62336%0.356SS*.BIsolated β-bridgetrans-57.7136.3174.6-23.233.4000112.6L46 L47L46-P53 WeakPolarHBondContact O-CA 3.27Å; L47-P53 HydrophobicContact CD2-CG 4.4Å
54V80.5Confident82.1Confident32 Ų3257.7 Ų57.719%0.19431%0.308CS..PPolyproline II helixtrans-96.3133.1169.9178.70000108.5L46 N48 Q52 V56 V78L46-V54 HydrophobicContact CB-CB 3.78Å; L46-V54 HydrophobicContact CB-CG1 4.49Å; L46-V54 HydrophobicContact CB-CG2 4.34Å; L46-V54 PolarHBondContact O-N 2.98Å; N48-V54 HydrophobicContact CB-CG2 3.98Å; Q52-V54 PolarHBondContact O-N 2.89Å; V54-V56 PolarHBondContact O-N 2.88Å; V54-V78 HydrophobicContact CG1-CB 3.73Å; V54-V78 HydrophobicContact CG1-CG1 3.87Å; V54-V78 HydrophobicContact CG1-CG2 4.37Å
55T87.2Confident82.8Confident75 Ų7557.8 Ų57.846%0.4631%0.312SS..  trans-77.6114.2179.4-60.40000110K57 V78 Q79T55-K57 HydrophobicContact CG2-CD 4.43Å; T55-V78 WeakPolarHBondContact O-CA 3.45Å; T55-Q79 HydrophobicContact CG2-CB 4.45Å; T55-Q79 PolarHBondContact O-N 3.25Å
56V88.1Confident83.4Confident18 Ų1849.8 Ų49.811%0.10928%0.283CS..EExtended strand (participates in β ladder)trans-88.3135.7175.3-179.60000109.7I41 P42 I44 L46 V54 I76 I77 V78I41-V56 HydrophobicContact CG2-CB 4.26Å; I41-V56 HydrophobicContact CG2-CG1 4.01Å; P42-V56 HydrophobicContact CG-CG1 4.2Å; I44-V56 HydrophobicContact CG2-CG1 4.37Å; I44-V56 HydrophobicContact CG2-CG2 3.87Å; L46-V56 HydrophobicContact CB-CG2 4.48Å; L46-V56 HydrophobicContact CD1-CG2 3.61Å; L46-V56 HydrophobicContact CG-CG2 3.94Å; V54-V56 PolarHBondContact O-N 2.88Å; V56-I76 HydrophobicContact CG1-CG2 3.62Å; V56-I76 HydrophobicContact CG2-CG2 4.23Å; V56-I77 WeakPolarHBondContact CA-O 3.45Å; V56-V78 HydrophobicContact CG2-CG1 4.35Å
57K91.4Very high83.6Confident93 Ų9353.6 Ų53.640%0.40432%0.323SS..EExtended strand (participates in β ladder)trans-105.1-21.1178.4-60.7-64.5-177.8-178.20113.3D26 T55 I77 Q79D26-K57 HydrophobicContact CB-CG 4.42Å; T55-K57 HydrophobicContact CG2-CD 4.43Å; K57-I77 HydrophobicContact CB-CB 4.26Å; K57-I77 HydrophobicContact CB-CG2 3.92Å; K57-I77 HydrophobicContact CG-CG2 4.44Å; K57-I77 PolarHBondContact N-O 3.14Å; K57-Q79 VanDerWaalsContact CE-OE1 3.28Å
58G91.5Very high83.6Confident0 Ų061.3 Ų61.30%035%0.354CS..EExtended strand (participates in β ladder)trans153.6-164.218000000112.8S39 I77S39-G58 VanDerWaalsContact O-CA 3.29Å; S39-G58 WeakPolarHBondContact O-CA 3.38Å; G58-I77 PolarHBondContact O-N 3.01Å
59E92.7Very high83.8Confident36 Ų3661.3 Ų61.317%0.16835%0.354CS..EExtended strand (participates in β ladder)trans-122.6143.4176.3-80.5-175-173.100111.3S39 P42 K74 F75 I76S39-E59 PolarHBondContact N-O 2.98Å; S39-E59 PolarHBondContact O-N 3.4Å; S39-E59 VanDerWaalsContact O-N 3.12Å; S39-E59 VanDerWaalsContact OG-CB 3.29Å; S39-E59 WeakPolarHBondContact OG-CB 3.4Å; S39-E59 PolarHBondContact OG-O 3.31Å; P42-E59 HydrophobicContact CB-CG 4.31Å; P42-E59 WeakPolarHBondContact CB-OE1 3.37Å; P42-E59 HydrophobicContact CG-CG 3.81Å; P42-E59 WeakPolarHBondContact CG-OE1 3.3Å; E59-K74 WeakPolarHBondContact OE2-CD 3.46Å; E59-K74 IonicContact OE2-NZ 3.08Å; E59-K74 PolarHBondContact OE2-NZ 3.31Å; E59-F75 WeakPolarHBondContact CA-O 3.44Å; E59-I76 HydrophobicContact CG-CD1 3.48Å; E59-I76 VanDerWaalsContact CG-CD1 3.48Å; E59-I76 WeakPolarHBondContact OE1-CD1 3.22Å
60I94.7Very high84.5Confident3 Ų360.4 Ų60.42%0.01535%0.347CS..EExtended strand (participates in β ladder)trans-141.4148.2176-163.5168.2000110.4L24 V29 K34 I37 V38 L62 K74 F75 I77L24-I60 HydrophobicContact CD2-CG2 4.01Å; V29-I60 HydrophobicContact CG1-CD1 4.28Å; K34-I60 HydrophobicContact CB-CD1 3.99Å; I37-I60 HydrophobicContact CD1-CD1 3.86Å; I37-I60 HydrophobicContact CD1-CG1 4.07Å; I37-I60 HydrophobicContact CG1-CD1 3.77Å; I37-I60 HydrophobicContact CG1-CG1 4.17Å; V38-I60 HydrophobicContact CG2-CD1 4.19Å; I60-L62 HydrophobicContact CD1-CD1 4.13Å; I60-L62 HydrophobicContact CD1-CD2 3.73Å; I60-L62 HydrophobicContact CD1-CG 4.01Å; I60-L62 HydrophobicContact CG1-CD1 4.5Å; I60-L62 HydrophobicContact CG1-CD2 3.9Å; I60-L62 HydrophobicContact CG1-CG 3.95Å; I60-L62 HydrophobicContact CG2-CD1 4.21Å; I60-L62 HydrophobicContact CG2-CG 4.17Å; I60-K74 CarbonylContact O-C 3.47Å; I60-K74 WeakPolarHBondContact O-CA 3.26Å; I60-F75 HydrophobicContact CG2-CB 4.12Å; I60-F75 PolarHBondContact N-O 3.05Å; I60-F75 PolarHBondContact O-N 3.37Å; I60-I77 HydrophobicContact CB-CD1 3.72Å; I60-I77 HydrophobicContact CB-CG1 4.3Å; I60-I77 HydrophobicContact CD1-CD1 4.43Å; I60-I77 HydrophobicContact CG2-CD1 3.61Å; I60-I77 HydrophobicContact CG2-CG1 3.71Å
61T95.2Very high85Confident78 Ų7858.5 Ų58.548%0.47933%0.33SS..EExtended strand (participates in β ladder)trans-112.9118.1170.7-59.10000109P72 F73T61-P72 HydrophobicContact CG2-CB 4.01Å; T61-F73 CarbonylContact C-O 3.59Å; T61-F73 WeakPolarHBondContact CA-O 3.45Å
62L94.4Very high85.8Confident5 Ų558.8 Ų58.83%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-127.5154.3-178.1-60.9178.7000110.2I6 L24 L32 I37 I60 V64 P72 F73I6-L62 HydrophobicContact CG2-CB 3.78Å; I6-L62 HydrophobicContact CG2-CD1 3.53Å; I6-L62 HydrophobicContact CG2-CG 4.31Å; L24-L62 HydrophobicContact CD2-CD1 3.59Å; L32-L62 HydrophobicContact CD1-CD1 4.03Å; I37-L62 HydrophobicContact CD1-CD2 4.25Å; I60-L62 HydrophobicContact CD1-CD1 4.13Å; I60-L62 HydrophobicContact CD1-CD2 3.73Å; I60-L62 HydrophobicContact CD1-CG 4.01Å; I60-L62 HydrophobicContact CG1-CD1 4.5Å; I60-L62 HydrophobicContact CG1-CD2 3.9Å; I60-L62 HydrophobicContact CG1-CG 3.95Å; I60-L62 HydrophobicContact CG2-CD1 4.21Å; I60-L62 HydrophobicContact CG2-CG 4.17Å; L62-V64 PolarHBondContact O-N 3.47Å; L62-P72 CarbonylContact O-C 3.41Å; L62-F73 PolarHBondContact N-O 3.19Å; L62-F73 PolarHBondContact O-N 2.89Å
63R91.1Very high86.5Confident143 Ų14354.3 Ų54.354%0.5431%0.309SS..EExtended strand (participates in β ladder)trans-76122.2176.1-168.9175.2-176.3162.91.6109.5I6 N7 H71I6-R63 CarbonylContact C-O 3.58Å; I6-R63 WeakPolarHBondContact CA-O 3.5Å; N7-R63 PolarHBondContact N-O 2.69Å; N7-R63 WeakPolarHBondContact OD1-CB 3.42Å; N7-R63 PolarHBondContact OD1-N 3.15Å; R63-H71 CarbonylContact C-O 3.53Å; R63-H71 WeakPolarHBondContact CA-O 3.17Å
64V90.8Very high87.2Confident1 Ų154.4 Ų54.41%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-105.1133.1176.9-179.50000108.6C5 L62 V66 A70 H71 F73 F75 F91C5-V64 CarbonylContact O-C 3.53Å; C5-V64 WeakPolarHBondContact O-CA 3.46Å; L62-V64 PolarHBondContact O-N 3.47Å; V64-V66 HydrophobicContact CG1-CG2 3.93Å; V64-A70 CarbonylContact O-C 3.57Å; V64-A70 VanDerWaalsContact O-CA 3.26Å; V64-A70 WeakPolarHBondContact O-CA 3.48Å; V64-H71 PolarHBondContact N-O 2.84Å; V64-H71 PolarHBondContact O-N 2.92Å; V64-F73 HydrophobicContact CB-CB 4.33Å; V64-F73 HydrophobicContact CG2-CB 3.68Å; V64-F75 HydrophobicContact CG2-CE2 3.3Å; V64-F75 HydrophobicContact CG2-CZ 3.33Å; V64-F91 HydrophobicContact CB-CE2 4.32Å; V64-F91 HydrophobicContact CG1-CE2 3.84Å; V64-F91 HydrophobicContact CG1-CZ 4.21Å
65S85.4Confident87.8Confident36 Ų3652.9 Ų52.925%0.25229%0.29SS..EExtended strand (participates in β ladder)trans-121.3116.8173.7-52.30000110.1A4 C5 L69A4-S65 CarbonylContact C-O 3.57Å; A4-S65 WeakPolarHBondContact CA-O 3.25Å; A4-S65 WeakPolarHBondContact CB-O 3.35Å; C5-S65 PolarHBondContact N-O 2.99Å; C5-S65 PolarHBondContact O-N 2.76Å; S65-L69 CarbonylContact C-O 3.59Å; S65-L69 WeakPolarHBondContact CA-O 3.46Å
66V82.8Confident88.1Confident15 Ų1549.8 Ų49.89%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-128.5108.7176.9178.80000108.2I2 A4 V64 K68 L69 L87 F91 L96I2-V66 HydrophobicContact CD1-CG1 3.53Å; I2-V66 HydrophobicContact CG1-CG1 4.44Å; A4-V66 HydrophobicContact CB-CG2 3.72Å; V64-V66 HydrophobicContact CG1-CG2 3.93Å; V66-K68 PolarHBondContact O-N 2.9Å; V66-K68 VanDerWaalsContact O-N 3.1Å; V66-L69 PolarHBondContact N-O 3.16Å; V66-L69 WeakPolarHBondContact O-CB 3.43Å; V66-L69 PolarHBondContact O-N 3.3Å; V66-L87 HydrophobicContact CG2-CD1 4.02Å; V66-F91 HydrophobicContact CB-CZ 4.31Å; V66-F91 HydrophobicContact CG2-CE1 4.35Å; V66-F91 HydrophobicContact CG2-CZ 3.85Å; V66-L96 HydrophobicContact CG1-CD2 4.33Å
67G77.8Confident88.4Confident82 Ų8249.1 Ų49.185%0.84527%0.267SS*.THydrogen-bonded Turntrans58.5-115.2-172.400000111.4
68K74.7Confident88.4Confident217 Ų21744.7 Ų44.794%0.94325%0.248SC*.THydrogen-bonded Turntrans-92.1-13.5177.6-64.2-175.9-178.4179.50113.8V66V66-K68 PolarHBondContact O-N 2.9Å; V66-K68 VanDerWaalsContact O-N 3.1Å
69L75.6Confident88.2Confident24 Ų2448.6 Ų48.613%0.12627%0.266CS..EExtended strand (participates in β ladder)trans-77.9127.3179.7-175.668.3000108.7S65 V66 H71 F91 F94 L96S65-L69 CarbonylContact C-O 3.59Å; S65-L69 WeakPolarHBondContact CA-O 3.46Å; V66-L69 PolarHBondContact N-O 3.16Å; V66-L69 WeakPolarHBondContact O-CB 3.43Å; V66-L69 PolarHBondContact O-N 3.3Å; L69-H71 WeakPolarHBondContact CD2-NE2 3.5Å; L69-H71 VanDerWaalsContact CG-CD2 3.46Å; L69-H71 WeakPolarHBondContact CG-CD2 3.17Å; L69-F91 HydrophobicContact CD2-CE1 4.15Å; L69-F91 HydrophobicContact CD2-CE2 4.24Å; L69-F91 HydrophobicContact CD2-CZ 3.63Å; L69-F94 HydrophobicContact CD1-CB 4.36Å; L69-F94 HydrophobicContact CD1-CD1 4.42Å; L69-F94 HydrophobicContact CD1-CG 4.45Å; L69-F94 HydrophobicContact CD2-CB 3.78Å; L69-F94 HydrophobicContact CD2-CD2 4.36Å; L69-F94 HydrophobicContact CD2-CG 4.09Å; L69-L96 HydrophobicContact CB-CD2 4.36Å; L69-L96 HydrophobicContact CD2-CD1 4.14Å; L69-L96 HydrophobicContact CD2-CD2 3.64Å; L69-L96 HydrophobicContact CD2-CG 3.99Å
70A82.1Confident87.7Confident47 Ų4750.2 Ų50.239%0.38828%0.281SS..EExtended strand (participates in β ladder)trans-146.5100.3178.700000112.2V64V64-A70 CarbonylContact O-C 3.57Å; V64-A70 VanDerWaalsContact O-CA 3.26Å; V64-A70 WeakPolarHBondContact O-CA 3.48Å
71H82.9Confident87.2Confident24 Ų2451.2 Ų51.211%0.11129%0.286CS..EExtended strand (participates in β ladder)trans-145.3156.2-177.658.979.1000112.5R63 V64 L69 F73 F91 F94R63-H71 CarbonylContact C-O 3.53Å; R63-H71 WeakPolarHBondContact CA-O 3.17Å; V64-H71 PolarHBondContact N-O 2.84Å; V64-H71 PolarHBondContact O-N 2.92Å; L69-H71 WeakPolarHBondContact CD2-NE2 3.5Å; L69-H71 VanDerWaalsContact CG-CD2 3.46Å; L69-H71 WeakPolarHBondContact CG-CD2 3.17Å; H71-F73 AromaticContact CE1-CD2 3.45Å; H71-F73 VanDerWaalsContact CE1-CD2 3.45Å; H71-F73 WeakPolarHBondContact CE1-CD2 3.48Å; H71-F73 AromaticContact CE1-CG 3.97Å; H71-F73 AromaticContact ND1-CD2 3.88Å; H71-F73 PolarHBondContact O-N 3.41Å; H71-F91 AromaticContact CE1-CD2 4Å; H71-F91 AromaticContact CE1-CE2 3.61Å; H71-F91 AromaticContact NE2-CE2 3.52Å; H71-F94 AromaticContact CE1-CD2 3.69Å; H71-F94 AromaticContact CE1-CE2 3.17Å; H71-F94 WeakPolarHBondContact CE1-CE2 3.27Å; H71-F94 AromaticContact CE1-CZ 3.56Å; H71-F94 AromaticContact ND1-CE2 3.82Å; H71-F94 AromaticContact ND1-CZ 3.74Å; H71-F94 AromaticContact NE2-CD2 3.48Å; H71-F94 WeakPolarHBondContact NE2-CD2 3.07Å; H71-F94 AromaticContact NE2-CE2 3.43Å; H71-F94 WeakPolarHBondContact NE2-CE2 3.29Å; H71-F94 AromaticContact NE2-CG 3.95Å; H71-F94 AromaticContact NE2-CZ 3.81Å
72P90.2Very high86.4Confident95 Ų9550.9 Ų50.962%0.61728%0.284SS*.EExtended strand (participates in β ladder)trans-56.1136.2163.5-21.433.7000110.5T61 L62T61-P72 HydrophobicContact CG2-CB 4.01Å; L62-P72 CarbonylContact O-C 3.41Å
73F89.3Confident86Confident20 Ų2051 Ų519%0.08829%0.286CS..EExtended strand (participates in β ladder)trans-142.7139.3179-160.9-96.5000110.5S22 T61 L62 V64 H71 F75 D90 F91 F94S22-F73 VanDerWaalsContact CB-CE1 3.44Å; S22-F73 WeakPolarHBondContact OG-CE1 3.45Å; T61-F73 CarbonylContact C-O 3.59Å; T61-F73 WeakPolarHBondContact CA-O 3.45Å; L62-F73 PolarHBondContact N-O 3.19Å; L62-F73 PolarHBondContact O-N 2.89Å; V64-F73 HydrophobicContact CB-CB 4.33Å; V64-F73 HydrophobicContact CG2-CB 3.68Å; H71-F73 AromaticContact CE1-CD2 3.45Å; H71-F73 VanDerWaalsContact CE1-CD2 3.45Å; H71-F73 WeakPolarHBondContact CE1-CD2 3.48Å; H71-F73 AromaticContact CE1-CG 3.97Å; H71-F73 AromaticContact ND1-CD2 3.88Å; H71-F73 PolarHBondContact O-N 3.41Å; F73-F75 HydrophobicContact CB-CE2 4.31Å; F73-F75 HydrophobicContact CD1-CD2 4.49Å; F73-F75 HydrophobicContact CD1-CE1 4.33Å; F73-F75 HydrophobicContact CD1-CE2 4.2Å; F73-F75 HydrophobicContact CD1-CZ 4.13Å; F73-D90 WeakPolarHBondContact CE1-OD2 3.19Å; F73-D90 HydrophobicContact CZ-CB 4.04Å; F73-D90 VanDerWaalsContact CZ-CG 3.44Å; F73-D90 WeakPolarHBondContact CZ-OD2 3.03Å; F73-F91 HydrophobicContact CD1-CD2 4.29Å; F73-F91 AromaticContact CD2-CD2 3.96Å; F73-F91 HydrophobicContact CD2-CD2 3.96Å; F73-F91 HydrophobicContact CE1-CB 4.26Å; F73-F91 HydrophobicContact CE1-CD2 4.37Å; F73-F91 HydrophobicContact CE2-CB 4.19Å; F73-F91 AromaticContact CE2-CD2 3.99Å; F73-F91 HydrophobicContact CE2-CD2 3.99Å; F73-F91 HydrophobicContact CG-CD2 4.08Å; F73-F91 HydrophobicContact CZ-CB 3.81Å; F73-F91 HydrophobicContact CZ-CD2 4.19Å; F73-F94 AromaticContact CD2-CE2 3.78Å; F73-F94 HydrophobicContact CD2-CE2 3.78Å; F73-F94 HydrophobicContact CD2-CZ 4.47Å; F73-F94 AromaticContact CE2-CE2 3.69Å; F73-F94 HydrophobicContact CE2-CE2 3.69Å
74K92.1Very high86.1Confident99 Ų9946.4 Ų46.443%0.4327%0.272SS..EExtended strand (participates in β ladder)trans-85.3133.9179.7-178.9-176.2-77-151.60110E59 I60E59-K74 WeakPolarHBondContact OE2-CD 3.46Å; E59-K74 IonicContact OE2-NZ 3.08Å; E59-K74 PolarHBondContact OE2-NZ 3.31Å; I60-K74 CarbonylContact O-C 3.47Å; I60-K74 WeakPolarHBondContact O-CA 3.26Å
75F94.4Very high86.2Confident0 Ų046.4 Ų46.40%027%0.272CS..EExtended strand (participates in β ladder)trans-120.9146.6173.2-67.8-85.2000111.3I6 L24 E59 I60 V64 F73 A85 L87I6-F75 HydrophobicContact CD1-CZ 4.19Å; L24-F75 HydrophobicContact CB-CB 3.65Å; L24-F75 HydrophobicContact CB-CD1 3.98Å; L24-F75 HydrophobicContact CB-CG 3.86Å; L24-F75 HydrophobicContact CD2-CB 4.49Å; E59-F75 WeakPolarHBondContact CA-O 3.44Å; I60-F75 HydrophobicContact CG2-CB 4.12Å; I60-F75 PolarHBondContact N-O 3.05Å; I60-F75 PolarHBondContact O-N 3.37Å; V64-F75 HydrophobicContact CG2-CE2 3.3Å; V64-F75 HydrophobicContact CG2-CZ 3.33Å; F73-F75 HydrophobicContact CB-CE2 4.31Å; F73-F75 HydrophobicContact CD1-CD2 4.49Å; F73-F75 HydrophobicContact CD1-CE1 4.33Å; F73-F75 HydrophobicContact CD1-CE2 4.2Å; F73-F75 HydrophobicContact CD1-CZ 4.13Å; F75-A85 HydrophobicContact CE1-CB 4.13Å; F75-L87 HydrophobicContact CE1-CD2 3.79Å; F75-L87 HydrophobicContact CZ-CD2 3.99Å
76I92.3Very high86.4Confident9 Ų945 Ų455%0.04626%0.261CS..EExtended strand (participates in β ladder)trans-86.8125.1160.9-48.5-53.7000108.2V21 S22 L23 L24 P42 I44 L46 V56 E59 V78V21-I76 HydrophobicContact CG2-CG1 3.6Å; S22-I76 PolarHBondContact O-N 2.73Å; S22-I76 VanDerWaalsContact O-N 3.1Å; L23-I76 WeakPolarHBondContact CA-O 3.4Å; L23-I76 HydrophobicContact CD2-CB 3.83Å; L23-I76 HydrophobicContact CD2-CG1 4.34Å; L24-I76 PolarHBondContact N-O 3.14Å; P42-I76 HydrophobicContact CG-CD1 4.12Å; P42-I76 HydrophobicContact CG-CG2 4.49Å; I44-I76 HydrophobicContact CD1-CG1 4.44Å; L46-I76 HydrophobicContact CD1-CG2 4.07Å; V56-I76 HydrophobicContact CG1-CG2 3.62Å; V56-I76 HydrophobicContact CG2-CG2 4.23Å; E59-I76 HydrophobicContact CG-CD1 3.48Å; E59-I76 VanDerWaalsContact CG-CD1 3.48Å; E59-I76 WeakPolarHBondContact OE1-CD1 3.22Å; I76-V78 HydrophobicContact CG2-CG1 4.17Å
77I94.4Very high86.7Confident4 Ų444.2 Ų44.22%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-84.1126.7178-58.8167.3000108.6L24 D26 V29 V38 V56 K57 G58 I60L24-I77 WeakPolarHBondContact O-CA 3.42Å; D26-I77 HydrophobicContact CB-CG2 3.85Å; V29-I77 HydrophobicContact CG1-CD1 4.32Å; V29-I77 HydrophobicContact CG2-CD1 3.61Å; V29-I77 HydrophobicContact CG2-CG1 3.87Å; V29-I77 HydrophobicContact CG2-CG2 4.05Å; V38-I77 HydrophobicContact CB-CD1 4.09Å; V38-I77 HydrophobicContact CG1-CD1 3.65Å; V38-I77 HydrophobicContact CG2-CD1 3.32Å; V56-I77 WeakPolarHBondContact CA-O 3.45Å; K57-I77 HydrophobicContact CB-CB 4.26Å; K57-I77 HydrophobicContact CB-CG2 3.92Å; K57-I77 HydrophobicContact CG-CG2 4.44Å; K57-I77 PolarHBondContact N-O 3.14Å; G58-I77 PolarHBondContact O-N 3.01Å; I60-I77 HydrophobicContact CB-CD1 3.72Å; I60-I77 HydrophobicContact CB-CG1 4.3Å; I60-I77 HydrophobicContact CD1-CD1 4.43Å; I60-I77 HydrophobicContact CG2-CD1 3.61Å; I60-I77 HydrophobicContact CG2-CG1 3.71Å
78V91.4Very high86.9Confident1 Ų140.3 Ų40.31%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-130.5148.8-179-60.60000111.4L23 L24 D26 L46 V54 T55 V56 I76 L81L23-V78 HydrophobicContact CB-CG2 4.18Å; L23-V78 HydrophobicContact CD2-CG1 4.24Å; L24-V78 PolarHBondContact O-N 2.92Å; D26-V78 PolarHBondContact N-O 3.08Å; L46-V78 HydrophobicContact CD1-CG1 3.46Å; L46-V78 VanDerWaalsContact CD1-CG1 3.46Å; V54-V78 HydrophobicContact CG1-CB 3.73Å; V54-V78 HydrophobicContact CG1-CG1 3.87Å; V54-V78 HydrophobicContact CG1-CG2 4.37Å; T55-V78 WeakPolarHBondContact O-CA 3.45Å; V56-V78 HydrophobicContact CG2-CG1 4.35Å; I76-V78 HydrophobicContact CG2-CG1 4.17Å; V78-L81 HydrophobicContact CG2-CB 4.03Å; V78-L81 HydrophobicContact CG2-CD1 3.89Å; V78-L81 HydrophobicContact CG2-CD2 4.28Å; V78-L81 HydrophobicContact CG2-CG 4.3Å
79Q88.3Confident87.1Confident81 Ų8133.9 Ų33.938%0.37919%0.191SC..THydrogen-bonded Turntrans-79.3142.4173.6-165.61681.700110.5T55 K57 L81T55-Q79 HydrophobicContact CG2-CB 4.45Å; T55-Q79 PolarHBondContact O-N 3.25Å; K57-Q79 VanDerWaalsContact CE-OE1 3.28Å; Q79-L81 PolarHBondContact O-N 3.2Å
80S81.1Confident87.1Confident71 Ų7133.8 Ų33.850%0.49719%0.19SC..THydrogen-bonded Turntrans62.737.1170.8-56.90000115.2
81L84.6Confident87Confident23 Ų2331.5 Ų31.512%0.1217%0.172CC..  trans-64.3140.9171.1-161.959.1000110.8L23 V78 Q79 A83 I86L23-L81 HydrophobicContact CB-CD1 4.21Å; L23-L81 HydrophobicContact CB-CD2 3.98Å; L23-L81 HydrophobicContact CD1-CD1 4.17Å; V78-L81 HydrophobicContact CG2-CB 4.03Å; V78-L81 HydrophobicContact CG2-CD1 3.89Å; V78-L81 HydrophobicContact CG2-CD2 4.28Å; V78-L81 HydrophobicContact CG2-CG 4.3Å; Q79-L81 PolarHBondContact O-N 3.2Å; L81-A83 VanDerWaalsContact C-N 3.28Å; L81-A83 WeakPolarHBondContact CB-O 3.38Å; L81-A83 WeakPolarHBondContact CD2-O 3.4Å; L81-A83 VanDerWaalsContact CG-O 3.23Å; L81-A83 WeakPolarHBondContact CG-O 3.33Å; L81-A83 PolarHBondContact O-N 3.41Å; L81-I86 HydrophobicContact CD1-CD1 3.59Å; L81-I86 HydrophobicContact CD1-CG1 4.01Å; L81-I86 HydrophobicContact CD2-CG1 4.22Å; L81-I86 HydrophobicContact CG-CD1 4.36Å; L81-I86 HydrophobicContact CG-CG1 4.31Å
82V78.9Confident86.6Confident71 Ų7132.7 Ų32.743%0.4318%0.179SC..SBendtrans-73.2-21.6-179.2-65.80000113.7M14 R126M14-V82 HydrophobicContact CE-CG2 4.44Å; V82-R126 HydrophobicContact CG1-CB 3.7Å; V82-R126 HydrophobicContact CG1-CG 4.47Å
83A86.3Confident85.5Confident8 Ų833.5 Ų33.57%0.06617%0.174CC..SBendtrans-124165.6176.100000108.4M1 M14 L81 A85M1-A83 HydrophobicContact SD-CB 3.93Å; M14-A83 HydrophobicContact CB-CB 4.45Å; L81-A83 VanDerWaalsContact C-N 3.28Å; L81-A83 WeakPolarHBondContact CB-O 3.38Å; L81-A83 WeakPolarHBondContact CD2-O 3.4Å; L81-A83 VanDerWaalsContact CG-O 3.23Å; L81-A83 WeakPolarHBondContact CG-O 3.33Å; L81-A83 PolarHBondContact O-N 3.41Å; A83-A85 VanDerWaalsContact C-N 3.3Å; A83-A85 PolarHBondContact O-N 2.86Å
84D92Very high84.2Confident47 Ų4734.6 Ų34.625%0.25118%0.179SC..SBendtrans-61.9-43.8174.6-75.3-17000110.5Y9 C11 L24 S25 V28Y9-D84 HydrophobicContact CE1-CB 4.34Å; Y9-D84 WeakPolarHBondContact CE1-OD2 3.46Å; Y9-D84 PolarHBondContact OH-OD2 2.87Å; C11-D84 HydrophobicContact CB-CB 3.75Å; C11-D84 VanDerWaalsContact CB-OD2 3.26Å; C11-D84 WeakPolarHBondContact CB-OD2 3.16Å; L24-D84 WeakPolarHBondContact CD1-O 3.28Å; S25-D84 WeakPolarHBondContact CB-O 3.35Å; S25-D84 PolarHBondContact N-O 2.81Å; V28-D84 HydrophobicContact CG2-CB 3.66Å
85A92.9Very high82.6Confident0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-143.3152.516800000112.9I6 V13 M14 L23 L24 F75 A83I6-A85 HydrophobicContact CD1-CB 3.62Å; V13-A85 WeakPolarHBondContact CA-O 3.47Å; V13-A85 HydrophobicContact CG1-CB 3.91Å; M14-A85 PolarHBondContact N-O 3.38Å; L23-A85 CarbonylContact O-C 3.59Å; L23-A85 VanDerWaalsContact O-CA 3.27Å; L23-A85 WeakPolarHBondContact O-CA 3.14Å; L23-A85 WeakPolarHBondContact O-CB 3.49Å; L24-A85 HydrophobicContact CD1-CB 3.88Å; F75-A85 HydrophobicContact CE1-CB 4.13Å; A83-A85 VanDerWaalsContact C-N 3.3Å; A83-A85 PolarHBondContact O-N 2.86Å
86I91.2Very high81Confident6 Ų635.7 Ų35.73%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-111.3127167.3-63.1-175.5000107M14 D16 S22 L23 L81M14-I86 HydrophobicContact CB-CG1 4.41Å; M14-I86 HydrophobicContact CE-CD1 3.45Å; M14-I86 VanDerWaalsContact CE-CD1 3.45Å; M14-I86 HydrophobicContact CE-CG1 3.72Å; M14-I86 HydrophobicContact CE-CG2 4.48Å; M14-I86 CarbonylContact O-C 3.6Å; M14-I86 WeakPolarHBondContact O-CA 3.29Å; D16-I86 HydrophobicContact CB-CG2 3.49Å; D16-I86 VanDerWaalsContact CB-CG2 3.49Å; S22-I86 CarbonylContact C-O 2.91Å; S22-I86 WeakPolarHBondContact CA-O 3.43Å; S22-I86 WeakPolarHBondContact CB-O 3.39Å; L23-I86 HydrophobicContact CB-CB 4.31Å; L23-I86 PolarHBondContact N-O 3.48Å; L23-I86 PolarHBondContact O-N 3.29Å; L81-I86 HydrophobicContact CD1-CD1 3.59Å; L81-I86 HydrophobicContact CD1-CG1 4.01Å; L81-I86 HydrophobicContact CD2-CG1 4.22Å; L81-I86 HydrophobicContact CG-CD1 4.36Å; L81-I86 HydrophobicContact CG-CG1 4.31Å
87L87.5Confident79.4Confident0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-98.9109.5173.3-61.7178.7000108.4V13 M14 D16 S22 V66 F75 F91V13-L87 HydrophobicContact CB-CD1 4.14Å; V13-L87 HydrophobicContact CB-CG 4.25Å; V13-L87 HydrophobicContact CG2-CD1 3.54Å; V13-L87 HydrophobicContact CG2-CG 4.18Å; M14-L87 PolarHBondContact O-N 3.37Å; D16-L87 PolarHBondContact N-O 2.94Å; S22-L87 WeakPolarHBondContact OG-CA 3.43Å; V66-L87 HydrophobicContact CG2-CD1 4.02Å; F75-L87 HydrophobicContact CE1-CD2 3.79Å; F75-L87 HydrophobicContact CZ-CD2 3.99Å; L87-F91 HydrophobicContact CB-CB 3.94Å; L87-F91 HydrophobicContact CB-CD1 3.86Å; L87-F91 HydrophobicContact CB-CG 3.91Å; L87-F91 HydrophobicContact CD1-CD1 3.7Å; L87-F91 HydrophobicContact CD1-CD2 4.31Å; L87-F91 HydrophobicContact CD1-CE1 3.55Å; L87-F91 HydrophobicContact CD1-CE2 4.19Å; L87-F91 HydrophobicContact CD1-CG 4.07Å; L87-F91 HydrophobicContact CD1-CZ 3.81Å; L87-F91 HydrophobicContact CD2-CB 4.27Å; L87-F91 HydrophobicContact CD2-CD1 4.37Å; L87-F91 HydrophobicContact CD2-CD2 3.82Å; L87-F91 HydrophobicContact CD2-CE2 4.21Å; L87-F91 HydrophobicContact CD2-CG 3.89Å; L87-F91 HydrophobicContact CG-CD1 4.19Å; L87-F91 HydrophobicContact CG-CD2 4.49Å; L87-F91 HydrophobicContact CG-CE1 4.49Å; L87-F91 HydrophobicContact CG-CG 4.17Å
88G83.3Confident77.8Confident0 Ų044.9 Ų44.90%025%0.251CS..  trans-82.4-170.7-177.700000113S19 S22 D90 F91 L92S19-G88 CarbonylContact O-C 3.53Å; S19-G88 WeakPolarHBondContact O-CA 3.48Å; S22-G88 PolarHBondContact OG-N 3.14Å; G88-D90 WeakPolarHBondContact CA-OD1 3.41Å; G88-D90 PolarHBondContact N-OD1 3.35Å; G88-D90 PolarHBondContact O-N 3.15Å; G88-F91 WeakPolarHBondContact O-CB 3.04Å; G88-F91 PolarHBondContact O-N 3.11Å; G88-F91 VanDerWaalsContact O-N 3.08Å; G88-L92 PolarHBondContact O-N 3.39Å; G88-L92 VanDerWaalsContact O-N 3.13Å
89M78.8Confident76Confident81 Ų8149.6 Ų49.640%0.39928%0.284SS..THydrogen-bonded Turntrans-59.8-27.8173.6-67.9-59.6-50.200112.8T17 S19 F91 L92 E93T17-M89 VanDerWaalsContact CA-SD 3.53Å; T17-M89 HydrophobicContact CG2-SD 3.9Å; T17-M89 WeakPolarHBondContact O-CG 3.2Å; S19-M89 PolarHBondContact O-N 2.63Å; M89-F91 VanDerWaalsContact C-N 3.28Å; M89-F91 PolarHBondContact O-N 3.3Å; M89-L92 HydrophobicContact CE-CB 4.42Å; M89-L92 HydrophobicContact CE-CD1 4.4Å; M89-L92 CarbonylContact O-C 3.5Å; M89-L92 PolarHBondContact O-N 3Å; M89-L92 VanDerWaalsContact O-N 3.16Å; M89-L92 HydrophobicContact SD-CD1 3.74Å; M89-E93 PolarHBondContact O-N 3.36Å
90D74.3Confident74.1Confident22 Ų2252.3 Ų52.312%0.11829%0.292CS..THydrogen-bonded Turntrans-62.5-33.8173.763-24.1000112.8S20 V21 S22 F73 G88S20-D90 PolarHBondContact O-N 3.2Å; V21-D90 VanDerWaalsContact C-OD1 3.23Å; V21-D90 VanDerWaalsContact CA-OD1 3.27Å; V21-D90 WeakPolarHBondContact CA-OD1 3.15Å; V21-D90 WeakPolarHBondContact CA-OD2 3.27Å; V21-D90 WeakPolarHBondContact CB-OD2 3.15Å; S22-D90 VanDerWaalsContact N-CG 3.28Å; S22-D90 PolarHBondContact N-OD1 3.15Å; S22-D90 PolarHBondContact N-OD2 3.02Å; S22-D90 PolarHBondContact OG-OD1 3.18Å; S22-D90 PolarHBondContact OG-OD2 3.34Å; F73-D90 WeakPolarHBondContact CE1-OD2 3.19Å; F73-D90 HydrophobicContact CZ-CB 4.04Å; F73-D90 VanDerWaalsContact CZ-CG 3.44Å; F73-D90 WeakPolarHBondContact CZ-OD2 3.03Å; G88-D90 WeakPolarHBondContact CA-OD1 3.41Å; G88-D90 PolarHBondContact N-OD1 3.35Å; G88-D90 PolarHBondContact O-N 3.15Å
91F81.7Confident72.5Confident0 Ų052.5 Ų52.50%029%0.292CS..THydrogen-bonded Turntrans-80-32.8172.2-174.1-91.7000111.5V64 V66 L69 H71 F73 L87 G88 M89 E93 F94 L96V64-F91 HydrophobicContact CB-CE2 4.32Å; V64-F91 HydrophobicContact CG1-CE2 3.84Å; V64-F91 HydrophobicContact CG1-CZ 4.21Å; V66-F91 HydrophobicContact CB-CZ 4.31Å; V66-F91 HydrophobicContact CG2-CE1 4.35Å; V66-F91 HydrophobicContact CG2-CZ 3.85Å; L69-F91 HydrophobicContact CD2-CE1 4.15Å; L69-F91 HydrophobicContact CD2-CE2 4.24Å; L69-F91 HydrophobicContact CD2-CZ 3.63Å; H71-F91 AromaticContact CE1-CD2 4Å; H71-F91 AromaticContact CE1-CE2 3.61Å; H71-F91 AromaticContact NE2-CE2 3.52Å; F73-F91 HydrophobicContact CD1-CD2 4.29Å; F73-F91 AromaticContact CD2-CD2 3.96Å; F73-F91 HydrophobicContact CD2-CD2 3.96Å; F73-F91 HydrophobicContact CE1-CB 4.26Å; F73-F91 HydrophobicContact CE1-CD2 4.37Å; F73-F91 HydrophobicContact CE2-CB 4.19Å; F73-F91 AromaticContact CE2-CD2 3.99Å; F73-F91 HydrophobicContact CE2-CD2 3.99Å; F73-F91 HydrophobicContact CG-CD2 4.08Å; F73-F91 HydrophobicContact CZ-CB 3.81Å; F73-F91 HydrophobicContact CZ-CD2 4.19Å; L87-F91 HydrophobicContact CB-CB 3.94Å; L87-F91 HydrophobicContact CB-CD1 3.86Å; L87-F91 HydrophobicContact CB-CG 3.91Å; L87-F91 HydrophobicContact CD1-CD1 3.7Å; L87-F91 HydrophobicContact CD1-CD2 4.31Å; L87-F91 HydrophobicContact CD1-CE1 3.55Å; L87-F91 HydrophobicContact CD1-CE2 4.19Å; L87-F91 HydrophobicContact CD1-CG 4.07Å; L87-F91 HydrophobicContact CD1-CZ 3.81Å; L87-F91 HydrophobicContact CD2-CB 4.27Å; L87-F91 HydrophobicContact CD2-CD1 4.37Å; L87-F91 HydrophobicContact CD2-CD2 3.82Å; L87-F91 HydrophobicContact CD2-CE2 4.21Å; L87-F91 HydrophobicContact CD2-CG 3.89Å; L87-F91 HydrophobicContact CG-CD1 4.19Å; L87-F91 HydrophobicContact CG-CD2 4.49Å; L87-F91 HydrophobicContact CG-CE1 4.49Å; L87-F91 HydrophobicContact CG-CG 4.17Å; G88-F91 WeakPolarHBondContact O-CB 3.04Å; G88-F91 PolarHBondContact O-N 3.11Å; G88-F91 VanDerWaalsContact O-N 3.08Å; M89-F91 VanDerWaalsContact C-N 3.28Å; M89-F91 PolarHBondContact O-N 3.3Å; F91-E93 PolarHBondContact O-N 2.9Å; F91-E93 VanDerWaalsContact O-N 3.12Å; F91-F94 HydrophobicContact CD2-CD2 4.32Å; F91-F94 WeakPolarHBondContact O-CD2 3.37Å; F91-F94 PolarHBondContact O-N 2.77Å; F91-F94 VanDerWaalsContact O-N 3.16Å; F91-L96 HydrophobicContact CD1-CD1 3.62Å; F91-L96 HydrophobicContact CE1-CD1 3.31Å; F91-L96 HydrophobicContact CE1-CD2 4.07Å; F91-L96 HydrophobicContact CE1-CG 4.32Å; F91-L96 HydrophobicContact CZ-CD1 4.28Å
92L72.7Confident70.5Confident48 Ų4861.9 Ų61.925%0.25133%0.326SS..THydrogen-bonded Turntrans-72.71.3177.4-63.5175.9000114I15 T17 G88 M89 F94 L96I15-L92 HydrophobicContact CD1-CD2 4.37Å; I15-L92 HydrophobicContact CG2-CD1 3.81Å; I15-L92 HydrophobicContact CG2-CD2 3.76Å; I15-L92 HydrophobicContact CG2-CG 4.18Å; T17-L92 HydrophobicContact CG2-CD1 3.68Å; G88-L92 PolarHBondContact O-N 3.39Å; G88-L92 VanDerWaalsContact O-N 3.13Å; M89-L92 HydrophobicContact CE-CB 4.42Å; M89-L92 HydrophobicContact CE-CD1 4.4Å; M89-L92 CarbonylContact O-C 3.5Å; M89-L92 PolarHBondContact O-N 3Å; M89-L92 VanDerWaalsContact O-N 3.16Å; M89-L92 HydrophobicContact SD-CD1 3.74Å; L92-F94 PolarHBondContact O-N 3.42Å; L92-L96 HydrophobicContact CD2-CD1 4.21Å
93E68.2Low69Low113 Ų11360.3 Ų60.353%0.52832%0.321SS..THydrogen-bonded Turntrans-67.8-19.5165.8-62.2-167.7-176.500112.6M89 F91M89-E93 PolarHBondContact O-N 3.36Å; F91-E93 PolarHBondContact O-N 2.9Å; F91-E93 VanDerWaalsContact O-N 3.12Å
94F62.5Low67.3Low43 Ų4370.1 Ų70.119%0.18936%0.362CS..SBendtrans-79.7143171.3-61.9-72000111L69 H71 F73 F91 L92 L96L69-F94 HydrophobicContact CD1-CB 4.36Å; L69-F94 HydrophobicContact CD1-CD1 4.42Å; L69-F94 HydrophobicContact CD1-CG 4.45Å; L69-F94 HydrophobicContact CD2-CB 3.78Å; L69-F94 HydrophobicContact CD2-CD2 4.36Å; L69-F94 HydrophobicContact CD2-CG 4.09Å; H71-F94 AromaticContact CE1-CD2 3.69Å; H71-F94 AromaticContact CE1-CE2 3.17Å; H71-F94 WeakPolarHBondContact CE1-CE2 3.27Å; H71-F94 AromaticContact CE1-CZ 3.56Å; H71-F94 AromaticContact ND1-CE2 3.82Å; H71-F94 AromaticContact ND1-CZ 3.74Å; H71-F94 AromaticContact NE2-CD2 3.48Å; H71-F94 WeakPolarHBondContact NE2-CD2 3.07Å; H71-F94 AromaticContact NE2-CE2 3.43Å; H71-F94 WeakPolarHBondContact NE2-CE2 3.29Å; H71-F94 AromaticContact NE2-CG 3.95Å; H71-F94 AromaticContact NE2-CZ 3.81Å; F73-F94 AromaticContact CD2-CE2 3.78Å; F73-F94 HydrophobicContact CD2-CE2 3.78Å; F73-F94 HydrophobicContact CD2-CZ 4.47Å; F73-F94 AromaticContact CE2-CE2 3.69Å; F73-F94 HydrophobicContact CE2-CE2 3.69Å; F91-F94 HydrophobicContact CD2-CD2 4.32Å; F91-F94 WeakPolarHBondContact O-CD2 3.37Å; F91-F94 PolarHBondContact O-N 2.77Å; F91-F94 VanDerWaalsContact O-N 3.16Å; L92-F94 PolarHBondContact O-N 3.42Å; F94-L96 HydrophobicContact CB-CD1 4.12Å; F94-L96 HydrophobicContact CB-CG 4.47Å; F94-L96 PolarHBondContact O-N 2.95Å
95D57.6Low65.3Low75 Ų7576.2 Ų76.240%0.40139%0.388SS..  trans-70.394.8177.2-95.3-23.8000110.9H221D95-H221 IonicContact OD2-CE1 3.77Å; D95-H221 PolarHBondContact OD2-CE1 3.2Å; D95-H221 IonicContact OD2-ND1 2.85Å; D95-H221 PolarHBondContact OD2-ND1 3.01Å
96L62Low62.9Low46 Ų4678.4 Ų78.424%0.24140%0.4CS..  trans-110.1118.2178.6-71141.8000109.8V66 L69 F91 L92 F94 V98V66-L96 HydrophobicContact CG1-CD2 4.33Å; L69-L96 HydrophobicContact CB-CD2 4.36Å; L69-L96 HydrophobicContact CD2-CD1 4.14Å; L69-L96 HydrophobicContact CD2-CD2 3.64Å; L69-L96 HydrophobicContact CD2-CG 3.99Å; F91-L96 HydrophobicContact CD1-CD1 3.62Å; F91-L96 HydrophobicContact CE1-CD1 3.31Å; F91-L96 HydrophobicContact CE1-CD2 4.07Å; F91-L96 HydrophobicContact CE1-CG 4.32Å; F91-L96 HydrophobicContact CZ-CD1 4.28Å; L92-L96 HydrophobicContact CD2-CD1 4.21Å; F94-L96 HydrophobicContact CB-CD1 4.12Å; F94-L96 HydrophobicContact CB-CG 4.47Å; F94-L96 PolarHBondContact O-N 2.95Å; L96-V98 HydrophobicContact CB-CG2 4.49Å; L96-V98 PolarHBondContact O-N 3.24Å
97S58.3Low61Low121 Ų12186.5 Ų86.585%0.84644%0.435SS*.  trans-85.7104164.9-175.20000109.1
98V59.9Low59.1Low86 Ų8689 Ų8952%0.52146%0.456SS..  trans-94.4101.4173.5-174.60000108.4I15 L96 Y100I15-V98 HydrophobicContact CD1-CG2 3.7Å; L96-V98 HydrophobicContact CB-CG2 4.49Å; L96-V98 PolarHBondContact O-N 3.24Å; V98-Y100 PolarHBondContact O-N 3.32Å
99S55.2Low57.4Low99 Ų9990 Ų9069%0.69246%0.461SS*.PPolyproline II helixtrans-76.7117.9174.855.60000110.6C101S99-C101 PolarHBondContact O-N 3.1Å
100Y48.1Very low55.8Low139 Ų13989.8 Ų89.855%0.54547%0.466SS..PPolyproline II helixtrans-77.5118.6177.9179-105.5000111.7V98 R102 D109V98-Y100 PolarHBondContact O-N 3.32Å; Y100-R102 HydrophobicContact CE1-CB 4.42Å; Y100-R102 HydrophobicContact CE1-CG 4.13Å; Y100-D109 PolarHBondContact OH-OD2 3.31Å
101C47.8Very low54.6Low75 Ų7594.3 Ų94.351%0.50749%0.489SS..PPolyproline II helixtrans-88.6126167.5-64.60000110S99 A103S99-C101 PolarHBondContact O-N 3.1Å; C101-A103 PolarHBondContact O-N 3.12Å
102R41.3Very low53Low220 Ų22095.7 Ų95.783%0.8350%0.499SS*.PPolyproline II helixtrans-69.2126.9-171.9-136.9178.3-174160.30.8111.5Y100 K104Y100-R102 HydrophobicContact CE1-CB 4.42Å; Y100-R102 HydrophobicContact CE1-CG 4.13Å; R102-K104 VanDerWaalsContact C-N 3.27Å; R102-K104 PolarHBondContact O-N 2.99Å
103A47.6Very low51.9Low38 Ų38100.2 Ų100.231%0.31451%0.512SS..THydrogen-bonded Turntrans13.9-41.9165.300000122.4C101 E105 N106C101-A103 PolarHBondContact O-N 3.12Å; A103-E105 PolarHBondContact O-N 2.85Å; A103-N106 PolarHBondContact O-N 2.71Å
104K50Low50.9Low214 Ų214105.4 Ų105.493%0.9353%0.527SS*.THydrogen-bonded Turntrans-59-23.8-178.1-88.7-170.4175.7-175.80112.9R102R102-K104 VanDerWaalsContact C-N 3.27Å; R102-K104 PolarHBondContact O-N 2.99Å
105E49.9Very low50.2Low174 Ų174110 Ų11081%0.81355%0.553SS**SBendtrans-116.5-6.3-179.5-66.3173.4177.400113.4A103A103-E105 PolarHBondContact O-N 2.85Å
106N42.9Very low49.6Very low47 Ų47113.6 Ų113.625%0.25157%0.567SS.*  trans-120.7104.7-167.5-170.6-0.4000112.8A103 A108 S112A103-N106 PolarHBondContact O-N 2.71Å; N106-A108 PolarHBondContact O-N 3.47Å; N106-A108 VanDerWaalsContact OD1-CB 3.24Å; N106-A108 WeakPolarHBondContact OD1-CB 2.98Å; N106-A108 PolarHBondContact OD1-N 3.05Å; N106-S112 PolarHBondContact O-OG 2.68Å
107K52Low48.4Very low176 Ų176117 Ų11777%0.76559%0.59SS**THydrogen-bonded Turntrans-74.3-3.6176.7-62.7-170.4177.3-166.30114.4
108A47.6Very low47.6Very low52 Ų52118.6 Ų118.643%0.4359%0.589SS.*THydrogen-bonded Turntrans-82.9-15-179.700000113.9N106N106-A108 PolarHBondContact O-N 3.47Å; N106-A108 VanDerWaalsContact OD1-CB 3.24Å; N106-A108 WeakPolarHBondContact OD1-CB 2.98Å; N106-A108 PolarHBondContact OD1-N 3.05Å
109D47Very low46.6Very low20 Ų20123 Ų12311%0.10760%0.604CS.*  trans-67.1125.2179.5178.23.5000111Y100 I111 S112 R113Y100-D109 PolarHBondContact OH-OD2 3.31Å; D109-I111 PolarHBondContact O-N 3.45Å; D109-I111 WeakPolarHBondContact OD1-CB 3.34Å; D109-I111 PolarHBondContact OD1-N 3.41Å; D109-S112 WeakPolarHBondContact O-CB 3.04Å; D109-S112 PolarHBondContact O-N 3.19Å; D109-S112 VanDerWaalsContact O-N 3.14Å; D109-R113 PolarHBondContact O-N 2.88Å
110P45.7Very low45.7Very low78 Ų78126.9 Ų126.951%0.50661%0.611SS.*THydrogen-bonded Turntrans-54.1-30.5171.4-21.229.5000114.2R113 R114P110-R113 PolarHBondContact O-N 3.08Å; P110-R114 PolarHBondContact O-N 3.42Å
111I48.2Very low45.2Very low117 Ų117129.2 Ų129.260%0.663%0.627SS**THydrogen-bonded Turntrans-71.2-41.7177.6-57.5174.3000109.9D109 R113 R114D109-I111 PolarHBondContact O-N 3.45Å; D109-I111 WeakPolarHBondContact OD1-CB 3.34Å; D109-I111 PolarHBondContact OD1-N 3.41Å; I111-R113 VanDerWaalsContact C-N 3.25Å; I111-R113 PolarHBondContact O-N 2.84Å; I111-R114 WeakPolarHBondContact O-CB 3.41Å; I111-R114 PolarHBondContact O-N 2.76Å
112S48.5Very low44.7Very low29 Ų29132.2 Ų132.220%0.20364%0.643CS.*G310 helixtrans-59-37.5173.3-62.20000112N106 D109 R114 L115N106-S112 PolarHBondContact O-OG 2.68Å; D109-S112 WeakPolarHBondContact O-CB 3.04Å; D109-S112 PolarHBondContact O-N 3.19Å; D109-S112 VanDerWaalsContact O-N 3.14Å; S112-R114 PolarHBondContact O-N 3.38Å; S112-L115 PolarHBondContact O-N 3.16Å
113R49.8Very low44.2Very low143 Ų143130 Ų13054%0.5464%0.642SS.*G310 helixtrans-66.1-19.8175.3-75.8-175-83.1148.5-5.4114.6D109 P110 I111 L115D109-R113 PolarHBondContact O-N 2.88Å; P110-R113 PolarHBondContact O-N 3.08Å; I111-R113 VanDerWaalsContact C-N 3.25Å; I111-R113 PolarHBondContact O-N 2.84Å; R113-L115 VanDerWaalsContact C-N 3.35Å
114R47.9Very low43.7Very low221 Ų221134.9 Ų134.983%0.83466%0.658SS**G310 helixtrans-80.9-16.2177.2-81.1-174.9169.7-173.2-2.9113.4P110 I111 S112P110-R114 PolarHBondContact O-N 3.42Å; I111-R114 WeakPolarHBondContact O-CB 3.41Å; I111-R114 PolarHBondContact O-N 2.76Å; S112-R114 PolarHBondContact O-N 3.38Å
115L47.9Very low43Very low140 Ų140136.3 Ų136.373%0.73366%0.658SS**THydrogen-bonded Turntrans-95.1-10.3-179.1-70.9171.3000113.2S112 R113 T117S112-L115 PolarHBondContact O-N 3.16Å; R113-L115 VanDerWaalsContact C-N 3.35Å; L115-T117 PolarHBondContact O-N 2.76Å
116E43.4Very low42.2Very low150 Ų150134.1 Ų134.170%0.70164%0.642SS**SBendtrans-86.397165.2-72.8178.6179.800107.2
117T38.6Very low41.9Very low117 Ų117133.1 Ų133.172%0.71864%0.639SS**  trans-55.8158.5-172.630.10000115.1L115 E119L115-T117 PolarHBondContact O-N 2.76Å; T117-E119 PolarHBondContact O-N 2.93Å
118D41.5Very low41.1Very low156 Ų156130.1 Ų130.183%0.83463%0.626SS**SBendtrans-30103.5159.3-58.7-56.6000112
119E38.4Very low40.5Very low177 Ų177130.2 Ų130.283%0.82762%0.623SS**  trans-174.4109.8156.1-102.7161.9-14900108.3T117T117-E119 PolarHBondContact O-N 2.93Å
120E36Very low39.8Very low181 Ų181130.8 Ų130.885%0.84663%0.627SS**  trans34.8108.3145.1-57.8-175.4161.100118.9
121E36.9Very low39.6Very low188 Ų188127.4 Ų127.488%0.87961%0.605SS**  175.8137.794.8-112.1-177.3159.200111.3Q123E121-Q123 PolarHBondContact O-N 3.3Å
122V36.8Very low38.9Very low139 Ų139124.1 Ų124.184%0.84259%0.59SS**  trans-74.499178.3175.30000108.7
123Q32.7Very low38.3Very low172 Ų172127.9 Ų127.980%0.80461%0.606SS**  trans-141.6105.2160.5-150.787.811.700110.6E121E121-Q123 PolarHBondContact O-N 3.3Å
124E36.6Very low37.6Very low142 Ų142126.1 Ų126.166%0.66461%0.611SS**  trans51.888.7159.7-115.1173.1-158.200116.3R126E124-R126 PolarHBondContact O-N 3.2Å; E124-R126 IonicContact OE2-NE 2.76Å
125R34.9Very low36.9Very low243 Ų243124.6 Ų124.692%0.91761%0.613SS**  trans-59.382.8160.3-70.2-178.1176.8176.3-0.2109.1S127R125-S127 VanDerWaalsContact C-N 3.3Å; R125-S127 PolarHBondContact O-N 3.31Å; R125-S127 PolarHBondContact O-OG 3.45Å
126R33Very low36.7Very low129 Ų129122 Ų12249%0.48761%0.607SS.*  trans-68.594170.1-75.9-170.9-179.91771.9108.1V82 E124V82-R126 HydrophobicContact CG1-CB 3.7Å; V82-R126 HydrophobicContact CG1-CG 4.47Å; E124-R126 PolarHBondContact O-N 3.2Å; E124-R126 IonicContact OE2-NE 2.76Å
127S36.1Very low37.1Very low26 Ų26121.9 Ų121.918%0.18262%0.617CS.*  trans-63.9141.5179.4-69.10000111.4N48 S50 R125N48-S127 WeakPolarHBondContact CB-O 3.21Å; S50-S127 WeakPolarHBondContact CB-OG 3.44Å; S50-S127 WeakPolarHBondContact OG-CB 3.29Å; S50-S127 PolarHBondContact OG-OG 2.91Å; R125-S127 VanDerWaalsContact C-N 3.3Å; R125-S127 PolarHBondContact O-N 3.31Å; R125-S127 PolarHBondContact O-OG 3.45Å
128K34.5Very low38.5Very low112 Ų112118.9 Ų118.949%0.48760%0.596SS.*  trans-104.2129.9-170-61.4170.2171.2-175.50111.4N48 A49N48-K128 CarbonylContact C-O 3.54Å; A49-K128 WeakPolarHBondContact CA-O 3.38Å; A49-K128 HydrophobicContact CB-CB 4.35Å; A49-K128 VanDerWaalsContact CB-N 3.31Å; A49-K128 WeakPolarHBondContact CB-O 3.44Å; A49-K128 VanDerWaalsContact N-C 3.27Å; A49-K128 PolarHBondContact N-O 3.16Å
129C36.1Very low40.1Very low55 Ų55115 Ų11537%0.37258%0.578SS.*  trans153.7176.2160.4-97.30000110.3L47L47-C129 CarbonylContact C-O 3.59Å; L47-C129 CarbonylContact O-C 3.55Å; L47-C129 WeakPolarHBondContact O-CB 3.42Å
130T33.3Very low42.1Very low31 Ų31110.5 Ų110.519%0.1956%0.557CS.*  cis-179.5106.2-40.5-78.90000107.6G18 S19 L47G18-T130 WeakPolarHBondContact O-CB 3.24Å; G18-T130 WeakPolarHBondContact O-CG2 3.39Å; G18-T130 PolarHBondContact O-OG1 3.09Å; S19-T130 WeakPolarHBondContact CA-OG1 3.45Å; L47-T130 PolarHBondContact O-N 3.25Å
131V41.4Very low44.3Very low7 Ų7106.8 Ų106.84%0.04254%0.543CS..  trans37.7146.9130.4-178.20000125.1S19 S20 V21S19-V131 WeakPolarHBondContact OG-CG2 3.19Å; S20-V131 VanDerWaalsContact N-CG2 3.34Å; V21-V131 VanDerWaalsContact CA-CG1 3.5Å; V21-V131 HydrophobicContact CB-CB 3.87Å; V21-V131 HydrophobicContact CB-CG1 3.17Å; V21-V131 HydrophobicContact CB-CG2 3.64Å; V21-V131 HydrophobicContact CG1-CB 4.28Å; V21-V131 HydrophobicContact CG1-CG1 3.07Å; V21-V131 HydrophobicContact CG2-CB 3.63Å; V21-V131 HydrophobicContact CG2-CG1 3.32Å; V21-V131 HydrophobicContact CG2-CG2 3.32Å; V21-V131 VanDerWaalsContact N-CB 3.25Å; V21-V131 WeakPolarHBondContact O-CG2 3.45Å
132T33.4Very low46.5Very low48 Ų48103 Ų10329%0.29453%0.525SS..  trans-149.776.6160.53.90000119I44 L202I44-T132 VanDerWaalsContact CD1-N 3.31Å; I44-T132 WeakPolarHBondContact CG1-OG1 3.17Å; T132-L202 HydrophobicContact CG2-CD1 3.45Å; T132-L202 VanDerWaalsContact CG2-CD1 3.45Å
133M34Very low48.9Very low108 Ų10897 Ų9753%0.53249%0.488SS..  trans95.6154.6146.7-140.6-156.4-3.800123.1W209M133-W209 HydrophobicContact CE-CD2 4.33Å; M133-W209 HydrophobicContact CE-CE3 3.66Å; M133-W209 HydrophobicContact CE-CH2 3.17Å; M133-W209 HydrophobicContact CE-CZ2 3.91Å; M133-W209 HydrophobicContact CE-CZ3 3.04Å; M133-W209 HydrophobicContact SD-CD2 4.02Å; M133-W209 HydrophobicContact SD-CE3 3.29Å; M133-W209 HydrophobicContact SD-CH2 4.05Å; M133-W209 HydrophobicContact SD-CZ3 3.35Å; M133-W209 WeakPolarHBondContact SD-CZ3 3.42Å
134V36.5Very low51.7Low106 Ų10692 Ų9264%0.64246%0.462SS*.  trans-145.8155.4-176175.90000112.6V21V21-V134 HydrophobicContact CG1-CG2 4.29Å
135Q33.8Very low54.4Low190 Ų19089.1 Ų89.189%0.88845%0.454SS*.  trans-108.3144.6178.8-68.6178.8-22.200113.6
136S41.8Very low57.1Low86 Ų8678 Ų7860%0.60141%0.414SS*.  trans-97.2141.6-174.465.80000114.7
137T52.6Low60Low147 Ų14771.8 Ų71.890%0.90239%0.39SS*.  trans-85.5-4.9174.5-18.90000114.2
138I67.9Low62.8Low54 Ų5474.8 Ų74.828%0.27740%0.404SS..SBendtrans-81.5131.3-178-58.7167.8000108.7E142 L143 L218I138-E142 HydrophobicContact CG2-CB 4.02Å; I138-L143 HydrophobicContact CG2-CB 4.02Å; I138-L218 HydrophobicContact CD1-CD1 4.34Å; I138-L218 HydrophobicContact CG2-CD1 4.22Å
139T75.1Confident65.7Low74 Ų7475.3 Ų75.345%0.45441%0.412SS..  trans-72.7154.4177.665.30000111.4D141 E142 L143T139-D141 PolarHBondContact O-N 2.79Å; T139-E142 PolarHBondContact N-OE2 3.48Å; T139-E142 PolarHBondContact O-N 3.02Å; T139-E142 WeakPolarHBondContact OG1-CB 3.27Å; T139-E142 WeakPolarHBondContact OG1-CG 3.37Å; T139-E142 PolarHBondContact OG1-N 2.77Å; T139-E142 PolarHBondContact OG1-OE2 3.41Å; T139-L143 WeakPolarHBondContact O-CB 3.46Å; T139-L143 PolarHBondContact O-N 3.12Å
140E80.2Confident68.4Low83 Ų8374.1 Ų74.139%0.38840%0.402SS..Hα-helixtrans-58.8-37.4-179.4-167.6-174.1110.300112L143 R144 N193 V195E140-L143 PolarHBondContact O-N 3.16Å; E140-R144 VanDerWaalsContact O-CB 3.28Å; E140-R144 WeakPolarHBondContact O-CB 3.49Å; E140-R144 PolarHBondContact O-N 2.82Å; E140-R144 IonicContact OE1-CZ 3.42Å; E140-R144 IonicContact OE1-NH2 2.78Å; E140-R144 PolarHBondContact OE1-NH2 2.93Å; E140-N193 WeakPolarHBondContact OE1-CB 3.38Å; E140-N193 PolarHBondContact OE1-ND2 2.98Å; E140-N193 PolarHBondContact OE2-ND2 3.46Å; E140-V195 HydrophobicContact CG-CG2 3.71Å
141D83.2Confident71.2Confident103 Ų10377.7 Ų77.755%0.55142%0.424SS*.Hα-helixtrans-71.3-43.1-179.7-72.8-19.8000112.6T139 L143 R144 T145T139-D141 PolarHBondContact O-N 2.79Å; D141-L143 VanDerWaalsContact C-N 3.28Å; D141-L143 PolarHBondContact O-N 3.45Å; D141-R144 PolarHBondContact O-N 3.27Å; D141-R144 IonicContact OD1-CZ 2.93Å; D141-R144 IonicContact OD1-NE 3.92Å; D141-R144 PolarHBondContact OD1-NE 2.79Å; D141-R144 IonicContact OD1-NH2 2.79Å; D141-R144 PolarHBondContact OD1-NH2 3.04Å; D141-T145 WeakPolarHBondContact O-CB 3.11Å; D141-T145 PolarHBondContact O-N 3.08Å; D141-T145 PolarHBondContact O-OG1 3.24Å
142E83.4Confident73.6Confident108 Ų10879.5 Ų79.551%0.50543%0.432SS..Hα-helixtrans-58.7-44.1173.5-73.7166152.900111.1I138 T139 T145 A146I138-E142 HydrophobicContact CG2-CB 4.02Å; T139-E142 PolarHBondContact N-OE2 3.48Å; T139-E142 PolarHBondContact O-N 3.02Å; T139-E142 WeakPolarHBondContact OG1-CB 3.27Å; T139-E142 WeakPolarHBondContact OG1-CG 3.37Å; T139-E142 PolarHBondContact OG1-N 2.77Å; T139-E142 PolarHBondContact OG1-OE2 3.41Å; E142-T145 PolarHBondContact O-N 3.13Å; E142-A146 VanDerWaalsContact O-CB 3.28Å; E142-A146 WeakPolarHBondContact O-CB 3.38Å; E142-A146 PolarHBondContact O-N 3.01Å
143L86.1Confident76.4Confident14 Ų1477.2 Ų77.27%0.07342%0.419CS..Hα-helixtrans-64.7-44.8178.7-178.865.7000111.6I138 T139 E140 D141 A146 Q147 V195 P212 L218I138-L143 HydrophobicContact CG2-CB 4.02Å; T139-L143 WeakPolarHBondContact O-CB 3.46Å; T139-L143 PolarHBondContact O-N 3.12Å; E140-L143 PolarHBondContact O-N 3.16Å; D141-L143 VanDerWaalsContact C-N 3.28Å; D141-L143 PolarHBondContact O-N 3.45Å; L143-A146 PolarHBondContact O-N 2.77Å; L143-Q147 HydrophobicContact CD1-CG 4.41Å; L143-Q147 WeakPolarHBondContact O-CB 2.97Å; L143-Q147 VanDerWaalsContact O-CG 3.3Å; L143-Q147 WeakPolarHBondContact O-CG 3.11Å; L143-Q147 PolarHBondContact O-N 3.1Å; L143-V195 HydrophobicContact CD2-CG1 3.38Å; L143-V195 HydrophobicContact CG-CG1 3.92Å; L143-P212 HydrophobicContact CD2-CB 3.24Å; L143-P212 HydrophobicContact CD2-CG 4.04Å; L143-P212 HydrophobicContact CG-CB 4.47Å; L143-L218 HydrophobicContact CD1-CD1 3.92Å
144R91.4Very high79.3Confident67 Ų6773.7 Ų73.725%0.25340%0.404SS..Hα-helixtrans-58.6-50.4176.9-167.6-164.2-38.5-117.1-7.7111.1E140 D141 A146 Q147 L148 N193 V195E140-R144 VanDerWaalsContact O-CB 3.28Å; E140-R144 WeakPolarHBondContact O-CB 3.49Å; E140-R144 PolarHBondContact O-N 2.82Å; E140-R144 IonicContact OE1-CZ 3.42Å; E140-R144 IonicContact OE1-NH2 2.78Å; E140-R144 PolarHBondContact OE1-NH2 2.93Å; D141-R144 PolarHBondContact O-N 3.27Å; D141-R144 IonicContact OD1-CZ 2.93Å; D141-R144 IonicContact OD1-NE 3.92Å; D141-R144 PolarHBondContact OD1-NE 2.79Å; D141-R144 IonicContact OD1-NH2 2.79Å; D141-R144 PolarHBondContact OD1-NH2 3.04Å; R144-A146 VanDerWaalsContact C-N 3.33Å; R144-A146 PolarHBondContact O-N 3.47Å; R144-Q147 PolarHBondContact O-N 3.46Å; R144-L148 HydrophobicContact CG-CD1 4.4Å; R144-L148 WeakPolarHBondContact O-CG 3.47Å; R144-L148 PolarHBondContact O-N 2.79Å; R144-N193 PolarHBondContact NH1-O 3.43Å; R144-V195 HydrophobicContact CB-CG2 3.73Å; R144-V195 HydrophobicContact CG-CG2 4.19Å
145T93.1Very high81.9Confident80 Ų8072.4 Ų72.449%0.49139%0.39SS..Hα-helixtrans-60.5-44.4178.5-64.40000111D141 E142 Q147 L148 N149D141-T145 WeakPolarHBondContact O-CB 3.11Å; D141-T145 PolarHBondContact O-N 3.08Å; D141-T145 PolarHBondContact O-OG1 3.24Å; E142-T145 PolarHBondContact O-N 3.13Å; T145-Q147 PolarHBondContact O-N 2.79Å; T145-L148 PolarHBondContact O-N 2.74Å; T145-N149 WeakPolarHBondContact O-CB 3.35Å; T145-N149 VanDerWaalsContact O-CG 3.26Å; T145-N149 PolarHBondContact O-N 2.82Å; T145-N149 PolarHBondContact O-ND2 2.97Å
146A92.4Very high84.6Confident9 Ų963.3 Ų63.37%0.07435%0.348CS..Hα-helixtrans-65.5-38.717900000112.7E142 L143 R144 N149 D150 P215 L218E142-A146 VanDerWaalsContact O-CB 3.28Å; E142-A146 WeakPolarHBondContact O-CB 3.38Å; E142-A146 PolarHBondContact O-N 3.01Å; L143-A146 PolarHBondContact O-N 2.77Å; R144-A146 VanDerWaalsContact C-N 3.33Å; R144-A146 PolarHBondContact O-N 3.47Å; A146-N149 PolarHBondContact O-N 3.45Å; A146-D150 PolarHBondContact O-N 2.85Å; A146-D150 VanDerWaalsContact O-N 3.16Å; A146-P215 HydrophobicContact CB-CG 3.51Å; A146-L218 HydrophobicContact CB-CD1 3.42Å; A146-L218 VanDerWaalsContact CB-CD1 3.42Å; A146-L218 HydrophobicContact CB-CD2 4.14Å; A146-L218 HydrophobicContact CB-CG 3.6Å
147Q94.7Very high87Confident0 Ų059.3 Ų59.30%032%0.319CS..Hα-helixtrans-66.5-38175.6-74.2-178.8-14.100112.6L143 R144 T145 N149 D150 L153 S154 I157 L196 V213 P215L143-Q147 HydrophobicContact CD1-CG 4.41Å; L143-Q147 WeakPolarHBondContact O-CB 2.97Å; L143-Q147 VanDerWaalsContact O-CG 3.3Å; L143-Q147 WeakPolarHBondContact O-CG 3.11Å; L143-Q147 PolarHBondContact O-N 3.1Å; R144-Q147 PolarHBondContact O-N 3.46Å; T145-Q147 PolarHBondContact O-N 2.79Å; Q147-N149 VanDerWaalsContact C-N 3.33Å; Q147-D150 PolarHBondContact O-N 3.26Å; Q147-L153 HydrophobicContact CB-CB 4.5Å; Q147-L153 HydrophobicContact CB-CD1 4.37Å; Q147-L153 HydrophobicContact CG-CD1 3.95Å; Q147-S154 PolarHBondContact O-N 2.75Å; Q147-I157 HydrophobicContact CB-CD1 3.84Å; Q147-L196 PolarHBondContact NE2-O 2.97Å; Q147-V213 PolarHBondContact NE2-O 3.03Å; Q147-P215 HydrophobicContact CG-CG 4.3Å
148L94Very high88.8Confident88 Ų8857.7 Ų57.746%0.46130%0.301SS..Hα-helixtrans-71.4-28.5177-70.4174.4000112.8R144 T145 D150 S154 I157R144-L148 HydrophobicContact CG-CD1 4.4Å; R144-L148 WeakPolarHBondContact O-CG 3.47Å; R144-L148 PolarHBondContact O-N 2.79Å; T145-L148 PolarHBondContact O-N 2.74Å; L148-D150 VanDerWaalsContact C-N 3.32Å; L148-S154 WeakPolarHBondContact O-CB 3.4Å; L148-I157 HydrophobicContact CD2-CD1 4.23Å; L148-I157 HydrophobicContact CD2-CG2 4.23Å
149N94.5Very high89.7Confident123 Ų12357.4 Ų57.466%0.65830%0.299SS*.Hα-helixtrans-78.9-16.4174.1-69.9-22.6000112.9T145 A146 Q147T145-N149 WeakPolarHBondContact O-CB 3.35Å; T145-N149 VanDerWaalsContact O-CG 3.26Å; T145-N149 PolarHBondContact O-N 2.82Å; T145-N149 PolarHBondContact O-ND2 2.97Å; A146-N149 PolarHBondContact O-N 3.45Å; Q147-N149 VanDerWaalsContact C-N 3.33Å
150D94.2Very high90.3Very high31 Ų3155.5 Ų55.517%0.16629%0.286CS..SBendtrans-78121.5174.2-177-54.9000110A146 Q147 L148 I152 L153 S154 P215A146-D150 PolarHBondContact O-N 2.85Å; A146-D150 VanDerWaalsContact O-N 3.16Å; Q147-D150 PolarHBondContact O-N 3.26Å; L148-D150 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.12Å; D150-I152 WeakPolarHBondContact OD1-CA 3.36Å; D150-I152 WeakPolarHBondContact OD1-CB 3.48Å; D150-I152 PolarHBondContact OD1-N 2.84Å; D150-L153 HydrophobicContact CB-CB 4Å; D150-L153 HydrophobicContact CB-CD1 4.29Å; D150-L153 HydrophobicContact CB-CG 4.12Å; D150-L153 PolarHBondContact O-N 3.48Å; D150-L153 PolarHBondContact OD1-N 2.87Å; D150-S154 WeakPolarHBondContact O-CB 3.37Å; D150-S154 PolarHBondContact O-N 2.7Å; D150-S154 PolarHBondContact O-OG 2.87Å; D150-P215 HydrophobicContact CB-CB 4Å
151V91.7Very high90.7Very high106 Ų10657.5 Ų57.564%0.64230%0.295SS*.Hα-helixtrans-60.3-29.9-175.3179.30000112.5S154 K155V151-S154 PolarHBondContact O-OG 3.44Å; V151-K155 WeakPolarHBondContact O-CG 3.35Å
152I91.5Very high90.8Very high44 Ų4457.3 Ų57.323%0.22629%0.294CS..Hα-helixtrans-88-48.1-178.5-55.7-51.9000109.9D150 K155 V156 P178 L179 Y182D150-I152 PolarHBondContact O-N 3.12Å; D150-I152 WeakPolarHBondContact OD1-CA 3.36Å; D150-I152 WeakPolarHBondContact OD1-CB 3.48Å; D150-I152 PolarHBondContact OD1-N 2.84Å; I152-K155 PolarHBondContact O-N 3.3Å; I152-V156 WeakPolarHBondContact O-CG2 3.49Å; I152-V156 PolarHBondContact O-N 2.88Å; I152-P178 HydrophobicContact CB-CG 4.44Å; I152-P178 HydrophobicContact CD1-CG 3.43Å; I152-P178 VanDerWaalsContact CD1-CG 3.43Å; I152-P178 HydrophobicContact CG1-CG 3.61Å; I152-P178 HydrophobicContact CG2-CB 4.32Å; I152-P178 HydrophobicContact CG2-CG 3.95Å; I152-L179 HydrophobicContact CG2-CD2 3.88Å; I152-Y182 HydrophobicContact CG2-CD2 4.1Å; I152-Y182 HydrophobicContact CG2-CE2 3.6Å
153L93Very high90.3Very high1 Ų155.4 Ų55.41%0.00530%0.303CS..Hα-helixtrans-67.9-38.3-177.8-59.5-174.2000112.1Q147 D150 K155 V156 I157 Y182 L196 V213 P215Q147-L153 HydrophobicContact CB-CB 4.5Å; Q147-L153 HydrophobicContact CB-CD1 4.37Å; Q147-L153 HydrophobicContact CG-CD1 3.95Å; D150-L153 HydrophobicContact CB-CB 4Å; D150-L153 HydrophobicContact CB-CD1 4.29Å; D150-L153 HydrophobicContact CB-CG 4.12Å; D150-L153 PolarHBondContact O-N 3.48Å; D150-L153 PolarHBondContact OD1-N 2.87Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 3.1Å; L153-V156 WeakPolarHBondContact O-CB 3.49Å; L153-V156 PolarHBondContact O-N 2.76Å; L153-I157 VanDerWaalsContact O-CG1 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 2.96Å; L153-Y182 HydrophobicContact CD2-CE1 3.74Å; L153-Y182 HydrophobicContact CD2-CE2 4.31Å; L153-Y182 VanDerWaalsContact CD2-CZ 3.5Å; L153-Y182 WeakPolarHBondContact CD2-OH 3.48Å; L153-L196 HydrophobicContact CD2-CD2 4.07Å; L153-V213 HydrophobicContact CD1-CG1 4.13Å; L153-V213 HydrophobicContact CD2-CG1 3.85Å; L153-P215 HydrophobicContact CD1-CB 3.84Å
154S93.6Very high89.3Confident33 Ų3356.4 Ų56.423%0.23131%0.31CS..Hα-helixtrans-56.4-42.4174.756.10000112.7Q147 L148 D150 V151 I157 Q158Q147-S154 PolarHBondContact O-N 2.75Å; L148-S154 WeakPolarHBondContact O-CB 3.4Å; D150-S154 WeakPolarHBondContact O-CB 3.37Å; D150-S154 PolarHBondContact O-N 2.7Å; D150-S154 PolarHBondContact O-OG 2.87Å; V151-S154 PolarHBondContact O-OG 3.44Å; S154-I157 PolarHBondContact O-N 2.78Å; S154-Q158 WeakPolarHBondContact O-CB 3.21Å; S154-Q158 PolarHBondContact O-N 2.89Å
155K90.9Very high87.9Confident79 Ų7957.8 Ų57.834%0.34332%0.322SS..Hα-helixtrans-61.7-42.7173.1-73.4-176.3171.3-160.20112.4V151 I152 L153 I157 Q158 E159 E173 L179V151-K155 WeakPolarHBondContact O-CG 3.35Å; I152-K155 PolarHBondContact O-N 3.3Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 3.1Å; K155-I157 VanDerWaalsContact C-N 3.34Å; K155-Q158 PolarHBondContact O-N 3.45Å; K155-E159 PolarHBondContact O-N 3.38Å; K155-E159 VanDerWaalsContact O-N 3.08Å; K155-E173 IonicContact NZ-OE2 3.41Å; K155-E173 PolarHBondContact NZ-OE2 2.91Å; K155-E173 VanDerWaalsContact NZ-OE2 3.16Å; K155-L179 HydrophobicContact CB-CD2 4.46Å; K155-L179 HydrophobicContact CD-CD1 4.4Å
156V91.3Very high86.4Confident0 Ų054.1 Ų54.10%030%0.299CS..Hα-helixtrans-63.4-42.5177.51780000111.3I152 L153 L160 W174 L179 Y182 L189 L196I152-V156 WeakPolarHBondContact O-CG2 3.49Å; I152-V156 PolarHBondContact O-N 2.88Å; L153-V156 WeakPolarHBondContact O-CB 3.49Å; L153-V156 PolarHBondContact O-N 2.76Å; V156-L160 HydrophobicContact CG1-CD1 4.16Å; V156-L160 WeakPolarHBondContact O-CG 3.46Å; V156-L160 PolarHBondContact O-N 3.33Å; V156-L160 VanDerWaalsContact O-N 3.15Å; V156-W174 HydrophobicContact CB-CH2 4.24Å; V156-W174 HydrophobicContact CG2-CH2 3.71Å; V156-W174 HydrophobicContact CG2-CZ3 4.15Å; V156-L179 HydrophobicContact CG2-CD2 4.13Å; V156-Y182 HydrophobicContact CG1-CD1 4.37Å; V156-Y182 HydrophobicContact CG1-CG 4.44Å; V156-Y182 HydrophobicContact CG2-CD1 4.14Å; V156-Y182 HydrophobicContact CG2-CD2 3.82Å; V156-Y182 HydrophobicContact CG2-CE2 4.45Å; V156-Y182 HydrophobicContact CG2-CG 3.64Å; V156-L189 HydrophobicContact CG1-CD1 4.1Å; V156-L196 HydrophobicContact CB-CD2 4.35Å; V156-L196 HydrophobicContact CG1-CD1 4.21Å; V156-L196 HydrophobicContact CG1-CD2 3.82Å
157I92.7Very high84.7Confident2 Ų255.4 Ų55.41%0.0131%0.308CS..Hα-helixtrans-63.2-46.7177.1-68.4172.2000110.4Q147 L148 L153 S154 K155 E159 L160 Q161 L191 L196Q147-I157 HydrophobicContact CB-CD1 3.84Å; L148-I157 HydrophobicContact CD2-CD1 4.23Å; L148-I157 HydrophobicContact CD2-CG2 4.23Å; L153-I157 VanDerWaalsContact O-CG1 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 2.96Å; S154-I157 PolarHBondContact O-N 2.78Å; K155-I157 VanDerWaalsContact C-N 3.34Å; I157-E159 PolarHBondContact O-N 2.85Å; I157-L160 PolarHBondContact O-N 2.77Å; I157-Q161 HydrophobicContact CG2-CG 4.45Å; I157-Q161 WeakPolarHBondContact O-CG 3.4Å; I157-Q161 PolarHBondContact O-N 3.06Å; I157-L191 HydrophobicContact CB-CD2 4.45Å; I157-L191 HydrophobicContact CG1-CD2 4.04Å; I157-L191 HydrophobicContact CG2-CD1 4.12Å; I157-L191 HydrophobicContact CG2-CD2 4Å; I157-L196 HydrophobicContact CD1-CB 4.28Å; I157-L196 HydrophobicContact CG1-CB 4.06Å
158Q90.3Very high83Confident112 Ų11258.4 Ų58.452%0.52333%0.326SS..Hα-helixtrans-60.2-45.4-180-173.1178.913.700112.1S154 K155 Q161 N162S154-Q158 WeakPolarHBondContact O-CB 3.21Å; S154-Q158 PolarHBondContact O-N 2.89Å; K155-Q158 PolarHBondContact O-N 3.45Å; Q158-Q161 PolarHBondContact O-N 2.72Å; Q158-N162 PolarHBondContact O-N 3.48Å; Q158-N162 PolarHBondContact O-ND2 2.82Å
159E87.2Confident81.1Confident49 Ų4959.5 Ų59.523%0.22934%0.337CS..Hα-helixtrans-62.5-44.9177.4-76.2-58.9129.800112K155 I157 Q161 N162 T164 W174K155-E159 PolarHBondContact O-N 3.38Å; K155-E159 VanDerWaalsContact O-N 3.08Å; I157-E159 PolarHBondContact O-N 2.85Å; E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 2.85Å; E159-N162 PolarHBondContact O-N 2.89Å; E159-N162 VanDerWaalsContact O-N 3.16Å; E159-T164 CarbonylContact C-O 3.49Å; E159-T164 VanDerWaalsContact C-O 3.29Å; E159-T164 CarbonylContact O-C 3.56Å; E159-T164 PolarHBondContact O-N 2.84Å; E159-T164 VanDerWaalsContact O-N 3.16Å; E159-T164 WeakPolarHBondContact OE2-CB 3.4Å; E159-T164 WeakPolarHBondContact OE2-CG2 3.49Å; E159-W174 HydrophobicContact CB-CZ2 4.13Å; E159-W174 HydrophobicContact CG-CH2 4.42Å; E159-W174 HydrophobicContact CG-CZ2 3.52Å
160L87.6Confident79.5Confident33 Ų3362.9 Ų62.917%0.17334%0.341CS..Hα-helixtrans-60.6-39.4176.3-76.2169.1000112.2V156 I157 G163 L189 L191 L196V156-L160 HydrophobicContact CG1-CD1 4.16Å; V156-L160 WeakPolarHBondContact O-CG 3.46Å; V156-L160 PolarHBondContact O-N 3.33Å; V156-L160 VanDerWaalsContact O-N 3.15Å; I157-L160 PolarHBondContact O-N 2.77Å; L160-G163 PolarHBondContact O-N 2.82Å; L160-L189 HydrophobicContact CD1-CB 4.2Å; L160-L191 HydrophobicContact CB-CD1 3.72Å; L160-L191 HydrophobicContact CB-CG 4.34Å; L160-L191 HydrophobicContact CD1-CG 4.36Å; L160-L196 HydrophobicContact CD1-CD1 3.42Å; L160-L196 VanDerWaalsContact CD1-CD1 3.42Å
161Q88.2Confident78.3Confident126 Ų12663 Ų6359%0.58935%0.346SS*.Hα-helixtrans-66.7-35.6176-74177.4-31.200112.7I157 Q158 E159 G163 L191I157-Q161 HydrophobicContact CG2-CG 4.45Å; I157-Q161 WeakPolarHBondContact O-CG 3.4Å; I157-Q161 PolarHBondContact O-N 3.06Å; Q158-Q161 PolarHBondContact O-N 2.72Å; E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 2.85Å; Q161-G163 PolarHBondContact O-N 3.34Å; Q161-G163 VanDerWaalsContact O-N 3.09Å; Q161-L191 HydrophobicContact CG-CD1 3.56Å
162N84.3Confident77.6Confident99 Ų9963.9 Ų63.953%0.52935%0.347SS..THydrogen-bonded Turntrans-71.73.2177.2-67.8-21.4000113.1Q158 E159 T164Q158-N162 PolarHBondContact O-N 3.48Å; Q158-N162 PolarHBondContact O-ND2 2.82Å; E159-N162 PolarHBondContact O-N 2.89Å; E159-N162 VanDerWaalsContact O-N 3.16Å; N162-T164 PolarHBondContact O-N 2.96Å; N162-T164 VanDerWaalsContact O-N 3.1Å; N162-T164 PolarHBondContact O-OG1 3.15Å
163G74.7Confident77.2Confident67 Ų6766 Ų6669%0.69136%0.356SS*.THydrogen-bonded Turntrans64.112.7-173.900000113L160 Q161 L165L160-G163 PolarHBondContact O-N 2.82Å; Q161-G163 PolarHBondContact O-N 3.34Å; Q161-G163 VanDerWaalsContact O-N 3.09Å; G163-L165 PolarHBondContact O-N 3.08Å
164T65.2Low76.7Confident35 Ų3566.4 Ų66.422%0.21536%0.357CS..  trans-96.894176.7-53.30000105.5E159 N162E159-T164 CarbonylContact C-O 3.49Å; E159-T164 VanDerWaalsContact C-O 3.29Å; E159-T164 CarbonylContact O-C 3.56Å; E159-T164 PolarHBondContact O-N 2.84Å; E159-T164 VanDerWaalsContact O-N 3.16Å; E159-T164 WeakPolarHBondContact OE2-CB 3.4Å; E159-T164 WeakPolarHBondContact OE2-CG2 3.49Å; N162-T164 PolarHBondContact O-N 2.96Å; N162-T164 VanDerWaalsContact O-N 3.1Å; N162-T164 PolarHBondContact O-OG1 3.15Å
165L60.8Low76Confident96 Ų9670 Ų7050%0.50337%0.369SS..  trans-52136.3172.3-93.1107.6000108.1G163 S167 A186G163-L165 PolarHBondContact O-N 3.08Å; L165-S167 PolarHBondContact O-N 3.07Å; L165-A186 HydrophobicContact CD2-CB 4.36Å
166P61.2Low75.4Confident3 Ų373.2 Ų73.22%0.01938%0.383CS..  trans-64.987.8175.421.2-27.1000108.8W174 A183 A186P166-W174 HydrophobicContact CB-CD2 4.2Å; P166-W174 HydrophobicContact CB-CE3 3.63Å; P166-W174 HydrophobicContact CB-CH2 3.48Å; P166-W174 VanDerWaalsContact CB-CH2 3.48Å; P166-W174 HydrophobicContact CB-CZ2 4.12Å; P166-W174 HydrophobicContact CB-CZ3 3.21Å; P166-W174 HydrophobicContact CG-CH2 4.33Å; P166-W174 HydrophobicContact CG-CZ3 4.17Å; P166-A183 VanDerWaalsContact O-CA 3.31Å; P166-A183 WeakPolarHBondContact O-CA 3.33Å; P166-A186 HydrophobicContact CG-CB 3.81Å; P166-A186 WeakPolarHBondContact O-CB 3.35Å
167S57.9Low74.7Confident37 Ų3779 Ų7926%0.25942%0.418SS..  trans-94.6141.917786.50000108.7L165 T169L165-S167 PolarHBondContact O-N 3.07Å; S167-T169 WeakPolarHBondContact CB-OG1 3.39Å; S167-T169 PolarHBondContact O-N 3.05Å; S167-T169 PolarHBondContact OG-N 2.91Å; S167-T169 PolarHBondContact OG-OG1 2.89Å
168T57.8Low74.2Confident62 Ų6281.9 Ų81.938%0.3844%0.437SS..THydrogen-bonded Turntrans-59.6-12.6170.353.10000112.6K175 L180 A183T168-K175 WeakPolarHBondContact O-CE 3.36Å; T168-L180 HydrophobicContact CG2-CD1 4.3Å; T168-A183 HydrophobicContact CG2-CB 3.8Å
169T55.5Low74Confident112 Ų11277 Ų7769%0.68742%0.415SS*.THydrogen-bonded Turntrans-85.3-19.9-172.535.60000115.5S167S167-T169 WeakPolarHBondContact CB-OG1 3.39Å; S167-T169 PolarHBondContact O-N 3.05Å; S167-T169 PolarHBondContact OG-N 2.91Å; S167-T169 PolarHBondContact OG-OG1 2.89Å
170R60.1Low73.6Confident194 Ų19476.9 Ų76.973%0.73242%0.415SS*.THydrogen-bonded Turntrans-96.9-54.8-173.3-78.2-172.6-179.91802.6116.2
171A69.9Low73.3Confident34 Ų3482.3 Ų82.328%0.28143%0.433SS..  trans-117.7138.7-17200000113.2E173 W174A171-E173 HydrophobicContact CB-CG 4.14Å; A171-E173 PolarHBondContact O-N 2.85Å; A171-W174 PolarHBondContact O-N 3.33Å; A171-W174 VanDerWaalsContact O-N 3.14Å
172N76.4Confident73.2Confident123 Ų12377.4 Ų77.466%0.65841%0.41SS*.G310 helixtrans-62.2-24180-86.8-17.7000113.5K175N172-K175 PolarHBondContact O-N 2.83Å
173E82.6Confident73.1Confident90 Ų9073.2 Ų73.242%0.42139%0.389SS..G310 helixtrans-67.9-35.9175.564177.3162.400112.4K155 A171 K175 K176 L179K155-E173 IonicContact NZ-OE2 3.41Å; K155-E173 PolarHBondContact NZ-OE2 2.91Å; K155-E173 VanDerWaalsContact NZ-OE2 3.16Å; A171-E173 HydrophobicContact CB-CG 4.14Å; A171-E173 PolarHBondContact O-N 2.85Å; E173-K175 PolarHBondContact O-N 3.49Å; E173-K176 PolarHBondContact O-N 3.32Å; E173-K176 VanDerWaalsContact O-N 3.08Å; E173-L179 HydrophobicContact CB-CD1 4.31Å; E173-L179 HydrophobicContact CG-CD1 4.14Å
174W82.9Confident73.3Confident8 Ų876.5 Ų76.53%0.0339%0.386CS..G310 helixtrans-72.6-11.2178.6-72.291000113.4V156 E159 P166 A171 K176 L179 L180 A183V156-W174 HydrophobicContact CB-CH2 4.24Å; V156-W174 HydrophobicContact CG2-CH2 3.71Å; V156-W174 HydrophobicContact CG2-CZ3 4.15Å; E159-W174 HydrophobicContact CB-CZ2 4.13Å; E159-W174 HydrophobicContact CG-CH2 4.42Å; E159-W174 HydrophobicContact CG-CZ2 3.52Å; P166-W174 HydrophobicContact CB-CD2 4.2Å; P166-W174 HydrophobicContact CB-CE3 3.63Å; P166-W174 HydrophobicContact CB-CH2 3.48Å; P166-W174 VanDerWaalsContact CB-CH2 3.48Å; P166-W174 HydrophobicContact CB-CZ2 4.12Å; P166-W174 HydrophobicContact CB-CZ3 3.21Å; P166-W174 HydrophobicContact CG-CH2 4.33Å; P166-W174 HydrophobicContact CG-CZ3 4.17Å; A171-W174 PolarHBondContact O-N 3.33Å; A171-W174 VanDerWaalsContact O-N 3.14Å; W174-K176 VanDerWaalsContact C-N 3.26Å; W174-L179 HydrophobicContact CD2-CB 4.15Å; W174-L179 HydrophobicContact CD2-CD1 4.46Å; W174-L179 HydrophobicContact CE3-CB 3.85Å; W174-L179 HydrophobicContact CE3-CD2 4.39Å; W174-L179 HydrophobicContact CH2-CD2 3.99Å; W174-L179 HydrophobicContact CZ2-CD2 4.2Å; W174-L179 HydrophobicContact CZ3-CB 4.28Å; W174-L179 HydrophobicContact CZ3-CD2 4.08Å; W174-L180 WeakPolarHBondContact O-CA 3.37Å; W174-A183 HydrophobicContact CE3-CB 3.97Å
175K78.7Confident74Confident108 Ų10876.5 Ų76.547%0.4738%0.384SS..G310 helixtrans-84.9-0.6172.3-62.2-180-177.5170.90112.6T168 N172 E173T168-K175 WeakPolarHBondContact O-CE 3.36Å; N172-K175 PolarHBondContact O-N 2.83Å; E173-K175 PolarHBondContact O-N 3.49Å
176K77.3Confident75.1Confident147 Ų14772.2 Ų72.264%0.63936%0.363SS*.SBendtrans-122.7148.1-177.3-61.5-178.1-177.4-179.40111.2E173 W174 L179 L180E173-K176 PolarHBondContact O-N 3.32Å; E173-K176 VanDerWaalsContact O-N 3.08Å; W174-K176 VanDerWaalsContact C-N 3.26Å; K176-L179 PolarHBondContact O-N 3Å; K176-L179 VanDerWaalsContact O-N 3.11Å; K176-L180 PolarHBondContact O-N 3.07Å
177T77.3Confident76.2Confident122 Ų12279.6 Ų79.675%0.74840%0.402SS*.THydrogen-bonded Turntrans-62.2141.7170.2-55.90000109.8
178P83.4Confident77.4Confident62 Ų6279 Ų7940%0.40340%0.398SS..THydrogen-bonded Turncis-86.5-11.95.133.9-34.8000115.3I152 L180 R181I152-P178 HydrophobicContact CB-CG 4.44Å; I152-P178 HydrophobicContact CD1-CG 3.43Å; I152-P178 VanDerWaalsContact CD1-CG 3.43Å; I152-P178 HydrophobicContact CG1-CG 3.61Å; I152-P178 HydrophobicContact CG2-CB 4.32Å; I152-P178 HydrophobicContact CG2-CG 3.95Å; P178-L180 VanDerWaalsContact C-N 3.34Å; P178-L180 PolarHBondContact O-N 3.1Å; P178-R181 PolarHBondContact O-N 3.36Å
179L84.4Confident78.9Confident10 Ų1076.7 Ų76.75%0.05238%0.384CS..Hα-helixtrans-66.6-30.8-174.5-69.9173000114I152 K155 V156 E173 W174 K176 R181 Y182 A183I152-L179 HydrophobicContact CG2-CD2 3.88Å; K155-L179 HydrophobicContact CB-CD2 4.46Å; K155-L179 HydrophobicContact CD-CD1 4.4Å; V156-L179 HydrophobicContact CG2-CD2 4.13Å; E173-L179 HydrophobicContact CB-CD1 4.31Å; E173-L179 HydrophobicContact CG-CD1 4.14Å; W174-L179 HydrophobicContact CD2-CB 4.15Å; W174-L179 HydrophobicContact CD2-CD1 4.46Å; W174-L179 HydrophobicContact CE3-CB 3.85Å; W174-L179 HydrophobicContact CE3-CD2 4.39Å; W174-L179 HydrophobicContact CH2-CD2 3.99Å; W174-L179 HydrophobicContact CZ2-CD2 4.2Å; W174-L179 HydrophobicContact CZ3-CB 4.28Å; W174-L179 HydrophobicContact CZ3-CD2 4.08Å; K176-L179 PolarHBondContact O-N 3Å; K176-L179 VanDerWaalsContact O-N 3.11Å; L179-R181 PolarHBondContact O-N 3.34Å; L179-R181 VanDerWaalsContact O-N 3.12Å; L179-Y182 PolarHBondContact O-N 2.97Å; L179-A183 PolarHBondContact O-N 3.49Å; L179-A183 VanDerWaalsContact O-N 3.1Å
180L80Confident80.6Confident47 Ų4772.7 Ų72.725%0.24636%0.36CS..Hα-helixtrans-51.2-38.3177.517862000112.9T168 W174 K176 P178 Y182 A183 Q184T168-L180 HydrophobicContact CG2-CD1 4.3Å; W174-L180 WeakPolarHBondContact O-CA 3.37Å; K176-L180 PolarHBondContact O-N 3.07Å; P178-L180 VanDerWaalsContact C-N 3.34Å; P178-L180 PolarHBondContact O-N 3.1Å; L180-Y182 VanDerWaalsContact C-N 3.32Å; L180-Y182 PolarHBondContact O-N 3.15Å; L180-A183 PolarHBondContact O-N 2.96Å; L180-Q184 HydrophobicContact CD1-CG 4.24Å; L180-Q184 HydrophobicContact CG-CG 4.47Å; L180-Q184 VanDerWaalsContact O-CG 3.3Å; L180-Q184 WeakPolarHBondContact O-CG 3.36Å; L180-Q184 PolarHBondContact O-N 2.82Å
181R81.3Confident82Confident146 Ų14665.9 Ų65.955%0.55134%0.338SS*.Hα-helixtrans-58.7-46177.5179.3-177.6176.6179.20.5111.3P178 L179 Q184 I185P178-R181 PolarHBondContact O-N 3.36Å; L179-R181 PolarHBondContact O-N 3.34Å; L179-R181 VanDerWaalsContact O-N 3.12Å; R181-Q184 PolarHBondContact O-N 3.48Å; R181-I185 WeakPolarHBondContact O-CG1 3.44Å; R181-I185 PolarHBondContact O-N 3.27Å
182Y85.8Confident82.7Confident24 Ų2466.5 Ų66.59%0.09434%0.34CS..Hα-helixtrans-71.6-33.6-178-62.3-76.7000111.9I152 L153 V156 L179 L180 I185 A186 L189 V213I152-Y182 HydrophobicContact CG2-CD2 4.1Å; I152-Y182 HydrophobicContact CG2-CE2 3.6Å; L153-Y182 HydrophobicContact CD2-CE1 3.74Å; L153-Y182 HydrophobicContact CD2-CE2 4.31Å; L153-Y182 VanDerWaalsContact CD2-CZ 3.5Å; L153-Y182 WeakPolarHBondContact CD2-OH 3.48Å; V156-Y182 HydrophobicContact CG1-CD1 4.37Å; V156-Y182 HydrophobicContact CG1-CG 4.44Å; V156-Y182 HydrophobicContact CG2-CD1 4.14Å; V156-Y182 HydrophobicContact CG2-CD2 3.82Å; V156-Y182 HydrophobicContact CG2-CE2 4.45Å; V156-Y182 HydrophobicContact CG2-CG 3.64Å; L179-Y182 PolarHBondContact O-N 2.97Å; L180-Y182 VanDerWaalsContact C-N 3.32Å; L180-Y182 PolarHBondContact O-N 3.15Å; Y182-I185 HydrophobicContact CD1-CD1 4.47Å; Y182-I185 CarbonylContact O-C 3.56Å; Y182-I185 PolarHBondContact O-N 2.97Å; Y182-A186 WeakPolarHBondContact O-CA 3.39Å; Y182-A186 PolarHBondContact O-N 3.33Å; Y182-L189 HydrophobicContact CD1-CD1 4.02Å; Y182-V213 HydrophobicContact CE1-CG1 4.29Å
183A80.9Confident83.2Confident11 Ų1165.3 Ų65.39%0.09133%0.333CS..Hα-helixtrans-64.4-39.1171.100000112.6P166 T168 W174 L179 L180 I185 A186P166-A183 VanDerWaalsContact O-CA 3.31Å; P166-A183 WeakPolarHBondContact O-CA 3.33Å; T168-A183 HydrophobicContact CG2-CB 3.8Å; W174-A183 HydrophobicContact CE3-CB 3.97Å; L179-A183 PolarHBondContact O-N 3.49Å; L179-A183 VanDerWaalsContact O-N 3.1Å; L180-A183 PolarHBondContact O-N 2.96Å; A183-I185 VanDerWaalsContact C-N 3.29Å; A183-I185 PolarHBondContact O-N 2.8Å; A183-A186 WeakPolarHBondContact O-CB 3.3Å; A183-A186 PolarHBondContact O-N 2.91Å
184Q80.9Confident83.5Confident136 Ų13662.2 Ų62.264%0.63633%0.325SS*.Hα-helixtrans-68.5-28178.9-73.8172.3-25.400113.3L180 R181L180-Q184 HydrophobicContact CD1-CG 4.24Å; L180-Q184 HydrophobicContact CG-CG 4.47Å; L180-Q184 VanDerWaalsContact O-CG 3.3Å; L180-Q184 WeakPolarHBondContact O-CG 3.36Å; L180-Q184 PolarHBondContact O-N 2.82Å; R181-Q184 PolarHBondContact O-N 3.48Å
185I79.1Confident83.9Confident34 Ų3461.8 Ų61.817%0.17432%0.324CS..THydrogen-bonded Turntrans-10714.3-179.571.2-180000112.5R181 Y182 A183 D187 S188 L189R181-I185 WeakPolarHBondContact O-CG1 3.44Å; R181-I185 PolarHBondContact O-N 3.27Å; Y182-I185 HydrophobicContact CD1-CD1 4.47Å; Y182-I185 CarbonylContact O-C 3.56Å; Y182-I185 PolarHBondContact O-N 2.97Å; A183-I185 VanDerWaalsContact C-N 3.29Å; A183-I185 PolarHBondContact O-N 2.8Å; I185-D187 VanDerWaalsContact C-N 3.28Å; I185-D187 PolarHBondContact O-N 2.96Å; I185-S188 WeakPolarHBondContact O-CA 3.4Å; I185-S188 WeakPolarHBondContact O-CB 3.38Å; I185-S188 PolarHBondContact O-N 3.05Å; I185-S188 PolarHBondContact O-OG 3.23Å; I185-L189 HydrophobicContact CD1-CD2 4.07Å; I185-L189 HydrophobicContact CD1-CG 4.44Å; I185-L189 HydrophobicContact CG1-CD1 4.01Å; I185-L189 HydrophobicContact CG1-CD2 4.22Å; I185-L189 HydrophobicContact CG1-CG 4.03Å; I185-L189 PolarHBondContact O-N 3.46Å
186A84.1Confident84.5Confident7 Ų756.7 Ų56.76%0.05830%0.301CS..G310 helixtrans-52.3-43.3-171.200000113L165 P166 Y182 A183 S188 L189L165-A186 HydrophobicContact CD2-CB 4.36Å; P166-A186 HydrophobicContact CG-CB 3.81Å; P166-A186 WeakPolarHBondContact O-CB 3.35Å; Y182-A186 WeakPolarHBondContact O-CA 3.39Å; Y182-A186 PolarHBondContact O-N 3.33Å; A183-A186 WeakPolarHBondContact O-CB 3.3Å; A183-A186 PolarHBondContact O-N 2.91Å; A186-S188 PolarHBondContact O-N 2.56Å; A186-S188 VanDerWaalsContact O-N 3.14Å; A186-L189 PolarHBondContact O-N 2.71Å
187D83.4Confident85.1Confident157 Ų15751 Ų5184%0.8428%0.277SS*.G310 helixtrans-64.7-19.2179.9-61-23.8000113.5I185I185-D187 VanDerWaalsContact C-N 3.28Å; I185-D187 PolarHBondContact O-N 2.96Å
188S84.7Confident85.5Confident25 Ų2549.9 Ų49.918%0.17526%0.259CS..G310 helixtrans-93.3-11.1174.673.20000113I185 A186 R198 T199I185-S188 WeakPolarHBondContact O-CA 3.4Å; I185-S188 WeakPolarHBondContact O-CB 3.38Å; I185-S188 PolarHBondContact O-N 3.05Å; I185-S188 PolarHBondContact O-OG 3.23Å; A186-S188 PolarHBondContact O-N 2.56Å; A186-S188 VanDerWaalsContact O-N 3.14Å; S188-R198 CarbonylContact O-C 3.55Å; S188-R198 WeakPolarHBondContact O-CA 3.32Å; S188-T199 WeakPolarHBondContact O-CB 3.38Å; S188-T199 PolarHBondContact O-N 3.44Å; S188-T199 PolarHBondContact O-OG1 3.35Å
189L89.2Confident85.2Confident14 Ų1448.7 Ų48.77%0.07325%0.251CS..EExtended strand (participates in β ladder)trans-88141.5-178-62.8175.7000111.1V156 L160 Y182 I185 A186 L196 H197 R198 V213V156-L189 HydrophobicContact CG1-CD1 4.1Å; L160-L189 HydrophobicContact CD1-CB 4.2Å; Y182-L189 HydrophobicContact CD1-CD1 4.02Å; I185-L189 HydrophobicContact CD1-CD2 4.07Å; I185-L189 HydrophobicContact CD1-CG 4.44Å; I185-L189 HydrophobicContact CG1-CD1 4.01Å; I185-L189 HydrophobicContact CG1-CD2 4.22Å; I185-L189 HydrophobicContact CG1-CG 4.03Å; I185-L189 PolarHBondContact O-N 3.46Å; A186-L189 PolarHBondContact O-N 2.71Å; L189-L196 HydrophobicContact CB-CD1 4.25Å; L189-L196 HydrophobicContact CD2-CD1 4.42Å; L189-H197 CarbonylContact C-O 3.29Å; L189-H197 WeakPolarHBondContact CA-O 3.24Å; L189-R198 HydrophobicContact CD2-CB 4.17Å; L189-R198 HydrophobicContact CD2-CG 4.36Å; L189-V213 HydrophobicContact CD2-CG2 4.33Å
190S89.5Confident84.5Confident27 Ų2751 Ų5119%0.18926%0.263CS..EExtended strand (participates in β ladder)trans-148.9152.3174.262.70000110.6H197S190-H197 PolarHBondContact N-O 3.47Å; S190-H197 PolarHBondContact O-N 3.33Å
191L90.7Very high83.7Confident51 Ų5157.2 Ų57.227%0.26728%0.283SS..EExtended strand (participates in β ladder)trans-97.1127.2170.6-80167.4000109.5I157 L160 Q161 L196I157-L191 HydrophobicContact CB-CD2 4.45Å; I157-L191 HydrophobicContact CG1-CD2 4.04Å; I157-L191 HydrophobicContact CG2-CD1 4.12Å; I157-L191 HydrophobicContact CG2-CD2 4Å; L160-L191 HydrophobicContact CB-CD1 3.72Å; L160-L191 HydrophobicContact CB-CG 4.34Å; L160-L191 HydrophobicContact CD1-CG 4.36Å; Q161-L191 HydrophobicContact CG-CD1 3.56Å; L191-L196 HydrophobicContact CD2-CB 4.42Å
192C85.2Confident82.4Confident47 Ų4753.9 Ų53.932%0.31828%0.276SS..EExtended strand (participates in β ladder)trans-124.1118171-169.40000106.9G194 V195C192-G194 PolarHBondContact O-N 2.9Å; C192-V195 PolarHBondContact N-O 3.34Å; C192-V195 WeakPolarHBondContact O-CB 3.26Å; C192-V195 PolarHBondContact O-N 3.01Å
193N86.3Confident80.9Confident99 Ų9958.1 Ų58.153%0.52930%0.296SS..THydrogen-bonded Turntrans47.347.7-174.9-56.7-24.6000112.2E140 R144 V195E140-N193 WeakPolarHBondContact OE1-CB 3.38Å; E140-N193 PolarHBondContact OE1-ND2 2.98Å; E140-N193 PolarHBondContact OE2-ND2 3.46Å; R144-N193 PolarHBondContact NH1-O 3.43Å; N193-V195 PolarHBondContact O-N 3.29Å
194G88.6Confident79.9Confident24 Ų2462.5 Ų62.525%0.24732%0.324CS..THydrogen-bonded Turntrans68.5-1.5-179.400000116.2C192C192-G194 PolarHBondContact O-N 2.9Å
195V90.5Very high79Confident0 Ų064 Ų640%034%0.336CS..EExtended strand (participates in β ladder)trans-95127.6173.6176.20000109.9E140 L143 R144 C192 N193 H197 P212E140-V195 HydrophobicContact CG-CG2 3.71Å; L143-V195 HydrophobicContact CD2-CG1 3.38Å; L143-V195 HydrophobicContact CG-CG1 3.92Å; R144-V195 HydrophobicContact CB-CG2 3.73Å; R144-V195 HydrophobicContact CG-CG2 4.19Å; C192-V195 PolarHBondContact N-O 3.34Å; C192-V195 WeakPolarHBondContact O-CB 3.26Å; C192-V195 PolarHBondContact O-N 3.01Å; N193-V195 PolarHBondContact O-N 3.29Å; V195-H197 WeakPolarHBondContact CG1-CE1 3.37Å; V195-H197 PolarHBondContact O-N 3.5Å; V195-H197 PolarHBondContact O-ND1 3.28Å; V195-P212 HydrophobicContact CG1-CB 4.35Å
196L92.5Very high78.1Confident0 Ų067.2 Ų67.20%035%0.35CS..EExtended strand (participates in β ladder)trans-71.1120.9174.7-174.466000110.1Q147 L153 V156 I157 L160 L189 L191 V213Q147-L196 PolarHBondContact NE2-O 2.97Å; L153-L196 HydrophobicContact CD2-CD2 4.07Å; V156-L196 HydrophobicContact CB-CD2 4.35Å; V156-L196 HydrophobicContact CG1-CD1 4.21Å; V156-L196 HydrophobicContact CG1-CD2 3.82Å; I157-L196 HydrophobicContact CD1-CB 4.28Å; I157-L196 HydrophobicContact CG1-CB 4.06Å; L160-L196 HydrophobicContact CD1-CD1 3.42Å; L160-L196 VanDerWaalsContact CD1-CD1 3.42Å; L189-L196 HydrophobicContact CB-CD1 4.25Å; L189-L196 HydrophobicContact CD2-CD1 4.42Å; L191-L196 HydrophobicContact CD2-CB 4.42Å; L196-V213 HydrophobicContact CB-CB 4.44Å; L196-V213 HydrophobicContact CD2-CB 4.07Å; L196-V213 HydrophobicContact CD2-CG1 4.29Å; L196-V213 HydrophobicContact CD2-CG2 4.01Å; L196-V213 HydrophobicContact CG-CB 4.17Å; L196-V213 HydrophobicContact CG-CG2 3.86Å; L196-V213 PolarHBondContact O-N 3.02Å
197H89Confident77Confident28 Ų2870.4 Ų70.413%0.1338%0.377CS..EExtended strand (participates in β ladder)trans-119149.9176-69.678000110.5L189 S190 V195 K210 V211L189-H197 CarbonylContact C-O 3.29Å; L189-H197 WeakPolarHBondContact CA-O 3.24Å; S190-H197 PolarHBondContact N-O 3.47Å; S190-H197 PolarHBondContact O-N 3.33Å; V195-H197 WeakPolarHBondContact CG1-CE1 3.37Å; V195-H197 PolarHBondContact O-N 3.5Å; V195-H197 PolarHBondContact O-ND1 3.28Å; H197-K210 HydrophobicContact CB-CB 4.29Å; H197-V211 CarbonylContact C-O 3.58Å; H197-V211 VanDerWaalsContact CA-O 3.27Å; H197-V211 WeakPolarHBondContact CA-O 3.23Å
198R86.5Confident76.3Confident99 Ų9965.1 Ų65.137%0.37436%0.355SS..EExtended strand (participates in β ladder)trans-106.4128.2166.4-171.1-179.6-177.9-160.1-1.8109.6S188 L189 I200 V211 V213S188-R198 CarbonylContact O-C 3.55Å; S188-R198 WeakPolarHBondContact O-CA 3.32Å; L189-R198 HydrophobicContact CD2-CB 4.17Å; L189-R198 HydrophobicContact CD2-CG 4.36Å; R198-I200 HydrophobicContact CG-CG1 4.45Å; R198-V211 PolarHBondContact N-O 3.34Å; R198-V211 PolarHBondContact O-N 3.04Å; R198-V213 HydrophobicContact CB-CG2 4.36Å
199T77.5Confident75.5Confident37 Ų3769 Ų6923%0.22737%0.366CS..EExtended strand (participates in β ladder)trans-82.3122.5172.7-55.30000108.9S188 A208 W209S188-T199 WeakPolarHBondContact O-CB 3.38Å; S188-T199 PolarHBondContact O-N 3.44Å; S188-T199 PolarHBondContact O-OG1 3.35Å; T199-A208 HydrophobicContact CG2-CB 3.61Å; T199-W209 CarbonylContact C-O 3.5Å; T199-W209 VanDerWaalsContact CA-O 3.25Å; T199-W209 WeakPolarHBondContact CA-O 3.4Å
200I69.9Low74.8Confident59 Ų5974.2 Ų74.230%0.30339%0.388SS..EExtended strand (participates in β ladder)trans-115.8121.4178.5-54.6-178.4000107.2R198 L202 W209 V211R198-I200 HydrophobicContact CG-CG1 4.45Å; I200-L202 HydrophobicContact CG2-CD2 4.25Å; I200-W209 PolarHBondContact N-O 3.14Å; I200-W209 PolarHBondContact O-N 3.19Å; I200-V211 HydrophobicContact CD1-CB 4.26Å; I200-V211 HydrophobicContact CD1-CG2 3.72Å; I200-V211 HydrophobicContact CG1-CG2 4.34Å
201R61.5Low74.2Confident176 Ų17676 Ų7666%0.66440%0.398SS*.  trans-107.7117.1168.1-69.6-176.2-176.2-178.30.6107A208R201-A208 HydrophobicContact CG-CB 3.64Å
202L54.9Low73.9Confident77 Ų7775.7 Ų75.740%0.40340%0.399SS..SBendtrans-74.3-38.6175.4-63.3173.1000109.9T132 I200T132-L202 HydrophobicContact CG2-CD1 3.45Å; T132-L202 VanDerWaalsContact CG2-CD1 3.45Å; I200-L202 HydrophobicContact CG2-CD2 4.25Å
203E54.5Low73.9Confident113 Ų11374.6 Ų74.653%0.52839%0.39SS..SBendtrans-134.8155177.3-70-66.8163.400111.7N205 E206E203-N205 PolarHBondContact O-N 3.06Å; E203-E206 HydrophobicContact CB-CB 4.1Å; E203-E206 HydrophobicContact CB-CG 3.89Å; E203-E206 PolarHBondContact O-N 3.41Å
204P59.7Low73.7Confident103 Ų10372.7 Ų72.767%0.66938%0.377SS*.THydrogen-bonded Turntrans-58.9-30.8-179.1-2433.3000114.4
205N63Low73.5Confident166 Ų16671.6 Ų71.689%0.88837%0.366SS*.THydrogen-bonded Turntrans-104.52.6-173.8-64.2-18.3000113.3E203E203-N205 PolarHBondContact O-N 3.06Å
206E59.2Low72.9Confident102 Ų10277 Ų7748%0.47739%0.391SS..SBendtrans-94.5160.9179.4-79.6-172.3170.200112.7E203 A208E203-E206 HydrophobicContact CB-CB 4.1Å; E203-E206 HydrophobicContact CB-CG 3.89Å; E203-E206 PolarHBondContact O-N 3.41Å; E206-A208 PolarHBondContact O-N 3.48Å
207A60.6Low72.3Confident75 Ų7581.1 Ų81.162%0.6242%0.42SS*.PPolyproline II helixtrans-59.4131.6173.200000110.1W209A207-W209 VanDerWaalsContact O-CD1 3.28Å; A207-W209 PolarHBondContact O-NE1 3.22Å
208A69Low71.6Confident46 Ų4682.1 Ų82.138%0.3843%0.426SS..PPolyproline II helixtrans-75.8132.7176.400000110.2T199 R201 E206T199-A208 HydrophobicContact CG2-CB 3.61Å; R201-A208 HydrophobicContact CG-CB 3.64Å; E206-A208 PolarHBondContact O-N 3.48Å
209W67.4Low70.6Confident106 Ų10681.1 Ų81.140%0.40242%0.422SS..EExtended strand (participates in β ladder)trans-96.5135.1179.9-58.485.7000109.9M133 T199 I200 A207M133-W209 HydrophobicContact CE-CD2 4.33Å; M133-W209 HydrophobicContact CE-CE3 3.66Å; M133-W209 HydrophobicContact CE-CH2 3.17Å; M133-W209 HydrophobicContact CE-CZ2 3.91Å; M133-W209 HydrophobicContact CE-CZ3 3.04Å; M133-W209 HydrophobicContact SD-CD2 4.02Å; M133-W209 HydrophobicContact SD-CE3 3.29Å; M133-W209 HydrophobicContact SD-CH2 4.05Å; M133-W209 HydrophobicContact SD-CZ3 3.35Å; M133-W209 WeakPolarHBondContact SD-CZ3 3.42Å; T199-W209 CarbonylContact C-O 3.5Å; T199-W209 VanDerWaalsContact CA-O 3.25Å; T199-W209 WeakPolarHBondContact CA-O 3.4Å; I200-W209 PolarHBondContact N-O 3.14Å; I200-W209 PolarHBondContact O-N 3.19Å; A207-W209 VanDerWaalsContact O-CD1 3.28Å; A207-W209 PolarHBondContact O-NE1 3.22Å
210K74.7Confident69.5Low124 Ų12483.5 Ų83.554%0.53944%0.437SS..EExtended strand (participates in β ladder)trans-101.9117.7172.5-70.9-172.9179-174.60109.2H197H197-K210 HydrophobicContact CB-CB 4.29Å
211V76.6Confident68Low64 Ų6489.2 Ų89.239%0.38846%0.462SS..EExtended strand (participates in β ladder)trans-111.4126.7179.7-176.40000109.2H197 R198 I200H197-V211 CarbonylContact C-O 3.58Å; H197-V211 VanDerWaalsContact CA-O 3.27Å; H197-V211 WeakPolarHBondContact CA-O 3.23Å; R198-V211 PolarHBondContact N-O 3.34Å; R198-V211 PolarHBondContact O-N 3.04Å; I200-V211 HydrophobicContact CD1-CB 4.26Å; I200-V211 HydrophobicContact CD1-CG2 3.72Å; I200-V211 HydrophobicContact CG1-CG2 4.34Å
212P84.6Confident68.3Low44 Ų4484.9 Ų84.929%0.28645%0.452SS..EExtended strand (participates in β ladder)trans-62.7138176.221.7-30.1000112.1L143 V195 K214L143-P212 HydrophobicContact CD2-CB 3.24Å; L143-P212 HydrophobicContact CD2-CG 4.04Å; L143-P212 HydrophobicContact CG-CB 4.47Å; V195-P212 HydrophobicContact CG1-CB 4.35Å; P212-K214 PolarHBondContact O-N 3.44Å
213V84.9Confident69Low24 Ų2485.3 Ų85.315%0.14545%0.454CS..  trans-80109.9175.6-179.60000109.2Q147 L153 Y182 L189 L196 R198 P215Q147-V213 PolarHBondContact NE2-O 3.03Å; L153-V213 HydrophobicContact CD1-CG1 4.13Å; L153-V213 HydrophobicContact CD2-CG1 3.85Å; Y182-V213 HydrophobicContact CE1-CG1 4.29Å; L189-V213 HydrophobicContact CD2-CG2 4.33Å; L196-V213 HydrophobicContact CB-CB 4.44Å; L196-V213 HydrophobicContact CD2-CB 4.07Å; L196-V213 HydrophobicContact CD2-CG1 4.29Å; L196-V213 HydrophobicContact CD2-CG2 4.01Å; L196-V213 HydrophobicContact CG-CB 4.17Å; L196-V213 HydrophobicContact CG-CG2 3.86Å; L196-V213 PolarHBondContact O-N 3.02Å; R198-V213 HydrophobicContact CB-CG2 4.36Å; V213-P215 WeakPolarHBondContact O-CD 3.4Å
214K82Confident69.8Low59 Ų5983.7 Ų83.726%0.25745%0.45SS..  trans-78.1121-175.7-159.1178.2-172.9-168.80111.8P212 L218P212-K214 PolarHBondContact O-N 3.44Å; K214-L218 WeakPolarHBondContact CE-O 3.48Å; K214-L218 HydrophobicContact CG-CB 4.04Å; K214-L218 PolarHBondContact NZ-O 3.45Å; K214-L218 VanDerWaalsContact NZ-O 3.15Å
215P85.6Confident70.4Confident1 Ų182.6 Ų82.61%0.00644%0.438CS..  trans-67.2159.3173.327-31.8000111.2A146 Q147 D150 L153 V213 S217 L218A146-P215 HydrophobicContact CB-CG 3.51Å; Q147-P215 HydrophobicContact CG-CG 4.3Å; D150-P215 HydrophobicContact CB-CB 4Å; L153-P215 HydrophobicContact CD1-CB 3.84Å; V213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-S217 VanDerWaalsContact C-N 3.27Å; P215-S217 PolarHBondContact O-N 2.92Å; P215-L218 HydrophobicContact CG-CB 4.21Å; P215-L218 HydrophobicContact CG-CD1 3.82Å; P215-L218 HydrophobicContact CG-CG 3.92Å; P215-L218 PolarHBondContact O-N 2.71Å
216E78.6Confident70.9Confident113 Ų11377.4 Ų77.453%0.52841%0.409SS..G310 helixtrans-62.8-34.8-178.4-158.6136.9-115.500112.1L218 R219E216-L218 PolarHBondContact O-N 3.04Å; E216-L218 VanDerWaalsContact O-N 3.15Å; E216-R219 WeakPolarHBondContact O-CB 3.47Å; E216-R219 PolarHBondContact O-N 3.43Å; E216-R219 IonicContact OE1-NH1 3.16Å; E216-R219 PolarHBondContact OE1-NH1 3.29Å
217S79.3Confident71.7Confident88 Ų8875.7 Ų75.762%0.61541%0.405SS*.G310 helixtrans-61.7-20.9176.956.90000115P215P215-S217 VanDerWaalsContact C-N 3.27Å; P215-S217 PolarHBondContact O-N 2.92Å
218L73Confident72.5Confident48 Ų4875.8 Ų75.825%0.25139%0.39SS..G310 helixtrans-100.8-4.1176.9-66.3-179000112.6I138 L143 A146 K214 P215 E216 T220I138-L218 HydrophobicContact CD1-CD1 4.34Å; I138-L218 HydrophobicContact CG2-CD1 4.22Å; L143-L218 HydrophobicContact CD1-CD1 3.92Å; A146-L218 HydrophobicContact CB-CD1 3.42Å; A146-L218 VanDerWaalsContact CB-CD1 3.42Å; A146-L218 HydrophobicContact CB-CD2 4.14Å; A146-L218 HydrophobicContact CB-CG 3.6Å; K214-L218 WeakPolarHBondContact CE-O 3.48Å; K214-L218 HydrophobicContact CG-CB 4.04Å; K214-L218 PolarHBondContact NZ-O 3.45Å; K214-L218 VanDerWaalsContact NZ-O 3.15Å; P215-L218 HydrophobicContact CG-CB 4.21Å; P215-L218 HydrophobicContact CG-CD1 3.82Å; P215-L218 HydrophobicContact CG-CG 3.92Å; P215-L218 PolarHBondContact O-N 2.71Å; E216-L218 PolarHBondContact O-N 3.04Å; E216-L218 VanDerWaalsContact O-N 3.15Å; L218-T220 PolarHBondContact O-N 3.26Å
219R67.1Low72.8Confident78 Ų7878.1 Ų78.129%0.29439%0.39SS..SBendtrans-72.7112.2171.3-63.1-172.9-169.8142.512.9107E216 H221E216-R219 WeakPolarHBondContact O-CB 3.47Å; E216-R219 PolarHBondContact O-N 3.43Å; E216-R219 IonicContact OE1-NH1 3.16Å; E216-R219 PolarHBondContact OE1-NH1 3.29Å; R219-H221 PolarHBondContact O-N 3.28Å; R219-H221 VanDerWaalsContact O-N 3.16Å
220T53.1Low73.2Confident87 Ų8775.8 Ų75.853%0.53439%0.389SS..  trans-63.7111.7169.538.60000107.6L218L218-T220 PolarHBondContact O-N 3.26Å
221H38.9Very low73.1Confident179 Ų17971.4 Ų71.483%0.82938%0.376SS*.  trans-60.40166.9-65.2-52.9000111.1D95 R219D95-H221 IonicContact OD2-CE1 3.77Å; D95-H221 PolarHBondContact OD2-CE1 3.2Å; D95-H221 IonicContact OD2-ND1 2.85Å; D95-H221 PolarHBondContact OD2-ND1 3.01Å; R219-H221 PolarHBondContact O-N 3.28Å; R219-H221 VanDerWaalsContact O-N 3.16Å

Retrieved 221 of 221 residues in 229.8 ms (Link to these results)

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