A0A2K6MJ60_RHIBE Loading...

Beta-arrestin-1

AlphaFold DB , UniProt , Accession A0A2K6MJ60, Species RHIBE (Rhinopithecus bieti, Black snub-nosed monkey), Gene ARRB1, Length 418 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
1M31.6Very low67.5Low254 Ų25494.5 Ų94.5100%1.25148%0.482SS*.  01020-85.8153160.100106.4
2G33.1Very low69.6Low63 Ų6390.8 Ų90.865%0.64948%0.476SS*.  trans-116.8128.4170.400000106.4K4G2-K4 PolarHBondContact O-N 3.23Å
3D38.2Very low71.2Confident143 Ų14384.2 Ų84.277%0.76544%0.443SS*.  trans-48.8112.9174.9-88.9-40.3000109.4G5D3-G5 VanDerWaalsContact C-N 3.29Å; D3-G5 PolarHBondContact O-N 2.94Å
4K49.3Very low72.5Confident179 Ų17985.1 Ų85.178%0.77846%0.456SS*.  trans-88.278.5175.1-76.5-175.3-178.8176.20107.5G2G2-K4 PolarHBondContact O-N 3.23Å
5G60Low73.5Confident14 Ų1481.5 Ų81.514%0.14444%0.437CS..  trans-50147.1163.400000111.8D3 R7 D385D3-G5 VanDerWaalsContact C-N 3.29Å; D3-G5 PolarHBondContact O-N 2.94Å; G5-R7 PolarHBondContact O-N 2.91Å; G5-R7 VanDerWaalsContact O-N 3.11Å; G5-D385 CarbonylContact C-O 3.19Å; G5-D385 WeakPolarHBondContact CA-O 3.04Å
6T77.2Confident74.3Confident66 Ų6679.4 Ų79.441%0.40544%0.44SS..  trans-62.9113.4177-58.40000109.1L100 D385 I386 V387T6-L100 HydrophobicContact CG2-CD1 4.36Å; T6-D385 PolarHBondContact N-O 3.49Å; T6-I386 WeakPolarHBondContact O-CA 3.01Å; T6-V387 PolarHBondContact O-N 2.68Å; T6-V387 VanDerWaalsContact O-N 3.15Å
7R86.1Confident75.3Confident149 Ų14978.8 Ų78.856%0.56243%0.432SS*.EExtended strand (participates in β ladder)trans-76.7132.7179.3-60.5-175.9-165.2-178.32.6110.1G5 V387G5-R7 PolarHBondContact O-N 2.91Å; G5-R7 VanDerWaalsContact O-N 3.11Å; R7-V387 WeakPolarHBondContact CA-O 3.39Å
8V90.1Very high76.2Confident0 Ų074.5 Ų74.50%041%0.408CS..EExtended strand (participates in β ladder)trans-127.7128.9175.51770000108.7Y21 L100 L104 I386 V387 F388 E389V8-Y21 HydrophobicContact CG1-CD1 4.14Å; V8-L100 HydrophobicContact CG2-CD1 3.85Å; V8-L104 HydrophobicContact CG1-CD1 4.17Å; V8-L104 HydrophobicContact CG1-CD2 4.02Å; V8-L104 HydrophobicContact CG2-CD2 4.22Å; V8-I386 HydrophobicContact CB-CG2 4.06Å; V8-I386 HydrophobicContact CG2-CG2 3.72Å; V8-V387 PolarHBondContact N-O 2.86Å; V8-F388 HydrophobicContact CB-CD1 4.06Å; V8-F388 HydrophobicContact CB-CE1 4.31Å; V8-F388 HydrophobicContact CG1-CD1 4.23Å; V8-F388 HydrophobicContact CG1-CE1 4.3Å; V8-F388 CarbonylContact O-C 3.6Å; V8-F388 WeakPolarHBondContact O-CA 3.48Å; V8-E389 PolarHBondContact O-N 2.85Å
9F91.9Very high77.1Confident28 Ų2871.5 Ų71.512%0.12339%0.393CS..EExtended strand (participates in β ladder)trans-88.9136.7178.8-57.5-73000110.4Y21 L22 R25 E389 F391F9-Y21 CarbonylContact O-C 3.43Å; F9-Y21 VanDerWaalsContact O-CA 3.32Å; F9-Y21 WeakPolarHBondContact O-CA 3.39Å; F9-L22 PolarHBondContact N-O 2.93Å; F9-L22 PolarHBondContact O-N 2.98Å; F9-R25 HydrophobicContact CD1-CG 4.35Å; F9-R25 VanDerWaalsContact CD1-CZ 3.46Å; F9-R25 VanDerWaalsContact CD1-NE 3.26Å; F9-R25 HydrophobicContact CD2-CG 3.69Å; F9-R25 HydrophobicContact CE1-CG 4.45Å; F9-R25 HydrophobicContact CE2-CG 3.83Å; F9-R25 HydrophobicContact CG-CG 3.95Å; F9-R25 HydrophobicContact CZ-CG 4.19Å; F9-E389 CarbonylContact C-O 3.56Å; F9-E389 VanDerWaalsContact CA-O 3.24Å; F9-E389 WeakPolarHBondContact CA-O 3.25Å; F9-E389 HydrophobicContact CD1-CB 3.98Å; F9-E389 HydrophobicContact CD1-CG 4.37Å; F9-E389 HydrophobicContact CE1-CB 4.16Å; F9-E389 HydrophobicContact CE1-CG 4.3Å; F9-F391 HydrophobicContact CB-CB 4.32Å; F9-F391 HydrophobicContact CB-CD2 3.73Å; F9-F391 HydrophobicContact CB-CG 4.48Å; F9-F391 HydrophobicContact CG-CD2 4.47Å
10K92.9Very high78Confident71 Ų7168 Ų6831%0.30937%0.373SS..EExtended strand (participates in β ladder)trans-126.2151.6175.870.3178.7-179.1179.90112.9T19 V20 Y21 F388 E389 F391K10-T19 HydrophobicContact CB-CG2 4.26Å; K10-V20 CarbonylContact C-O 3.55Å; K10-V20 WeakPolarHBondContact CA-O 3.34Å; K10-Y21 HydrophobicContact CB-CD1 3.61Å; K10-Y21 HydrophobicContact CB-CE1 3.61Å; K10-Y21 HydrophobicContact CB-CG 4.27Å; K10-Y21 HydrophobicContact CD-CE1 3.73Å; K10-Y21 HydrophobicContact CG-CE1 4.3Å; K10-F388 HydrophobicContact CD-CB 4.13Å; K10-F388 HydrophobicContact CD-CG 4.47Å; K10-E389 PolarHBondContact N-O 2.69Å; K10-F391 PolarHBondContact O-N 3.19Å
11K92.6Very high78.8Confident72 Ų7265.4 Ų65.431%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-141.9129.2167-167.2176178.1175.90109.6T19 V20 V164 R165 L166 F391K11-T19 WeakPolarHBondContact O-CA 3.4Å; K11-V20 PolarHBondContact N-O 3.42Å; K11-V20 PolarHBondContact O-N 3.41Å; K11-V164 HydrophobicContact CB-CG1 3.78Å; K11-V164 HydrophobicContact CD-CG1 3.99Å; K11-V164 HydrophobicContact CG-CG1 3.77Å; K11-V164 WeakPolarHBondContact O-CG1 3.43Å; K11-R165 VanDerWaalsContact CD-O 3.3Å; K11-R165 WeakPolarHBondContact CD-O 3.24Å; K11-R165 WeakPolarHBondContact CE-O 3.46Å; K11-R165 PolarHBondContact NZ-O 3.09Å; K11-L166 HydrophobicContact CB-CD2 3.79Å; K11-L166 HydrophobicContact CB-CG 4.11Å; K11-L166 HydrophobicContact CD-CG 4.22Å; K11-F391 HydrophobicContact CB-CB 4.14Å
12A91.9Very high81.7Confident50 Ų5053.3 Ų53.341%0.41330%0.298SS..EExtended strand (participates in β ladder)trans-94.2156.6176.200000111.3L18 T19A12-L18 CarbonylContact C-O 3.51Å; A12-L18 WeakPolarHBondContact CA-O 3.44Å; A12-T19 HydrophobicContact CB-CG2 4.31Å
13S91.3Very high84.3Confident6 Ų651 Ų514%0.04227%0.274CS..  trans-70.8157.7170.455.10000110.4N15 G16 K17 L18 V164S13-N15 WeakPolarHBondContact CB-OD1 3.43Å; S13-N15 PolarHBondContact O-N 2.91Å; S13-N15 VanDerWaalsContact O-N 3.08Å; S13-N15 PolarHBondContact OG-OD1 2.88Å; S13-G16 WeakPolarHBondContact O-CA 3.3Å; S13-G16 PolarHBondContact O-N 2.82Å; S13-K17 PolarHBondContact OG-N 2.79Å; S13-L18 WeakPolarHBondContact CB-O 3.43Å; S13-L18 PolarHBondContact N-O 3.34Å; S13-L18 PolarHBondContact OG-N 2.99Å; S13-L18 PolarHBondContact OG-O 2.92Å; S13-L18 VanDerWaalsContact OG-O 3.11Å; S13-V164 VanDerWaalsContact N-CG2 3.34Å
14P88.7Confident86.8Confident96 Ų9648.9 Ų48.962%0.62326%0.258SS*.THydrogen-bonded Turntrans-56.2-28.2178.2-28.635.9000114.3S163P14-S163 WeakPolarHBondContact CD-O 3.19Å
15N87.1Confident88.7Confident32 Ų3241.4 Ų41.417%0.17123%0.225CC..THydrogen-bonded Turntrans-88.4-1.8174.566.7-2.6000114.6S13 K17 Y47 R161S13-N15 WeakPolarHBondContact CB-OD1 3.43Å; S13-N15 PolarHBondContact O-N 2.91Å; S13-N15 VanDerWaalsContact O-N 3.08Å; S13-N15 PolarHBondContact OG-OD1 2.88Å; N15-K17 HydrophobicContact CB-CG 4.36Å; N15-K17 PolarHBondContact O-N 3.07Å; N15-K17 PolarHBondContact OD1-N 2.76Å; N15-K17 VanDerWaalsContact OD1-N 3.17Å; N15-Y47 PolarHBondContact ND2-OH 2.96Å; N15-R161 HydrophobicContact CB-CG 3.98Å; N15-R161 PolarHBondContact N-O 2.76Å; N15-R161 PolarHBondContact OD1-O 3.38Å
16G87.7Confident90.1Very high48 Ų4843 Ų4350%0.49523%0.231SC..SBendtrans695.6-17900000115.6S13S13-G16 WeakPolarHBondContact O-CA 3.3Å; S13-G16 PolarHBondContact O-N 2.82Å
17K89.9Confident90.7Very high69 Ų6939.9 Ų39.930%0.321%0.211SC..SBendtrans-89.4-13.7-173.6-60.9-57-170.3176.70114.6S13 N15 D44 Y47S13-K17 PolarHBondContact OG-N 2.79Å; N15-K17 HydrophobicContact CB-CG 4.36Å; N15-K17 PolarHBondContact O-N 3.07Å; N15-K17 PolarHBondContact OD1-N 2.76Å; N15-K17 VanDerWaalsContact OD1-N 3.17Å; K17-D44 HydrophobicContact CB-CB 4.31Å; K17-D44 HydrophobicContact CD-CB 3.84Å; K17-D44 WeakPolarHBondContact CD-OD2 3.37Å; K17-D44 WeakPolarHBondContact CE-OD2 3.43Å; K17-D44 IonicContact NZ-OD2 3.17Å; K17-D44 PolarHBondContact NZ-OD2 2.77Å; K17-D44 PolarHBondContact O-N 3.28Å; K17-D44 VanDerWaalsContact O-N 3.07Å; K17-Y47 HydrophobicContact CB-CD1 3.77Å; K17-Y47 HydrophobicContact CB-CD2 4.42Å; K17-Y47 HydrophobicContact CB-CE1 4.28Å; K17-Y47 HydrophobicContact CB-CG 3.85Å; K17-Y47 HydrophobicContact CD-CG 4.37Å; K17-Y47 HydrophobicContact CG-CD1 4.18Å; K17-Y47 HydrophobicContact CG-CD2 3.91Å; K17-Y47 HydrophobicContact CG-CE2 4.4Å; K17-Y47 HydrophobicContact CG-CG 3.78Å
18L91.9Very high90.8Very high1 Ų133.3 Ų33.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-134127.2178179.264.6000108.2A12 S13 V41 V43 V53 A148 V164A12-L18 CarbonylContact C-O 3.51Å; A12-L18 WeakPolarHBondContact CA-O 3.44Å; S13-L18 WeakPolarHBondContact CB-O 3.43Å; S13-L18 PolarHBondContact N-O 3.34Å; S13-L18 PolarHBondContact OG-N 2.99Å; S13-L18 PolarHBondContact OG-O 2.92Å; S13-L18 VanDerWaalsContact OG-O 3.11Å; L18-V41 HydrophobicContact CD1-CB 4.25Å; L18-V43 HydrophobicContact CD1-CG1 4.4Å; L18-V43 HydrophobicContact CD1-CG2 3.93Å; L18-V53 HydrophobicContact CD1-CG1 3.93Å; L18-A148 HydrophobicContact CD2-CB 3.89Å; L18-V164 HydrophobicContact CB-CG2 4.39Å; L18-V164 HydrophobicContact CD2-CG2 4.2Å; L18-V164 HydrophobicContact CG-CG2 4.11Å; L18-V164 WeakPolarHBondContact O-CG2 2.91Å
19T93.3Very high90.6Very high18 Ų1833.7 Ų33.711%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-129.5130.9177-55.20000110.1K10 K11 A12 Y21 V41 L42K10-T19 HydrophobicContact CB-CG2 4.26Å; K11-T19 WeakPolarHBondContact O-CA 3.4Å; A12-T19 HydrophobicContact CB-CG2 4.31Å; T19-Y21 HydrophobicContact CG2-CD2 4.2Å; T19-Y21 HydrophobicContact CG2-CE2 3.49Å; T19-Y21 VanDerWaalsContact CG2-CE2 3.49Å; T19-V41 CarbonylContact O-C 3.54Å; T19-V41 WeakPolarHBondContact O-CA 3.45Å; T19-L42 PolarHBondContact N-O 3.39Å; T19-L42 PolarHBondContact O-N 3.19Å
20V95.2Very high90Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-102.4135.5177.8-176.20000109.2K10 K11 L22 V41 F115 A148 V164 L166K10-V20 CarbonylContact C-O 3.55Å; K10-V20 WeakPolarHBondContact CA-O 3.34Å; K11-V20 PolarHBondContact N-O 3.42Å; K11-V20 PolarHBondContact O-N 3.41Å; V20-L22 HydrophobicContact CG1-CG 4.4Å; V20-V41 HydrophobicContact CG2-CG1 4.19Å; V20-F115 HydrophobicContact CG1-CE1 4.09Å; V20-F115 HydrophobicContact CG1-CZ 3.92Å; V20-A148 HydrophobicContact CG2-CB 3.44Å; V20-A148 VanDerWaalsContact CG2-CB 3.44Å; V20-V164 HydrophobicContact CB-CG1 4.42Å; V20-V164 HydrophobicContact CG2-CB 3.85Å; V20-V164 HydrophobicContact CG2-CG1 3.94Å; V20-V164 HydrophobicContact CG2-CG2 4.24Å; V20-L166 HydrophobicContact CB-CD1 3.78Å; V20-L166 HydrophobicContact CB-CD2 4.34Å; V20-L166 HydrophobicContact CG1-CD1 3.81Å; V20-L166 HydrophobicContact CG1-CD2 4.28Å; V20-L166 HydrophobicContact CG2-CD1 3.94Å
21Y94.4Very high89.2Confident14 Ų1434.7 Ų34.76%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-118.5130.5175.6-63.4-97.7000110V8 F9 K10 T19 G39 V40 L42 L108 F388V8-Y21 HydrophobicContact CG1-CD1 4.14Å; F9-Y21 CarbonylContact O-C 3.43Å; F9-Y21 VanDerWaalsContact O-CA 3.32Å; F9-Y21 WeakPolarHBondContact O-CA 3.39Å; K10-Y21 HydrophobicContact CB-CD1 3.61Å; K10-Y21 HydrophobicContact CB-CE1 3.61Å; K10-Y21 HydrophobicContact CB-CG 4.27Å; K10-Y21 HydrophobicContact CD-CE1 3.73Å; K10-Y21 HydrophobicContact CG-CE1 4.3Å; T19-Y21 HydrophobicContact CG2-CD2 4.2Å; T19-Y21 HydrophobicContact CG2-CE2 3.49Å; T19-Y21 VanDerWaalsContact CG2-CE2 3.49Å; Y21-G39 WeakPolarHBondContact O-CA 3.5Å; Y21-V40 PolarHBondContact N-O 3.46Å; Y21-V40 PolarHBondContact O-N 2.98Å; Y21-L42 HydrophobicContact CD2-CB 4.46Å; Y21-L42 HydrophobicContact CE2-CB 3.74Å; Y21-L42 HydrophobicContact CE2-CD2 4.32Å; Y21-L108 HydrophobicContact CD1-CD1 4.29Å; Y21-L108 HydrophobicContact CD2-CD1 3.65Å; Y21-L108 HydrophobicContact CE1-CD1 4.26Å; Y21-L108 HydrophobicContact CE1-CD2 4.02Å; Y21-L108 HydrophobicContact CE2-CD1 3.63Å; Y21-L108 HydrophobicContact CE2-CD2 4.14Å; Y21-L108 HydrophobicContact CG-CD1 4Å; Y21-F388 AromaticContact CD1-CD1 3.83Å; Y21-F388 HydrophobicContact CD1-CD1 3.83Å; Y21-F388 AromaticContact CD1-CE1 3.65Å; Y21-F388 HydrophobicContact CD1-CE1 3.65Å; Y21-F388 AromaticContact CE1-CD1 3.73Å; Y21-F388 HydrophobicContact CE1-CD1 3.73Å; Y21-F388 AromaticContact CE1-CE1 3.59Å; Y21-F388 HydrophobicContact CE1-CE1 3.59Å; Y21-F388 HydrophobicContact CE1-CG 4.37Å; Y21-F388 HydrophobicContact CE1-CZ 4.12Å
22L93.5Very high88.5Confident0 Ų037.5 Ų37.50%022%0.215CC..EExtended strand (participates in β ladder)trans-131.9138.8177.5-71.1175.2000110.1F9 V20 V37 F115 L166 I168 F391F9-L22 PolarHBondContact N-O 2.93Å; F9-L22 PolarHBondContact O-N 2.98Å; V20-L22 HydrophobicContact CG1-CG 4.4Å; L22-V37 HydrophobicContact CD2-CG1 4.01Å; L22-F115 HydrophobicContact CD2-CE2 4.14Å; L22-F115 HydrophobicContact CD2-CZ 3.82Å; L22-L166 HydrophobicContact CD1-CD2 4.05Å; L22-I168 HydrophobicContact CD1-CG2 3.99Å; L22-F391 HydrophobicContact CD1-CD2 4.42Å; L22-F391 HydrophobicContact CD1-CE2 3.83Å
23G87.8Confident88.1Confident14 Ų1440.1 Ų40.114%0.14422%0.222CC..SBendtrans-73.1-28.3176.300000113.7
24K89.7Confident87.9Confident99 Ų9940.4 Ų40.443%0.4322%0.223SC..  trans-137.3152.5-174.9-60.3177.9-177.3173.30110.9F27 D35K24-F27 HydrophobicContact CB-CE1 4.32Å; K24-F27 HydrophobicContact CB-CZ 4.19Å; K24-D35 IonicContact NZ-OD2 2.76Å; K24-D35 PolarHBondContact NZ-OD2 3.44Å; K24-D35 VanDerWaalsContact NZ-OD2 3.09Å
25R89.7Confident87.9Confident22 Ų2237 Ų378%0.08320%0.2CC..SBendtrans-99-21.3169.1-52.9-171.1-175.2142.8-4.8112.7F9 I168 R169 E389 D390 F391 A392 R393F9-R25 HydrophobicContact CD1-CG 4.35Å; F9-R25 VanDerWaalsContact CD1-CZ 3.46Å; F9-R25 VanDerWaalsContact CD1-NE 3.26Å; F9-R25 HydrophobicContact CD2-CG 3.69Å; F9-R25 HydrophobicContact CE1-CG 4.45Å; F9-R25 HydrophobicContact CE2-CG 3.83Å; F9-R25 HydrophobicContact CG-CG 3.95Å; F9-R25 HydrophobicContact CZ-CG 4.19Å; R25-I168 CarbonylContact O-C 3.53Å; R25-I168 WeakPolarHBondContact O-CA 3.21Å; R25-R169 PolarHBondContact O-N 3.19Å; R25-E389 IonicContact NH2-OE1 3.71Å; R25-E389 PolarHBondContact NH2-OE1 2.78Å; R25-D390 PolarHBondContact NH2-O 3.42Å; R25-F391 HydrophobicContact CB-CE2 4.17Å; R25-F391 HydrophobicContact CB-CZ 4.26Å; R25-F391 HydrophobicContact CG-CD2 4.06Å; R25-F391 HydrophobicContact CG-CE2 3.68Å; R25-F391 HydrophobicContact CG-CZ 4.11Å; R25-F391 PolarHBondContact NE-O 2.85Å; R25-A392 PolarHBondContact NH2-O 2.88Å; R25-A392 VanDerWaalsContact NH2-O 3.12Å; R25-R393 PolarHBondContact O-NH2 2.8Å
26D89.2Confident88.1Confident48 Ų4838.3 Ų38.326%0.25721%0.21SC..EExtended strand (participates in β ladder)trans-121.9124.6-176.2-57.4-21.3000108.2R169 V171 R393D26-R169 CarbonylContact C-O 3.48Å; D26-R169 WeakPolarHBondContact CA-O 3.1Å; D26-R169 WeakPolarHBondContact OD1-CB 3.19Å; D26-R169 IonicContact OD1-CZ 2.86Å; D26-R169 IonicContact OD1-NE 3.77Å; D26-R169 PolarHBondContact OD1-NE 3.28Å; D26-R169 IonicContact OD1-NH2 2.84Å; D26-R169 PolarHBondContact OD1-NH2 3.23Å; D26-R169 IonicContact OD2-CZ 2.76Å; D26-R169 IonicContact OD2-NE 2.9Å; D26-R169 IonicContact OD2-NH2 3.15Å; D26-R169 PolarHBondContact OD2-NH2 2.97Å; D26-V171 HydrophobicContact CB-CG1 4.42Å; D26-V171 HydrophobicContact CB-CG2 4.3Å; D26-R393 IonicContact OD1-CZ 3.82Å; D26-R393 VanDerWaalsContact OD1-CZ 3.31Å; D26-R393 IonicContact OD1-NH1 3.41Å; D26-R393 PolarHBondContact OD1-NH1 2.95Å; D26-R393 IonicContact OD1-NH2 3.05Å; D26-R393 PolarHBondContact OD1-NH2 3Å; D26-R393 IonicContact OD2-NH1 2.71Å
27F90Very high88.4Confident1 Ų136 Ų360%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-112.9131.8-178-66.7-89.1000109.4K24 D35 P36 V37 I168 R169 K170 V171K24-F27 HydrophobicContact CB-CE1 4.32Å; K24-F27 HydrophobicContact CB-CZ 4.19Å; F27-D35 HydrophobicContact CB-CB 4.38Å; F27-D35 HydrophobicContact CD1-CB 4.19Å; F27-P36 WeakPolarHBondContact CD1-O 3.46Å; F27-P36 WeakPolarHBondContact CE1-O 3.42Å; F27-V37 HydrophobicContact CD1-CG2 3.93Å; F27-V37 HydrophobicContact CD2-CG2 4.06Å; F27-V37 VanDerWaalsContact CE1-CA 3.5Å; F27-V37 HydrophobicContact CE1-CB 4.06Å; F27-V37 HydrophobicContact CE1-CG1 4.23Å; F27-V37 HydrophobicContact CE1-CG2 3.93Å; F27-V37 HydrophobicContact CE2-CG1 4.15Å; F27-V37 HydrophobicContact CE2-CG2 4.03Å; F27-V37 HydrophobicContact CG-CG2 4.02Å; F27-V37 HydrophobicContact CZ-CB 4.06Å; F27-V37 HydrophobicContact CZ-CG1 3.74Å; F27-V37 HydrophobicContact CZ-CG2 3.96Å; F27-I168 HydrophobicContact CD2-CB 4.06Å; F27-I168 HydrophobicContact CD2-CD1 3.76Å; F27-I168 HydrophobicContact CD2-CG1 4.37Å; F27-I168 HydrophobicContact CD2-CG2 4.49Å; F27-I168 HydrophobicContact CE2-CB 3.94Å; F27-I168 HydrophobicContact CE2-CD1 3.81Å; F27-I168 HydrophobicContact CE2-CG1 4.46Å; F27-I168 HydrophobicContact CE2-CG2 3.87Å; F27-R169 PolarHBondContact N-O 3.32Å; F27-K170 WeakPolarHBondContact O-CA 3.27Å; F27-V171 PolarHBondContact O-N 3.31Å
28V87.3Confident88.5Confident11 Ų1133.8 Ų33.87%0.06718%0.178CC..EExtended strand (participates in β ladder)trans-90.3131.1-167.5-177.90000110.6V34 D35 V171 Y173V28-V34 WeakPolarHBondContact O-CA 3.37Å; V28-D35 PolarHBondContact O-N 2.97Å; V28-V171 CarbonylContact C-O 3.57Å; V28-V171 WeakPolarHBondContact CA-O 3.48Å; V28-V171 HydrophobicContact CG2-CG2 4.37Å; V28-Y173 HydrophobicContact CB-CD2 4.25Å; V28-Y173 HydrophobicContact CB-CE2 3.98Å; V28-Y173 HydrophobicContact CG1-CD2 3.18Å; V28-Y173 HydrophobicContact CG1-CE2 3.4Å; V28-Y173 HydrophobicContact CG1-CG 4.18Å; V28-Y173 HydrophobicContact CG2-CD2 4.06Å; V28-Y173 HydrophobicContact CG2-CE2 3.29Å
29D86.4Confident88.5Confident7 Ų733.8 Ų33.84%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-91.7108.6168.6-169.3-17.4000110.3I31 V34 K170 V171 Q172D29-I31 PolarHBondContact O-N 3.12Å; D29-I31 WeakPolarHBondContact OD1-CA 3.42Å; D29-I31 PolarHBondContact OD1-N 2.85Å; D29-V34 HydrophobicContact CB-CG2 4.37Å; D29-K170 HydrophobicContact CB-CG 4.43Å; D29-K170 VanDerWaalsContact CG-CE 3.47Å; D29-K170 WeakPolarHBondContact OD2-CE 3.27Å; D29-K170 IonicContact OD2-NZ 3.35Å; D29-K170 PolarHBondContact OD2-NZ 3.08Å; D29-V171 PolarHBondContact N-O 2.65Å; D29-Q172 HydrophobicContact CB-CB 4.37Å; D29-Q172 HydrophobicContact CB-CG 4.18Å
30H80.5Confident88.5Confident68 Ų6832.9 Ų32.932%0.31517%0.172SC..  trans-56-9.217047.9-159000116.9D32 L33 D35H30-D32 PolarHBondContact O-N 3.31Å; H30-L33 WeakPolarHBondContact CA-O 3.44Å; H30-L33 PolarHBondContact N-O 3.45Å; H30-D35 IonicContact CD2-OD1 2.67Å; H30-D35 IonicContact CE1-OD1 3.69Å; H30-D35 IonicContact NE2-OD1 3.74Å; H30-D35 PolarHBondContact NE2-OD1 3.37Å
31I75.9Confident88.4Confident53 Ų5332.9 Ų32.927%0.27217%0.172SC..SBendtrans65.2-71.7-147.3-55.1166.4000107.7D29 P121 P175 L305 R307D29-I31 PolarHBondContact O-N 3.12Å; D29-I31 WeakPolarHBondContact OD1-CA 3.42Å; D29-I31 PolarHBondContact OD1-N 2.85Å; I31-P121 WeakPolarHBondContact O-CB 3.46Å; I31-P175 HydrophobicContact CD1-CB 4.36Å; I31-L305 HydrophobicContact CD1-CD1 3.99Å; I31-L305 HydrophobicContact CG1-CD1 4.36Å; I31-R307 VanDerWaalsContact C-NH2 3.31Å; I31-R307 PolarHBondContact O-NH2 3.3Å
32D77.4Confident88.4Confident130 Ų13034.4 Ų34.470%0.69518%0.181SC*.SBendtrans-66.7-41.2-172.1-66.4-36.7000114.2H30H30-D32 PolarHBondContact O-N 3.31Å
33L83.1Confident88.3Confident105 Ų10534.6 Ų34.655%0.5518%0.183SC..  trans-136.7153.1-178.267.298.5000110.6H30H30-L33 WeakPolarHBondContact CA-O 3.44Å; H30-L33 PolarHBondContact N-O 3.45Å
34V87.4Confident88.4Confident13 Ų1335.8 Ų35.88%0.07919%0.185CC..BIsolated β-bridgetrans-110.8138.1173.9-172.80000108.3V28 D29 I119 P121V28-V34 WeakPolarHBondContact O-CA 3.37Å; D29-V34 HydrophobicContact CB-CG2 4.37Å; V34-I119 HydrophobicContact CB-CB 4.08Å; V34-I119 HydrophobicContact CG1-CB 3.88Å; V34-I119 HydrophobicContact CG1-CD1 4.28Å; V34-I119 HydrophobicContact CG1-CG2 4.23Å; V34-I119 HydrophobicContact CG2-CB 4.47Å; V34-I119 HydrophobicContact CG2-CG2 4.42Å; V34-I119 WeakPolarHBondContact CG2-O 3.41Å; V34-P121 HydrophobicContact CG2-CB 4.29Å
35D89.4Confident88.1Confident25 Ų2534 Ų3413%0.13418%0.184CC..  trans-50.9124.5172.6-8211.6000109.4K24 F27 V28 H30K24-D35 IonicContact NZ-OD2 2.76Å; K24-D35 PolarHBondContact NZ-OD2 3.44Å; K24-D35 VanDerWaalsContact NZ-OD2 3.09Å; F27-D35 HydrophobicContact CB-CB 4.38Å; F27-D35 HydrophobicContact CD1-CB 4.19Å; V28-D35 PolarHBondContact O-N 2.97Å; H30-D35 IonicContact CD2-OD1 2.67Å; H30-D35 IonicContact CE1-OD1 3.69Å; H30-D35 IonicContact NE2-OD1 3.74Å; H30-D35 PolarHBondContact NE2-OD1 3.37Å
36P91.1Very high87.9Confident58 Ų5840.6 Ų40.638%0.37722%0.216SC..  trans-66.5146.918027.8-34.1000110.4F27 D38 T116 F117F27-P36 WeakPolarHBondContact CD1-O 3.46Å; F27-P36 WeakPolarHBondContact CE1-O 3.42Å; P36-D38 PolarHBondContact O-N 2.8Å; P36-T116 HydrophobicContact CB-CG2 4.12Å; P36-F117 CarbonylContact C-O 3.59Å; P36-F117 WeakPolarHBondContact CA-O 3.34Å
37V93Very high87.5Confident0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-85.196.7173.7-176.80000108.1L22 F27 L57 T116 F117 I119 V146 I168L22-V37 HydrophobicContact CD2-CG1 4.01Å; F27-V37 HydrophobicContact CD1-CG2 3.93Å; F27-V37 HydrophobicContact CD2-CG2 4.06Å; F27-V37 VanDerWaalsContact CE1-CA 3.5Å; F27-V37 HydrophobicContact CE1-CB 4.06Å; F27-V37 HydrophobicContact CE1-CG1 4.23Å; F27-V37 HydrophobicContact CE1-CG2 3.93Å; F27-V37 HydrophobicContact CE2-CG1 4.15Å; F27-V37 HydrophobicContact CE2-CG2 4.03Å; F27-V37 HydrophobicContact CG-CG2 4.02Å; F27-V37 HydrophobicContact CZ-CB 4.06Å; F27-V37 HydrophobicContact CZ-CG1 3.74Å; F27-V37 HydrophobicContact CZ-CG2 3.96Å; V37-L57 HydrophobicContact CG2-CD2 4.36Å; V37-T116 CarbonylContact O-C 3.56Å; V37-T116 VanDerWaalsContact O-CA 3.31Å; V37-T116 WeakPolarHBondContact O-CA 3.37Å; V37-F117 HydrophobicContact CB-CB 4.19Å; V37-F117 PolarHBondContact N-O 3.46Å; V37-F117 PolarHBondContact O-N 2.81Å; V37-I119 HydrophobicContact CG2-CD1 3.76Å; V37-I119 HydrophobicContact CG2-CG1 4.26Å; V37-V146 HydrophobicContact CG1-CG2 4.15Å; V37-I168 HydrophobicContact CG1-CD1 4.27Å; V37-I168 HydrophobicContact CG2-CD1 3.65Å
38D91.8Very high86.9Confident23 Ų2341.1 Ų41.112%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-101.4134.2176.268.3-39000111.9P36 T98P36-D38 PolarHBondContact O-N 2.8Å; D38-T98 HydrophobicContact CB-CG2 3.86Å; D38-T98 WeakPolarHBondContact OD2-CB 3.33Å; D38-T98 PolarHBondContact OD2-OG1 2.82Å
39G92.4Very high86.6Confident0 Ų049.3 Ų49.30%025%0.25CC..EExtended strand (participates in β ladder)trans-159.9177.9-179.900000113.5Y21 Q101 F115Y21-G39 WeakPolarHBondContact O-CA 3.5Å; G39-Q101 PolarHBondContact O-NE2 2.9Å; G39-F115 VanDerWaalsContact C-CE1 3.42Å; G39-F115 PolarHBondContact N-O 2.94Å; G39-F115 PolarHBondContact O-N 3.24Å; G39-F115 VanDerWaalsContact O-O 3.13Å
40V93.3Very high86.3Confident0 Ų057.5 Ų57.50%029%0.288CS..EExtended strand (participates in β ladder)trans-133.6138178.2178.70000109.1Y21 Q101 L104 I105 L108 A112 Y113Y21-V40 PolarHBondContact N-O 3.46Å; Y21-V40 PolarHBondContact O-N 2.98Å; V40-Q101 HydrophobicContact CG2-CB 4.24Å; V40-Q101 HydrophobicContact CG2-CG 4.03Å; V40-L104 HydrophobicContact CB-CB 4.37Å; V40-L104 HydrophobicContact CB-CD1 4.33Å; V40-L104 HydrophobicContact CG2-CB 3.82Å; V40-L104 HydrophobicContact CG2-CD1 3.96Å; V40-I105 HydrophobicContact CG1-CG1 4.44Å; V40-I105 HydrophobicContact CG2-CG1 4.41Å; V40-L108 HydrophobicContact CG1-CD1 4.24Å; V40-A112 HydrophobicContact CG1-CB 3.71Å; V40-Y113 CarbonylContact C-O 3.58Å; V40-Y113 WeakPolarHBondContact CA-O 3.47Å
41V94Very high86.5Confident0 Ų057.1 Ų57.10%028%0.284CS..EExtended strand (participates in β ladder)trans-103.3128169.1-62.60000109.9L18 T19 V20 V43 V53 V55 A112 Y113 F115 A148L18-V41 HydrophobicContact CD1-CB 4.25Å; T19-V41 CarbonylContact O-C 3.54Å; T19-V41 WeakPolarHBondContact O-CA 3.45Å; V20-V41 HydrophobicContact CG2-CG1 4.19Å; V41-V43 HydrophobicContact CG2-CG2 4.2Å; V41-V53 HydrophobicContact CG2-CG1 4.32Å; V41-V55 HydrophobicContact CG1-CG2 3.74Å; V41-A112 WeakPolarHBondContact O-CA 3.25Å; V41-Y113 WeakPolarHBondContact CG2-O 3.4Å; V41-Y113 PolarHBondContact N-O 2.92Å; V41-Y113 PolarHBondContact O-N 2.88Å; V41-F115 HydrophobicContact CG1-CD1 3.82Å; V41-F115 HydrophobicContact CG1-CE1 3.7Å; V41-A148 HydrophobicContact CG1-CB 4.28Å
42L93.3Very high87.1Confident45 Ų4559.4 Ų59.424%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-96.6128.3169.7-179.767000108.3T19 Y21 L108 H111T19-L42 PolarHBondContact N-O 3.39Å; T19-L42 PolarHBondContact O-N 3.19Å; Y21-L42 HydrophobicContact CD2-CB 4.46Å; Y21-L42 HydrophobicContact CE2-CB 3.74Å; Y21-L42 HydrophobicContact CE2-CD2 4.32Å; L42-L108 HydrophobicContact CD1-CB 4.42Å; L42-H111 HydrophobicContact CD1-CB 4.3Å
43V91.5Very high87.8Confident5 Ų553.2 Ų53.23%0.0326%0.256CS..EExtended strand (participates in β ladder)trans-126.3141.5-176.2-157.10000110.9L18 V41 P45 L48 V53 H111 Y113L18-V43 HydrophobicContact CD1-CG1 4.4Å; L18-V43 HydrophobicContact CD1-CG2 3.93Å; V41-V43 HydrophobicContact CG2-CG2 4.2Å; V43-P45 WeakPolarHBondContact O-CD 3.32Å; V43-L48 HydrophobicContact CB-CD1 3.73Å; V43-L48 HydrophobicContact CB-CG 4.48Å; V43-L48 HydrophobicContact CG1-CD1 3.25Å; V43-L48 HydrophobicContact CG1-CD2 3.82Å; V43-L48 HydrophobicContact CG1-CG 3.48Å; V43-L48 VanDerWaalsContact CG1-CG 3.48Å; V43-V53 HydrophobicContact CG1-CG2 3.95Å; V43-V53 HydrophobicContact CG2-CG2 3.95Å; V43-H111 PolarHBondContact N-O 2.78Å; V43-H111 VanDerWaalsContact O-CB 3.27Å; V43-H111 WeakPolarHBondContact O-CB 3.49Å; V43-Y113 HydrophobicContact CG2-CD2 4.16Å
44D89.4Confident88.2Confident38 Ų3848.6 Ų48.620%0.20323%0.231CC..  trans-81.7115.2171.8-172.8-28000110.6K17 E46 Y47 L48K17-D44 HydrophobicContact CB-CB 4.31Å; K17-D44 HydrophobicContact CD-CB 3.84Å; K17-D44 WeakPolarHBondContact CD-OD2 3.37Å; K17-D44 WeakPolarHBondContact CE-OD2 3.43Å; K17-D44 IonicContact NZ-OD2 3.17Å; K17-D44 PolarHBondContact NZ-OD2 2.77Å; K17-D44 PolarHBondContact O-N 3.28Å; K17-D44 VanDerWaalsContact O-N 3.07Å; D44-E46 VanDerWaalsContact C-N 3.31Å; D44-E46 PolarHBondContact O-N 3.17Å; D44-E46 WeakPolarHBondContact OD1-CB 3.18Å; D44-E46 PolarHBondContact OD1-N 3.32Å; D44-Y47 PolarHBondContact O-N 3.2Å; D44-L48 PolarHBondContact O-N 2.9Å
45P84.5Confident88.4Confident62 Ų6248 Ų4840%0.40323%0.227SC..Hα-helixtrans-65.2-31.3-177.629.8-38.3000113V43 Y47 L48V43-P45 WeakPolarHBondContact O-CD 3.32Å; P45-Y47 PolarHBondContact O-N 2.81Å; P45-L48 PolarHBondContact O-N 2.83Å
46E84.5Confident88.6Confident160 Ų16047.3 Ų47.375%0.74822%0.224SC*.Hα-helixtrans-66.1-29.9178.8-62.1-173.3167.800111.3D44D44-E46 VanDerWaalsContact C-N 3.31Å; D44-E46 PolarHBondContact O-N 3.17Å; D44-E46 WeakPolarHBondContact OD1-CB 3.18Å; D44-E46 PolarHBondContact OD1-N 3.32Å
47Y81.7Confident88.8Confident53 Ų5344.6 Ų44.621%0.20821%0.206CC..Hα-helixtrans-80.4-31.3176.9-171.8-106.6000112.3N15 K17 D44 P45 R51 N162N15-Y47 PolarHBondContact ND2-OH 2.96Å; K17-Y47 HydrophobicContact CB-CD1 3.77Å; K17-Y47 HydrophobicContact CB-CD2 4.42Å; K17-Y47 HydrophobicContact CB-CE1 4.28Å; K17-Y47 HydrophobicContact CB-CG 3.85Å; K17-Y47 HydrophobicContact CD-CG 4.37Å; K17-Y47 HydrophobicContact CG-CD1 4.18Å; K17-Y47 HydrophobicContact CG-CD2 3.91Å; K17-Y47 HydrophobicContact CG-CE2 4.4Å; K17-Y47 HydrophobicContact CG-CG 3.78Å; D44-Y47 PolarHBondContact O-N 3.2Å; P45-Y47 PolarHBondContact O-N 2.81Å; Y47-R51 VanDerWaalsContact CE2-NH2 3.31Å; Y47-R51 VanDerWaalsContact CZ-NH2 3.29Å; Y47-R51 PolarHBondContact O-NH2 3.21Å; Y47-R51 PolarHBondContact OH-NH1 2.98Å; Y47-N162 HydrophobicContact CE1-CB 4.24Å
48L76.1Confident88.7Confident7 Ų745.2 Ų45.24%0.03721%0.21CC..Hα-helixtrans-65.5-43.6-170.4-86.7164.2000113.6V43 D44 P45 E50 R51 V53 F87V43-L48 HydrophobicContact CB-CD1 3.73Å; V43-L48 HydrophobicContact CB-CG 4.48Å; V43-L48 HydrophobicContact CG1-CD1 3.25Å; V43-L48 HydrophobicContact CG1-CD2 3.82Å; V43-L48 HydrophobicContact CG1-CG 3.48Å; V43-L48 VanDerWaalsContact CG1-CG 3.48Å; D44-L48 PolarHBondContact O-N 2.9Å; P45-L48 PolarHBondContact O-N 2.83Å; L48-E50 PolarHBondContact O-N 3.11Å; L48-E50 VanDerWaalsContact O-N 3.09Å; L48-R51 WeakPolarHBondContact CD2-O 3.31Å; L48-R51 WeakPolarHBondContact O-CA 3.14Å; L48-R51 VanDerWaalsContact O-CB 3.27Å; L48-R51 WeakPolarHBondContact O-CB 3.34Å; L48-R51 PolarHBondContact O-N 2.87Å; L48-V53 HydrophobicContact CD2-CG2 3.59Å; L48-F87 HydrophobicContact CB-CE1 4.27Å; L48-F87 HydrophobicContact CD1-CD1 3.79Å; L48-F87 HydrophobicContact CD1-CE1 3.74Å; L48-F87 HydrophobicContact CD1-CG 4.24Å; L48-F87 HydrophobicContact CD1-CZ 4.16Å; L48-F87 HydrophobicContact CD2-CD1 3.81Å; L48-F87 HydrophobicContact CD2-CE1 4.09Å; L48-F87 HydrophobicContact CG-CD1 4.33Å; L48-F87 HydrophobicContact CG-CE1 4.26Å
49K82.2Confident88.7Confident184 Ų18444.1 Ų44.180%0.820%0.204SC*.THydrogen-bonded Turntrans44.6-116.1-175-61.1-173.8178.9-175.20111.1
50E79.7Confident88.5Confident179 Ų17944.1 Ų44.184%0.83621%0.205SC*.THydrogen-bonded Turntrans-964.6178-62.2-171.1167.800114.1L48L48-E50 PolarHBondContact O-N 3.11Å; L48-E50 VanDerWaalsContact O-N 3.09Å
51R84.9Confident88.1Confident60 Ų6044.1 Ų44.123%0.22621%0.205CC..  trans-83151.9-177-62.6-178.9-77.7-170.1-5.2111.8Y47 L48 E152Y47-R51 VanDerWaalsContact CE2-NH2 3.31Å; Y47-R51 VanDerWaalsContact CZ-NH2 3.29Å; Y47-R51 PolarHBondContact O-NH2 3.21Å; Y47-R51 PolarHBondContact OH-NH1 2.98Å; L48-R51 WeakPolarHBondContact CD2-O 3.31Å; L48-R51 WeakPolarHBondContact O-CA 3.14Å; L48-R51 VanDerWaalsContact O-CB 3.27Å; L48-R51 WeakPolarHBondContact O-CB 3.34Å; L48-R51 PolarHBondContact O-N 2.87Å; R51-E152 HydrophobicContact CG-CG 3.84Å
52R89.2Confident87.5Confident100 Ų10045.7 Ų45.738%0.37721%0.21SC..EExtended strand (participates in β ladder)trans-104.5155.8177.9-57.6180-179.3-169.48.5110.3Y54 F87 C150 A151R52-Y54 HydrophobicContact CB-CD2 4.39Å; R52-Y54 HydrophobicContact CB-CE2 3.66Å; R52-Y54 WeakPolarHBondContact CD-OH 3.47Å; R52-F87 CarbonylContact C-O 3.56Å; R52-F87 VanDerWaalsContact CA-O 3.24Å; R52-F87 WeakPolarHBondContact CA-O 3.5Å; R52-F87 WeakPolarHBondContact CB-O 3.34Å; R52-C150 CarbonylContact O-C 3.55Å; R52-C150 VanDerWaalsContact O-CA 3.26Å; R52-C150 WeakPolarHBondContact O-CA 3.26Å; R52-A151 WeakPolarHBondContact CA-O 3.38Å; R52-A151 WeakPolarHBondContact CB-O 3.47Å; R52-A151 PolarHBondContact N-O 3.04Å; R52-A151 PolarHBondContact O-N 3.17Å; R52-A151 VanDerWaalsContact O-O 3.06Å
53V90.5Very high86.6Confident0 Ų046.8 Ų46.80%021%0.212CC..EExtended strand (participates in β ladder)trans-110.2122.5172.6-175.70000109L18 V41 V43 L48 S86 F87 F149L18-V53 HydrophobicContact CD1-CG1 3.93Å; V41-V53 HydrophobicContact CG2-CG1 4.32Å; V43-V53 HydrophobicContact CG1-CG2 3.95Å; V43-V53 HydrophobicContact CG2-CG2 3.95Å; L48-V53 HydrophobicContact CD2-CG2 3.59Å; V53-S86 PolarHBondContact O-N 3.15Å; V53-F87 HydrophobicContact CB-CB 3.97Å; V53-F87 HydrophobicContact CG2-CB 4.06Å; V53-F87 PolarHBondContact N-O 3.11Å; V53-F87 PolarHBondContact O-N 2.83Å; V53-F149 WeakPolarHBondContact CA-O 3.27Å
54Y91.8Very high85.1Confident8 Ų847.8 Ų47.83%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-112142.9174.5-59.5-80.1000109.4R52 V84 Q85 A148 F149 A151 L154R52-Y54 HydrophobicContact CB-CD2 4.39Å; R52-Y54 HydrophobicContact CB-CE2 3.66Å; R52-Y54 WeakPolarHBondContact CD-OH 3.47Å; Y54-V84 WeakPolarHBondContact CA-O 3.42Å; Y54-Q85 HydrophobicContact CD1-CB 3.98Å; Y54-Q85 HydrophobicContact CD1-CG 4.08Å; Y54-Q85 HydrophobicContact CE1-CB 3.93Å; Y54-Q85 HydrophobicContact CE1-CG 3.78Å; Y54-A148 CarbonylContact O-C 3.51Å; Y54-A148 WeakPolarHBondContact O-CA 3.4Å; Y54-F149 HydrophobicContact CD2-CD2 4.47Å; Y54-F149 AromaticContact CD2-CE2 3.86Å; Y54-F149 HydrophobicContact CD2-CE2 3.86Å; Y54-F149 HydrophobicContact CD2-CZ 4.42Å; Y54-F149 HydrophobicContact CG-CE2 4.26Å; Y54-F149 HydrophobicContact CG-CZ 4.4Å; Y54-F149 PolarHBondContact N-O 3.41Å; Y54-F149 PolarHBondContact O-N 2.96Å; Y54-A151 HydrophobicContact CD2-CB 4.44Å; Y54-A151 HydrophobicContact CE2-CB 4.47Å; Y54-L154 HydrophobicContact CD1-CD2 3.59Å; Y54-L154 HydrophobicContact CD1-CG 4.13Å; Y54-L154 HydrophobicContact CD2-CD2 4.22Å; Y54-L154 HydrophobicContact CE1-CD1 4.22Å; Y54-L154 HydrophobicContact CE1-CD2 3.77Å; Y54-L154 HydrophobicContact CE1-CG 3.76Å; Y54-L154 HydrophobicContact CE2-CD2 4.37Å; Y54-L154 HydrophobicContact CE2-CG 4.34Å; Y54-L154 HydrophobicContact CG-CD2 3.81Å
55V93.1Very high83.4Confident0 Ų050.6 Ų50.60%023%0.231CC..EExtended strand (participates in β ladder)trans-117.4135.6167.7-169.10000107.2V41 N83 V84 S86 F115 F117 V146 K147 A148V41-V55 HydrophobicContact CG1-CG2 3.74Å; V55-N83 WeakPolarHBondContact O-CA 3.19Å; V55-V84 PolarHBondContact N-O 3.05Å; V55-V84 PolarHBondContact O-N 3.25Å; V55-S86 WeakPolarHBondContact CG2-OG 3.5Å; V55-F115 HydrophobicContact CB-CG 4.34Å; V55-F115 HydrophobicContact CG1-CD1 4.49Å; V55-F115 HydrophobicContact CG1-CD2 3.98Å; V55-F115 HydrophobicContact CG1-CE2 4.02Å; V55-F115 HydrophobicContact CG1-CG 4.22Å; V55-F115 HydrophobicContact CG1-CZ 4.28Å; V55-F115 HydrophobicContact CG2-CB 4.47Å; V55-F115 HydrophobicContact CG2-CD1 4.05Å; V55-F115 HydrophobicContact CG2-CG 4.17Å; V55-F117 HydrophobicContact CB-CE2 4.22Å; V55-F117 HydrophobicContact CB-CZ 4.05Å; V55-F117 HydrophobicContact CG1-CE2 3.65Å; V55-F117 HydrophobicContact CG1-CZ 3.9Å; V55-F117 WeakPolarHBondContact O-CZ 3.47Å; V55-V146 HydrophobicContact CG1-CG1 3.91Å; V55-K147 CarbonylContact C-O 3.5Å; V55-K147 WeakPolarHBondContact CA-O 3.5Å; V55-A148 HydrophobicContact CG1-CB 4.48Å; V55-A148 HydrophobicContact CG2-CB 4.07Å
56T92.8Very high81.5Confident12 Ų1253 Ų537%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-129129.5-177.8650000109.4A82 N83 V146 K147 F149T56-A82 CarbonylContact C-O 3.59Å; T56-A82 VanDerWaalsContact CA-O 3.25Å; T56-A82 WeakPolarHBondContact CA-O 3.48Å; T56-N83 WeakPolarHBondContact CB-OD1 3.45Å; T56-N83 HydrophobicContact CG2-CB 4.29Å; T56-N83 WeakPolarHBondContact CG2-OD1 3.46Å; T56-V146 WeakPolarHBondContact O-CA 3.16Å; T56-K147 PolarHBondContact N-O 3.02Å; T56-K147 PolarHBondContact O-N 3.5Å; T56-K147 PolarHBondContact OG1-O 3.42Å; T56-F149 HydrophobicContact CG2-CE1 3.57Å; T56-F149 HydrophobicContact CG2-CZ 4.11Å
57L94.3Very high79.5Confident0 Ų051.3 Ų51.30%023%0.233CC..EExtended strand (participates in β ladder)trans-100.3117.9168.8177.662.3000108.6V37 F80 V81 A82 F117 I119 Y144 E145 V146 I168V37-L57 HydrophobicContact CG2-CD2 4.36Å; L57-F80 HydrophobicContact CD2-CE1 4.35Å; L57-V81 WeakPolarHBondContact O-CA 3.46Å; L57-A82 PolarHBondContact N-O 2.89Å; L57-A82 PolarHBondContact O-N 2.83Å; L57-F117 HydrophobicContact CB-CB 4.32Å; L57-F117 HydrophobicContact CB-CD1 3.79Å; L57-F117 HydrophobicContact CB-CD2 3.93Å; L57-F117 HydrophobicContact CB-CE1 4.02Å; L57-F117 HydrophobicContact CB-CE2 4.16Å; L57-F117 HydrophobicContact CB-CG 3.74Å; L57-F117 HydrophobicContact CB-CZ 4.21Å; L57-F117 HydrophobicContact CD2-CB 3.58Å; L57-F117 HydrophobicContact CD2-CD1 4.49Å; L57-F117 HydrophobicContact CD2-CD2 4.47Å; L57-F117 HydrophobicContact CD2-CG 3.96Å; L57-F117 HydrophobicContact CG-CG 4.5Å; L57-I119 HydrophobicContact CD2-CD1 4.2Å; L57-I119 HydrophobicContact CD2-CG1 3.7Å; L57-Y144 HydrophobicContact CD1-CD1 4.49Å; L57-E145 CarbonylContact C-O 3.58Å; L57-E145 WeakPolarHBondContact CA-O 3.22Å; L57-V146 HydrophobicContact CD1-CG2 3.89Å; L57-I168 HydrophobicContact CD1-CD1 3.89Å
58T91.7Very high77.5Confident13 Ų1352.7 Ų52.78%0.0824%0.243CC..EExtended strand (participates in β ladder)trans-119.2122.9179.9-54.40000110.1A60 D78 F80 V81 Y144 E145T58-A60 HydrophobicContact CG2-CB 4.24Å; T58-D78 HydrophobicContact CG2-CB 4.49Å; T58-F80 CarbonylContact C-O 3.58Å; T58-F80 WeakPolarHBondContact CA-O 3.24Å; T58-V81 HydrophobicContact CG2-CG2 4.23Å; T58-Y144 WeakPolarHBondContact O-CA 3.41Å; T58-E145 PolarHBondContact N-O 2.79Å; T58-E145 PolarHBondContact O-N 2.91Å
59C91.3Very high75.9Confident0 Ų060 Ų600%028%0.283CS..EExtended strand (participates in β ladder)trans-97.4117.5163.7-179.10000107.7L79 F80 D143 Y144C59-L79 HydrophobicContact CB-CB 4.49Å; C59-L79 PolarHBondContact O-N 2.8Å; C59-F80 HydrophobicContact CB-CB 3.91Å; C59-F80 PolarHBondContact N-O 3.27Å; C59-F80 PolarHBondContact O-N 2.9Å; C59-D143 WeakPolarHBondContact CA-O 3.48Å; C59-Y144 HydrophobicContact CB-CD1 3.98Å; C59-Y144 HydrophobicContact CB-CE1 3.72Å; C59-Y144 VanDerWaalsContact SG-CZ 3.54Å
60A88.1Confident73.8Confident1 Ų157.8 Ų57.81%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-129.3136.1-178.700000111.3T58 R76 K77 D78 D143T58-A60 HydrophobicContact CG2-CB 4.24Å; A60-R76 HydrophobicContact CB-CG 4.34Å; A60-K77 WeakPolarHBondContact CA-O 3.34Å; A60-D78 WeakPolarHBondContact CB-OD1 3.44Å; A60-D143 PolarHBondContact N-O 2.91Å; A60-D143 PolarHBondContact O-N 2.9Å
61F86.2Confident72.2Confident0 Ų057.6 Ų57.60%029%0.288CS..EExtended strand (participates in β ladder)trans-85.6127164-178.8-90.7000109.1F75 R76 K77 L79 G141 V142 I241 L243 I317F61-F75 HydrophobicContact CD1-CD1 4.15Å; F61-F75 HydrophobicContact CD1-CE1 4.18Å; F61-F75 HydrophobicContact CE1-CD1 4.39Å; F61-R76 WeakPolarHBondContact O-CA 3.24Å; F61-K77 PolarHBondContact N-O 3.07Å; F61-K77 PolarHBondContact O-N 2.63Å; F61-L79 HydrophobicContact CB-CD1 4.26Å; F61-L79 HydrophobicContact CB-CG 4.38Å; F61-G141 CarbonylContact C-O 3.5Å; F61-G141 WeakPolarHBondContact CA-O 3.42Å; F61-V142 HydrophobicContact CD2-CG2 3.92Å; F61-I241 HydrophobicContact CZ-CG2 3.96Å; F61-L243 HydrophobicContact CB-CD2 3.7Å; F61-L243 HydrophobicContact CD1-CB 4.27Å; F61-L243 HydrophobicContact CD1-CD2 3.41Å; F61-L243 VanDerWaalsContact CD1-CD2 3.41Å; F61-L243 HydrophobicContact CD1-CG 4.44Å; F61-L243 HydrophobicContact CD2-CD2 4.2Å; F61-L243 HydrophobicContact CE1-CB 4.03Å; F61-L243 HydrophobicContact CE1-CD2 4.02Å; F61-L243 HydrophobicContact CE2-CB 4.42Å; F61-L243 HydrophobicContact CG-CD2 3.5Å; F61-L243 VanDerWaalsContact CG-CD2 3.5Å; F61-L243 HydrophobicContact CZ-CB 4.12Å; F61-I317 HydrophobicContact CE2-CD1 4.21Å; F61-I317 HydrophobicContact CE2-CG1 3.75Å
62R81.1Confident70.5Confident32 Ų3256 Ų5612%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-118.8137.7179.3-66.5-177.2179.7140.413.9110.7F75 R76 C140 G141 D143 E145R62-F75 CarbonylContact C-O 3.5Å; R62-F75 WeakPolarHBondContact CA-O 3.14Å; R62-R76 HydrophobicContact CG-CG 4.49Å; R62-C140 CarbonylContact O-C 3.5Å; R62-C140 VanDerWaalsContact O-CA 3.28Å; R62-C140 WeakPolarHBondContact O-CA 3.19Å; R62-G141 PolarHBondContact N-O 3.3Å; R62-G141 PolarHBondContact O-N 3.08Å; R62-D143 IonicContact CZ-OD2 3.8Å; R62-D143 IonicContact NH1-OD2 3.61Å; R62-D143 PolarHBondContact NH1-OD2 2.81Å; R62-E145 IonicContact NH2-OE1 2.79Å; R62-E145 PolarHBondContact NH2-OE1 3.41Å
63Y73.5Confident68.7Low68 Ų6857.6 Ų57.627%0.26731%0.305SS..EExtended strand (participates in β ladder)trans-146129.3176.9-178.5-84.3000109.3F75 C140Y63-F75 PolarHBondContact N-O 3.09Å; Y63-F75 PolarHBondContact O-N 3.25Å; Y63-C140 HydrophobicContact CD2-CB 4.16Å
64G59.8Low67.3Low26 Ų2661.3 Ų61.327%0.26833%0.328SS..EExtended strand (participates in β ladder)trans103.6-176171.500000116.4
65R55.1Low66.2Low98 Ų9863.6 Ų63.637%0.3734%0.338SS..  trans-103113-164.8-171-177.7-163.8-173.60.2111.3D67 T74 T136R65-D67 PolarHBondContact O-N 3.02Å; R65-T74 WeakPolarHBondContact O-CG2 3.46Å; R65-T136 PolarHBondContact NE-O 3.05Å; R65-T136 VanDerWaalsContact NE-O 3.16Å; R65-T136 PolarHBondContact NH2-OG1 2.76Å; R65-T136 VanDerWaalsContact NH2-OG1 3.09Å
66E44.5Very low65.6Low112 Ų11269.7 Ų69.752%0.52336%0.361SS..THydrogen-bonded Turntrans-62.2-21.3-177.5-92.8179.9-153.200114.9L68 K138E66-L68 PolarHBondContact O-N 3.03Å; E66-K138 VanDerWaalsContact CD-CE 3.45Å; E66-K138 HydrophobicContact CG-CD 4.28Å; E66-K138 IonicContact OE1-NZ 2.99Å; E66-K138 PolarHBondContact OE1-NZ 2.71Å; E66-K138 WeakPolarHBondContact OE2-CE 3.44Å; E66-K138 IonicContact OE2-NZ 2.71Å; E66-K138 PolarHBondContact OE2-NZ 2.99Å
67D41.7Very low65.2Low124 Ų12473.6 Ų73.666%0.66338%0.377SS*.THydrogen-bonded Turntrans-9312.2-167.9-60.4-12.9000115.6R65R65-D67 PolarHBondContact O-N 3.02Å
68L40.7Very low64.9Low82 Ų8277.4 Ų77.443%0.42940%0.397SS..  trans-125.667.9-179.6-81.4173.2000112.5E66 V70E66-L68 PolarHBondContact O-N 3.03Å; L68-V70 PolarHBondContact O-N 2.95Å
69D40.9Very low64.6Low162 Ų16278.4 Ų78.487%0.86640%0.402SS*.THydrogen-bonded Turntrans-6396.3148.7-92.2-19.9000107.4
70V38.3Very low64.6Low136 Ų13680.7 Ų80.782%0.82441%0.412SS*.THydrogen-bonded Turntrans173.2-19.6137.9158.60000111L68L68-V70 PolarHBondContact O-N 2.95Å
71L47.6Very low64.8Low176 Ų17684 Ų8492%0.92143%0.432SS*.THydrogen-bonded Turntrans-162.121.6173.5-102.4162000115.6
72G48Very low65Low25 Ų2585.1 Ų85.126%0.25844%0.442SS..  trans-120.7114.2179.800000112.7T74G72-T74 PolarHBondContact O-N 3.3Å
73L52Low65.5Low134 Ų13487.9 Ų87.970%0.70246%0.459SS*.  trans-70.898.9-170.1-63.5166.2000112.4
74T60.7Low66.3Low78 Ų7886 Ų8648%0.47945%0.454SS..  trans-76.1121.4157.351.80000109R65 G72R65-T74 WeakPolarHBondContact O-CG2 3.46Å; G72-T74 PolarHBondContact O-N 3.3Å
75F68.4Low67.7Low56 Ų5686.7 Ų86.725%0.24645%0.45CS..EExtended strand (participates in β ladder)trans-115.6119.6174.5-177.3-91.3000109.4F61 R62 Y63 K77 L243 F244F61-F75 HydrophobicContact CD1-CD1 4.15Å; F61-F75 HydrophobicContact CD1-CE1 4.18Å; F61-F75 HydrophobicContact CE1-CD1 4.39Å; R62-F75 CarbonylContact C-O 3.5Å; R62-F75 WeakPolarHBondContact CA-O 3.14Å; Y63-F75 PolarHBondContact N-O 3.09Å; Y63-F75 PolarHBondContact O-N 3.25Å; F75-K77 HydrophobicContact CD1-CB 4.46Å; F75-K77 HydrophobicContact CE1-CB 3.48Å; F75-K77 VanDerWaalsContact CE1-CB 3.48Å; F75-K77 HydrophobicContact CE1-CD 4.42Å; F75-K77 HydrophobicContact CZ-CB 3.68Å; F75-K77 HydrophobicContact CZ-CD 4.06Å; F75-K77 HydrophobicContact CZ-CG 4.46Å; F75-L243 HydrophobicContact CE1-CD2 4.04Å; F75-F244 HydrophobicContact CD1-CB 4.45Å; F75-F244 AromaticContact CD2-CD2 3.99Å; F75-F244 HydrophobicContact CD2-CD2 3.99Å; F75-F244 HydrophobicContact CD2-CE2 4.29Å; F75-F244 HydrophobicContact CD2-CG 4.35Å; F75-F244 HydrophobicContact CE1-CB 4.31Å; F75-F244 AromaticContact CE2-CD2 3.93Å; F75-F244 HydrophobicContact CE2-CD2 3.93Å; F75-F244 HydrophobicContact CE2-CE2 4.49Å; F75-F244 HydrophobicContact CE2-CG 4.47Å; F75-F244 HydrophobicContact CG-CG 4.47Å; F75-F244 HydrophobicContact CZ-CB 4.39Å; F75-F244 HydrophobicContact CZ-CD2 4.45Å
76R81.1Confident69.2Low129 Ų12982.2 Ų82.249%0.48743%0.434SS..EExtended strand (participates in β ladder)trans-123.9121.8170.6177.2-178.8167.8171.4-4.8107.6A60 F61 R62 D78A60-R76 HydrophobicContact CB-CG 4.34Å; F61-R76 WeakPolarHBondContact O-CA 3.24Å; R62-R76 HydrophobicContact CG-CG 4.49Å; R76-D78 IonicContact CZ-OD1 3.76Å; R76-D78 IonicContact NE-OD1 3.69Å; R76-D78 PolarHBondContact NE-OD1 3.21Å; R76-D78 IonicContact NH2-OD1 2.86Å; R76-D78 PolarHBondContact NH2-OD1 2.69Å; R76-D78 IonicContact NH2-OD2 2.76Å
77K84.8Confident71.2Confident94 Ų9478.9 Ų78.941%0.40942%0.418SS..EExtended strand (participates in β ladder)trans-118.4114.7171.4179.6161.8171.2-173.60108.7A60 F61 F75 L79 L243A60-K77 WeakPolarHBondContact CA-O 3.34Å; F61-K77 PolarHBondContact N-O 3.07Å; F61-K77 PolarHBondContact O-N 2.63Å; F75-K77 HydrophobicContact CD1-CB 4.46Å; F75-K77 HydrophobicContact CE1-CB 3.48Å; F75-K77 VanDerWaalsContact CE1-CB 3.48Å; F75-K77 HydrophobicContact CE1-CD 4.42Å; F75-K77 HydrophobicContact CZ-CB 3.68Å; F75-K77 HydrophobicContact CZ-CD 4.06Å; F75-K77 HydrophobicContact CZ-CG 4.46Å; K77-L79 HydrophobicContact CG-CD2 4.3Å; K77-L79 PolarHBondContact O-N 2.83Å; K77-L243 HydrophobicContact CB-CD2 4.14Å; K77-L243 HydrophobicContact CD-CD2 3.97Å; K77-L243 HydrophobicContact CD-CG 4.49Å; K77-L243 HydrophobicContact CG-CD2 4.4Å
78D87.1Confident73.1Confident79 Ų7975.8 Ų75.842%0.42240%0.404SS..EExtended strand (participates in β ladder)trans-73.1114.2172.5-63-27.6000107.5T58 A60 R76 V81T58-D78 HydrophobicContact CG2-CB 4.49Å; A60-D78 WeakPolarHBondContact CB-OD1 3.44Å; R76-D78 IonicContact CZ-OD1 3.76Å; R76-D78 IonicContact NE-OD1 3.69Å; R76-D78 PolarHBondContact NE-OD1 3.21Å; R76-D78 IonicContact NH2-OD1 2.86Å; R76-D78 PolarHBondContact NH2-OD1 2.69Å; R76-D78 IonicContact NH2-OD2 2.76Å; D78-V81 HydrophobicContact CB-CG2 4.01Å
79L86.8Confident75Confident35 Ų3575.7 Ų75.718%0.18341%0.409CS..EExtended strand (participates in β ladder)trans-82.9-31.4179.4-59.8177.1000111C59 F61 K77 L123 P124 L243C59-L79 HydrophobicContact CB-CB 4.49Å; C59-L79 PolarHBondContact O-N 2.8Å; F61-L79 HydrophobicContact CB-CD1 4.26Å; F61-L79 HydrophobicContact CB-CG 4.38Å; K77-L79 HydrophobicContact CG-CD2 4.3Å; K77-L79 PolarHBondContact O-N 2.83Å; L79-L123 HydrophobicContact CB-CD2 4.48Å; L79-P124 HydrophobicContact CD1-CG 3.66Å; L79-L243 HydrophobicContact CD2-CD2 4.47Å
80F90.3Very high76.6Confident47 Ų4769.1 Ų69.121%0.20638%0.377CS..EExtended strand (participates in β ladder)trans-153.8140.2178.8176.4-103.7000110.6L57 T58 C59 A82 P120 L123L57-F80 HydrophobicContact CD2-CE1 4.35Å; T58-F80 CarbonylContact C-O 3.58Å; T58-F80 WeakPolarHBondContact CA-O 3.24Å; C59-F80 HydrophobicContact CB-CB 3.91Å; C59-F80 PolarHBondContact N-O 3.27Å; C59-F80 PolarHBondContact O-N 2.9Å; F80-A82 HydrophobicContact CE1-CB 3.68Å; F80-A82 HydrophobicContact CZ-CB 3.67Å; F80-P120 HydrophobicContact CD2-CG 4.06Å; F80-P120 HydrophobicContact CE2-CG 3.61Å; F80-P120 HydrophobicContact CZ-CG 4Å; F80-L123 HydrophobicContact CB-CD1 3.51Å; F80-L123 HydrophobicContact CB-CD2 3.84Å; F80-L123 HydrophobicContact CB-CG 4.34Å; F80-L123 HydrophobicContact CD1-CD1 3.87Å; F80-L123 HydrophobicContact CD2-CD1 4.13Å; F80-L123 HydrophobicContact CG-CD1 3.59Å
81V91.8Very high78.1Confident71 Ų7168.1 Ų68.143%0.4337%0.373SS..EExtended strand (participates in β ladder)trans-137.9125.4173.7-176.10000107.9L57 T58 D78L57-V81 WeakPolarHBondContact O-CA 3.46Å; T58-V81 HydrophobicContact CG2-CG2 4.23Å; D78-V81 HydrophobicContact CB-CG2 4.01Å
82A91.9Very high78.9Confident24 Ų2468.6 Ų68.620%0.19837%0.371CS..EExtended strand (participates in β ladder)trans-124.5137.2169.200000109.2T56 L57 F80 F117T56-A82 CarbonylContact C-O 3.59Å; T56-A82 VanDerWaalsContact CA-O 3.25Å; T56-A82 WeakPolarHBondContact CA-O 3.48Å; L57-A82 PolarHBondContact N-O 2.89Å; L57-A82 PolarHBondContact O-N 2.83Å; F80-A82 HydrophobicContact CE1-CB 3.68Å; F80-A82 HydrophobicContact CZ-CB 3.67Å; A82-F117 HydrophobicContact CB-CD1 3.72Å; A82-F117 HydrophobicContact CB-CE1 3.97Å; A82-F117 WeakPolarHBondContact O-CE1 3.33Å
83N91Very high79.6Confident90 Ų9071.7 Ų71.748%0.48138%0.381SS..EExtended strand (participates in β ladder)trans-123.4137.5-178.1-55-40.7000108.8V55 T56V55-N83 WeakPolarHBondContact O-CA 3.19Å; T56-N83 WeakPolarHBondContact CB-OD1 3.45Å; T56-N83 HydrophobicContact CG2-CB 4.29Å; T56-N83 WeakPolarHBondContact CG2-OD1 3.46Å
84V90.1Very high80.3Confident27 Ų2773.5 Ų73.516%0.16438%0.384CS..EExtended strand (participates in β ladder)trans-130.8133.4175.1170.60000108.3Y54 V55 S86 F115 F117Y54-V84 WeakPolarHBondContact CA-O 3.42Å; V55-V84 PolarHBondContact N-O 3.05Å; V55-V84 PolarHBondContact O-N 3.25Å; V84-S86 PolarHBondContact O-N 2.94Å; V84-F115 HydrophobicContact CG1-CB 4.26Å; V84-F117 HydrophobicContact CB-CE1 4.09Å; V84-F117 HydrophobicContact CB-CZ 4.06Å; V84-F117 HydrophobicContact CG2-CD1 4.09Å; V84-F117 HydrophobicContact CG2-CE1 3.52Å; V84-F117 HydrophobicContact CG2-CZ 3.94Å
85Q89.1Confident80.9Confident41 Ų4174.3 Ų74.319%0.19238%0.38CS..EExtended strand (participates in β ladder)trans-88.4104172.1-172.7-178-59.300109.2Y54 P88Y54-Q85 HydrophobicContact CD1-CB 3.98Å; Y54-Q85 HydrophobicContact CD1-CG 4.08Å; Y54-Q85 HydrophobicContact CE1-CB 3.93Å; Y54-Q85 HydrophobicContact CE1-CG 3.78Å; Q85-P88 PolarHBondContact NE2-O 2.92Å
86S86.4Confident81.6Confident4 Ų477.3 Ų77.33%0.02841%0.406CS..EExtended strand (participates in β ladder)trans-78.1-34.4178.5-64.10000112.5V53 V55 V84V53-S86 PolarHBondContact O-N 3.15Å; V55-S86 WeakPolarHBondContact CG2-OG 3.5Å; V84-S86 PolarHBondContact O-N 2.94Å
87F86.2Confident81.8Confident43 Ų4374.8 Ų74.819%0.18940%0.401CS..EExtended strand (participates in β ladder)trans-141135.2177.9-178.8-94.7000112.1L48 R52 V53 Y113L48-F87 HydrophobicContact CB-CE1 4.27Å; L48-F87 HydrophobicContact CD1-CD1 3.79Å; L48-F87 HydrophobicContact CD1-CE1 3.74Å; L48-F87 HydrophobicContact CD1-CG 4.24Å; L48-F87 HydrophobicContact CD1-CZ 4.16Å; L48-F87 HydrophobicContact CD2-CD1 3.81Å; L48-F87 HydrophobicContact CD2-CE1 4.09Å; L48-F87 HydrophobicContact CG-CD1 4.33Å; L48-F87 HydrophobicContact CG-CE1 4.26Å; R52-F87 CarbonylContact C-O 3.56Å; R52-F87 VanDerWaalsContact CA-O 3.24Å; R52-F87 WeakPolarHBondContact CA-O 3.5Å; R52-F87 WeakPolarHBondContact CB-O 3.34Å; V53-F87 HydrophobicContact CB-CB 3.97Å; V53-F87 HydrophobicContact CG2-CB 4.06Å; V53-F87 PolarHBondContact N-O 3.11Å; V53-F87 PolarHBondContact O-N 2.83Å; F87-Y113 HydrophobicContact CB-CD2 4.44Å; F87-Y113 HydrophobicContact CD2-CD1 4.33Å; F87-Y113 HydrophobicContact CD2-CD2 4.31Å; F87-Y113 AromaticContact CD2-CE1 3.7Å; F87-Y113 HydrophobicContact CD2-CE1 3.7Å; F87-Y113 AromaticContact CD2-CE2 3.68Å; F87-Y113 HydrophobicContact CD2-CE2 3.68Å; F87-Y113 AromaticContact CD2-CZ 3.34Å; F87-Y113 WeakPolarHBondContact CD2-OH 3.15Å; F87-Y113 HydrophobicContact CE2-CE1 4.31Å; F87-Y113 HydrophobicContact CE2-CE2 4.29Å; F87-Y113 AromaticContact CE2-CZ 3.75Å; F87-Y113 VanDerWaalsContact CE2-OH 3.3Å; F87-Y113 WeakPolarHBondContact CE2-OH 3.46Å; F87-Y113 HydrophobicContact CG-CE2 4.41Å
88P83Confident81.9Confident58 Ų5872.1 Ų72.138%0.37739%0.393SS..THydrogen-bonded Turncis-60.2148.1-14.3-23.434000111.8Q85 A90Q85-P88 PolarHBondContact NE2-O 2.92Å; P88-A90 PolarHBondContact O-N 2.82Å; P88-A90 VanDerWaalsContact O-N 3.11Å
89P79Confident82Confident80 Ų8077.3 Ų77.352%0.51941%0.407SS..THydrogen-bonded Turntrans-65.7112-179.325.7-32.8000110.2Y113P89-Y113 HydrophobicContact CG-CE1 4.44Å
90A76.1Confident82Confident25 Ų2577 Ų7721%0.20741%0.405CS..  trans-71.4137.3176.900000110.2P88 E92 D93P88-A90 PolarHBondContact O-N 2.82Å; P88-A90 VanDerWaalsContact O-N 3.11Å; A90-E92 PolarHBondContact O-N 3.09Å; A90-D93 HydrophobicContact CB-CB 4.47Å; A90-D93 PolarHBondContact O-N 2.71Å
91P68.9Low82Confident115 Ų11574.8 Ų74.875%0.74740%0.396SS*.G310 helixtrans-65.3-25.2179.723.9-31.4000113.1
92E64.3Low81.9Confident186 Ų18676.5 Ų76.587%0.86940%0.399SS*.G310 helixtrans-75.1-23179.9-62.5-178.4178.700113.1A90A90-E92 PolarHBondContact O-N 3.09Å
93D63.3Low81.8Confident89 Ų8980.4 Ų80.448%0.47641%0.408SS..G310 helixtrans-99.811.7-174.8-72.7-34.2000113.8A90 K95A90-D93 HydrophobicContact CB-CB 4.47Å; A90-D93 PolarHBondContact O-N 2.71Å; D93-K95 VanDerWaalsContact C-N 3.32Å; D93-K95 PolarHBondContact O-N 3.49Å
94K65.7Low81.7Confident172 Ų17276.1 Ų76.175%0.74839%0.386SS*.  trans-72.983.7178.7-85.7-171175.7-178.40111.6
95K74.3Confident81.7Confident95 Ų9576.9 Ų76.941%0.41339%0.389SS..PPolyproline II helixtrans-73.8152.4165-69.2-169.7177.7-169.30111D93 L97 E118D93-K95 VanDerWaalsContact C-N 3.32Å; D93-K95 PolarHBondContact O-N 3.49Å; K95-L97 PolarHBondContact O-N 2.83Å; K95-E118 IonicContact NZ-OE1 3.93Å; K95-E118 PolarHBondContact NZ-OE1 2.84Å
96P82.3Confident81.8Confident120 Ų12083.4 Ų83.478%0.77942%0.416SS*.PPolyproline II helixtrans-58.1135.8169.924.5-32.9000110
97L85.8Confident82Confident75 Ų7587.5 Ų87.539%0.39343%0.433SS..PPolyproline II helixtrans-73.2143.9-178.7-60.3179.9000110.6K95 Q101 E102 I105 P114K95-L97 PolarHBondContact O-N 2.83Å; L97-Q101 HydrophobicContact CB-CB 4.45Å; L97-E102 HydrophobicContact CB-CG 3.87Å; L97-E102 HydrophobicContact CD1-CG 4.24Å; L97-I105 HydrophobicContact CD1-CD1 4.23Å; L97-P114 HydrophobicContact CD2-CB 3.76Å; L97-P114 HydrophobicContact CD2-CG 3.5Å
98T87.8Confident82.1Confident39 Ų3987.1 Ų87.124%0.23943%0.433CS..PPolyproline II helixtrans-77.8154.4169.174.70000109.9D38 L100 Q101 E102D38-T98 HydrophobicContact CB-CG2 3.86Å; D38-T98 WeakPolarHBondContact OD2-CB 3.33Å; D38-T98 PolarHBondContact OD2-OG1 2.82Å; T98-L100 PolarHBondContact O-N 2.88Å; T98-L100 VanDerWaalsContact O-N 3.12Å; T98-Q101 WeakPolarHBondContact O-CB 3.49Å; T98-Q101 PolarHBondContact O-N 2.81Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.07Å; T98-Q101 PolarHBondContact OG1-N 3.44Å; T98-E102 PolarHBondContact O-N 2.94Å
99R87.8Confident82.4Confident187 Ų18786 Ų8671%0.70643%0.432SS*.Hα-helixtrans-53.7-33.6173.6-66.2-176.7-179.9175.7-0.1112.1R103R99-R103 VanDerWaalsContact O-CG 3.25Å; R99-R103 WeakPolarHBondContact O-CG 3.4Å; R99-R103 PolarHBondContact O-N 2.87Å
100L87.9Confident82.7Confident29 Ų2989.7 Ų89.715%0.15244%0.442CS..Hα-helixtrans-67.2-45.5176177.765.2000111.5T6 V8 T98 R103 L104T6-L100 HydrophobicContact CG2-CD1 4.36Å; V8-L100 HydrophobicContact CG2-CD1 3.85Å; T98-L100 PolarHBondContact O-N 2.88Å; T98-L100 VanDerWaalsContact O-N 3.12Å; L100-R103 PolarHBondContact O-N 3.11Å; L100-L104 HydrophobicContact CD1-CD1 4.06Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CD2-CD1 4.49Å; L100-L104 HydrophobicContact CG-CD1 3.92Å; L100-L104 HydrophobicContact CG-CG 4.44Å; L100-L104 WeakPolarHBondContact O-CB 3.27Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 2.88Å
101Q90.1Very high83.4Confident1 Ų191.4 Ų91.41%0.00545%0.446CS..Hα-helixtrans-62.3-44.9177.9-72.6169.5-23.600111.6G39 V40 L97 T98 R103 L104 I105 P114 F115 T116G39-Q101 PolarHBondContact O-NE2 2.9Å; V40-Q101 HydrophobicContact CG2-CB 4.24Å; V40-Q101 HydrophobicContact CG2-CG 4.03Å; L97-Q101 HydrophobicContact CB-CB 4.45Å; T98-Q101 WeakPolarHBondContact O-CB 3.49Å; T98-Q101 PolarHBondContact O-N 2.81Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.07Å; T98-Q101 PolarHBondContact OG1-N 3.44Å; Q101-R103 VanDerWaalsContact C-N 3.34Å; Q101-R103 PolarHBondContact O-N 2.77Å; Q101-L104 PolarHBondContact O-N 3.05Å; Q101-I105 WeakPolarHBondContact O-CB 3.37Å; Q101-I105 WeakPolarHBondContact O-CD1 3.5Å; Q101-I105 WeakPolarHBondContact O-CG1 3.41Å; Q101-I105 PolarHBondContact O-N 3.27Å; Q101-P114 HydrophobicContact CB-CB 4.39Å; Q101-P114 HydrophobicContact CG-CB 4.21Å; Q101-F115 PolarHBondContact NE2-O 2.84Å; Q101-T116 PolarHBondContact NE2-OG1 2.99Å
102E89.8Confident84.5Confident107 Ų10786.2 Ų86.250%0.541%0.412SS..Hα-helixtrans-57-47.8176.7-68.5175.5164.100111.6L97 T98 I105 K106L97-E102 HydrophobicContact CB-CG 3.87Å; L97-E102 HydrophobicContact CD1-CG 4.24Å; T98-E102 PolarHBondContact O-N 2.94Å; E102-I105 PolarHBondContact O-N 2.56Å; E102-K106 WeakPolarHBondContact O-CB 3.45Å; E102-K106 PolarHBondContact O-N 3.17Å
103R89.2Confident85.8Confident105 Ų10579.4 Ų79.440%0.39638%0.379SS..Hα-helixtrans-64.5-41.2177.6-70.4175.5172.6-171-5.9112.4R99 L100 Q101 K106 K107 D383 I386R99-R103 VanDerWaalsContact O-CG 3.25Å; R99-R103 WeakPolarHBondContact O-CG 3.4Å; R99-R103 PolarHBondContact O-N 2.87Å; L100-R103 PolarHBondContact O-N 3.11Å; Q101-R103 VanDerWaalsContact C-N 3.34Å; Q101-R103 PolarHBondContact O-N 2.77Å; R103-K106 PolarHBondContact O-N 3.19Å; R103-K107 WeakPolarHBondContact O-CB 3.39Å; R103-K107 PolarHBondContact O-N 2.82Å; R103-D383 IonicContact CZ-OD1 3.57Å; R103-D383 IonicContact NE-OD1 3.04Å; R103-D383 IonicContact NH2-OD1 2.65Å; R103-D383 PolarHBondContact NH2-OD1 2.9Å; R103-I386 HydrophobicContact CB-CD1 3.95Å
104L88.8Confident87.2Confident0 Ų077.3 Ų77.30%037%0.37CS..Hα-helixtrans-66.9-41.2178-78.1174.2000112.2V8 V40 L100 Q101 K107 L108 I386 F388V8-L104 HydrophobicContact CG1-CD1 4.17Å; V8-L104 HydrophobicContact CG1-CD2 4.02Å; V8-L104 HydrophobicContact CG2-CD2 4.22Å; V40-L104 HydrophobicContact CB-CB 4.37Å; V40-L104 HydrophobicContact CB-CD1 4.33Å; V40-L104 HydrophobicContact CG2-CB 3.82Å; V40-L104 HydrophobicContact CG2-CD1 3.96Å; L100-L104 HydrophobicContact CD1-CD1 4.06Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CD2-CD1 4.49Å; L100-L104 HydrophobicContact CG-CD1 3.92Å; L100-L104 HydrophobicContact CG-CG 4.44Å; L100-L104 WeakPolarHBondContact O-CB 3.27Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 2.88Å; Q101-L104 PolarHBondContact O-N 3.05Å; L104-K107 PolarHBondContact O-N 3.24Å; L104-L108 HydrophobicContact CB-CD1 4.39Å; L104-L108 HydrophobicContact CD2-CD1 4.4Å; L104-L108 WeakPolarHBondContact O-CB 3.39Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 3.33Å; L104-I386 HydrophobicContact CD2-CD1 4.27Å; L104-I386 HydrophobicContact CD2-CG2 4.4Å; L104-F388 HydrophobicContact CD2-CE1 3.8Å; L104-F388 HydrophobicContact CD2-CZ 4.33Å
105I90.8Very high88.5Confident44 Ų4469.3 Ų69.323%0.22634%0.335CS..Hα-helixtrans-64.5-44.4176.6-66.8163.2000109.8V40 L97 Q101 E102 K107 L108 G109 A112 P114V40-I105 HydrophobicContact CG1-CG1 4.44Å; V40-I105 HydrophobicContact CG2-CG1 4.41Å; L97-I105 HydrophobicContact CD1-CD1 4.23Å; Q101-I105 WeakPolarHBondContact O-CB 3.37Å; Q101-I105 WeakPolarHBondContact O-CD1 3.5Å; Q101-I105 WeakPolarHBondContact O-CG1 3.41Å; Q101-I105 PolarHBondContact O-N 3.27Å; E102-I105 PolarHBondContact O-N 2.56Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 3.4Å; I105-L108 PolarHBondContact O-N 2.7Å; I105-G109 PolarHBondContact O-N 2.75Å; I105-A112 HydrophobicContact CB-CB 4.49Å; I105-A112 HydrophobicContact CG1-CB 4.18Å; I105-P114 HydrophobicContact CD1-CB 4.26Å; I105-P114 HydrophobicContact CD1-CG 4.13Å
106K90.1Very high89.3Confident178 Ų17865.8 Ų65.877%0.77432%0.322SS*.Hα-helixtrans-58.5-39.1175.1-170.2-179.5178.3-172.60112.2E102 R103E102-K106 WeakPolarHBondContact O-CB 3.45Å; E102-K106 PolarHBondContact O-N 3.17Å; R103-K106 PolarHBondContact O-N 3.19Å
107K89.9Confident89.8Confident89 Ų8960.3 Ų60.339%0.38729%0.286SS..Hα-helixtrans-81.3-34.2-178.6-170.6165.9-171.7160.50114.3R103 L104 I105 D384 I386 F388R103-K107 WeakPolarHBondContact O-CB 3.39Å; R103-K107 PolarHBondContact O-N 2.82Å; L104-K107 PolarHBondContact O-N 3.24Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 3.4Å; K107-D384 PolarHBondContact NZ-O 3.15Å; K107-D384 VanDerWaalsContact NZ-O 3.07Å; K107-I386 HydrophobicContact CD-CB 3.85Å; K107-I386 HydrophobicContact CD-CD1 3.95Å; K107-I386 HydrophobicContact CD-CG1 4.43Å; K107-I386 HydrophobicContact CD-CG2 4.35Å; K107-I386 PolarHBondContact NZ-O 2.9Å; K107-F388 HydrophobicContact CD-CE2 4.29Å; K107-F388 HydrophobicContact CD-CZ 4.06Å; K107-F388 HydrophobicContact CG-CZ 4.42Å
108L88.6Confident90.1Very high36 Ų3662.8 Ų62.819%0.18830%0.295CS..Hα-helixtrans-93-19.1-174.9-65.1174.5000113.5Y21 V40 L42 L104 I105 A112 F388Y21-L108 HydrophobicContact CD1-CD1 4.29Å; Y21-L108 HydrophobicContact CD2-CD1 3.65Å; Y21-L108 HydrophobicContact CE1-CD1 4.26Å; Y21-L108 HydrophobicContact CE1-CD2 4.02Å; Y21-L108 HydrophobicContact CE2-CD1 3.63Å; Y21-L108 HydrophobicContact CE2-CD2 4.14Å; Y21-L108 HydrophobicContact CG-CD1 4Å; V40-L108 HydrophobicContact CG1-CD1 4.24Å; L42-L108 HydrophobicContact CD1-CB 4.42Å; L104-L108 HydrophobicContact CB-CD1 4.39Å; L104-L108 HydrophobicContact CD2-CD1 4.4Å; L104-L108 WeakPolarHBondContact O-CB 3.39Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 3.33Å; I105-L108 PolarHBondContact O-N 2.7Å; L108-A112 HydrophobicContact CB-CB 3.82Å; L108-A112 HydrophobicContact CD1-CB 4.46Å; L108-F388 HydrophobicContact CD2-CE2 4.44Å; L108-F388 HydrophobicContact CD2-CZ 3.88Å
109G89.6Confident90.2Very high33 Ų3361.3 Ų61.334%0.3429%0.286SS..  trans95.9-169.117700000114.4I105 H111 A112I105-G109 PolarHBondContact O-N 2.75Å; G109-H111 VanDerWaalsContact C-N 3.27Å; G109-H111 PolarHBondContact O-N 2.89Å; G109-A112 VanDerWaalsContact O-CB 3.24Å; G109-A112 WeakPolarHBondContact O-CB 3.42Å; G109-A112 PolarHBondContact O-N 2.84Å
110E86.4Confident90.3Very high158 Ų15854.7 Ų54.774%0.73827%0.267SS*.THydrogen-bonded Turntrans-68.9-16.3-170.158.8175.6-162.500115.4A112E110-A112 VanDerWaalsContact C-N 3.29Å
111H90.6Very high90Very high61 Ų6155.1 Ų55.128%0.28227%0.272SS..THydrogen-bonded Turntrans-94.516.4178.4-51-43000113.5L42 V43 G109 Y113L42-H111 HydrophobicContact CD1-CB 4.3Å; V43-H111 PolarHBondContact N-O 2.78Å; V43-H111 VanDerWaalsContact O-CB 3.27Å; V43-H111 WeakPolarHBondContact O-CB 3.49Å; G109-H111 VanDerWaalsContact C-N 3.27Å; G109-H111 PolarHBondContact O-N 2.89Å; H111-Y113 WeakPolarHBondContact O-CD2 3.24Å
112A91.5Very high89.7Confident6 Ų659.8 Ų59.85%0.0530%0.297CS..EExtended strand (participates in β ladder)trans-96.3112.8177.100000109.8V40 V41 I105 L108 G109 E110V40-A112 HydrophobicContact CG1-CB 3.71Å; V41-A112 WeakPolarHBondContact O-CA 3.25Å; I105-A112 HydrophobicContact CB-CB 4.49Å; I105-A112 HydrophobicContact CG1-CB 4.18Å; L108-A112 HydrophobicContact CB-CB 3.82Å; L108-A112 HydrophobicContact CD1-CB 4.46Å; G109-A112 VanDerWaalsContact O-CB 3.24Å; G109-A112 WeakPolarHBondContact O-CB 3.42Å; G109-A112 PolarHBondContact O-N 2.84Å; E110-A112 VanDerWaalsContact C-N 3.29Å
113Y91.5Very high89.6Confident44 Ų4455.4 Ų55.417%0.17328%0.277CS..EExtended strand (participates in β ladder)trans-110.3127.3-177.4-62.4-85.1000110.8V40 V41 V43 F87 P89 H111V40-Y113 CarbonylContact C-O 3.58Å; V40-Y113 WeakPolarHBondContact CA-O 3.47Å; V41-Y113 WeakPolarHBondContact CG2-O 3.4Å; V41-Y113 PolarHBondContact N-O 2.92Å; V41-Y113 PolarHBondContact O-N 2.88Å; V43-Y113 HydrophobicContact CG2-CD2 4.16Å; F87-Y113 HydrophobicContact CB-CD2 4.44Å; F87-Y113 HydrophobicContact CD2-CD1 4.33Å; F87-Y113 HydrophobicContact CD2-CD2 4.31Å; F87-Y113 AromaticContact CD2-CE1 3.7Å; F87-Y113 HydrophobicContact CD2-CE1 3.7Å; F87-Y113 AromaticContact CD2-CE2 3.68Å; F87-Y113 HydrophobicContact CD2-CE2 3.68Å; F87-Y113 AromaticContact CD2-CZ 3.34Å; F87-Y113 WeakPolarHBondContact CD2-OH 3.15Å; F87-Y113 HydrophobicContact CE2-CE1 4.31Å; F87-Y113 HydrophobicContact CE2-CE2 4.29Å; F87-Y113 AromaticContact CE2-CZ 3.75Å; F87-Y113 VanDerWaalsContact CE2-OH 3.3Å; F87-Y113 WeakPolarHBondContact CE2-OH 3.46Å; F87-Y113 HydrophobicContact CG-CE2 4.41Å; P89-Y113 HydrophobicContact CG-CE1 4.44Å; H111-Y113 WeakPolarHBondContact O-CD2 3.24Å
114P92.6Very high89.6Confident44 Ų4450.6 Ų50.629%0.28626%0.259SS..EExtended strand (participates in β ladder)trans-77.6155.9-178.330.7-33.1000112.2L97 Q101 I105L97-P114 HydrophobicContact CD2-CB 3.76Å; L97-P114 HydrophobicContact CD2-CG 3.5Å; Q101-P114 HydrophobicContact CB-CB 4.39Å; Q101-P114 HydrophobicContact CG-CB 4.21Å; I105-P114 HydrophobicContact CD1-CB 4.26Å; I105-P114 HydrophobicContact CD1-CG 4.13Å
115F92.4Very high89.6Confident4 Ų452.2 Ų52.22%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-146.2148.9166.166.8-89.2000110.2V20 L22 G39 V41 V55 V84 Q101 F117 V146V20-F115 HydrophobicContact CG1-CE1 4.09Å; V20-F115 HydrophobicContact CG1-CZ 3.92Å; L22-F115 HydrophobicContact CD2-CE2 4.14Å; L22-F115 HydrophobicContact CD2-CZ 3.82Å; G39-F115 VanDerWaalsContact C-CE1 3.42Å; G39-F115 PolarHBondContact N-O 2.94Å; G39-F115 PolarHBondContact O-N 3.24Å; G39-F115 VanDerWaalsContact O-O 3.13Å; V41-F115 HydrophobicContact CG1-CD1 3.82Å; V41-F115 HydrophobicContact CG1-CE1 3.7Å; V55-F115 HydrophobicContact CB-CG 4.34Å; V55-F115 HydrophobicContact CG1-CD1 4.49Å; V55-F115 HydrophobicContact CG1-CD2 3.98Å; V55-F115 HydrophobicContact CG1-CE2 4.02Å; V55-F115 HydrophobicContact CG1-CG 4.22Å; V55-F115 HydrophobicContact CG1-CZ 4.28Å; V55-F115 HydrophobicContact CG2-CB 4.47Å; V55-F115 HydrophobicContact CG2-CD1 4.05Å; V55-F115 HydrophobicContact CG2-CG 4.17Å; V84-F115 HydrophobicContact CG1-CB 4.26Å; Q101-F115 PolarHBondContact NE2-O 2.84Å; F115-F117 AromaticContact CD2-CD2 3.86Å; F115-F117 HydrophobicContact CD2-CD2 3.86Å; F115-F117 AromaticContact CD2-CE2 3.52Å; F115-F117 HydrophobicContact CD2-CE2 3.52Å; F115-F117 HydrophobicContact CE2-CD2 4.22Å; F115-F117 AromaticContact CE2-CE2 3.97Å; F115-F117 HydrophobicContact CE2-CE2 3.97Å; F115-F117 HydrophobicContact CG-CE2 4.49Å; F115-V146 HydrophobicContact CE2-CG1 4.3Å; F115-V146 HydrophobicContact CZ-CG1 4.42Å
116T91.9Very high89.5Confident22 Ų2250.7 Ų50.714%0.13526%0.264CS..EExtended strand (participates in β ladder)trans-141.2128.5178.5-52.20000110.2P36 V37 Q101P36-T116 HydrophobicContact CB-CG2 4.12Å; V37-T116 CarbonylContact O-C 3.56Å; V37-T116 VanDerWaalsContact O-CA 3.31Å; V37-T116 WeakPolarHBondContact O-CA 3.37Å; Q101-T116 PolarHBondContact NE2-OG1 2.99Å
117F92.5Very high89.5Confident5 Ų542.7 Ų42.72%0.02223%0.229CC..EExtended strand (participates in β ladder)trans-112.9140.6171.4-61.5-80.7000111.7P36 V37 V55 L57 A82 V84 F115P36-F117 CarbonylContact C-O 3.59Å; P36-F117 WeakPolarHBondContact CA-O 3.34Å; V37-F117 HydrophobicContact CB-CB 4.19Å; V37-F117 PolarHBondContact N-O 3.46Å; V37-F117 PolarHBondContact O-N 2.81Å; V55-F117 HydrophobicContact CB-CE2 4.22Å; V55-F117 HydrophobicContact CB-CZ 4.05Å; V55-F117 HydrophobicContact CG1-CE2 3.65Å; V55-F117 HydrophobicContact CG1-CZ 3.9Å; V55-F117 WeakPolarHBondContact O-CZ 3.47Å; L57-F117 HydrophobicContact CB-CB 4.32Å; L57-F117 HydrophobicContact CB-CD1 3.79Å; L57-F117 HydrophobicContact CB-CD2 3.93Å; L57-F117 HydrophobicContact CB-CE1 4.02Å; L57-F117 HydrophobicContact CB-CE2 4.16Å; L57-F117 HydrophobicContact CB-CG 3.74Å; L57-F117 HydrophobicContact CB-CZ 4.21Å; L57-F117 HydrophobicContact CD2-CB 3.58Å; L57-F117 HydrophobicContact CD2-CD1 4.49Å; L57-F117 HydrophobicContact CD2-CD2 4.47Å; L57-F117 HydrophobicContact CD2-CG 3.96Å; L57-F117 HydrophobicContact CG-CG 4.5Å; A82-F117 HydrophobicContact CB-CD1 3.72Å; A82-F117 HydrophobicContact CB-CE1 3.97Å; A82-F117 WeakPolarHBondContact O-CE1 3.33Å; V84-F117 HydrophobicContact CB-CE1 4.09Å; V84-F117 HydrophobicContact CB-CZ 4.06Å; V84-F117 HydrophobicContact CG2-CD1 4.09Å; V84-F117 HydrophobicContact CG2-CE1 3.52Å; V84-F117 HydrophobicContact CG2-CZ 3.94Å; F115-F117 AromaticContact CD2-CD2 3.86Å; F115-F117 HydrophobicContact CD2-CD2 3.86Å; F115-F117 AromaticContact CD2-CE2 3.52Å; F115-F117 HydrophobicContact CD2-CE2 3.52Å; F115-F117 HydrophobicContact CE2-CD2 4.22Å; F115-F117 AromaticContact CE2-CE2 3.97Å; F115-F117 HydrophobicContact CE2-CE2 3.97Å; F115-F117 HydrophobicContact CG-CE2 4.49Å
118E91.6Very high89.4Confident126 Ų12639 Ų3959%0.58922%0.215SC*.PPolyproline II helixtrans-103.9121.7169.6-73.5160.9-136.300108.2K95 P120K95-E118 IonicContact NZ-OE1 3.93Å; K95-E118 PolarHBondContact NZ-OE1 2.84Å; E118-P120 WeakPolarHBondContact O-CD 3.3Å
119I91.1Very high89.2Confident8 Ų837.7 Ų37.74%0.04121%0.207CC..PPolyproline II helixtrans-88.2122.8178.7-62.6175.5000108.1V34 V37 L57 L123 Y144 K170V34-I119 HydrophobicContact CB-CB 4.08Å; V34-I119 HydrophobicContact CG1-CB 3.88Å; V34-I119 HydrophobicContact CG1-CD1 4.28Å; V34-I119 HydrophobicContact CG1-CG2 4.23Å; V34-I119 HydrophobicContact CG2-CB 4.47Å; V34-I119 HydrophobicContact CG2-CG2 4.42Å; V34-I119 WeakPolarHBondContact CG2-O 3.41Å; V37-I119 HydrophobicContact CG2-CD1 3.76Å; V37-I119 HydrophobicContact CG2-CG1 4.26Å; L57-I119 HydrophobicContact CD2-CD1 4.2Å; L57-I119 HydrophobicContact CD2-CG1 3.7Å; I119-L123 HydrophobicContact CG2-CD1 4.03Å; I119-Y144 HydrophobicContact CD1-CD1 4.26Å; I119-Y144 HydrophobicContact CD1-CE1 4.27Å; I119-Y144 HydrophobicContact CG2-CE1 3.95Å; I119-K170 HydrophobicContact CG2-CD 4.19Å
120P88.5Confident88.5Confident48 Ų4837.3 Ų37.331%0.31220%0.197SC..PPolyproline II helixtrans-58134.8173.1-24.332000111.6F80 E118 N122 L123F80-P120 HydrophobicContact CD2-CG 4.06Å; F80-P120 HydrophobicContact CE2-CG 3.61Å; F80-P120 HydrophobicContact CZ-CG 4Å; E118-P120 WeakPolarHBondContact O-CD 3.3Å; P120-N122 PolarHBondContact O-N 2.91Å; P120-L123 HydrophobicContact CB-CD1 4.32Å; P120-L123 HydrophobicContact CB-CG 4.27Å; P120-L123 HydrophobicContact CG-CD1 4.17Å; P120-L123 PolarHBondContact O-N 2.59Å
121P83.5Confident87.6Confident39 Ų3932.1 Ų32.125%0.25318%0.177SC..THydrogen-bonded Turntrans-63.7-26.4-177.323.7-33.3000112.9I31 V34 L123 K170I31-P121 WeakPolarHBondContact O-CB 3.46Å; V34-P121 HydrophobicContact CG2-CB 4.29Å; P121-L123 PolarHBondContact O-N 2.82Å; P121-K170 PolarHBondContact O-NZ 3.37Å
122N83.7Confident86.4Confident99 Ų9929.5 Ų29.553%0.52917%0.166SC..THydrogen-bonded Turntrans-73.7-4.5-178.1-62.3-22.9000114.6P120P120-N122 PolarHBondContact O-N 2.91Å
123L87.6Confident84.9Confident15 Ų1534.9 Ų34.98%0.07920%0.201CC..SBendtrans-79.5147.2177.2-65.4174.2000111.7L79 F80 I119 P120 P121 Y144 K170L79-L123 HydrophobicContact CB-CD2 4.48Å; F80-L123 HydrophobicContact CB-CD1 3.51Å; F80-L123 HydrophobicContact CB-CD2 3.84Å; F80-L123 HydrophobicContact CB-CG 4.34Å; F80-L123 HydrophobicContact CD1-CD1 3.87Å; F80-L123 HydrophobicContact CD2-CD1 4.13Å; F80-L123 HydrophobicContact CG-CD1 3.59Å; I119-L123 HydrophobicContact CG2-CD1 4.03Å; P120-L123 HydrophobicContact CB-CD1 4.32Å; P120-L123 HydrophobicContact CB-CG 4.27Å; P120-L123 HydrophobicContact CG-CD1 4.17Å; P120-L123 PolarHBondContact O-N 2.59Å; P121-L123 PolarHBondContact O-N 2.82Å; L123-Y144 WeakPolarHBondContact CB-OH 3.45Å; L123-Y144 HydrophobicContact CD1-CE1 4.4Å; L123-K170 PolarHBondContact O-NZ 3.05Å
124P87.9Confident83.1Confident4 Ų440.8 Ų40.83%0.02623%0.23CC..PPolyproline II helixtrans-63.4152.5179.221.4-29.9000113.4L79 V142 Y144 I314 L315L79-P124 HydrophobicContact CD1-CG 3.66Å; P124-V142 HydrophobicContact CB-CG1 4.29Å; P124-V142 HydrophobicContact CB-CG2 4.34Å; P124-V142 HydrophobicContact CG-CG1 3.82Å; P124-V142 HydrophobicContact CG-CG2 4.1Å; P124-Y144 VanDerWaalsContact O-CE2 3.23Å; P124-Y144 WeakPolarHBondContact O-CE2 2.86Å; P124-Y144 PolarHBondContact O-OH 2.85Å; P124-I314 WeakPolarHBondContact CD-O 3.41Å; P124-L315 HydrophobicContact CB-CB 4.46Å; P124-L315 HydrophobicContact CB-CD2 4.28Å; P124-L315 WeakPolarHBondContact CB-O 3.49Å
125C89.3Confident81.4Confident33 Ų3341.8 Ų41.822%0.22323%0.233CC..PPolyproline II helixtrans-70163169-69.40000111.5V127 K170C125-V127 PolarHBondContact O-N 2.84Å; C125-K170 WeakPolarHBondContact CB-O 3.36Å
126S89.4Confident79.4Confident13 Ų1346.2 Ų46.29%0.09126%0.26CS..PPolyproline II helixtrans-65.9121.3174.8-68.50000110.5Y144 R169 K170S126-Y144 WeakPolarHBondContact OG-CD2 3.34Å; S126-R169 WeakPolarHBondContact OG-CA 3.42Å; S126-K170 PolarHBondContact N-O 3.11Å; S126-K170 PolarHBondContact OG-N 2.99Å
127V89.9Confident77.5Confident9 Ų946.4 Ų46.46%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-146135.5-178570000109.7C125 G141 V142 A288 L289 A301 I317 V319C125-V127 PolarHBondContact O-N 2.84Å; V127-G141 CarbonylContact O-C 3.59Å; V127-G141 WeakPolarHBondContact O-CA 3.36Å; V127-V142 HydrophobicContact CG1-CB 4.14Å; V127-V142 HydrophobicContact CG1-CG2 4.11Å; V127-V142 PolarHBondContact N-O 2.8Å; V127-V142 PolarHBondContact O-N 3.08Å; V127-A288 HydrophobicContact CG2-CB 4.1Å; V127-L289 CarbonylContact C-O 3.55Å; V127-L289 WeakPolarHBondContact CA-O 3.43Å; V127-A301 HydrophobicContact CG2-CB 3.95Å; V127-I317 HydrophobicContact CG1-CB 3.84Å; V127-I317 HydrophobicContact CG1-CD1 4.16Å; V127-I317 HydrophobicContact CG1-CG1 4.23Å; V127-I317 HydrophobicContact CG2-CB 4.38Å; V127-I317 HydrophobicContact CG2-CG2 4.3Å; V127-V319 HydrophobicContact CG2-CG2 3.93Å
128T87.6Confident75.7Confident13 Ų1349.4 Ų49.48%0.0828%0.28CS..EExtended strand (participates in β ladder)trans-130.2125.4-179.8-53.80000109.1A139 C140 A288 L289T128-A139 HydrophobicContact CG2-CB 3.41Å; T128-A139 VanDerWaalsContact CG2-CB 3.41Å; T128-C140 CarbonylContact C-O 3.54Å; T128-A288 CarbonylContact O-C 3.5Å; T128-L289 PolarHBondContact N-O 3.07Å; T128-L289 PolarHBondContact O-N 3.47Å
129L84.2Confident74.4Confident7 Ų745.2 Ų45.24%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-85.6126.3171.5-79.8170.5000110.3P131 A139 C140 A239 I241 Y249 A288 I317L129-P131 WeakPolarHBondContact O-CD 3.49Å; L129-A139 WeakPolarHBondContact O-CB 3.39Å; L129-C140 HydrophobicContact CB-CB 4.26Å; L129-C140 PolarHBondContact N-O 3.39Å; L129-A239 HydrophobicContact CD2-CB 3.71Å; L129-I241 HydrophobicContact CD1-CD1 3.51Å; L129-I241 HydrophobicContact CD1-CG1 3.62Å; L129-Y249 HydrophobicContact CD1-CD2 4.19Å; L129-Y249 HydrophobicContact CD1-CE2 4.3Å; L129-A288 HydrophobicContact CD2-CB 3.87Å; L129-I317 HydrophobicContact CD1-CD1 3.73Å; L129-I317 HydrophobicContact CD1-CG2 4.25Å; L129-I317 HydrophobicContact CG-CD1 3.87Å; L129-I317 HydrophobicContact CG-CG2 4.42Å
130Q75.1Confident73.8Confident25 Ų2545.5 Ų45.512%0.11727%0.27CS..PPolyproline II helixtrans-67.3120.3176.5-174.9169-1.900110.7R282 K284 G286 L287Q130-R282 PolarHBondContact NE2-O 2.97Å; Q130-K284 PolarHBondContact OE1-O 2.86Å; Q130-G286 PolarHBondContact O-N 2.83Å; Q130-L287 HydrophobicContact CB-CB 4.31Å; Q130-L287 WeakPolarHBondContact CB-O 3.15Å; Q130-L287 PolarHBondContact N-O 2.82Å
131P67.9Low73.6Confident50 Ų5043.3 Ų43.333%0.32526%0.256SS..PPolyproline II helixtrans-65.8155.4175.126.8-31.9000111L129 D135 A139L129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-D135 HydrophobicContact CB-CB 3.88Å; P131-A139 HydrophobicContact CG-CB 4.46Å
132G65.1Low73.8Confident5 Ų541.5 Ų41.55%0.05224%0.244CC..PPolyproline II helixtrans-73163.2171.600000113E134 D135 R285G132-E134 PolarHBondContact O-N 2.89Å; G132-D135 WeakPolarHBondContact CA-OD2 3.46Å; G132-D135 PolarHBondContact N-OD2 3.12Å; G132-D135 WeakPolarHBondContact O-CA 3.26Å; G132-D135 WeakPolarHBondContact O-CB 3.23Å; G132-D135 PolarHBondContact O-N 3.21Å; G132-R285 VanDerWaalsContact CA-CG 3.4Å
133P59.1Low74.1Confident120 Ų12037.9 Ų37.978%0.77923%0.225SC*.THydrogen-bonded Turntrans-60.3-2717523.4-32.7000113.5
134E54.3Low74.3Confident167 Ų16737.2 Ų37.278%0.7822%0.221SC*.THydrogen-bonded Turntrans-84.2-14.6173.8-59.5-63.214300112.9G132 T136G132-E134 PolarHBondContact O-N 2.89Å; E134-T136 PolarHBondContact O-N 3.33Å
135D55.7Low74.5Confident65 Ų6537.6 Ų37.635%0.34822%0.222SC..  trans-88.390.7-178.9-61.3-38.9000109.4P131 G132 G137 R285P131-D135 HydrophobicContact CB-CB 3.88Å; G132-D135 WeakPolarHBondContact CA-OD2 3.46Å; G132-D135 PolarHBondContact N-OD2 3.12Å; G132-D135 WeakPolarHBondContact O-CA 3.26Å; G132-D135 WeakPolarHBondContact O-CB 3.23Å; G132-D135 PolarHBondContact O-N 3.21Å; D135-G137 PolarHBondContact O-N 3.27Å; D135-R285 IonicContact OD1-CZ 2.94Å; D135-R285 IonicContact OD1-NH2 2.93Å; D135-R285 PolarHBondContact OD1-NH2 3.38Å; D135-R285 IonicContact OD2-CZ 2.72Å; D135-R285 VanDerWaalsContact OD2-CZ 3.24Å; D135-R285 IonicContact OD2-NE 3.39Å; D135-R285 PolarHBondContact OD2-NE 2.86Å; D135-R285 IonicContact OD2-NH2 2.76Å; D135-R285 PolarHBondContact OD2-NH2 2.65Å
136T50.8Low74.7Confident97 Ų9736 Ų3660%0.59521%0.212SC*.  trans-8033.9-179.450.20000114.1R65 E134R65-T136 PolarHBondContact NE-O 3.05Å; R65-T136 VanDerWaalsContact NE-O 3.16Å; R65-T136 PolarHBondContact NH2-OG1 2.76Å; R65-T136 VanDerWaalsContact NH2-OG1 3.09Å; E134-T136 PolarHBondContact O-N 3.33Å
137G52.2Low74.9Confident27 Ų2737.8 Ų37.828%0.27822%0.218SC..SBendtrans-122.5170.4-176.800000114D135D135-G137 PolarHBondContact O-N 3.27Å
138K55.8Low75.1Confident68 Ų6837.3 Ų37.330%0.29622%0.215SC..EExtended strand (participates in β ladder)trans-62.7142.9176-73.7-167.5178.4-177.60110.4E66 C140 E404E66-K138 VanDerWaalsContact CD-CE 3.45Å; E66-K138 HydrophobicContact CG-CD 4.28Å; E66-K138 IonicContact OE1-NZ 2.99Å; E66-K138 PolarHBondContact OE1-NZ 2.71Å; E66-K138 WeakPolarHBondContact OE2-CE 3.44Å; E66-K138 IonicContact OE2-NZ 2.71Å; E66-K138 PolarHBondContact OE2-NZ 2.99Å; K138-C140 PolarHBondContact O-N 2.82Å; K138-E404 WeakPolarHBondContact CE-OE1 3.25Å; K138-E404 IonicContact NZ-OE1 2.73Å
139A63.7Low75.3Confident37 Ų3737 Ų3731%0.30621%0.212SC..EExtended strand (participates in β ladder)trans-56.9133.1177.200000110.8T128 L129 P131T128-A139 HydrophobicContact CG2-CB 3.41Å; T128-A139 VanDerWaalsContact CG2-CB 3.41Å; L129-A139 WeakPolarHBondContact O-CB 3.39Å; P131-A139 HydrophobicContact CG-CB 4.46Å
140C77.3Confident75.6Confident15 Ų1536.8 Ų36.810%0.10121%0.212CC..EExtended strand (participates in β ladder)trans-69.7134.3174.71720000108.9R62 Y63 T128 L129 K138R62-C140 CarbonylContact O-C 3.5Å; R62-C140 VanDerWaalsContact O-CA 3.28Å; R62-C140 WeakPolarHBondContact O-CA 3.19Å; Y63-C140 HydrophobicContact CD2-CB 4.16Å; T128-C140 CarbonylContact C-O 3.54Å; L129-C140 HydrophobicContact CB-CB 4.26Å; L129-C140 PolarHBondContact N-O 3.39Å; K138-C140 PolarHBondContact O-N 2.82Å
141G85.6Confident76.1Confident2 Ų235.8 Ų35.82%0.02121%0.207CC..EExtended strand (participates in β ladder)trans179.2173.1-17700000115.9F61 R62 V127F61-G141 CarbonylContact C-O 3.5Å; F61-G141 WeakPolarHBondContact CA-O 3.42Å; R62-G141 PolarHBondContact N-O 3.3Å; R62-G141 PolarHBondContact O-N 3.08Å; V127-G141 CarbonylContact O-C 3.59Å; V127-G141 WeakPolarHBondContact O-CA 3.36Å
142V88.5Confident76.9Confident0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-105.1116.7170.7177.30000108.1F61 P124 V127 Y144F61-V142 HydrophobicContact CD2-CG2 3.92Å; P124-V142 HydrophobicContact CB-CG1 4.29Å; P124-V142 HydrophobicContact CB-CG2 4.34Å; P124-V142 HydrophobicContact CG-CG1 3.82Å; P124-V142 HydrophobicContact CG-CG2 4.1Å; V127-V142 HydrophobicContact CG1-CB 4.14Å; V127-V142 HydrophobicContact CG1-CG2 4.11Å; V127-V142 PolarHBondContact N-O 2.8Å; V127-V142 PolarHBondContact O-N 3.08Å; V142-Y144 HydrophobicContact CG1-CE2 4.19Å
143D89.1Confident77.5Confident24 Ų2442.6 Ų42.613%0.12824%0.237CC..EExtended strand (participates in β ladder)trans-114145.1176.9-65.3-29.6000110.9C59 A60 R62C59-D143 WeakPolarHBondContact CA-O 3.48Å; A60-D143 PolarHBondContact N-O 2.91Å; A60-D143 PolarHBondContact O-N 2.9Å; R62-D143 IonicContact CZ-OD2 3.8Å; R62-D143 IonicContact NH1-OD2 3.61Å; R62-D143 PolarHBondContact NH1-OD2 2.81Å
144Y91.8Very high78.3Confident0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-106.3122.3166.9-73.4-102.3000109.6L57 T58 C59 I119 L123 P124 S126 V142 V167 I168 K170L57-Y144 HydrophobicContact CD1-CD1 4.49Å; T58-Y144 WeakPolarHBondContact O-CA 3.41Å; C59-Y144 HydrophobicContact CB-CD1 3.98Å; C59-Y144 HydrophobicContact CB-CE1 3.72Å; C59-Y144 VanDerWaalsContact SG-CZ 3.54Å; I119-Y144 HydrophobicContact CD1-CD1 4.26Å; I119-Y144 HydrophobicContact CD1-CE1 4.27Å; I119-Y144 HydrophobicContact CG2-CE1 3.95Å; L123-Y144 WeakPolarHBondContact CB-OH 3.45Å; L123-Y144 HydrophobicContact CD1-CE1 4.4Å; P124-Y144 VanDerWaalsContact O-CE2 3.23Å; P124-Y144 WeakPolarHBondContact O-CE2 2.86Å; P124-Y144 PolarHBondContact O-OH 2.85Å; S126-Y144 WeakPolarHBondContact OG-CD2 3.34Å; V142-Y144 HydrophobicContact CG1-CE2 4.19Å; Y144-V167 CarbonylContact O-C 3.57Å; Y144-V167 WeakPolarHBondContact O-CA 3.43Å; Y144-I168 PolarHBondContact O-N 3.26Å; Y144-K170 HydrophobicContact CD2-CB 3.92Å; Y144-K170 HydrophobicContact CE1-CB 4.5Å; Y144-K170 HydrophobicContact CE1-CD 4.41Å; Y144-K170 HydrophobicContact CE2-CB 3.56Å; Y144-K170 HydrophobicContact CE2-CD 4.15Å; Y144-K170 HydrophobicContact CE2-CG 4.47Å; Y144-K170 VanDerWaalsContact OH-CD 3.22Å; Y144-K170 WeakPolarHBondContact OH-CD 3.23Å
145E92.3Very high79.3Confident13 Ų1342.7 Ų42.76%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-119.2119.8-174.7179.4175.6-23.100110.2L57 T58 R62 K147 R165 L166L57-E145 CarbonylContact C-O 3.58Å; L57-E145 WeakPolarHBondContact CA-O 3.22Å; T58-E145 PolarHBondContact N-O 2.79Å; T58-E145 PolarHBondContact O-N 2.91Å; R62-E145 IonicContact NH2-OE1 2.79Å; R62-E145 PolarHBondContact NH2-OE1 3.41Å; E145-K147 HydrophobicContact CG-CB 4.46Å; E145-R165 HydrophobicContact CG-CG 3.91Å; E145-R165 IonicContact OE1-CZ 3.75Å; E145-R165 IonicContact OE1-NE 2.7Å; E145-R165 PolarHBondContact OE1-NE 2.85Å; E145-R165 VanDerWaalsContact OE1-NE 3.15Å; E145-R165 IonicContact OE1-NH2 3.66Å; E145-R165 PolarHBondContact OE1-NH2 2.77Å; E145-R165 VanDerWaalsContact OE2-CD 3.23Å; E145-R165 WeakPolarHBondContact OE2-CD 3.46Å; E145-R165 VanDerWaalsContact OE2-CG 3.27Å; E145-R165 WeakPolarHBondContact OE2-CG 3.45Å; E145-R165 IonicContact OE2-CZ 2.71Å; E145-R165 IonicContact OE2-NE 3.38Å; E145-R165 PolarHBondContact OE2-NE 2.91Å; E145-R165 IonicContact OE2-NH2 3.71Å; E145-L166 WeakPolarHBondContact CA-O 3.35Å
146V93.8Very high80.3Confident0 Ų043.2 Ų43.20%023%0.23CC..EExtended strand (participates in β ladder)trans-95116.2166.2-178.70000107.3V37 V55 T56 L57 F115 L166 I168V37-V146 HydrophobicContact CG1-CG2 4.15Å; V55-V146 HydrophobicContact CG1-CG1 3.91Å; T56-V146 WeakPolarHBondContact O-CA 3.16Å; L57-V146 HydrophobicContact CD1-CG2 3.89Å; F115-V146 HydrophobicContact CE2-CG1 4.3Å; F115-V146 HydrophobicContact CZ-CG1 4.42Å; V146-L166 HydrophobicContact CB-CB 4.43Å; V146-L166 PolarHBondContact N-O 3.19Å; V146-L166 PolarHBondContact O-N 3.07Å; V146-I168 HydrophobicContact CG2-CD1 3.81Å; V146-I168 HydrophobicContact CG2-CG1 4.21Å; V146-I168 HydrophobicContact CG2-CG2 4.01Å
147K93.6Very high81.6Confident49 Ų4947.2 Ų47.221%0.21324%0.239CC..EExtended strand (participates in β ladder)trans-121.6122.3179.4-172.2-176.7-179.9-174.80109.9V55 T56 E145 F149 V164V55-K147 CarbonylContact C-O 3.5Å; V55-K147 WeakPolarHBondContact CA-O 3.5Å; T56-K147 PolarHBondContact N-O 3.02Å; T56-K147 PolarHBondContact O-N 3.5Å; T56-K147 PolarHBondContact OG1-O 3.42Å; E145-K147 HydrophobicContact CG-CB 4.46Å; K147-F149 HydrophobicContact CD-CD1 4.47Å; K147-F149 HydrophobicContact CG-CD1 4.31Å; K147-V164 CarbonylContact C-O 3.53Å; K147-V164 VanDerWaalsContact CA-O 3.26Å; K147-V164 WeakPolarHBondContact CA-O 3.31Å
148A93.1Very high83.1Confident0 Ų048.6 Ų48.60%024%0.239CC..EExtended strand (participates in β ladder)trans-107.3138.5171.800000109.2L18 V20 V41 Y54 V55 S163 V164L18-A148 HydrophobicContact CD2-CB 3.89Å; V20-A148 HydrophobicContact CG2-CB 3.44Å; V20-A148 VanDerWaalsContact CG2-CB 3.44Å; V41-A148 HydrophobicContact CG1-CB 4.28Å; Y54-A148 CarbonylContact O-C 3.51Å; Y54-A148 WeakPolarHBondContact O-CA 3.4Å; V55-A148 HydrophobicContact CG1-CB 4.48Å; V55-A148 HydrophobicContact CG2-CB 4.07Å; A148-S163 CarbonylContact O-C 3.52Å; A148-S163 VanDerWaalsContact O-CA 3.23Å; A148-S163 WeakPolarHBondContact O-CA 3.39Å; A148-V164 PolarHBondContact N-O 3.19Å; A148-V164 PolarHBondContact O-N 2.74Å
149F92.1Very high84.4Confident5 Ų550.7 Ų50.72%0.02225%0.25CS..EExtended strand (participates in β ladder)trans-153.1154178.959.4-90.7000112.4V53 Y54 T56 K147 A151 I158V53-F149 WeakPolarHBondContact CA-O 3.27Å; Y54-F149 HydrophobicContact CD2-CD2 4.47Å; Y54-F149 AromaticContact CD2-CE2 3.86Å; Y54-F149 HydrophobicContact CD2-CE2 3.86Å; Y54-F149 HydrophobicContact CD2-CZ 4.42Å; Y54-F149 HydrophobicContact CG-CE2 4.26Å; Y54-F149 HydrophobicContact CG-CZ 4.4Å; Y54-F149 PolarHBondContact N-O 3.41Å; Y54-F149 PolarHBondContact O-N 2.96Å; T56-F149 HydrophobicContact CG2-CE1 3.57Å; T56-F149 HydrophobicContact CG2-CZ 4.11Å; K147-F149 HydrophobicContact CD-CD1 4.47Å; K147-F149 HydrophobicContact CG-CD1 4.31Å; F149-A151 HydrophobicContact CD2-CB 3.91Å; F149-A151 HydrophobicContact CE2-CB 3.97Å; F149-I158 HydrophobicContact CB-CG2 3.61Å; F149-I158 HydrophobicContact CD1-CD1 3.75Å; F149-I158 HydrophobicContact CD1-CG1 4.26Å; F149-I158 HydrophobicContact CD1-CG2 4.26Å; F149-I158 HydrophobicContact CD2-CD1 4.16Å; F149-I158 HydrophobicContact CD2-CG1 3.81Å; F149-I158 HydrophobicContact CD2-CG2 4.15Å; F149-I158 HydrophobicContact CE1-CD1 3.49Å; F149-I158 VanDerWaalsContact CE1-CD1 3.49Å; F149-I158 HydrophobicContact CE1-CG1 4.23Å; F149-I158 HydrophobicContact CE2-CD1 3.95Å; F149-I158 HydrophobicContact CE2-CG1 3.81Å; F149-I158 HydrophobicContact CG-CD1 4.07Å; F149-I158 HydrophobicContact CG-CG1 4.04Å; F149-I158 HydrophobicContact CG-CG2 3.77Å; F149-I158 HydrophobicContact CZ-CD1 3.61Å; F149-I158 HydrophobicContact CZ-CG1 4.02Å
150C89.9Confident85.3Confident4 Ų456.2 Ų56.23%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-96127171.2-50.10000110.1R52 N162R52-C150 CarbonylContact O-C 3.55Å; R52-C150 VanDerWaalsContact O-CA 3.26Å; R52-C150 WeakPolarHBondContact O-CA 3.26Å; C150-N162 PolarHBondContact N-O 2.86Å; C150-N162 PolarHBondContact O-ND2 2.85Å
151A86.9Confident85.7Confident3 Ų364.2 Ų64.23%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-150.1156.6176.100000110.3R52 Y54 F149 N153 E156R52-A151 WeakPolarHBondContact CA-O 3.38Å; R52-A151 WeakPolarHBondContact CB-O 3.47Å; R52-A151 PolarHBondContact N-O 3.04Å; R52-A151 PolarHBondContact O-N 3.17Å; R52-A151 VanDerWaalsContact O-O 3.06Å; Y54-A151 HydrophobicContact CD2-CB 4.44Å; Y54-A151 HydrophobicContact CE2-CB 4.47Å; F149-A151 HydrophobicContact CD2-CB 3.91Å; F149-A151 HydrophobicContact CE2-CB 3.97Å; A151-N153 WeakPolarHBondContact CB-O 3.04Å; A151-E156 HydrophobicContact CB-CB 4.37Å
152E83.4Confident85.7Confident103 Ų10364.4 Ų64.448%0.48130%0.296SS..SBendtrans-73.5-45.1172.9-66.1179.6-176.400110R51 E156R51-E152 HydrophobicContact CG-CG 3.84Å; E152-E156 PolarHBondContact N-OE2 3.47Å
153N79.3Confident85.7Confident96 Ų9665.1 Ų65.151%0.51330%0.301SS..SBendtrans-129.7156.7179.7-65.8-47.4000111.6A151 E155 E156A151-N153 WeakPolarHBondContact CB-O 3.04Å; N153-E155 PolarHBondContact O-N 3.47Å; N153-E156 WeakPolarHBondContact O-CB 3.41Å; N153-E156 PolarHBondContact O-N 3.4Å
154L74.8Confident85.8Confident95 Ų9564.1 Ų64.150%0.49730%0.296SS..THydrogen-bonded Turntrans-63.4-24.4176.4-77.7162.9000113.4Y54 E156Y54-L154 HydrophobicContact CD1-CD2 3.59Å; Y54-L154 HydrophobicContact CD1-CG 4.13Å; Y54-L154 HydrophobicContact CD2-CD2 4.22Å; Y54-L154 HydrophobicContact CE1-CD1 4.22Å; Y54-L154 HydrophobicContact CE1-CD2 3.77Å; Y54-L154 HydrophobicContact CE1-CG 3.76Å; Y54-L154 HydrophobicContact CE2-CD2 4.37Å; Y54-L154 HydrophobicContact CE2-CG 4.34Å; Y54-L154 HydrophobicContact CG-CD2 3.81Å; L154-E156 VanDerWaalsContact C-N 3.34Å
155E75.4Confident85.8Confident193 Ų19368.4 Ų68.490%0.90231%0.312SS*.THydrogen-bonded Turntrans-83.9-10.5-179.6-61.2179.8179.600113.1N153N153-E155 PolarHBondContact O-N 3.47Å
156E77.3Confident85.7Confident77 Ų7767.8 Ų67.836%0.3631%0.309SS..SBendtrans-70.4142.8-179.2-163-174.716800111A151 E152 N153 L154 I158A151-E156 HydrophobicContact CB-CB 4.37Å; E152-E156 PolarHBondContact N-OE2 3.47Å; N153-E156 WeakPolarHBondContact O-CB 3.41Å; N153-E156 PolarHBondContact O-N 3.4Å; L154-E156 VanDerWaalsContact C-N 3.34Å; E156-I158 PolarHBondContact O-N 3.25Å; E156-I158 VanDerWaalsContact O-N 3.07Å
157K78.3Confident85.5Confident181 Ų18169.8 Ų69.879%0.78732%0.321SS*.  trans-65.7113.7177.9-171.3175.4-177.7175.80110.1H159K157-H159 PolarHBondContact O-N 3.41Å
158I83.7Confident85.4Confident56 Ų5667.5 Ų67.529%0.28731%0.311SS..  trans-62.8122.9-179.7-54.5166.3000110.7F149 E156F149-I158 HydrophobicContact CB-CG2 3.61Å; F149-I158 HydrophobicContact CD1-CD1 3.75Å; F149-I158 HydrophobicContact CD1-CG1 4.26Å; F149-I158 HydrophobicContact CD1-CG2 4.26Å; F149-I158 HydrophobicContact CD2-CD1 4.16Å; F149-I158 HydrophobicContact CD2-CG1 3.81Å; F149-I158 HydrophobicContact CD2-CG2 4.15Å; F149-I158 HydrophobicContact CE1-CD1 3.49Å; F149-I158 VanDerWaalsContact CE1-CD1 3.49Å; F149-I158 HydrophobicContact CE1-CG1 4.23Å; F149-I158 HydrophobicContact CE2-CD1 3.95Å; F149-I158 HydrophobicContact CE2-CG1 3.81Å; F149-I158 HydrophobicContact CG-CD1 4.07Å; F149-I158 HydrophobicContact CG-CG1 4.04Å; F149-I158 HydrophobicContact CG-CG2 3.77Å; F149-I158 HydrophobicContact CZ-CD1 3.61Å; F149-I158 HydrophobicContact CZ-CG1 4.02Å; E156-I158 PolarHBondContact O-N 3.25Å; E156-I158 VanDerWaalsContact O-N 3.07Å
159H82.3Confident85.3Confident112 Ų11268.4 Ų68.452%0.51931%0.314SS..  trans-82.4136.8175.8-69.9-78.3000111.8K157 R161 N162 S163K157-H159 PolarHBondContact O-N 3.41Å; H159-R161 PolarHBondContact O-N 3.21Å; H159-N162 WeakPolarHBondContact CB-OD1 3.14Å; H159-N162 PolarHBondContact O-N 2.87Å; H159-N162 PolarHBondContact O-OD1 2.84Å; H159-S163 WeakPolarHBondContact O-CB 3.3Å; H159-S163 PolarHBondContact O-N 3.3Å; H159-S163 PolarHBondContact O-OG 2.86Å
160K82.6Confident85.2Confident153 Ų15368.2 Ų68.267%0.66531%0.314SS*.G310 helixtrans-59.8-32.7176.4-70.7-172.8176.7-176.70112.1N162 S163 E407K160-N162 PolarHBondContact O-N 2.98Å; K160-S163 WeakPolarHBondContact CA-OG 3.21Å; K160-S163 PolarHBondContact O-N 3.26Å; K160-S163 PolarHBondContact O-OG 2.74Å; K160-E407 IonicContact NZ-OE2 2.81Å; K160-E407 PolarHBondContact NZ-OE2 3.32Å
161R85.8Confident85.1Confident182 Ų18268.7 Ų68.769%0.68732%0.316SS*.G310 helixtrans-66-32.6-175.4-175.8174.7-177.5-172.32.1114.5N15 H159N15-R161 HydrophobicContact CB-CG 3.98Å; N15-R161 PolarHBondContact N-O 2.76Å; N15-R161 PolarHBondContact OD1-O 3.38Å; H159-R161 PolarHBondContact O-N 3.21Å
162N85.9Confident85Confident7 Ų769.2 Ų69.24%0.03732%0.318CS..G310 helixtrans-115.720.3-176.671.1-16.7000112.3Y47 C150 H159 K160Y47-N162 HydrophobicContact CE1-CB 4.24Å; C150-N162 PolarHBondContact N-O 2.86Å; C150-N162 PolarHBondContact O-ND2 2.85Å; H159-N162 WeakPolarHBondContact CB-OD1 3.14Å; H159-N162 PolarHBondContact O-N 2.87Å; H159-N162 PolarHBondContact O-OD1 2.84Å; K160-N162 PolarHBondContact O-N 2.98Å
163S88.3Confident84.9Confident15 Ų1566.4 Ų66.411%0.10530%0.304CS..EExtended strand (participates in β ladder)trans-118.5148.2174.954.60000111.1P14 A148 H159 K160P14-S163 WeakPolarHBondContact CD-O 3.19Å; A148-S163 CarbonylContact O-C 3.52Å; A148-S163 VanDerWaalsContact O-CA 3.23Å; A148-S163 WeakPolarHBondContact O-CA 3.39Å; H159-S163 WeakPolarHBondContact O-CB 3.3Å; H159-S163 PolarHBondContact O-N 3.3Å; H159-S163 PolarHBondContact O-OG 2.86Å; K160-S163 WeakPolarHBondContact CA-OG 3.21Å; K160-S163 PolarHBondContact O-N 3.26Å; K160-S163 PolarHBondContact O-OG 2.74Å
164V92.1Very high84.9Confident3 Ų361.9 Ų61.92%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-118.9133.1175.2-170.90000107.4K11 S13 L18 V20 K147 A148 L166K11-V164 HydrophobicContact CB-CG1 3.78Å; K11-V164 HydrophobicContact CD-CG1 3.99Å; K11-V164 HydrophobicContact CG-CG1 3.77Å; K11-V164 WeakPolarHBondContact O-CG1 3.43Å; S13-V164 VanDerWaalsContact N-CG2 3.34Å; L18-V164 HydrophobicContact CB-CG2 4.39Å; L18-V164 HydrophobicContact CD2-CG2 4.2Å; L18-V164 HydrophobicContact CG-CG2 4.11Å; L18-V164 WeakPolarHBondContact O-CG2 2.91Å; V20-V164 HydrophobicContact CB-CG1 4.42Å; V20-V164 HydrophobicContact CG2-CB 3.85Å; V20-V164 HydrophobicContact CG2-CG1 3.94Å; V20-V164 HydrophobicContact CG2-CG2 4.24Å; K147-V164 CarbonylContact C-O 3.53Å; K147-V164 VanDerWaalsContact CA-O 3.26Å; K147-V164 WeakPolarHBondContact CA-O 3.31Å; A148-V164 PolarHBondContact N-O 3.19Å; A148-V164 PolarHBondContact O-N 2.74Å; V164-L166 HydrophobicContact CB-CD1 4.46Å; V164-L166 HydrophobicContact CG1-CD1 3.7Å; V164-L166 HydrophobicContact CG1-CG 4.35Å
165R90.3Very high85Confident89 Ų8959.4 Ų59.434%0.33627%0.269SS..EExtended strand (participates in β ladder)trans-124123179.9-177.1-176.5-170.6-119.6-12.6110.5K11 E145K11-R165 VanDerWaalsContact CD-O 3.3Å; K11-R165 WeakPolarHBondContact CD-O 3.24Å; K11-R165 WeakPolarHBondContact CE-O 3.46Å; K11-R165 PolarHBondContact NZ-O 3.09Å; E145-R165 HydrophobicContact CG-CG 3.91Å; E145-R165 IonicContact OE1-CZ 3.75Å; E145-R165 IonicContact OE1-NE 2.7Å; E145-R165 PolarHBondContact OE1-NE 2.85Å; E145-R165 VanDerWaalsContact OE1-NE 3.15Å; E145-R165 IonicContact OE1-NH2 3.66Å; E145-R165 PolarHBondContact OE1-NH2 2.77Å; E145-R165 VanDerWaalsContact OE2-CD 3.23Å; E145-R165 WeakPolarHBondContact OE2-CD 3.46Å; E145-R165 VanDerWaalsContact OE2-CG 3.27Å; E145-R165 WeakPolarHBondContact OE2-CG 3.45Å; E145-R165 IonicContact OE2-CZ 2.71Å; E145-R165 IonicContact OE2-NE 3.38Å; E145-R165 PolarHBondContact OE2-NE 2.91Å; E145-R165 IonicContact OE2-NH2 3.71Å
166L89.8Confident84.6Confident1 Ų157.5 Ų57.51%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-124.3130178-51.693.3000108.8K11 V20 L22 E145 V146 V164 F391K11-L166 HydrophobicContact CB-CD2 3.79Å; K11-L166 HydrophobicContact CB-CG 4.11Å; K11-L166 HydrophobicContact CD-CG 4.22Å; V20-L166 HydrophobicContact CB-CD1 3.78Å; V20-L166 HydrophobicContact CB-CD2 4.34Å; V20-L166 HydrophobicContact CG1-CD1 3.81Å; V20-L166 HydrophobicContact CG1-CD2 4.28Å; V20-L166 HydrophobicContact CG2-CD1 3.94Å; L22-L166 HydrophobicContact CD1-CD2 4.05Å; E145-L166 WeakPolarHBondContact CA-O 3.35Å; V146-L166 HydrophobicContact CB-CB 4.43Å; V146-L166 PolarHBondContact N-O 3.19Å; V146-L166 PolarHBondContact O-N 3.07Å; V164-L166 HydrophobicContact CB-CD1 4.46Å; V164-L166 HydrophobicContact CG1-CD1 3.7Å; V164-L166 HydrophobicContact CG1-CG 4.35Å; L166-F391 HydrophobicContact CB-CD1 3.99Å; L166-F391 HydrophobicContact CB-CD2 4.48Å; L166-F391 HydrophobicContact CB-CE1 3.73Å; L166-F391 HydrophobicContact CB-CE2 4.22Å; L166-F391 HydrophobicContact CB-CG 4.38Å; L166-F391 HydrophobicContact CB-CZ 3.85Å; L166-F391 HydrophobicContact CD2-CB 4.02Å; L166-F391 HydrophobicContact CD2-CD1 4.05Å; L166-F391 HydrophobicContact CD2-CD2 3.56Å; L166-F391 HydrophobicContact CD2-CE1 4.45Å; L166-F391 HydrophobicContact CD2-CE2 3.99Å; L166-F391 HydrophobicContact CD2-CG 3.61Å; L166-F391 HydrophobicContact CD2-CZ 4.43Å; L166-F391 HydrophobicContact CG-CD1 4.31Å; L166-F391 HydrophobicContact CG-CG 4.35Å
167V90.1Very high84.4Confident42 Ų4264.3 Ų64.326%0.25528%0.283SS..EExtended strand (participates in β ladder)trans-100.3111.3176.1-178.50000108.6Y144 F391Y144-V167 CarbonylContact O-C 3.57Å; Y144-V167 WeakPolarHBondContact O-CA 3.43Å; V167-F391 WeakPolarHBondContact O-CE1 3.44Å; V167-F391 WeakPolarHBondContact O-CZ 3.35Å
168I91.9Very high84Confident1 Ų160.2 Ų60.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-94.9161.8176.964.2172000109.5L22 R25 F27 V37 L57 Y144 V146 F391L22-I168 HydrophobicContact CD1-CG2 3.99Å; R25-I168 CarbonylContact O-C 3.53Å; R25-I168 WeakPolarHBondContact O-CA 3.21Å; F27-I168 HydrophobicContact CD2-CB 4.06Å; F27-I168 HydrophobicContact CD2-CD1 3.76Å; F27-I168 HydrophobicContact CD2-CG1 4.37Å; F27-I168 HydrophobicContact CD2-CG2 4.49Å; F27-I168 HydrophobicContact CE2-CB 3.94Å; F27-I168 HydrophobicContact CE2-CD1 3.81Å; F27-I168 HydrophobicContact CE2-CG1 4.46Å; F27-I168 HydrophobicContact CE2-CG2 3.87Å; V37-I168 HydrophobicContact CG1-CD1 4.27Å; V37-I168 HydrophobicContact CG2-CD1 3.65Å; L57-I168 HydrophobicContact CD1-CD1 3.89Å; Y144-I168 PolarHBondContact O-N 3.26Å; V146-I168 HydrophobicContact CG2-CD1 3.81Å; V146-I168 HydrophobicContact CG2-CG1 4.21Å; V146-I168 HydrophobicContact CG2-CG2 4.01Å; I168-F391 HydrophobicContact CG2-CE2 4.33Å; I168-F391 HydrophobicContact CG2-CZ 3.93Å
169R90.9Very high83.6Confident18 Ų1859.1 Ų59.17%0.06828%0.277CS..EExtended strand (participates in β ladder)trans-110.6136.9172.8-66.8-172.3-68.1-172.71.5110.9R25 D26 F27 S126 V171 D290 D297 R393R25-R169 PolarHBondContact O-N 3.19Å; D26-R169 CarbonylContact C-O 3.48Å; D26-R169 WeakPolarHBondContact CA-O 3.1Å; D26-R169 WeakPolarHBondContact OD1-CB 3.19Å; D26-R169 IonicContact OD1-CZ 2.86Å; D26-R169 IonicContact OD1-NE 3.77Å; D26-R169 PolarHBondContact OD1-NE 3.28Å; D26-R169 IonicContact OD1-NH2 2.84Å; D26-R169 PolarHBondContact OD1-NH2 3.23Å; D26-R169 IonicContact OD2-CZ 2.76Å; D26-R169 IonicContact OD2-NE 2.9Å; D26-R169 IonicContact OD2-NH2 3.15Å; D26-R169 PolarHBondContact OD2-NH2 2.97Å; F27-R169 PolarHBondContact N-O 3.32Å; S126-R169 WeakPolarHBondContact OG-CA 3.42Å; R169-V171 HydrophobicContact CB-CG1 4.07Å; R169-D290 WeakPolarHBondContact CD-O 3.34Å; R169-D290 IonicContact NH1-OD1 3.09Å; R169-D297 IonicContact CZ-OD2 3.63Å; R169-D297 PolarHBondContact NH1-O 2.68Å; R169-D297 PolarHBondContact NH2-O 3.16Å; R169-D297 IonicContact NH2-OD2 2.63Å; R169-D297 PolarHBondContact NH2-OD2 3.03Å; R169-R393 VanDerWaalsContact CZ-NH1 3.32Å
170K90.6Very high83.8Confident1 Ų159 Ų590%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-93.7114.7161.5-174.8-175.9176-169.70107.8F27 D29 I119 P121 L123 C125 S126 Y144F27-K170 WeakPolarHBondContact O-CA 3.27Å; D29-K170 HydrophobicContact CB-CG 4.43Å; D29-K170 VanDerWaalsContact CG-CE 3.47Å; D29-K170 WeakPolarHBondContact OD2-CE 3.27Å; D29-K170 IonicContact OD2-NZ 3.35Å; D29-K170 PolarHBondContact OD2-NZ 3.08Å; I119-K170 HydrophobicContact CG2-CD 4.19Å; P121-K170 PolarHBondContact O-NZ 3.37Å; L123-K170 PolarHBondContact O-NZ 3.05Å; C125-K170 WeakPolarHBondContact CB-O 3.36Å; S126-K170 PolarHBondContact N-O 3.11Å; S126-K170 PolarHBondContact OG-N 2.99Å; Y144-K170 HydrophobicContact CD2-CB 3.92Å; Y144-K170 HydrophobicContact CE1-CB 4.5Å; Y144-K170 HydrophobicContact CE1-CD 4.41Å; Y144-K170 HydrophobicContact CE2-CB 3.56Å; Y144-K170 HydrophobicContact CE2-CD 4.15Å; Y144-K170 HydrophobicContact CE2-CG 4.47Å; Y144-K170 VanDerWaalsContact OH-CD 3.22Å; Y144-K170 WeakPolarHBondContact OH-CD 3.23Å
171V87.9Confident84.1Confident14 Ų1457.3 Ų57.39%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-115.7144.2-177.5-630000110.4D26 F27 V28 D29 R169D26-V171 HydrophobicContact CB-CG1 4.42Å; D26-V171 HydrophobicContact CB-CG2 4.3Å; F27-V171 PolarHBondContact O-N 3.31Å; V28-V171 CarbonylContact C-O 3.57Å; V28-V171 WeakPolarHBondContact CA-O 3.48Å; V28-V171 HydrophobicContact CG2-CG2 4.37Å; D29-V171 PolarHBondContact N-O 2.65Å; R169-V171 HydrophobicContact CB-CG1 4.07Å
172Q83.8Confident84.4Confident15 Ų1549.4 Ų49.47%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-111130.7177.6-158.3173.624.200110.1D29 M352D29-Q172 HydrophobicContact CB-CB 4.37Å; D29-Q172 HydrophobicContact CB-CG 4.18Å; Q172-M352 HydrophobicContact CB-CE 3.71Å; Q172-M352 HydrophobicContact CG-CE 3.43Å; Q172-M352 VanDerWaalsContact CG-CE 3.43Å
173Y82.4Confident84.7Confident44 Ų4453.7 Ų53.717%0.17328%0.28CS..BIsolated β-bridgetrans-92.2157171.8-67-48.4000111.6V28 M352 H353 P354 K355 P356V28-Y173 HydrophobicContact CB-CD2 4.25Å; V28-Y173 HydrophobicContact CB-CE2 3.98Å; V28-Y173 HydrophobicContact CG1-CD2 3.18Å; V28-Y173 HydrophobicContact CG1-CE2 3.4Å; V28-Y173 HydrophobicContact CG1-CG 4.18Å; V28-Y173 HydrophobicContact CG2-CD2 4.06Å; V28-Y173 HydrophobicContact CG2-CE2 3.29Å; Y173-M352 WeakPolarHBondContact O-CE 3.46Å; Y173-H353 HydrophobicContact CD1-CB 3.4Å; Y173-H353 WeakPolarHBondContact CD1-O 3.48Å; Y173-H353 HydrophobicContact CE1-CB 3.52Å; Y173-P354 WeakPolarHBondContact CD1-O 3.42Å; Y173-P354 VanDerWaalsContact CE1-O 3.24Å; Y173-P354 WeakPolarHBondContact CE1-O 3.45Å; Y173-K355 HydrophobicContact CD2-CG 4.34Å; Y173-K355 HydrophobicContact CG-CG 4.19Å; Y173-P356 HydrophobicContact CE2-CG 3.84Å; Y173-P356 VanDerWaalsContact CZ-CD 3.42Å
174A78.6Confident85Confident1 Ų154.1 Ų54.11%0.00828%0.284CS..PPolyproline II helixtrans-59.4140.8174.300000111.9I207 Y209 M352 H353 K355A174-I207 HydrophobicContact CB-CG2 3.77Å; A174-Y209 HydrophobicContact CB-CD1 4.42Å; A174-Y209 HydrophobicContact CB-CE1 3.51Å; A174-M352 HydrophobicContact CB-CB 4.11Å; A174-M352 HydrophobicContact CB-SD 4.4Å; A174-H353 PolarHBondContact N-O 3Å; A174-H353 VanDerWaalsContact N-O 3.08Å; A174-K355 VanDerWaalsContact O-CE 3.26Å; A174-K355 WeakPolarHBondContact O-CE 3.41Å
175P76.8Confident85.1Confident43 Ų4360.3 Ų60.328%0.27931%0.313SS..PPolyproline II helixtrans-62.6151.816628.2-33.7000110.6I31 R177 I207I31-P175 HydrophobicContact CD1-CB 4.36Å; P175-R177 VanDerWaalsContact C-N 3.3Å; P175-R177 PolarHBondContact O-N 3.5Å; P175-I207 HydrophobicContact CG-CD1 3.71Å
176E68.2Low85.3Confident152 Ų15258.4 Ų58.471%0.7131%0.311SS*.SBendtrans-71.4-23.5-175.8-80.4165.8-149.200114.1P178 K355E176-P178 VanDerWaalsContact O-CD 3.27Å; E176-P178 WeakPolarHBondContact O-CD 3.42Å; E176-K355 HydrophobicContact CG-CD 4.15Å; E176-K355 IonicContact OE1-NZ 3.41Å; E176-K355 PolarHBondContact OE1-NZ 2.93Å
177R72.6Confident85.4Confident220 Ų22062 Ų6283%0.8333%0.333SS*.SBendtrans-95.5108.8-178.2-65.1-175-175.5178.92.4109.2P175 G179P175-R177 VanDerWaalsContact C-N 3.3Å; P175-R177 PolarHBondContact O-N 3.5Å; R177-G179 PolarHBondContact O-N 3.21Å
178P69.4Low85.2Confident95 Ų9567.1 Ų67.162%0.61735%0.348SS*.  trans-65.7133.3168.628.5-32.1000108.3E176E176-P178 VanDerWaalsContact O-CD 3.27Å; E176-P178 WeakPolarHBondContact O-CD 3.42Å
179G75.8Confident84.9Confident33 Ų3373.7 Ų73.734%0.3438%0.379SS..  trans-81.4-171.6171.400000112.1R177 E206R177-G179 PolarHBondContact O-N 3.21Å; G179-E206 WeakPolarHBondContact CA-OE2 3.48Å; G179-E206 PolarHBondContact N-OE2 3.2Å
180P86.5Confident84.3Confident109 Ų10974 Ų7471%0.70838%0.38SS*.PPolyproline II helixtrans-66.7154.1-172.429.1-35000112P182P180-P182 VanDerWaalsContact O-CD 3.26Å; P180-P182 WeakPolarHBondContact O-CD 3.23Å
181Q88Confident83.2Confident118 Ų11882.9 Ų82.955%0.55143%0.427SS*.PPolyproline II helixtrans-59.4123.4176.4-73.3-179.8-0.600110.8T183 D204Q181-T183 PolarHBondContact O-N 3.35Å; Q181-D204 WeakPolarHBondContact CG-O 3.12Å; Q181-D204 PolarHBondContact NE2-O 3.15Å
182P92Very high82.2Confident17 Ų1789.3 Ų89.311%0.1146%0.458CS..PPolyproline II helixtrans-64.1123.6174.5-23.233.2000111P180 S202 L203 E206 L347P180-P182 VanDerWaalsContact O-CD 3.26Å; P180-P182 WeakPolarHBondContact O-CD 3.23Å; P182-S202 VanDerWaalsContact O-CA 3.27Å; P182-S202 WeakPolarHBondContact O-CA 2.98Å; P182-L203 HydrophobicContact CB-CB 4.39Å; P182-L203 HydrophobicContact CB-CD1 4.2Å; P182-L203 HydrophobicContact CB-CG 4.38Å; P182-L203 HydrophobicContact CG-CB 4.33Å; P182-L203 HydrophobicContact CG-CD1 4.2Å; P182-L203 PolarHBondContact O-N 3.01Å; P182-E206 HydrophobicContact CG-CB 4.12Å; P182-E206 HydrophobicContact CG-CG 4.22Å; P182-L347 HydrophobicContact CB-CB 4.46Å; P182-L347 HydrophobicContact CB-CD2 4.43Å; P182-L347 WeakPolarHBondContact O-CD2 3Å
183T92.9Very high81.4Confident97 Ų9789 Ų8960%0.59546%0.457SS*.EExtended strand (participates in β ladder)trans-127137.5175.858.60000110.3Q181 A201Q181-T183 PolarHBondContact O-N 3.35Å; T183-A201 WeakPolarHBondContact CA-O 3.43Å
184A94.6Very high80.9Confident24 Ų2494.7 Ų94.720%0.19849%0.491CS..EExtended strand (participates in β ladder)trans-140.9133.117500000110.6A201 V345 L347A184-A201 PolarHBondContact N-O 2.85Å; A184-A201 PolarHBondContact O-N 3.27Å; A184-V345 HydrophobicContact CB-CB 4.18Å; A184-L347 HydrophobicContact CB-CD2 4.07Å; A184-L347 HydrophobicContact CB-CG 3.89Å
185E94.5Very high81.2Confident132 Ų132100.4 Ų100.462%0.61752%0.515SS*.EExtended strand (participates in β ladder)trans-125.5151.8177.460.6171.2-146.400111.6H198 L199 E200E185-H198 IonicContact OE2-CE1 3Å; E185-H198 IonicContact OE2-NE2 3.53Å; E185-L199 CarbonylContact C-O 3.53Å; E185-L199 VanDerWaalsContact CA-O 3.28Å; E185-L199 WeakPolarHBondContact CA-O 3.46Å; E185-E200 HydrophobicContact CB-CB 4.28Å; E185-E200 HydrophobicContact CB-CG 4.37Å
186T93.8Very high81.9Confident49 Ų49100.1 Ų100.130%0.30151%0.514SS..EExtended strand (participates in β ladder)trans-147.8144.4171.2-163.70000110.5L199 V343 V345T186-L199 HydrophobicContact CG2-CB 4.13Å; T186-L199 HydrophobicContact CG2-CD2 4.36Å; T186-L199 PolarHBondContact N-O 2.67Å; T186-L199 PolarHBondContact O-N 3.28Å; T186-V343 HydrophobicContact CG2-CG1 3.49Å; T186-V343 VanDerWaalsContact CG2-CG1 3.49Å; T186-V345 HydrophobicContact CG2-CG1 3.43Å; T186-V345 VanDerWaalsContact CG2-CG1 3.43Å
187T91.4Very high83Confident77 Ų7792.9 Ų92.947%0.47248%0.48SS..EExtended strand (participates in β ladder)trans-119.2123.4177.2-57.50000108.8P196 L197 H198T187-P196 HydrophobicContact CG2-CB 3.49Å; T187-P196 VanDerWaalsContact CG2-CB 3.49Å; T187-P196 HydrophobicContact CG2-CG 4.42Å; T187-L197 WeakPolarHBondContact CA-O 3.47Å; T187-H198 PolarHBondContact OG1-ND1 3.17Å
188R87.5Confident84Confident150 Ų15084.3 Ų84.357%0.56645%0.449SS*.EExtended strand (participates in β ladder)trans-115128178-167.270.1179.6-156.20.3111.1F190 L197 V343R188-F190 HydrophobicContact CG-CE1 4.27Å; R188-F190 HydrophobicContact CG-CE2 4.47Å; R188-F190 HydrophobicContact CG-CZ 4.14Å; R188-L197 PolarHBondContact N-O 3.04Å; R188-L197 PolarHBondContact O-N 2.93Å; R188-V343 HydrophobicContact CB-CG1 4.36Å; R188-V343 HydrophobicContact CB-CG2 3.71Å; R188-V343 HydrophobicContact CG-CG2 3.92Å
189Q84.1Confident85.3Confident139 Ų13979.8 Ų79.865%0.6542%0.42SS*.EExtended strand (participates in β ladder)trans-100.9145.5166.8-66.9176.8-12.400109.5P196Q189-P196 HydrophobicContact CG-CB 4.18Å
190F78.8Confident86.3Confident23 Ų2381.6 Ų81.610%0.10142%0.419CS..EExtended strand (participates in β ladder)trans-113.4142.7-178.7-62.2-85.2000109.8R188 M192 S193 L197 T224 K226 V329 V343R188-F190 HydrophobicContact CG-CE1 4.27Å; R188-F190 HydrophobicContact CG-CE2 4.47Å; R188-F190 HydrophobicContact CG-CZ 4.14Å; F190-M192 PolarHBondContact O-N 3.46Å; F190-S193 PolarHBondContact O-N 3.37Å; F190-L197 HydrophobicContact CE2-CB 3.93Å; F190-L197 HydrophobicContact CE2-CD2 4.23Å; F190-L197 HydrophobicContact CZ-CD2 4.25Å; F190-T224 HydrophobicContact CD2-CG2 4.05Å; F190-T224 HydrophobicContact CE2-CG2 4.04Å; F190-K226 HydrophobicContact CD1-CD 4.37Å; F190-K226 HydrophobicContact CD2-CD 4.26Å; F190-K226 HydrophobicContact CG-CD 4.17Å; F190-V329 HydrophobicContact CZ-CB 4.41Å; F190-V329 HydrophobicContact CZ-CG1 4.14Å; F190-V329 HydrophobicContact CZ-CG2 4.2Å; F190-V343 HydrophobicContact CZ-CG2 4.13Å
191L68.6Low86.8Confident189 Ų18976.4 Ų76.499%0.9939%0.386SS*.THydrogen-bonded Turntrans-56.2-15.8-178-92.3115.7000115.7
192M66.1Low87.2Confident148 Ų14871.8 Ų71.873%0.72937%0.366SS*.THydrogen-bonded Turntrans-123.623.1177.9-63-168.817600112.7F190 N225F190-M192 PolarHBondContact O-N 3.46Å; M192-N225 PolarHBondContact O-ND2 2.86Å
193S67.9Low87.4Confident8 Ų871 Ų716%0.05636%0.361CS..EExtended strand (participates in β ladder)trans-144.5117.2171.7-169.60000109.5F190 K195 N225F190-S193 PolarHBondContact O-N 3.37Å; S193-K195 PolarHBondContact O-N 3.37Å; S193-K195 VanDerWaalsContact O-N 3.17Å; S193-N225 WeakPolarHBondContact CB-OD1 3.43Å; S193-N225 PolarHBondContact OG-N 2.79Å; S193-N225 PolarHBondContact OG-OD1 3.41Å
194D70.7Confident87.4Confident165 Ų16568.6 Ų68.688%0.88235%0.345SS*.EExtended strand (participates in β ladder)trans-74.7-1.1-178.8-52.8-33.7000113.1
195K85.7Confident87.2Confident120 Ų12071.4 Ų71.452%0.52235%0.353SS..EExtended strand (participates in β ladder)trans-114146.3-178.5-65.9-175.8178.4-175.70110.8S193 N223 T224S193-K195 PolarHBondContact O-N 3.37Å; S193-K195 VanDerWaalsContact O-N 3.17Å; K195-N223 HydrophobicContact CB-CB 4.05Å; K195-N223 WeakPolarHBondContact CB-O 3.35Å; K195-N223 HydrophobicContact CD-CB 4.48Å; K195-N223 WeakPolarHBondContact CD-O 3.26Å; K195-T224 WeakPolarHBondContact O-CG2 3.42Å
196P90Very high87Confident38 Ų3868.2 Ų68.225%0.24734%0.338CS..EExtended strand (participates in β ladder)trans-84.1153.6-17631.7-34.5000114T187 Q189 N223 T224T187-P196 HydrophobicContact CG2-CB 3.49Å; T187-P196 VanDerWaalsContact CG2-CB 3.49Å; T187-P196 HydrophobicContact CG2-CG 4.42Å; Q189-P196 HydrophobicContact CG-CB 4.18Å; P196-N223 WeakPolarHBondContact O-CB 3.33Å; P196-N223 PolarHBondContact O-N 3.41Å; P196-T224 VanDerWaalsContact C-CG2 3.47Å
197L91.9Very high86.9Confident0 Ų066.7 Ų66.70%033%0.328CS..EExtended strand (participates in β ladder)trans-101.1118.9160.3178.261.9000108.1T187 R188 F190 V220 N222 T224 V228 L327 V329 V343T187-L197 WeakPolarHBondContact CA-O 3.47Å; R188-L197 PolarHBondContact N-O 3.04Å; R188-L197 PolarHBondContact O-N 2.93Å; F190-L197 HydrophobicContact CE2-CB 3.93Å; F190-L197 HydrophobicContact CE2-CD2 4.23Å; F190-L197 HydrophobicContact CZ-CD2 4.25Å; L197-V220 HydrophobicContact CD1-CG1 3.69Å; L197-N222 HydrophobicContact CD1-CB 3.62Å; L197-T224 HydrophobicContact CB-CG2 3.64Å; L197-V228 HydrophobicContact CD1-CG2 4.44Å; L197-V228 HydrophobicContact CD2-CG2 4.37Å; L197-L327 HydrophobicContact CD2-CD1 4.19Å; L197-V329 HydrophobicContact CD2-CG2 3.68Å; L197-V343 HydrophobicContact CD2-CG2 4.06Å
198H94.4Very high86.9Confident39 Ų3963 Ų6318%0.18131%0.305CS..EExtended strand (participates in β ladder)trans-104.9129.1177-174.175.2000109.8E185 T187 V220 T221E185-H198 IonicContact OE2-CE1 3Å; E185-H198 IonicContact OE2-NE2 3.53Å; T187-H198 PolarHBondContact OG1-ND1 3.17Å; H198-V220 WeakPolarHBondContact O-CA 3.42Å; H198-T221 PolarHBondContact N-O 3.37Å; H198-T221 PolarHBondContact O-N 3.35Å
199L96.1Very high87.1Confident0 Ų060 Ų600%029%0.294CS..EExtended strand (participates in β ladder)trans-122.6121.9176.2165.864.5000107.7E185 T186 V218 V220 V325 L327 V343 V345E185-L199 CarbonylContact C-O 3.53Å; E185-L199 VanDerWaalsContact CA-O 3.28Å; E185-L199 WeakPolarHBondContact CA-O 3.46Å; T186-L199 HydrophobicContact CG2-CB 4.13Å; T186-L199 HydrophobicContact CG2-CD2 4.36Å; T186-L199 PolarHBondContact N-O 2.67Å; T186-L199 PolarHBondContact O-N 3.28Å; L199-V218 HydrophobicContact CD1-CG1 3.93Å; L199-V220 HydrophobicContact CD1-CG2 3.98Å; L199-V325 HydrophobicContact CD1-CG1 4.18Å; L199-L327 HydrophobicContact CB-CD1 3.93Å; L199-L327 HydrophobicContact CD1-CD1 3.99Å; L199-L327 HydrophobicContact CD1-CD2 4.28Å; L199-L327 HydrophobicContact CD1-CG 4.17Å; L199-L327 HydrophobicContact CD2-CD1 4Å; L199-L327 HydrophobicContact CD2-CG 3.92Å; L199-L327 HydrophobicContact CG-CD1 4.19Å; L199-L327 HydrophobicContact CG-CG 4.5Å; L199-V343 HydrophobicContact CB-CG1 4.36Å; L199-V343 HydrophobicContact CD2-CG1 4.14Å; L199-V345 HydrophobicContact CD2-CB 4.49Å; L199-V345 HydrophobicContact CD2-CG1 4.08Å; L199-V345 HydrophobicContact CD2-CG2 3.89Å; L199-V345 HydrophobicContact CG-CG1 4.25Å; L199-V345 HydrophobicContact CG-CG2 4.09Å
200E96.5Very high87.4Confident71 Ų7154.9 Ų54.933%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-120.8139.4172.6180-172.9177.900108.1E185 H219E185-E200 HydrophobicContact CB-CB 4.28Å; E185-E200 HydrophobicContact CB-CG 4.37Å; E200-H219 HydrophobicContact CB-CB 4.26Å; E200-H219 PolarHBondContact N-O 2.85Å; E200-H219 PolarHBondContact O-N 3.33Å; E200-H219 VanDerWaalsContact O-O 3.04Å
201A96.9Very high87.9Confident1 Ų155.2 Ų55.21%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-136.4150.8171.900000110.3T183 A184 N217 V325 V345 L347T183-A201 WeakPolarHBondContact CA-O 3.43Å; A184-A201 PolarHBondContact N-O 2.85Å; A184-A201 PolarHBondContact O-N 3.27Å; A201-N217 CarbonylContact C-O 3.58Å; A201-N217 WeakPolarHBondContact CA-O 3.49Å; A201-V325 HydrophobicContact CB-CG2 3.99Å; A201-V345 HydrophobicContact CB-CG2 3.86Å; A201-L347 HydrophobicContact CB-CD1 3.76Å; A201-L347 HydrophobicContact CB-CD2 4.39Å; A201-L347 VanDerWaalsContact O-CD2 3.32Å; A201-L347 WeakPolarHBondContact O-CD2 3.42Å
202S96.4Very high89Confident20 Ų2048 Ų4814%0.1424%0.241CC..EExtended strand (participates in β ladder)trans-144.1154.3175.365.70000112.2P182 N217P182-S202 VanDerWaalsContact O-CA 3.27Å; P182-S202 WeakPolarHBondContact O-CA 2.98Å; S202-N217 PolarHBondContact N-O 3.26Å; S202-N217 PolarHBondContact O-N 2.99Å; S202-N217 WeakPolarHBondContact OG-CB 3.09Å; S202-N217 PolarHBondContact OG-ND2 2.95Å; S202-N217 VanDerWaalsContact OG-ND2 3.13Å
203L96Very high90.4Very high0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-107.1150.6174.3-59.7-176.6000110.4P182 K205 Y208 I214 V216 V323 L347 F349P182-L203 HydrophobicContact CB-CB 4.39Å; P182-L203 HydrophobicContact CB-CD1 4.2Å; P182-L203 HydrophobicContact CB-CG 4.38Å; P182-L203 HydrophobicContact CG-CB 4.33Å; P182-L203 HydrophobicContact CG-CD1 4.2Å; P182-L203 PolarHBondContact O-N 3.01Å; L203-K205 VanDerWaalsContact C-N 3.33Å; L203-Y208 HydrophobicContact CD1-CE2 4.38Å; L203-I214 HydrophobicContact CD2-CG2 4.13Å; L203-V216 HydrophobicContact CD2-CB 4.25Å; L203-V216 HydrophobicContact CD2-CG1 4.18Å; L203-V216 HydrophobicContact CD2-CG2 3.79Å; L203-V323 HydrophobicContact CD1-CG2 4.16Å; L203-V323 HydrophobicContact CD2-CB 4.29Å; L203-V323 HydrophobicContact CD2-CG1 4.46Å; L203-V323 HydrophobicContact CD2-CG2 3.94Å; L203-L347 HydrophobicContact CD1-CB 4.11Å; L203-L347 HydrophobicContact CG-CB 4.26Å; L203-L347 HydrophobicContact CG-CD2 4.28Å; L203-F349 HydrophobicContact CD1-CB 3.85Å; L203-F349 HydrophobicContact CD1-CD1 4.34Å; L203-F349 HydrophobicContact CD1-CG 4.38Å
204D92.8Very high91.7Very high48 Ų4843.7 Ų43.726%0.25722%0.224SC..SBendtrans-71.4-29.4178.762.3-62.8000113Q181 Y208 S215Q181-D204 WeakPolarHBondContact CG-O 3.12Å; Q181-D204 PolarHBondContact NE2-O 3.15Å; D204-Y208 PolarHBondContact N-OH 3.28Å; D204-Y208 PolarHBondContact OD1-OH 2.71Å; D204-S215 PolarHBondContact N-O 3.12Å; D204-S215 VanDerWaalsContact OD1-CB 3.24Å; D204-S215 WeakPolarHBondContact OD1-CB 3.2Å; D204-S215 PolarHBondContact OD1-N 3.32Å; D204-S215 VanDerWaalsContact OD1-N 3.11Å
205K91.3Very high92.9Very high83 Ų8337.4 Ų37.436%0.36119%0.193SC..  trans-138.7158.7177.6-56.3174.5-164.1174.70111.5L203 Y208 E212L203-K205 VanDerWaalsContact C-N 3.33Å; K205-Y208 HydrophobicContact CB-CE1 4.15Å; K205-Y208 HydrophobicContact CB-CE2 4.28Å; K205-Y208 PolarHBondContact N-OH 2.91Å; K205-Y208 WeakPolarHBondContact O-CE2 3.49Å; K205-Y208 PolarHBondContact O-OH 3.28Å; K205-E212 IonicContact NZ-OE1 3.35Å; K205-E212 PolarHBondContact NZ-OE1 3.05Å
206E90.4Very high93.5Very high64 Ų6431.7 Ų31.730%0.29917%0.168SC..SBendtrans-83.7-35.4168.6-173.5-177.7-176.300112.3G179 P182 F349 T350G179-E206 WeakPolarHBondContact CA-OE2 3.48Å; G179-E206 PolarHBondContact N-OE2 3.2Å; P182-E206 HydrophobicContact CG-CB 4.12Å; P182-E206 HydrophobicContact CG-CG 4.22Å; E206-F349 WeakPolarHBondContact O-CA 3.33Å; E206-F349 WeakPolarHBondContact O-CB 3.39Å; E206-T350 PolarHBondContact O-N 2.8Å
207I91.6Very high93.8Very high18 Ų1832.3 Ų32.39%0.09217%0.169CC..EExtended strand (participates in β ladder)trans-112127.7-175.9-53.2174.8000109A174 P175 T350A174-I207 HydrophobicContact CB-CG2 3.77Å; P175-I207 HydrophobicContact CG-CD1 3.71Å; I207-T350 CarbonylContact C-O 3.59Å; I207-T350 WeakPolarHBondContact CA-O 3.36Å; I207-T350 HydrophobicContact CG1-CG2 4.34Å; I207-T350 HydrophobicContact CG2-CG2 4.32Å
208Y92.2Very high94Very high0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-121150174.4-64.8-89.1000110.7L203 D204 K205 E212 I214 F349 T350 L351 M352L203-Y208 HydrophobicContact CD1-CE2 4.38Å; D204-Y208 PolarHBondContact N-OH 3.28Å; D204-Y208 PolarHBondContact OD1-OH 2.71Å; K205-Y208 HydrophobicContact CB-CE1 4.15Å; K205-Y208 HydrophobicContact CB-CE2 4.28Å; K205-Y208 PolarHBondContact N-OH 2.91Å; K205-Y208 WeakPolarHBondContact O-CE2 3.49Å; K205-Y208 PolarHBondContact O-OH 3.28Å; Y208-E212 HydrophobicContact CD1-CG 4.41Å; Y208-I214 HydrophobicContact CD1-CB 4.37Å; Y208-I214 HydrophobicContact CD1-CG1 3.79Å; Y208-I214 HydrophobicContact CD2-CG1 4.23Å; Y208-I214 HydrophobicContact CE1-CB 4.14Å; Y208-I214 HydrophobicContact CE1-CG1 4.05Å; Y208-I214 HydrophobicContact CE1-CG2 4.07Å; Y208-I214 HydrophobicContact CE2-CG1 4.46Å; Y208-I214 HydrophobicContact CE2-CG2 4.05Å; Y208-I214 HydrophobicContact CG-CG1 3.88Å; Y208-F349 HydrophobicContact CD2-CB 4.29Å; Y208-F349 AromaticContact CD2-CD2 3.61Å; Y208-F349 HydrophobicContact CD2-CD2 3.61Å; Y208-F349 HydrophobicContact CD2-CE2 4.23Å; Y208-F349 HydrophobicContact CD2-CG 4.18Å; Y208-F349 HydrophobicContact CE2-CB 4.26Å; Y208-F349 HydrophobicContact CE2-CD2 4.26Å; Y208-F349 HydrophobicContact CE2-CG 4.4Å; Y208-T350 PolarHBondContact N-O 3.38Å; Y208-L351 WeakPolarHBondContact O-CA 3.24Å; Y208-M352 PolarHBondContact O-N 2.76Å
209Y91.6Very high94.1Very high86 Ų8633.3 Ų33.334%0.33717%0.174SC..EExtended strand (participates in β ladder)trans-90.7153.5172.6-58.7-59.7000112.4A174 G211 E212 M352 P354A174-Y209 HydrophobicContact CB-CD1 4.42Å; A174-Y209 HydrophobicContact CB-CE1 3.51Å; Y209-G211 PolarHBondContact O-N 3.19Å; Y209-E212 VanDerWaalsContact CD2-OE2 3.3Å; Y209-E212 WeakPolarHBondContact CD2-OE2 3.24Å; Y209-E212 PolarHBondContact N-OE2 2.86Å; Y209-E212 WeakPolarHBondContact O-CB 3.47Å; Y209-E212 PolarHBondContact O-N 2.78Å; Y209-M352 VanDerWaalsContact CA-O 3.31Å; Y209-M352 WeakPolarHBondContact CA-O 3.37Å; Y209-P354 VanDerWaalsContact CD1-CA 3.44Å; Y209-P354 HydrophobicContact CD1-CB 3.72Å; Y209-P354 HydrophobicContact CD1-CG 4.42Å; Y209-P354 HydrophobicContact CD2-CB 4.46Å; Y209-P354 VanDerWaalsContact CE1-CA 3.43Å; Y209-P354 HydrophobicContact CE1-CB 3.91Å; Y209-P354 HydrophobicContact CG-CB 4.01Å
210H90.6Very high94.1Very high32 Ų3233.3 Ų33.315%0.14817%0.174CC..THydrogen-bonded Turntrans-55.8126.5171-70.1-69000110.8E212 L300 S302 L351 M352 H353H210-E212 VanDerWaalsContact C-N 3.29Å; H210-E212 PolarHBondContact O-N 3.02Å; H210-L300 PolarHBondContact CE1-O 2.95Å; H210-L300 PolarHBondContact NE2-O 2.77Å; H210-S302 PolarHBondContact NE2-OG 2.83Å; H210-S302 VanDerWaalsContact NE2-OG 3.12Å; H210-L351 VanDerWaalsContact CE1-CD2 3.49Å; H210-L351 WeakPolarHBondContact CE1-CD2 3.23Å; H210-M352 PolarHBondContact CD2-O 2.76Å; H210-M352 PolarHBondContact N-O 2.81Å; H210-H353 AromaticContact CD2-CD2 3.89Å; H210-H353 AromaticContact CD2-CE1 3.35Å; H210-H353 PolarHBondContact CD2-CE1 2.59Å; H210-H353 AromaticContact CD2-CG 3.78Å; H210-H353 AromaticContact CD2-ND1 3.46Å; H210-H353 PolarHBondContact CD2-ND1 2.9Å; H210-H353 AromaticContact CD2-NE2 3.62Å; H210-H353 AromaticContact NE2-CE1 3.54Å; H210-H353 AromaticContact NE2-ND1 3.66Å
211G88.3Confident94.1Very high29 Ų2931.4 Ų31.430%0.29917%0.167SC..THydrogen-bonded Turntrans82.6-4.9-176.200000115.5Y209 T275Y209-G211 PolarHBondContact O-N 3.19Å; G211-T275 WeakPolarHBondContact O-CG2 3.46Å
212E92.4Very high93.9Very high38 Ų3831.4 Ų31.418%0.17817%0.167CC..PPolyproline II helixtrans-75.5134.7173.2-170.4177.3-176.400110.9K205 Y208 Y209 H210K205-E212 IonicContact NZ-OE1 3.35Å; K205-E212 PolarHBondContact NZ-OE1 3.05Å; Y208-E212 HydrophobicContact CD1-CG 4.41Å; Y209-E212 VanDerWaalsContact CD2-OE2 3.3Å; Y209-E212 WeakPolarHBondContact CD2-OE2 3.24Å; Y209-E212 PolarHBondContact N-OE2 2.86Å; Y209-E212 WeakPolarHBondContact O-CB 3.47Å; Y209-E212 PolarHBondContact O-N 2.78Å; H210-E212 VanDerWaalsContact C-N 3.29Å; H210-E212 PolarHBondContact O-N 3.02Å
213P94.4Very high93.6Very high65 Ų6533.8 Ų33.842%0.42218%0.178SC..PPolyproline II helixtrans-67.7135172.3-16.229.9000112.1T273P213-T273 HydrophobicContact CB-CG2 3.52Å
214I95.9Very high93.3Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-97.2121.6177.8-57.7174000108.6L203 Y208 V216 V235 T273 L274 P276 V323 F349L203-I214 HydrophobicContact CD2-CG2 4.13Å; Y208-I214 HydrophobicContact CD1-CB 4.37Å; Y208-I214 HydrophobicContact CD1-CG1 3.79Å; Y208-I214 HydrophobicContact CD2-CG1 4.23Å; Y208-I214 HydrophobicContact CE1-CB 4.14Å; Y208-I214 HydrophobicContact CE1-CG1 4.05Å; Y208-I214 HydrophobicContact CE1-CG2 4.07Å; Y208-I214 HydrophobicContact CE2-CG1 4.46Å; Y208-I214 HydrophobicContact CE2-CG2 4.05Å; Y208-I214 HydrophobicContact CG-CG1 3.88Å; I214-V216 HydrophobicContact CG2-CG2 4.14Å; I214-V235 HydrophobicContact CD1-CG2 4.22Å; I214-T273 WeakPolarHBondContact O-CA 3.26Å; I214-L274 WeakPolarHBondContact CB-O 3.44Å; I214-L274 PolarHBondContact N-O 3.28Å; I214-L274 PolarHBondContact O-N 2.82Å; I214-P276 HydrophobicContact CD1-CG 3.97Å; I214-V323 HydrophobicContact CG2-CG2 4.29Å; I214-F349 HydrophobicContact CD1-CE1 4.29Å; I214-F349 HydrophobicContact CD1-CE2 3.73Å; I214-F349 HydrophobicContact CD1-CZ 3.58Å
215S96.1Very high93Very high33 Ų3336.3 Ų36.323%0.23119%0.192CC..EExtended strand (participates in β ladder)trans-94.5121.8176.6-51.60000110.5D204 Y272D204-S215 PolarHBondContact N-O 3.12Å; D204-S215 VanDerWaalsContact OD1-CB 3.24Å; D204-S215 WeakPolarHBondContact OD1-CB 3.2Å; D204-S215 PolarHBondContact OD1-N 3.32Å; D204-S215 VanDerWaalsContact OD1-N 3.11Å; S215-Y272 WeakPolarHBondContact CA-O 3.39Å
216V97.1Very high92.7Very high0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-113.4107.5-177.9-170.40000108.8L203 I214 V218 I233 V271 Y272 L274 V323 V325L203-V216 HydrophobicContact CD2-CB 4.25Å; L203-V216 HydrophobicContact CD2-CG1 4.18Å; L203-V216 HydrophobicContact CD2-CG2 3.79Å; I214-V216 HydrophobicContact CG2-CG2 4.14Å; V216-V218 HydrophobicContact CG1-CG2 4.08Å; V216-I233 HydrophobicContact CG1-CG2 4.44Å; V216-I233 HydrophobicContact CG2-CG2 4.3Å; V216-V271 WeakPolarHBondContact O-CA 3.49Å; V216-Y272 PolarHBondContact N-O 2.8Å; V216-Y272 PolarHBondContact O-N 2.99Å; V216-L274 HydrophobicContact CG2-CD1 4Å; V216-V323 HydrophobicContact CG1-CG1 3.95Å; V216-V323 HydrophobicContact CG2-CG1 3.8Å; V216-V323 HydrophobicContact CG2-CG2 4.44Å; V216-V325 HydrophobicContact CG1-CG2 3.88Å
217N96.6Very high92.7Very high51 Ų5132.8 Ų32.827%0.27318%0.18SC..EExtended strand (participates in β ladder)trans-79.9127.1172.6-54.3-48.4000108.5A201 S202 V271A201-N217 CarbonylContact C-O 3.58Å; A201-N217 WeakPolarHBondContact CA-O 3.49Å; S202-N217 PolarHBondContact N-O 3.26Å; S202-N217 PolarHBondContact O-N 2.99Å; S202-N217 WeakPolarHBondContact OG-CB 3.09Å; S202-N217 PolarHBondContact OG-ND2 2.95Å; S202-N217 VanDerWaalsContact OG-ND2 3.13Å; N217-V271 WeakPolarHBondContact OD1-CG1 3.21Å; N217-V271 WeakPolarHBondContact OD1-CG2 3.44Å
218V97Very high92.7Very high1 Ų132 Ų321%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-122.4119.3177.8-179.40000108.9L199 V216 V220 I233 C269 K270 Y272 V325L199-V218 HydrophobicContact CD1-CG1 3.93Å; V216-V218 HydrophobicContact CG1-CG2 4.08Å; V218-V220 HydrophobicContact CG1-CG2 4.01Å; V218-I233 HydrophobicContact CG2-CD1 4.06Å; V218-C269 WeakPolarHBondContact O-CA 3.28Å; V218-K270 PolarHBondContact N-O 3.13Å; V218-K270 PolarHBondContact O-N 3.32Å; V218-K270 VanDerWaalsContact O-N 3.08Å; V218-Y272 HydrophobicContact CB-CD2 4.36Å; V218-Y272 HydrophobicContact CB-CE2 4.08Å; V218-Y272 HydrophobicContact CG2-CD2 3.89Å; V218-Y272 HydrophobicContact CG2-CE2 3.99Å; V218-V325 HydrophobicContact CG1-CG1 3.98Å; V218-V325 HydrophobicContact CG2-CG1 3.91Å; V218-V325 HydrophobicContact CG2-CG2 4.04Å
219H96.9Very high92.6Very high60 Ų6037.1 Ų37.128%0.27820%0.198SC..EExtended strand (participates in β ladder)trans-115.6124.3175.9-171.576.5000109.9E200 T221 F268E200-H219 HydrophobicContact CB-CB 4.26Å; E200-H219 PolarHBondContact N-O 2.85Å; E200-H219 PolarHBondContact O-N 3.33Å; E200-H219 VanDerWaalsContact O-O 3.04Å; H219-T221 PolarHBondContact NE2-OG1 2.84Å; H219-F268 WeakPolarHBondContact CA-O 3.24Å
220V96.2Very high92.6Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-124.1120.1-179.4-174.90000108.7L197 H198 L199 V218 V262 T267 F268 L327L197-V220 HydrophobicContact CD1-CG1 3.69Å; H198-V220 WeakPolarHBondContact O-CA 3.42Å; L199-V220 HydrophobicContact CD1-CG2 3.98Å; V218-V220 HydrophobicContact CG1-CG2 4.01Å; V220-V262 HydrophobicContact CB-CG2 4.46Å; V220-V262 HydrophobicContact CG1-CG1 4.34Å; V220-V262 HydrophobicContact CG1-CG2 4.42Å; V220-T267 CarbonylContact O-C 3.49Å; V220-T267 VanDerWaalsContact O-CA 3.29Å; V220-T267 WeakPolarHBondContact O-CA 3.36Å; V220-F268 HydrophobicContact CB-CB 4.29Å; V220-F268 HydrophobicContact CG2-CD1 4.36Å; V220-F268 PolarHBondContact N-O 2.68Å; V220-F268 PolarHBondContact O-N 3.03Å; V220-L327 HydrophobicContact CG1-CD1 3.9Å; V220-L327 HydrophobicContact CG2-CD1 3.95Å; V220-L327 HydrophobicContact CG2-CD2 3.92Å
221T95.3Very high92.8Very high30 Ų3035.3 Ų35.318%0.18419%0.191CC..EExtended strand (participates in β ladder)trans-107.6101170.8-70.60000108.7H198 H219 N223 T267H198-T221 PolarHBondContact N-O 3.37Å; H198-T221 PolarHBondContact O-N 3.35Å; H219-T221 PolarHBondContact NE2-OG1 2.84Å; T221-N223 PolarHBondContact O-N 3.44Å; T221-T267 HydrophobicContact CG2-CG2 4.17Å
222N93Very high93.2Very high1 Ų137 Ų371%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-97.290.9-176.6-176.412.5000111L197 T224 K226 V262 A263 S265 S266L197-N222 HydrophobicContact CD1-CB 3.62Å; N222-T224 VanDerWaalsContact C-N 3.26Å; N222-T224 WeakPolarHBondContact OD1-CB 3.49Å; N222-T224 WeakPolarHBondContact OD1-CG2 3.49Å; N222-T224 PolarHBondContact OD1-N 2.9Å; N222-T224 VanDerWaalsContact OD1-N 3.07Å; N222-T224 PolarHBondContact OD1-OG1 2.65Å; N222-K226 PolarHBondContact ND2-O 3.36Å; N222-V262 HydrophobicContact CB-CG1 3.81Å; N222-V262 PolarHBondContact ND2-O 3.18Å; N222-A263 PolarHBondContact ND2-O 3.11Å; N222-S265 CarbonylContact O-C 3.43Å; N222-S265 WeakPolarHBondContact O-CA 3.21Å; N222-S265 PolarHBondContact O-N 3.18Å; N222-S266 WeakPolarHBondContact CB-O 3.36Å; N222-S266 PolarHBondContact N-O 3.27Å; N222-S266 PolarHBondContact O-N 2.75Å; N222-S266 VanDerWaalsContact O-N 3.11Å
223N91.1Very high93.4Very high70 Ų7035.2 Ų35.237%0.37418%0.182SC..  trans-85.1-1.7172.8-63.3-42.3000112.7K195 P196 T221K195-N223 HydrophobicContact CB-CB 4.05Å; K195-N223 WeakPolarHBondContact CB-O 3.35Å; K195-N223 HydrophobicContact CD-CB 4.48Å; K195-N223 WeakPolarHBondContact CD-O 3.26Å; P196-N223 WeakPolarHBondContact O-CB 3.33Å; P196-N223 PolarHBondContact O-N 3.41Å; T221-N223 PolarHBondContact O-N 3.44Å
224T88.7Confident93.5Very high1 Ų132.4 Ų32.41%0.00616%0.164CC..SBendtrans-76.5172.1-176.5820000112.3F190 K195 P196 L197 N222 K226 P264 S265F190-T224 HydrophobicContact CD2-CG2 4.05Å; F190-T224 HydrophobicContact CE2-CG2 4.04Å; K195-T224 WeakPolarHBondContact O-CG2 3.42Å; P196-T224 VanDerWaalsContact C-CG2 3.47Å; L197-T224 HydrophobicContact CB-CG2 3.64Å; N222-T224 VanDerWaalsContact C-N 3.26Å; N222-T224 WeakPolarHBondContact OD1-CB 3.49Å; N222-T224 WeakPolarHBondContact OD1-CG2 3.49Å; N222-T224 PolarHBondContact OD1-N 2.9Å; N222-T224 VanDerWaalsContact OD1-N 3.07Å; N222-T224 PolarHBondContact OD1-OG1 2.65Å; T224-K226 VanDerWaalsContact C-N 3.3Å; T224-K226 PolarHBondContact OG1-N 3.25Å; T224-K226 PolarHBondContact OG1-O 2.82Å; T224-P264 WeakPolarHBondContact O-CB 3.45Å; T224-S265 PolarHBondContact O-N 3.35Å
225N86.4Confident93.5Very high101 Ų10132.4 Ų32.454%0.5416%0.164SC..SBendtrans-86.85.1169.163.33.3000113.6M192 S193M192-N225 PolarHBondContact O-ND2 2.86Å; S193-N225 WeakPolarHBondContact CB-OD1 3.43Å; S193-N225 PolarHBondContact OG-N 2.79Å; S193-N225 PolarHBondContact OG-OD1 3.41Å
226K86.1Confident93.4Very high25 Ų2533.2 Ų33.211%0.10916%0.162CC..SBendtrans-102.5159.1-177.7-58-178.8-173.8-600110.7F190 N222 T224 V329 S330F190-K226 HydrophobicContact CD1-CD 4.37Å; F190-K226 HydrophobicContact CD2-CD 4.26Å; F190-K226 HydrophobicContact CG-CD 4.17Å; N222-K226 PolarHBondContact ND2-O 3.36Å; T224-K226 VanDerWaalsContact C-N 3.3Å; T224-K226 PolarHBondContact OG1-N 3.25Å; T224-K226 PolarHBondContact OG1-O 2.82Å; K226-V329 HydrophobicContact CB-CG1 3.67Å; K226-V329 HydrophobicContact CD-CG1 4.01Å; K226-V329 HydrophobicContact CG-CG1 4.47Å; K226-S330 WeakPolarHBondContact CD-O 3.28Å
227T88.8Confident93.3Very high48 Ų4833.3 Ų33.329%0.29416%0.162SC..  trans-107.5131.9178.8-52.60000109.5K229 V262 S330T227-K229 PolarHBondContact O-N 3.23Å; T227-V262 WeakPolarHBondContact CA-O 3.27Å; T227-V262 WeakPolarHBondContact CG2-O 3.04Å; T227-S330 PolarHBondContact N-OG 3.11Å; T227-S330 VanDerWaalsContact O-CB 3.26Å; T227-S330 WeakPolarHBondContact O-CB 3.45Å; T227-S330 PolarHBondContact O-N 2.77Å; T227-S330 PolarHBondContact O-OG 2.96Å
228V91.4Very high93.1Very high0 Ų031.4 Ų31.40%015%0.151CC..EExtended strand (participates in β ladder)trans-75.2121.6167-176.60000107.7L197 I231 T261 V262 L327 V329L197-V228 HydrophobicContact CD1-CG2 4.44Å; L197-V228 HydrophobicContact CD2-CG2 4.37Å; V228-I231 HydrophobicContact CG1-CG1 4.31Å; V228-T261 VanDerWaalsContact O-CA 3.23Å; V228-T261 WeakPolarHBondContact O-CA 3.32Å; V228-T261 WeakPolarHBondContact O-CB 3.33Å; V228-V262 HydrophobicContact CB-CB 3.82Å; V228-V262 HydrophobicContact CB-CG2 4.02Å; V228-V262 HydrophobicContact CG2-CB 3.93Å; V228-V262 HydrophobicContact CG2-CG2 4.3Å; V228-V262 PolarHBondContact N-O 3.33Å; V228-V262 PolarHBondContact O-N 3.32Å; V228-L327 HydrophobicContact CG1-CB 4.06Å; V228-L327 HydrophobicContact CG1-CD2 4.22Å; V228-V329 HydrophobicContact CG2-CG2 4.44Å
229K91.1Very high92.8Very high108 Ų10831.4 Ų31.447%0.4715%0.152SC..EExtended strand (participates in β ladder)trans-84.5-39-177.6-69.8-172.2174.3-178.30112.8T227 V328T227-K229 PolarHBondContact O-N 3.23Å; K229-V328 PolarHBondContact N-O 3.22Å
230K91.8Very high92.4Very high80 Ų8030 Ų3035%0.34815%0.146SC..EExtended strand (participates in β ladder)trans-150.8152-174.2-58.2-171.8-178.4-126.20110.6D259 V328K230-D259 WeakPolarHBondContact CD-OD1 3.39Å; K230-D259 VanDerWaalsContact CE-OD1 3.23Å; K230-D259 WeakPolarHBondContact CE-OD1 3.48Å; K230-D259 IonicContact NZ-OD1 2.69Å; K230-D259 PolarHBondContact NZ-OD1 3.24Å; K230-V328 HydrophobicContact CB-CB 4.2Å; K230-V328 HydrophobicContact CB-CG2 4.27Å; K230-V328 PolarHBondContact O-N 2.89Å
231I95.1Very high91.8Very high0 Ų030.2 Ų30.20%015%0.147CC..EExtended strand (participates in β ladder)trans-118.3122.9172.9-55-176.2000107.4V228 I233 A258 D260 F268 Y272 V325 L327V228-I231 HydrophobicContact CG1-CG1 4.31Å; I231-I233 HydrophobicContact CG2-CG1 4.32Å; I231-A258 PolarHBondContact N-O 3.45Å; I231-A258 PolarHBondContact O-N 3.16Å; I231-D260 HydrophobicContact CD1-CB 4.26Å; I231-F268 HydrophobicContact CD1-CD1 3.93Å; I231-F268 HydrophobicContact CD1-CE1 3.49Å; I231-F268 VanDerWaalsContact CD1-CE1 3.49Å; I231-F268 HydrophobicContact CD1-CZ 4.03Å; I231-Y272 HydrophobicContact CG2-CE2 4.5Å; I231-V325 HydrophobicContact CG2-CG1 4.33Å; I231-L327 HydrophobicContact CB-CD2 4.35Å; I231-L327 HydrophobicContact CD1-CD2 4.04Å; I231-L327 HydrophobicContact CG1-CD2 3.74Å; I231-L327 HydrophobicContact CG2-CD2 4.06Å
232K95.8Very high90.9Very high64 Ų6429.9 Ų29.928%0.27815%0.146SC..EExtended strand (participates in β ladder)trans-113.8125.2179.3-59.9-169.4174.7-1480109.6E257 K326 V328K232-E257 HydrophobicContact CB-CG 4.45Å; K232-E257 HydrophobicContact CD-CG 4.16Å; K232-E257 WeakPolarHBondContact CD-OE1 3.41Å; K232-E257 VanDerWaalsContact CE-OE1 3.25Å; K232-E257 WeakPolarHBondContact CE-OE1 3.36Å; K232-E257 WeakPolarHBondContact CE-OE2 3.44Å; K232-E257 HydrophobicContact CG-CB 4.46Å; K232-E257 HydrophobicContact CG-CG 3.96Å; K232-E257 IonicContact NZ-OE1 2.68Å; K232-E257 PolarHBondContact NZ-OE1 2.86Å; K232-E257 IonicContact NZ-OE2 2.69Å; K232-E257 PolarHBondContact NZ-OE2 3.45Å; K232-K326 HydrophobicContact CB-CB 4.38Å; K232-K326 PolarHBondContact N-O 2.79Å; K232-K326 PolarHBondContact O-N 2.84Å; K232-V328 HydrophobicContact CD-CG2 4.45Å; K232-V328 HydrophobicContact CG-CG2 4.48Å
233I96.5Very high89.9Confident1 Ų130.2 Ų30.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-117.2132178-53.3174.7000107.8V216 V218 I231 M255 E256 Y272 L274 V323 K324 V325V216-I233 HydrophobicContact CG1-CG2 4.44Å; V216-I233 HydrophobicContact CG2-CG2 4.3Å; V218-I233 HydrophobicContact CG2-CD1 4.06Å; I231-I233 HydrophobicContact CG2-CG1 4.32Å; I233-M255 CarbonylContact O-C 3.51Å; I233-M255 WeakPolarHBondContact O-CA 3.38Å; I233-E256 PolarHBondContact N-O 2.92Å; I233-E256 PolarHBondContact O-N 2.78Å; I233-Y272 HydrophobicContact CD1-CD1 3.81Å; I233-Y272 HydrophobicContact CD1-CD2 3.15Å; I233-Y272 HydrophobicContact CD1-CE1 4.33Å; I233-Y272 HydrophobicContact CD1-CE2 3.72Å; I233-Y272 HydrophobicContact CD1-CG 3.16Å; I233-L274 HydrophobicContact CB-CD1 4.11Å; I233-L274 HydrophobicContact CB-CD2 4.42Å; I233-L274 HydrophobicContact CG2-CD1 3.46Å; I233-L274 VanDerWaalsContact CG2-CD1 3.46Å; I233-L274 HydrophobicContact CG2-CD2 4.1Å; I233-L274 HydrophobicContact CG2-CG 4.47Å; I233-V323 HydrophobicContact CG2-CG1 3.95Å; I233-K324 WeakPolarHBondContact CA-O 3.43Å; I233-V325 HydrophobicContact CG1-CG1 4.49Å; I233-V325 HydrophobicContact CG1-CG2 4.42Å; I233-V325 HydrophobicContact CG2-CG2 4.45Å
234S96.1Very high88.7Confident6 Ų633.1 Ų33.14%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-140.1131.8178.660.40000111.4R236 A254 V323 K324S234-R236 PolarHBondContact OG-NE 3.47Å; S234-R236 VanDerWaalsContact OG-NE 3.07Å; S234-A254 CarbonylContact C-O 3.59Å; S234-A254 VanDerWaalsContact CA-O 3.26Å; S234-A254 WeakPolarHBondContact CA-O 3.38Å; S234-V323 CarbonylContact O-C 3.56Å; S234-K324 PolarHBondContact N-O 2.84Å; S234-K324 PolarHBondContact O-N 2.86Å
235V96.6Very high87.6Confident0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-85.7124.9166.2-175.20000107.3I214 P252 V253 A254 L274 P276 Y321 V323 F349I214-V235 HydrophobicContact CD1-CG2 4.22Å; V235-P252 CarbonylContact O-C 3.6Å; V235-P252 WeakPolarHBondContact O-CA 3.37Å; V235-V253 HydrophobicContact CB-CG2 3.83Å; V235-V253 HydrophobicContact CG1-CG2 3.48Å; V235-V253 VanDerWaalsContact CG1-CG2 3.48Å; V235-V253 WeakPolarHBondContact O-CG2 3.45Å; V235-V253 PolarHBondContact O-N 2.8Å; V235-A254 HydrophobicContact CB-CB 4.02Å; V235-A254 HydrophobicContact CG2-CB 3.99Å; V235-A254 PolarHBondContact N-O 3.49Å; V235-A254 PolarHBondContact O-N 2.95Å; V235-L274 HydrophobicContact CG2-CB 3.97Å; V235-L274 HydrophobicContact CG2-CD2 4.17Å; V235-P276 HydrophobicContact CG1-CB 4.37Å; V235-Y321 HydrophobicContact CG1-CD1 4.46Å; V235-V323 HydrophobicContact CG2-CG2 4.4Å; V235-F349 HydrophobicContact CG1-CE1 3.84Å; V235-F349 HydrophobicContact CG1-CZ 3.59Å
236R94.8Very high87Confident51 Ų5137.8 Ų37.819%0.19219%0.187CC..EExtended strand (participates in β ladder)trans-121.3128.5-176.8-64.9175.7178.6-157.9-14.3110S234 Y238 C251 Y321 K322S234-R236 PolarHBondContact OG-NE 3.47Å; S234-R236 VanDerWaalsContact OG-NE 3.07Å; R236-Y238 HydrophobicContact CB-CD2 4.42Å; R236-Y238 HydrophobicContact CB-CE2 3.79Å; R236-C251 WeakPolarHBondContact CA-O 3.47Å; R236-Y321 WeakPolarHBondContact O-CA 3.29Å; R236-K322 PolarHBondContact N-O 3.41Å; R236-K322 PolarHBondContact O-N 2.9Å
237Q94.8Very high86.6Confident1 Ų137.9 Ų37.91%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-89.6131.5166.7-171.5-168.469.300108.7K250 C251 V253 A288 V319 Y321Q237-K250 WeakPolarHBondContact O-CA 2.96Å; Q237-C251 PolarHBondContact N-O 2.85Å; Q237-C251 PolarHBondContact O-N 3.01Å; Q237-V253 HydrophobicContact CB-CG1 3.82Å; Q237-A288 PolarHBondContact NE2-O 3.07Å; Q237-V319 HydrophobicContact CG-CG1 3.92Å; Q237-Y321 HydrophobicContact CB-CD1 4Å; Q237-Y321 HydrophobicContact CB-CE1 3.63Å; Q237-Y321 HydrophobicContact CG-CD1 4.28Å; Q237-Y321 HydrophobicContact CG-CE1 3.67Å; Q237-Y321 HydrophobicContact CG-CE2 4.34Å; Q237-Y321 PolarHBondContact NE2-OH 2.58Å
238Y92.1Very high86.4Confident11 Ų1141.6 Ų41.64%0.04321%0.206CC..EExtended strand (participates in β ladder)trans-112126.7171.2-64.8-95.4000107.6R236 Y249 K250 V319 S320 K322 E346R236-Y238 HydrophobicContact CB-CD2 4.42Å; R236-Y238 HydrophobicContact CB-CE2 3.79Å; Y238-Y249 CarbonylContact C-O 3.46Å; Y238-Y249 WeakPolarHBondContact CA-O 3.37Å; Y238-K250 HydrophobicContact CD1-CB 4.37Å; Y238-K250 HydrophobicContact CD1-CD 4.48Å; Y238-K250 HydrophobicContact CD1-CG 4.16Å; Y238-K250 HydrophobicContact CE1-CB 4.39Å; Y238-K250 HydrophobicContact CE1-CD 3.72Å; Y238-K250 HydrophobicContact CE1-CG 3.79Å; Y238-K250 WeakPolarHBondContact OH-CE 3.17Å; Y238-K250 PolarHBondContact OH-NZ 3.3Å; Y238-V319 CarbonylContact O-C 3.6Å; Y238-V319 WeakPolarHBondContact O-CA 3.35Å; Y238-S320 PolarHBondContact N-O 2.73Å; Y238-S320 PolarHBondContact O-N 2.89Å; Y238-K322 HydrophobicContact CD2-CD 4.37Å; Y238-K322 HydrophobicContact CD2-CG 4.17Å; Y238-K322 HydrophobicContact CE2-CB 3.94Å; Y238-K322 HydrophobicContact CE2-CD 3.8Å; Y238-K322 HydrophobicContact CE2-CG 3.8Å; Y238-E346 PolarHBondContact OH-OE2 2.8Å; Y238-E346 VanDerWaalsContact OH-OE2 3.13Å
239A90.4Very high86Confident1 Ų145.2 Ų45.21%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-123.3107.417500000109.1L129 Y249 A288 I317 I318L129-A239 HydrophobicContact CD2-CB 3.71Å; A239-Y249 PolarHBondContact N-O 2.88Å; A239-Y249 PolarHBondContact O-N 3.47Å; A239-A288 HydrophobicContact CB-CB 3.96Å; A239-I317 HydrophobicContact CB-CG2 4.21Å; A239-I318 WeakPolarHBondContact CA-O 3.5Å
240D87.7Confident86Confident30 Ų3044.6 Ų44.616%0.1622%0.218CC..EExtended strand (participates in β ladder)trans-95.9113.5-179.9-64.7-27.7000108.9C242 Q248 I317 I318D240-C242 PolarHBondContact O-N 3.38Å; D240-Q248 WeakPolarHBondContact OD1-CB 3.33Å; D240-Q248 WeakPolarHBondContact OD1-CG 3.4Å; D240-Q248 PolarHBondContact OD1-NE2 2.8Å; D240-I317 WeakPolarHBondContact O-CA 3.47Å; D240-I318 HydrophobicContact CB-CB 4.36Å; D240-I318 PolarHBondContact N-O 3.12Å; D240-I318 PolarHBondContact O-N 3.47Å
241I83.4Confident85.9Confident5 Ų541.3 Ų41.33%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-79.1117.5169.6-56-178.3000107.4F61 L129 T246 A247 Y249F61-I241 HydrophobicContact CZ-CG2 3.96Å; L129-I241 HydrophobicContact CD1-CD1 3.51Å; L129-I241 HydrophobicContact CD1-CG1 3.62Å; I241-T246 WeakPolarHBondContact O-CA 3.35Å; I241-A247 HydrophobicContact CD1-CB 4.47Å; I241-A247 PolarHBondContact N-O 2.98Å; I241-A247 PolarHBondContact O-N 2.92Å; I241-Y249 HydrophobicContact CD1-CD2 4.29Å; I241-Y249 HydrophobicContact CD1-CE2 3.66Å; I241-Y249 HydrophobicContact CG1-CD2 4.48Å; I241-Y249 HydrophobicContact CG1-CE2 4.3Å
242C76.8Confident85.7Confident24 Ų2443.5 Ų43.516%0.16222%0.219CC..  trans-102-2.2-178.1-60.20000113.2D240 R312 G316 I318D240-C242 PolarHBondContact O-N 3.38Å; C242-R312 WeakPolarHBondContact CB-O 3.37Å; C242-G316 PolarHBondContact N-O 3.03Å; C242-I318 VanDerWaalsContact SG-CD1 3.53Å
243L72.9Confident85.6Confident8 Ų840.6 Ų40.64%0.04221%0.207CC..SBendtrans-111.9132.3-176.9-142.378.9000111.4F61 F75 K77 L79 N245 E313F61-L243 HydrophobicContact CB-CD2 3.7Å; F61-L243 HydrophobicContact CD1-CB 4.27Å; F61-L243 HydrophobicContact CD1-CD2 3.41Å; F61-L243 VanDerWaalsContact CD1-CD2 3.41Å; F61-L243 HydrophobicContact CD1-CG 4.44Å; F61-L243 HydrophobicContact CD2-CD2 4.2Å; F61-L243 HydrophobicContact CE1-CB 4.03Å; F61-L243 HydrophobicContact CE1-CD2 4.02Å; F61-L243 HydrophobicContact CE2-CB 4.42Å; F61-L243 HydrophobicContact CG-CD2 3.5Å; F61-L243 VanDerWaalsContact CG-CD2 3.5Å; F61-L243 HydrophobicContact CZ-CB 4.12Å; F75-L243 HydrophobicContact CE1-CD2 4.04Å; K77-L243 HydrophobicContact CB-CD2 4.14Å; K77-L243 HydrophobicContact CD-CD2 3.97Å; K77-L243 HydrophobicContact CD-CG 4.49Å; K77-L243 HydrophobicContact CG-CD2 4.4Å; L79-L243 HydrophobicContact CD2-CD2 4.47Å; L243-N245 VanDerWaalsContact C-N 3.29Å; L243-N245 PolarHBondContact O-N 2.56Å; L243-E313 HydrophobicContact CD1-CB 4.46Å; L243-E313 WeakPolarHBondContact CD1-O 3.36Å
244F66.4Low85.5Confident131 Ų13141.3 Ų41.358%0.57521%0.213SC*.SBendtrans64.7-65.8175.4-172-100.4000115.8F75F75-F244 HydrophobicContact CD1-CB 4.45Å; F75-F244 AromaticContact CD2-CD2 3.99Å; F75-F244 HydrophobicContact CD2-CD2 3.99Å; F75-F244 HydrophobicContact CD2-CE2 4.29Å; F75-F244 HydrophobicContact CD2-CG 4.35Å; F75-F244 HydrophobicContact CE1-CB 4.31Å; F75-F244 AromaticContact CE2-CD2 3.93Å; F75-F244 HydrophobicContact CE2-CD2 3.93Å; F75-F244 HydrophobicContact CE2-CE2 4.49Å; F75-F244 HydrophobicContact CE2-CG 4.47Å; F75-F244 HydrophobicContact CG-CG 4.47Å; F75-F244 HydrophobicContact CZ-CB 4.39Å; F75-F244 HydrophobicContact CZ-CD2 4.45Å
245N65.6Low85.4Confident81 Ų8146 Ų4643%0.43324%0.235SC..SBendtrans-118.4111.2175.8-172.612.4000109L243 A247L243-N245 VanDerWaalsContact C-N 3.29Å; L243-N245 PolarHBondContact O-N 2.56Å; N245-A247 PolarHBondContact O-N 3.43Å; N245-A247 VanDerWaalsContact O-N 3.12Å
246T73.2Confident85.2Confident119 Ų11949.3 Ų49.373%0.7325%0.25SS*.  trans-73.1107.7179.648.20000109.4I241I241-T246 WeakPolarHBondContact O-CA 3.35Å
247A78.1Confident85.2Confident27 Ų2751.4 Ų51.422%0.22326%0.262CS..EExtended strand (participates in β ladder)trans-132.1137.3179.300000109.4I241 N245 Y249I241-A247 HydrophobicContact CD1-CB 4.47Å; I241-A247 PolarHBondContact N-O 2.98Å; I241-A247 PolarHBondContact O-N 2.92Å; N245-A247 PolarHBondContact O-N 3.43Å; N245-A247 VanDerWaalsContact O-N 3.12Å; A247-Y249 HydrophobicContact CB-CE2 4.03Å
248Q83.2Confident85.1Confident125 Ų12552 Ų5258%0.58427%0.267SS*.EExtended strand (participates in β ladder)trans-108.9118.2173.9172.8168.988.300108.9D240D240-Q248 WeakPolarHBondContact OD1-CB 3.33Å; D240-Q248 WeakPolarHBondContact OD1-CG 3.4Å; D240-Q248 PolarHBondContact OD1-NE2 2.8Å
249Y84.5Confident85Confident76 Ų7656.9 Ų56.930%0.29830%0.295SS..EExtended strand (participates in β ladder)trans-94.6137.1169.7-67.4-90.3000109.7L129 Y238 A239 I241 A247 G286L129-Y249 HydrophobicContact CD1-CD2 4.19Å; L129-Y249 HydrophobicContact CD1-CE2 4.3Å; Y238-Y249 CarbonylContact C-O 3.46Å; Y238-Y249 WeakPolarHBondContact CA-O 3.37Å; A239-Y249 PolarHBondContact N-O 2.88Å; A239-Y249 PolarHBondContact O-N 3.47Å; I241-Y249 HydrophobicContact CD1-CD2 4.29Å; I241-Y249 HydrophobicContact CD1-CE2 3.66Å; I241-Y249 HydrophobicContact CG1-CD2 4.48Å; I241-Y249 HydrophobicContact CG1-CE2 4.3Å; A247-Y249 HydrophobicContact CB-CE2 4.03Å; Y249-G286 WeakPolarHBondContact CB-O 3.44Å
250K89.6Confident85.1Confident95 Ų9558.6 Ų58.641%0.41330%0.303SS..EExtended strand (participates in β ladder)trans-130.3108.3-178.8-179.6179.4-169.3152.30109.5Q237 Y238Q237-K250 WeakPolarHBondContact O-CA 2.96Å; Y238-K250 HydrophobicContact CD1-CB 4.37Å; Y238-K250 HydrophobicContact CD1-CD 4.48Å; Y238-K250 HydrophobicContact CD1-CG 4.16Å; Y238-K250 HydrophobicContact CE1-CB 4.39Å; Y238-K250 HydrophobicContact CE1-CD 3.72Å; Y238-K250 HydrophobicContact CE1-CG 3.79Å; Y238-K250 WeakPolarHBondContact OH-CE 3.17Å; Y238-K250 PolarHBondContact OH-NZ 3.3Å
251C90Very high85.3Confident11 Ų1161.6 Ų61.67%0.07432%0.323CS..EExtended strand (participates in β ladder)trans-121.9120.9-175-65.50000110.8R236 Q237 V253 R285 G286 L287R236-C251 WeakPolarHBondContact CA-O 3.47Å; Q237-C251 PolarHBondContact N-O 2.85Å; Q237-C251 PolarHBondContact O-N 3.01Å; C251-V253 PolarHBondContact O-N 3.05Å; C251-R285 PolarHBondContact SG-O 3.03Å; C251-G286 VanDerWaalsContact SG-C 3.59Å; C251-G286 PolarHBondContact SG-O 3.43Å; C251-L287 HydrophobicContact CB-CD1 4.1Å
252P91.8Very high85.8Confident46 Ų4661.5 Ų61.530%0.29932%0.322SS..EExtended strand (participates in β ladder)trans-71.8117.7170.329.1-30.8000109V235 M255 N281 K284V235-P252 CarbonylContact O-C 3.6Å; V235-P252 WeakPolarHBondContact O-CA 3.37Å; P252-M255 HydrophobicContact CB-CE 4.27Å; P252-N281 PolarHBondContact O-OD1 3.4Å; P252-K284 PolarHBondContact O-NZ 2.82Å
253V92.9Very high86.5Confident4 Ų462.7 Ų62.72%0.02433%0.334CS..EExtended strand (participates in β ladder)trans-98-20.6-177.7-64.10000113.2V235 Q237 C251 P276 N281 L287 L300 Y321V235-V253 HydrophobicContact CB-CG2 3.83Å; V235-V253 HydrophobicContact CG1-CG2 3.48Å; V235-V253 VanDerWaalsContact CG1-CG2 3.48Å; V235-V253 WeakPolarHBondContact O-CG2 3.45Å; V235-V253 PolarHBondContact O-N 2.8Å; Q237-V253 HydrophobicContact CB-CG1 3.82Å; C251-V253 PolarHBondContact O-N 3.05Å; V253-P276 HydrophobicContact CB-CB 4.43Å; V253-P276 HydrophobicContact CG2-CB 3.83Å; V253-N281 WeakPolarHBondContact CA-OD1 3.44Å; V253-N281 PolarHBondContact O-ND2 2.83Å; V253-N281 PolarHBondContact O-OD1 2.9Å; V253-L287 HydrophobicContact CG1-CD1 3.54Å; V253-L300 HydrophobicContact CB-CD1 4.27Å; V253-L300 HydrophobicContact CG1-CD1 4.36Å; V253-L300 HydrophobicContact CG1-CD2 4.28Å; V253-Y321 HydrophobicContact CG2-CD1 4.47Å; V253-Y321 HydrophobicContact CG2-CE1 4.34Å
254A94.1Very high87.3Confident16 Ų1665 Ų6513%0.13235%0.35CS..EExtended strand (participates in β ladder)trans-147.4146.7167.500000108.5S234 V235 L274S234-A254 CarbonylContact C-O 3.59Å; S234-A254 VanDerWaalsContact CA-O 3.26Å; S234-A254 WeakPolarHBondContact CA-O 3.38Å; V235-A254 HydrophobicContact CB-CB 4.02Å; V235-A254 HydrophobicContact CG2-CB 3.99Å; V235-A254 PolarHBondContact N-O 3.49Å; V235-A254 PolarHBondContact O-N 2.95Å; A254-L274 HydrophobicContact CB-CB 4.25Å; A254-L274 HydrophobicContact CB-CD2 4.16Å
255M93.8Very high88.5Confident105 Ų10562.7 Ų62.752%0.51735%0.35SS..EExtended strand (participates in β ladder)trans-144.8137.3177.5-172.1176.2-68.100109.3I233 P252 E257I233-M255 CarbonylContact O-C 3.51Å; I233-M255 WeakPolarHBondContact O-CA 3.38Å; P252-M255 HydrophobicContact CB-CE 4.27Å; M255-E257 HydrophobicContact CG-CG 4.32Å; M255-E257 HydrophobicContact SD-CG 4.35Å
256E94.1Very high89.9Confident68 Ų6860.6 Ų60.632%0.31834%0.342SS..EExtended strand (participates in β ladder)trans-131.4122.9173.4-168.9179.3165.700107.3I233 L274I233-E256 PolarHBondContact N-O 2.92Å; I233-E256 PolarHBondContact O-N 2.78Å; E256-L274 HydrophobicContact CB-CD2 3.91Å; E256-L274 HydrophobicContact CB-CG 4.12Å
257E93.4Very high90.9Very high95 Ų9559.6 Ų59.644%0.44434%0.335SS..EExtended strand (participates in β ladder)trans-111.2121174.3-60.4-161.2171.700108.3K232 M255K232-E257 HydrophobicContact CB-CG 4.45Å; K232-E257 HydrophobicContact CD-CG 4.16Å; K232-E257 WeakPolarHBondContact CD-OE1 3.41Å; K232-E257 VanDerWaalsContact CE-OE1 3.25Å; K232-E257 WeakPolarHBondContact CE-OE1 3.36Å; K232-E257 WeakPolarHBondContact CE-OE2 3.44Å; K232-E257 HydrophobicContact CG-CB 4.46Å; K232-E257 HydrophobicContact CG-CG 3.96Å; K232-E257 IonicContact NZ-OE1 2.68Å; K232-E257 PolarHBondContact NZ-OE1 2.86Å; K232-E257 IonicContact NZ-OE2 2.69Å; K232-E257 PolarHBondContact NZ-OE2 3.45Å; M255-E257 HydrophobicContact CG-CG 4.32Å; M255-E257 HydrophobicContact SD-CG 4.35Å
258A92.8Very high91.8Very high13 Ų1360 Ų6011%0.10733%0.332CS..EExtended strand (participates in β ladder)trans-111.9132.817800000110.4I231 D260 Y272I231-A258 PolarHBondContact N-O 3.45Å; I231-A258 PolarHBondContact O-N 3.16Å; A258-D260 HydrophobicContact CB-CB 4.49Å; A258-D260 WeakPolarHBondContact CB-OD2 3.39Å; A258-D260 PolarHBondContact O-N 3.12Å; A258-D260 VanDerWaalsContact O-N 3.1Å; A258-Y272 HydrophobicContact CB-CE1 3.58Å
259D91.4Very high92.4Very high115 Ų11558.5 Ų58.562%0.61534%0.335SS*.  trans-79.926.5173.5-68.8-44.2000112.2K230 T261K230-D259 WeakPolarHBondContact CD-OD1 3.39Å; K230-D259 VanDerWaalsContact CE-OD1 3.23Å; K230-D259 WeakPolarHBondContact CE-OD1 3.48Å; K230-D259 IonicContact NZ-OD1 2.69Å; K230-D259 PolarHBondContact NZ-OD1 3.24Å; D259-T261 PolarHBondContact O-N 3.27Å
260D91.5Very high92.9Very high36 Ų3658.7 Ų58.719%0.19334%0.337CS..  trans-66.8127.3173.5-64.6-52.6000109.4I231 A258 F268 K270 Y272I231-D260 HydrophobicContact CD1-CB 4.26Å; A258-D260 HydrophobicContact CB-CB 4.49Å; A258-D260 WeakPolarHBondContact CB-OD2 3.39Å; A258-D260 PolarHBondContact O-N 3.12Å; A258-D260 VanDerWaalsContact O-N 3.1Å; D260-F268 HydrophobicContact CB-CE2 3.95Å; D260-F268 HydrophobicContact CB-CZ 3.74Å; D260-K270 IonicContact OD1-NZ 3.24Å; D260-K270 PolarHBondContact OD1-NZ 3.15Å; D260-K270 WeakPolarHBondContact OD2-CD 3.4Å; D260-K270 IonicContact OD2-NZ 2.82Å; D260-K270 PolarHBondContact OD2-NZ 2.84Å; D260-Y272 WeakPolarHBondContact OD2-CE1 3.22Å; D260-Y272 PolarHBondContact OD2-OH 2.99Å
261T92Very high93.3Very high94 Ų9457.9 Ų57.958%0.57734%0.34SS*.  trans-107.6143-179.460.80000111V228 D259V228-T261 VanDerWaalsContact O-CA 3.23Å; V228-T261 WeakPolarHBondContact O-CA 3.32Å; V228-T261 WeakPolarHBondContact O-CB 3.33Å; D259-T261 PolarHBondContact O-N 3.27Å
262V93.1Very high93.6Very high2 Ų257.6 Ų57.61%0.01234%0.337CS..BIsolated β-bridgetrans-119.1111175.1-170.10000108.4V220 N222 T227 V228 F268V220-V262 HydrophobicContact CB-CG2 4.46Å; V220-V262 HydrophobicContact CG1-CG1 4.34Å; V220-V262 HydrophobicContact CG1-CG2 4.42Å; N222-V262 HydrophobicContact CB-CG1 3.81Å; N222-V262 PolarHBondContact ND2-O 3.18Å; T227-V262 WeakPolarHBondContact CA-O 3.27Å; T227-V262 WeakPolarHBondContact CG2-O 3.04Å; V228-V262 HydrophobicContact CB-CB 3.82Å; V228-V262 HydrophobicContact CB-CG2 4.02Å; V228-V262 HydrophobicContact CG2-CB 3.93Å; V228-V262 HydrophobicContact CG2-CG2 4.3Å; V228-V262 PolarHBondContact N-O 3.33Å; V228-V262 PolarHBondContact O-N 3.32Å; V262-F268 HydrophobicContact CB-CB 4.4Å; V262-F268 HydrophobicContact CG1-CB 3.98Å; V262-F268 HydrophobicContact CG2-CB 3.57Å; V262-F268 HydrophobicContact CG2-CD1 4.27Å; V262-F268 HydrophobicContact CG2-CD2 4.24Å; V262-F268 HydrophobicContact CG2-CG 3.79Å
263A92.4Very high93.8Very high50 Ų5059 Ų5941%0.41335%0.345SS..  trans-65.9159.1-178.600000111.6N222 S266N222-A263 PolarHBondContact ND2-O 3.11Å; A263-S266 PolarHBondContact N-OG 2.89Å; A263-S266 PolarHBondContact O-N 2.91Å; A263-S266 PolarHBondContact O-OG 2.82Å
264P90.4Very high93.9Very high57 Ų5759.1 Ų59.137%0.3735%0.346SS..THydrogen-bonded Turntrans-56.5142.5171.4-2435.1000111.7T224 S266T224-P264 WeakPolarHBondContact O-CB 3.45Å; P264-S266 VanDerWaalsContact C-N 3.27Å; P264-S266 PolarHBondContact O-N 2.68Å
265S91.2Very high93.8Very high82 Ų8260.3 Ų60.357%0.57335%0.351SS*.THydrogen-bonded Turntrans54.937179.2-55.30000114.3N222 T224N222-S265 CarbonylContact O-C 3.43Å; N222-S265 WeakPolarHBondContact O-CA 3.21Å; N222-S265 PolarHBondContact O-N 3.18Å; T224-S265 PolarHBondContact O-N 3.35Å
266S94.1Very high93.6Very high37 Ų3755.4 Ų55.426%0.25933%0.327SS..EExtended strand (participates in β ladder)trans-131.8160.9178.972.60000112.3N222 A263 P264N222-S266 WeakPolarHBondContact CB-O 3.36Å; N222-S266 PolarHBondContact N-O 3.27Å; N222-S266 PolarHBondContact O-N 2.75Å; N222-S266 VanDerWaalsContact O-N 3.11Å; A263-S266 PolarHBondContact N-OG 2.89Å; A263-S266 PolarHBondContact O-N 2.91Å; A263-S266 PolarHBondContact O-OG 2.82Å; P264-S266 VanDerWaalsContact C-N 3.27Å; P264-S266 PolarHBondContact O-N 2.68Å
267T94.8Very high93.3Very high97 Ų9756.6 Ų56.660%0.59533%0.332SS*.EExtended strand (participates in β ladder)trans-109.1150.7174.157.80000110.5V220 T221V220-T267 CarbonylContact O-C 3.49Å; V220-T267 VanDerWaalsContact O-CA 3.29Å; V220-T267 WeakPolarHBondContact O-CA 3.36Å; T221-T267 HydrophobicContact CG2-CG2 4.17Å
268F96.3Very high92.9Very high35 Ų3552.8 Ų52.815%0.15431%0.314CS..EExtended strand (participates in β ladder)trans-137.2139.3178.2173.8-90.7000109.6H219 V220 I231 D260 V262 K270H219-F268 WeakPolarHBondContact CA-O 3.24Å; V220-F268 HydrophobicContact CB-CB 4.29Å; V220-F268 HydrophobicContact CG2-CD1 4.36Å; V220-F268 PolarHBondContact N-O 2.68Å; V220-F268 PolarHBondContact O-N 3.03Å; I231-F268 HydrophobicContact CD1-CD1 3.93Å; I231-F268 HydrophobicContact CD1-CE1 3.49Å; I231-F268 VanDerWaalsContact CD1-CE1 3.49Å; I231-F268 HydrophobicContact CD1-CZ 4.03Å; D260-F268 HydrophobicContact CB-CE2 3.95Å; D260-F268 HydrophobicContact CB-CZ 3.74Å; V262-F268 HydrophobicContact CB-CB 4.4Å; V262-F268 HydrophobicContact CG1-CB 3.98Å; V262-F268 HydrophobicContact CG2-CB 3.57Å; V262-F268 HydrophobicContact CG2-CD1 4.27Å; V262-F268 HydrophobicContact CG2-CD2 4.24Å; V262-F268 HydrophobicContact CG2-CG 3.79Å; F268-K270 HydrophobicContact CE1-CB 3.57Å; F268-K270 HydrophobicContact CE2-CB 4.32Å; F268-K270 HydrophobicContact CE2-CD 4.46Å; F268-K270 HydrophobicContact CZ-CB 3.43Å; F268-K270 VanDerWaalsContact CZ-CB 3.43Å; F268-K270 HydrophobicContact CZ-CD 3.74Å; F268-K270 HydrophobicContact CZ-CG 4.25Å
269C95.8Very high92.6Very high95 Ų9555.2 Ų55.264%0.64233%0.334SS*.EExtended strand (participates in β ladder)trans-142.8123.9176.2-170.20000108.9V218V218-C269 WeakPolarHBondContact O-CA 3.28Å
270K96.4Very high92.2Very high79 Ų7955.6 Ų55.634%0.34334%0.336SS..EExtended strand (participates in β ladder)trans-151.5148.7177.2-170.1171175.9-174.20110.6V218 D260 F268 Y272V218-K270 PolarHBondContact N-O 3.13Å; V218-K270 PolarHBondContact O-N 3.32Å; V218-K270 VanDerWaalsContact O-N 3.08Å; D260-K270 IonicContact OD1-NZ 3.24Å; D260-K270 PolarHBondContact OD1-NZ 3.15Å; D260-K270 WeakPolarHBondContact OD2-CD 3.4Å; D260-K270 IonicContact OD2-NZ 2.82Å; D260-K270 PolarHBondContact OD2-NZ 2.84Å; F268-K270 HydrophobicContact CE1-CB 3.57Å; F268-K270 HydrophobicContact CE2-CB 4.32Å; F268-K270 HydrophobicContact CE2-CD 4.46Å; F268-K270 HydrophobicContact CZ-CB 3.43Å; F268-K270 VanDerWaalsContact CZ-CB 3.43Å; F268-K270 HydrophobicContact CZ-CD 3.74Å; F268-K270 HydrophobicContact CZ-CG 4.25Å; K270-Y272 HydrophobicContact CB-CE2 3.96Å; K270-Y272 HydrophobicContact CD-CE1 3.99Å; K270-Y272 HydrophobicContact CD-CE2 4.3Å; K270-Y272 HydrophobicContact CG-CE1 4.46Å; K270-Y272 HydrophobicContact CG-CE2 4.12Å
271V96.8Very high91.8Very high78 Ų7854 Ų5447%0.47333%0.328SS..EExtended strand (participates in β ladder)trans-104.3130.7174.4-170.90000108.5V216 N217V216-V271 WeakPolarHBondContact O-CA 3.49Å; N217-V271 WeakPolarHBondContact OD1-CG1 3.21Å; N217-V271 WeakPolarHBondContact OD1-CG2 3.44Å
272Y96.1Very high91.1Very high5 Ų554 Ų542%0.0232%0.317CS..EExtended strand (participates in β ladder)trans-114.6155.7176.8-61-93000110.1S215 V216 V218 I231 I233 A258 D260 K270S215-Y272 WeakPolarHBondContact CA-O 3.39Å; V216-Y272 PolarHBondContact N-O 2.8Å; V216-Y272 PolarHBondContact O-N 2.99Å; V218-Y272 HydrophobicContact CB-CD2 4.36Å; V218-Y272 HydrophobicContact CB-CE2 4.08Å; V218-Y272 HydrophobicContact CG2-CD2 3.89Å; V218-Y272 HydrophobicContact CG2-CE2 3.99Å; I231-Y272 HydrophobicContact CG2-CE2 4.5Å; I233-Y272 HydrophobicContact CD1-CD1 3.81Å; I233-Y272 HydrophobicContact CD1-CD2 3.15Å; I233-Y272 HydrophobicContact CD1-CE1 4.33Å; I233-Y272 HydrophobicContact CD1-CE2 3.72Å; I233-Y272 HydrophobicContact CD1-CG 3.16Å; A258-Y272 HydrophobicContact CB-CE1 3.58Å; D260-Y272 WeakPolarHBondContact OD2-CE1 3.22Å; D260-Y272 PolarHBondContact OD2-OH 2.99Å; K270-Y272 HydrophobicContact CB-CE2 3.96Å; K270-Y272 HydrophobicContact CD-CE1 3.99Å; K270-Y272 HydrophobicContact CD-CE2 4.3Å; K270-Y272 HydrophobicContact CG-CE1 4.46Å; K270-Y272 HydrophobicContact CG-CE2 4.12Å
273T96.1Very high90.3Very high77 Ų7763 Ų6347%0.47236%0.359SS..EExtended strand (participates in β ladder)trans-132.2116.2-175-56.80000110.7P213 I214P213-T273 HydrophobicContact CB-CG2 3.52Å; I214-T273 WeakPolarHBondContact O-CA 3.26Å
274L94.5Very high89.6Confident6 Ų664.3 Ų64.33%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-118.8137.8179.4-64.494000110.5I214 V216 I233 V235 A254 E256I214-L274 WeakPolarHBondContact CB-O 3.44Å; I214-L274 PolarHBondContact N-O 3.28Å; I214-L274 PolarHBondContact O-N 2.82Å; V216-L274 HydrophobicContact CG2-CD1 4Å; I233-L274 HydrophobicContact CB-CD1 4.11Å; I233-L274 HydrophobicContact CB-CD2 4.42Å; I233-L274 HydrophobicContact CG2-CD1 3.46Å; I233-L274 VanDerWaalsContact CG2-CD1 3.46Å; I233-L274 HydrophobicContact CG2-CD2 4.1Å; I233-L274 HydrophobicContact CG2-CG 4.47Å; V235-L274 HydrophobicContact CG2-CB 3.97Å; V235-L274 HydrophobicContact CG2-CD2 4.17Å; A254-L274 HydrophobicContact CB-CB 4.25Å; A254-L274 HydrophobicContact CB-CD2 4.16Å; E256-L274 HydrophobicContact CB-CD2 3.91Å; E256-L274 HydrophobicContact CB-CG 4.12Å
275T92.8Very high88.8Confident40 Ų4067.5 Ų67.525%0.24536%0.36CS..  trans-120.7108.3175.8-44.10000110.6G211 F277G211-T275 WeakPolarHBondContact O-CG2 3.46Å; T275-F277 HydrophobicContact CG2-CD2 3.66Å; T275-F277 HydrophobicContact CG2-CE2 3.17Å; T275-F277 HydrophobicContact CG2-CZ 3.71Å; T275-F277 PolarHBondContact O-N 2.77Å
276P90.6Very high88.1Confident2 Ų263.8 Ų63.81%0.01333%0.334CS..  trans-76.3103.7179.530.8-33.1000110.8I214 V235 V253 L300I214-P276 HydrophobicContact CD1-CG 3.97Å; V235-P276 HydrophobicContact CG1-CB 4.37Å; V253-P276 HydrophobicContact CB-CB 4.43Å; V253-P276 HydrophobicContact CG2-CB 3.83Å; P276-L300 HydrophobicContact CB-CD1 4.01Å
277F87.1Confident87.7Confident94 Ų9462 Ų6241%0.41232%0.322SS..  trans-109.9137.2175.7-81.3-68.2000112.4T275 A279 N280 N281T275-F277 HydrophobicContact CG2-CD2 3.66Å; T275-F277 HydrophobicContact CG2-CE2 3.17Å; T275-F277 HydrophobicContact CG2-CZ 3.71Å; T275-F277 PolarHBondContact O-N 2.77Å; F277-A279 PolarHBondContact O-N 2.96Å; F277-N280 PolarHBondContact O-N 2.62Å; F277-N281 PolarHBondContact O-ND2 2.81Å
278L85.9Confident87.5Confident14 Ų1457.4 Ų57.47%0.07329%0.294CS..G310 helixtrans-59.3-36.9172177.458.7000112N280 N281 R282 L287 L289 L293 T298 L300L278-N280 PolarHBondContact O-N 2.93Å; L278-N280 VanDerWaalsContact O-N 3.11Å; L278-N281 CarbonylContact O-C 3.6Å; L278-N281 PolarHBondContact O-N 3.19Å; L278-R282 HydrophobicContact CG-CG 4.47Å; L278-R282 WeakPolarHBondContact O-CG 3.49Å; L278-R282 PolarHBondContact O-N 2.85Å; L278-L287 HydrophobicContact CD1-CD2 3.73Å; L278-L289 HydrophobicContact CD1-CD2 3.37Å; L278-L289 HydrophobicContact CD2-CD2 4.12Å; L278-L289 HydrophobicContact CG-CD2 4.38Å; L278-L293 HydrophobicContact CD1-CD1 4.3Å; L278-T298 HydrophobicContact CD2-CG2 4.03Å; L278-T298 WeakPolarHBondContact CD2-O 3.39Å; L278-L300 HydrophobicContact CB-CD2 4.45Å; L278-L300 HydrophobicContact CB-CG 4.35Å; L278-L300 HydrophobicContact CD1-CD2 4.14Å
279A84.9Confident87.2Confident64 Ų6455.9 Ų55.953%0.52929%0.287SS..G310 helixtrans-52.3-37.1-178.900000113.3F277 N281F277-A279 PolarHBondContact O-N 2.96Å; A279-N281 VanDerWaalsContact C-N 3.3Å; A279-N281 PolarHBondContact O-N 2.8Å
280N84.5Confident86.7Confident123 Ų12351.7 Ų51.766%0.65826%0.259SS*.G310 helixtrans-83.2-6.1-178.9-62-10.6000113.5F277 L278F277-N280 PolarHBondContact O-N 2.62Å; L278-N280 PolarHBondContact O-N 2.93Å; L278-N280 VanDerWaalsContact O-N 3.11Å
281N82.5Confident86.1Confident3 Ų348.2 Ų48.22%0.01625%0.245CC..G310 helixtrans-126.78.2-169.9-63.9-75000113.4P252 V253 F277 L278 A279 E283 K284 L287P252-N281 PolarHBondContact O-OD1 3.4Å; V253-N281 WeakPolarHBondContact CA-OD1 3.44Å; V253-N281 PolarHBondContact O-ND2 2.83Å; V253-N281 PolarHBondContact O-OD1 2.9Å; F277-N281 PolarHBondContact O-ND2 2.81Å; L278-N281 CarbonylContact O-C 3.6Å; L278-N281 PolarHBondContact O-N 3.19Å; A279-N281 VanDerWaalsContact C-N 3.3Å; A279-N281 PolarHBondContact O-N 2.8Å; N281-E283 PolarHBondContact O-N 3.42Å; N281-K284 HydrophobicContact CB-CD 4.12Å; N281-K284 WeakPolarHBondContact O-CB 3.26Å; N281-K284 PolarHBondContact O-N 2.88Å; N281-K284 VanDerWaalsContact OD1-CD 3.31Å; N281-K284 WeakPolarHBondContact OD1-CD 3.31Å; N281-K284 VanDerWaalsContact OD1-CE 3.26Å; N281-K284 WeakPolarHBondContact OD1-CE 3.41Å; N281-K284 PolarHBondContact OD1-NZ 2.73Å; N281-L287 HydrophobicContact CB-CD2 3.94Å
282R77.9Confident85.1Confident95 Ų9547 Ų4736%0.35823%0.234SC..THydrogen-bonded Turntrans-58.2-24.2-174.5-68.4-172.1172.6-176.9-2.1114.7Q130 L278 L293Q130-R282 PolarHBondContact NE2-O 2.97Å; L278-R282 HydrophobicContact CG-CG 4.47Å; L278-R282 WeakPolarHBondContact O-CG 3.49Å; L278-R282 PolarHBondContact O-N 2.85Å; R282-L293 HydrophobicContact CG-CD1 4.44Å
283E75.3Confident84Confident191 Ų19148.6 Ų48.689%0.89324%0.242SC*.THydrogen-bonded Turntrans-93.9-2.4-178.4-61.5179.4179.200112.8N281N281-E283 PolarHBondContact O-N 3.42Å
284K77Confident82.8Confident76 Ų7647.1 Ų47.133%0.3323%0.229SC..  trans-82.4127.3-175.3-67.5-175.31791680111.4Q130 P252 N281Q130-K284 PolarHBondContact OE1-O 2.86Å; P252-K284 PolarHBondContact O-NZ 2.82Å; N281-K284 HydrophobicContact CB-CD 4.12Å; N281-K284 WeakPolarHBondContact O-CB 3.26Å; N281-K284 PolarHBondContact O-N 2.88Å; N281-K284 VanDerWaalsContact OD1-CD 3.31Å; N281-K284 WeakPolarHBondContact OD1-CD 3.31Å; N281-K284 VanDerWaalsContact OD1-CE 3.26Å; N281-K284 WeakPolarHBondContact OD1-CE 3.41Å; N281-K284 PolarHBondContact OD1-NZ 2.73Å
285R74.5Confident82Confident125 Ų12548.3 Ų48.347%0.47223%0.234SC..THydrogen-bonded Turntrans-66.9147.4172.4178.4174.4-166.8-160.24.9111.6G132 D135 C251 L287G132-R285 VanDerWaalsContact CA-CG 3.4Å; D135-R285 IonicContact OD1-CZ 2.94Å; D135-R285 IonicContact OD1-NH2 2.93Å; D135-R285 PolarHBondContact OD1-NH2 3.38Å; D135-R285 IonicContact OD2-CZ 2.72Å; D135-R285 VanDerWaalsContact OD2-CZ 3.24Å; D135-R285 IonicContact OD2-NE 3.39Å; D135-R285 PolarHBondContact OD2-NE 2.86Å; D135-R285 IonicContact OD2-NH2 2.76Å; D135-R285 PolarHBondContact OD2-NH2 2.65Å; C251-R285 PolarHBondContact SG-O 3.03Å; R285-L287 PolarHBondContact O-N 3.47Å
286G75.5Confident81.1Confident3 Ų352.1 Ų52.13%0.03125%0.25CC..THydrogen-bonded Turntrans72.815169.300000114Q130 Y249 C251Q130-G286 PolarHBondContact O-N 2.83Å; Y249-G286 WeakPolarHBondContact CB-O 3.44Å; C251-G286 VanDerWaalsContact SG-C 3.59Å; C251-G286 PolarHBondContact SG-O 3.43Å
287L86.5Confident80.6Confident0 Ų054.6 Ų54.60%026%0.263CS..  trans-79128175.6-17171.5000109.6Q130 C251 V253 L278 N281 R285 L289 L300Q130-L287 HydrophobicContact CB-CB 4.31Å; Q130-L287 WeakPolarHBondContact CB-O 3.15Å; Q130-L287 PolarHBondContact N-O 2.82Å; C251-L287 HydrophobicContact CB-CD1 4.1Å; V253-L287 HydrophobicContact CG1-CD1 3.54Å; L278-L287 HydrophobicContact CD1-CD2 3.73Å; N281-L287 HydrophobicContact CB-CD2 3.94Å; R285-L287 PolarHBondContact O-N 3.47Å; L287-L289 HydrophobicContact CD2-CD2 3.84Å; L287-L289 HydrophobicContact CG-CD2 4.08Å; L287-L300 HydrophobicContact CD1-CD2 3.83Å; L287-L300 HydrophobicContact CD2-CD2 3.76Å; L287-L300 HydrophobicContact CG-CD2 3.98Å
288A89.9Confident80.5Confident0 Ų050.5 Ų50.50%025%0.245CC..EExtended strand (participates in β ladder)trans-81.9130.4172.400000110.4V127 T128 L129 Q237 A239 A301 V319V127-A288 HydrophobicContact CG2-CB 4.1Å; T128-A288 CarbonylContact O-C 3.5Å; L129-A288 HydrophobicContact CD2-CB 3.87Å; Q237-A288 PolarHBondContact NE2-O 3.07Å; A239-A288 HydrophobicContact CB-CB 3.96Å; A288-A301 HydrophobicContact CB-CB 3.69Å; A288-A301 WeakPolarHBondContact O-CB 3.41Å; A288-A301 PolarHBondContact O-N 3.32Å; A288-V319 HydrophobicContact CB-CG1 4.42Å; A288-V319 HydrophobicContact CB-CG2 3.69Å
289L90.3Very high80.6Confident3 Ų352.7 Ų52.72%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-121.1154.4-179.3-54.8178.4000109.3V127 T128 L278 L287 G291 L293 T298 N299 L300V127-L289 CarbonylContact C-O 3.55Å; V127-L289 WeakPolarHBondContact CA-O 3.43Å; T128-L289 PolarHBondContact N-O 3.07Å; T128-L289 PolarHBondContact O-N 3.47Å; L278-L289 HydrophobicContact CD1-CD2 3.37Å; L278-L289 HydrophobicContact CD2-CD2 4.12Å; L278-L289 HydrophobicContact CG-CD2 4.38Å; L287-L289 HydrophobicContact CD2-CD2 3.84Å; L287-L289 HydrophobicContact CG-CD2 4.08Å; L289-G291 WeakPolarHBondContact CB-O 3.44Å; L289-G291 PolarHBondContact O-N 2.9Å; L289-L293 HydrophobicContact CD1-CB 4.09Å; L289-L293 HydrophobicContact CD1-CD1 3.69Å; L289-L293 HydrophobicContact CD1-CG 4.49Å; L289-T298 HydrophobicContact CB-CG2 4.01Å; L289-T298 HydrophobicContact CD1-CG2 4.3Å; L289-N299 WeakPolarHBondContact CA-O 3.26Å; L289-L300 HydrophobicContact CD2-CD2 4.49Å
290D86.5Confident80.9Confident8 Ų849.7 Ų49.74%0.04323%0.232CC..SBendtrans-84.95.6173.467-2.3000113.1R169 N299 H353R169-D290 WeakPolarHBondContact CD-O 3.34Å; R169-D290 IonicContact NH1-OD1 3.09Å; D290-N299 PolarHBondContact N-O 2.81Å; D290-N299 PolarHBondContact OD1-N 3Å; D290-H353 IonicContact OD2-CE1 2.65Å; D290-H353 PolarHBondContact OD2-CE1 3.08Å; D290-H353 IonicContact OD2-NE2 3.56Å
291G82.1Confident81.2Confident6 Ų644 Ų446%0.06220%0.202CC..SBendtrans-168.4-171.8-174.600000112.1L289L289-G291 WeakPolarHBondContact CB-O 3.44Å; L289-G291 PolarHBondContact O-N 2.9Å
292K75.8Confident81.7Confident53 Ų5344.9 Ų44.923%0.2321%0.208CC..  trans-84.1133.9177.1-62-170.8171.2-170.30109.9K294 H295 T298 E404K292-K294 HydrophobicContact CB-CG 4.1Å; K292-K294 PolarHBondContact O-N 2.92Å; K292-H295 PolarHBondContact O-N 2.82Å; K292-T298 PolarHBondContact O-OG1 2.76Å; K292-E404 IonicContact NZ-OE1 3.31Å; K292-E404 IonicContact NZ-OE2 2.89Å; K292-E404 PolarHBondContact NZ-OE2 3.07Å
293L73.3Confident82.3Confident38 Ų3840.7 Ų40.720%0.19919%0.194CC..THydrogen-bonded Turntrans-52.3-26.6-179.7-16474.6000114L278 R282 L289 H295 L396 M399L278-L293 HydrophobicContact CD1-CD1 4.3Å; R282-L293 HydrophobicContact CG-CD1 4.44Å; L289-L293 HydrophobicContact CD1-CB 4.09Å; L289-L293 HydrophobicContact CD1-CD1 3.69Å; L289-L293 HydrophobicContact CD1-CG 4.49Å; L293-H295 VanDerWaalsContact C-N 3.29Å; L293-H295 PolarHBondContact O-N 3.36Å; L293-L396 WeakPolarHBondContact O-CD1 3.49Å; L293-M399 HydrophobicContact CB-CE 3.99Å; L293-M399 HydrophobicContact CD2-CE 3.46Å; L293-M399 VanDerWaalsContact CD2-CE 3.46Å; L293-M399 HydrophobicContact CG-CE 3.45Å; L293-M399 VanDerWaalsContact CG-CE 3.45Å; L293-M399 WeakPolarHBondContact O-CE 3.46Å
294K72Confident83Confident45 Ų4533.3 Ų33.320%0.19616%0.162CC..THydrogen-bonded Turntrans-69.7-19.9177.870.3178.2-177.1172.60114.8K292 R395 L396 E405K292-K294 HydrophobicContact CB-CG 4.1Å; K292-K294 PolarHBondContact O-N 2.92Å; K294-R395 WeakPolarHBondContact O-CA 3.41Å; K294-L396 PolarHBondContact O-N 3.02Å; K294-E405 IonicContact NZ-OE1 2.62Å; K294-E405 PolarHBondContact NZ-OE1 2.76Å
295H77.3Confident83.2Confident32 Ų3232.5 Ų32.515%0.14816%0.161CC..BIsolated β-bridgetrans-90.3139.2-177.1-49.6149.1000111.2K292 L293 D297 T298 R393K292-H295 PolarHBondContact O-N 2.82Å; L293-H295 VanDerWaalsContact C-N 3.29Å; L293-H295 PolarHBondContact O-N 3.36Å; H295-D297 VanDerWaalsContact C-N 3.26Å; H295-D297 WeakPolarHBondContact CB-OD1 3.39Å; H295-D297 PolarHBondContact O-N 3.48Å; H295-T298 WeakPolarHBondContact O-CB 3.4Å; H295-T298 PolarHBondContact O-N 3.29Å; H295-T298 PolarHBondContact O-OG1 2.72Å; H295-R393 HydrophobicContact CB-CB 4.23Å; H295-R393 WeakPolarHBondContact ND1-CD 3.37Å
296E74Confident83.2Confident120 Ų12030.6 Ų30.656%0.56116%0.16SC*.THydrogen-bonded Turntrans-65.6-29.3-179.6-174.9172.9179.600113.1T298 Q394 L396E296-T298 VanDerWaalsContact C-N 3.27Å; E296-T298 PolarHBondContact O-N 2.7Å; E296-Q394 PolarHBondContact N-O 3.39Å; E296-L396 HydrophobicContact CB-CD2 4.14Å; E296-L396 HydrophobicContact CB-CG 4.2Å; E296-L396 HydrophobicContact CG-CD2 4.1Å
297D80.1Confident83.1Confident54 Ų5435 Ų3529%0.28918%0.175SC..THydrogen-bonded Turntrans-88.619.8-178.364.6-9.6000114R169 H295 R393R169-D297 IonicContact CZ-OD2 3.63Å; R169-D297 PolarHBondContact NH1-O 2.68Å; R169-D297 PolarHBondContact NH2-O 3.16Å; R169-D297 IonicContact NH2-OD2 2.63Å; R169-D297 PolarHBondContact NH2-OD2 3.03Å; H295-D297 VanDerWaalsContact C-N 3.26Å; H295-D297 WeakPolarHBondContact CB-OD1 3.39Å; H295-D297 PolarHBondContact O-N 3.48Å; D297-R393 IonicContact OD2-CZ 2.83Å; D297-R393 IonicContact OD2-NH1 3.81Å; D297-R393 PolarHBondContact OD2-NH1 2.95Å
298T84.1Confident82.1Confident8 Ų844.8 Ų44.85%0.04922%0.221CC..  trans-94133.9178.2-62.20000110.6L278 L289 K292 H295 E296L278-T298 HydrophobicContact CD2-CG2 4.03Å; L278-T298 WeakPolarHBondContact CD2-O 3.39Å; L289-T298 HydrophobicContact CB-CG2 4.01Å; L289-T298 HydrophobicContact CD1-CG2 4.3Å; K292-T298 PolarHBondContact O-OG1 2.76Å; H295-T298 WeakPolarHBondContact O-CB 3.4Å; H295-T298 PolarHBondContact O-N 3.29Å; H295-T298 PolarHBondContact O-OG1 2.72Å; E296-T298 VanDerWaalsContact C-N 3.27Å; E296-T298 PolarHBondContact O-N 2.7Å
299N88.9Confident81.1Confident59 Ų5949 Ų4932%0.31626%0.264SS..  trans-121.6-179.9175.6-69.9-60.2000110.7L289 D290 H353L289-N299 WeakPolarHBondContact CA-O 3.26Å; D290-N299 PolarHBondContact N-O 2.81Å; D290-N299 PolarHBondContact OD1-N 3Å; N299-H353 PolarHBondContact ND2-NE2 2.94Å
300L90.9Very high80Confident1 Ų150.6 Ų50.61%0.00528%0.278CS..BIsolated β-bridgetrans-60.3144.6166.1-64.2174.6000109.1H210 V253 P276 L278 L287 L289 S302 Y321 L351H210-L300 PolarHBondContact CE1-O 2.95Å; H210-L300 PolarHBondContact NE2-O 2.77Å; V253-L300 HydrophobicContact CB-CD1 4.27Å; V253-L300 HydrophobicContact CG1-CD1 4.36Å; V253-L300 HydrophobicContact CG1-CD2 4.28Å; P276-L300 HydrophobicContact CB-CD1 4.01Å; L278-L300 HydrophobicContact CB-CD2 4.45Å; L278-L300 HydrophobicContact CB-CG 4.35Å; L278-L300 HydrophobicContact CD1-CD2 4.14Å; L287-L300 HydrophobicContact CD1-CD2 3.83Å; L287-L300 HydrophobicContact CD2-CD2 3.76Å; L287-L300 HydrophobicContact CG-CD2 3.98Å; L289-L300 HydrophobicContact CD2-CD2 4.49Å; L300-S302 PolarHBondContact O-N 2.83Å; L300-Y321 WeakPolarHBondContact CB-OH 3.43Å; L300-L351 HydrophobicContact CB-CD2 4.43Å; L300-L351 HydrophobicContact CD1-CD2 4.39Å
301A91.7Very high79.3Confident3 Ų354.2 Ų54.23%0.02530%0.297CS..PPolyproline II helixtrans-58.6136.817700000110.5V127 A288 V319 Y321V127-A301 HydrophobicContact CG2-CB 3.95Å; A288-A301 HydrophobicContact CB-CB 3.69Å; A288-A301 WeakPolarHBondContact O-CB 3.41Å; A288-A301 PolarHBondContact O-N 3.32Å; A301-V319 HydrophobicContact CB-CB 4.38Å; A301-V319 HydrophobicContact CB-CG1 4.07Å; A301-V319 HydrophobicContact CB-CG2 3.86Å; A301-Y321 VanDerWaalsContact O-CE2 3.24Å; A301-Y321 WeakPolarHBondContact O-CE2 3.34Å; A301-Y321 VanDerWaalsContact O-CZ 3.31Å; A301-Y321 PolarHBondContact O-OH 2.79Å
302S91.6Very high78.9Confident22 Ų2260.4 Ų60.415%0.15432%0.319CS..PPolyproline II helixtrans-71.8154.5176-57.60000110.5H210 L300 T304 L351 H353H210-S302 PolarHBondContact NE2-OG 2.83Å; H210-S302 VanDerWaalsContact NE2-OG 3.12Å; L300-S302 PolarHBondContact O-N 2.83Å; S302-T304 PolarHBondContact O-N 2.84Å; S302-L351 CarbonylContact C-O 3.59Å; S302-L351 WeakPolarHBondContact CA-O 2.85Å; S302-L351 WeakPolarHBondContact CB-O 3.42Å; S302-H353 PolarHBondContact OG-ND1 3.13Å
303S91.7Very high78.7Confident7 Ų763.5 Ų63.55%0.04933%0.334CS..PPolyproline II helixtrans-57.8133175.3-69.70000110.8L305 V319 Y321 T350 L351S303-L305 PolarHBondContact O-N 3.31Å; S303-V319 WeakPolarHBondContact CA-O 3.49Å; S303-Y321 WeakPolarHBondContact OG-CD2 3.43Å; S303-T350 WeakPolarHBondContact OG-CA 3.36Å; S303-L351 PolarHBondContact N-O 2.99Å; S303-L351 PolarHBondContact OG-N 2.9Å
304T88.6Confident78.6Confident37 Ų3765.4 Ų65.423%0.22734%0.343CS..  trans-78.6114.1177.1-510000109.9S302 L306 L315 V319S302-T304 PolarHBondContact O-N 2.84Å; T304-L306 HydrophobicContact CG2-CD2 4.29Å; T304-L306 PolarHBondContact O-N 2.93Å; T304-L315 HydrophobicContact CG2-CD1 4.32Å; T304-V319 PolarHBondContact N-O 2.83Å; T304-V319 PolarHBondContact OG1-N 3.25Å
305L82.9Confident78.6Confident58 Ų5863.9 Ų63.930%0.30434%0.337SS..PPolyproline II helixtrans-81.2117.3173.3-59.2-176.7000109.9I31 S303 T350 M352I31-L305 HydrophobicContact CD1-CD1 3.99Å; I31-L305 HydrophobicContact CG1-CD1 4.36Å; S303-L305 PolarHBondContact O-N 3.31Å; L305-T350 HydrophobicContact CD2-CG2 4.25Å; L305-M352 HydrophobicContact CD1-CE 3.74Å; L305-M352 HydrophobicContact CD1-SD 3.99Å; L305-M352 HydrophobicContact CD2-SD 4.45Å; L305-M352 HydrophobicContact CG-CE 4.1Å; L305-M352 HydrophobicContact CG-SD 4.3Å
306L73.8Confident78.8Confident86 Ų8662.3 Ų62.345%0.4533%0.33SS..PPolyproline II helixtrans-87.4124.5176.7-58.9178.9000109.5T304 L315 I318T304-L306 HydrophobicContact CG2-CD2 4.29Å; T304-L306 PolarHBondContact O-N 2.93Å; L306-L315 HydrophobicContact CD2-CD1 3.02Å; L306-I318 HydrophobicContact CD2-CD1 4.19Å
307R72.3Confident79.4Confident96 Ų9656.7 Ų56.736%0.36230%0.304SS..PPolyproline II helixtrans-75.1145.9166.5-70.2-173.3175.8-152.74.8110.3I31 G309 A310I31-R307 VanDerWaalsContact C-NH2 3.31Å; I31-R307 PolarHBondContact O-NH2 3.3Å; R307-G309 PolarHBondContact O-N 2.84Å; R307-A310 HydrophobicContact CB-CB 4.24Å; R307-A310 VanDerWaalsContact O-CB 3.24Å; R307-A310 WeakPolarHBondContact O-CB 2.9Å; R307-A310 PolarHBondContact O-N 2.88Å
308E67.1Low79.8Confident205 Ų20554.6 Ų54.696%0.95829%0.293SS*.THydrogen-bonded Turntrans-58.5124.1171.4-68.5-174.616600109.8
309G67.6Low80.2Confident88 Ų8854.3 Ų54.391%0.90729%0.291SS*.THydrogen-bonded Turntrans85.50-175.500000115.7R307R307-G309 PolarHBondContact O-N 2.84Å
310A68.7Low80.5Confident37 Ų3753.3 Ų53.331%0.30629%0.289SS..  trans-69.5132.4173.700000111.4R307 R312R307-A310 HydrophobicContact CB-CB 4.24Å; R307-A310 VanDerWaalsContact O-CB 3.24Å; R307-A310 WeakPolarHBondContact O-CB 2.9Å; R307-A310 PolarHBondContact O-N 2.88Å; A310-R312 PolarHBondContact O-N 2.81Å
311N71.9Confident80.7Confident83 Ų8353.3 Ų53.344%0.44429%0.289SS..  trans-73.3114.6175.4-173.9-9.3000109.7E313 I314N311-E313 PolarHBondContact O-N 2.89Å; N311-E313 VanDerWaalsContact O-N 3.15Å; N311-E313 WeakPolarHBondContact OD1-CB 3.13Å; N311-E313 PolarHBondContact OD1-N 3.46Å; N311-E313 VanDerWaalsContact OD1-N 3.12Å; N311-I314 HydrophobicContact CB-CB 4.48Å; N311-I314 HydrophobicContact CB-CD1 3.76Å; N311-I314 HydrophobicContact CB-CG1 3.9Å; N311-I314 WeakPolarHBondContact O-CB 3.22Å; N311-I314 PolarHBondContact O-N 2.9Å
312R73.2Confident80.9Confident137 Ų13756.6 Ų56.652%0.51730%0.302SS..THydrogen-bonded Turntrans-57.1-29.7-178.6-65-177.772.9178.12.1112.8C242 A310 I314 L315 I318C242-R312 WeakPolarHBondContact CB-O 3.37Å; A310-R312 PolarHBondContact O-N 2.81Å; R312-I314 VanDerWaalsContact C-N 3.35Å; R312-L315 PolarHBondContact O-N 3.19Å; R312-I318 HydrophobicContact CB-CD1 4.09Å; R312-I318 HydrophobicContact CG-CD1 4.28Å
313E70.8Confident81.1Confident117 Ų11755.5 Ų55.555%0.54730%0.295SS..THydrogen-bonded Turntrans-66.6-37.3177.2-61.9-177.8173.300111.5L243 N311 L315 G316L243-E313 HydrophobicContact CD1-CB 4.46Å; L243-E313 WeakPolarHBondContact CD1-O 3.36Å; N311-E313 PolarHBondContact O-N 2.89Å; N311-E313 VanDerWaalsContact O-N 3.15Å; N311-E313 WeakPolarHBondContact OD1-CB 3.13Å; N311-E313 PolarHBondContact OD1-N 3.46Å; N311-E313 VanDerWaalsContact OD1-N 3.12Å; E313-L315 PolarHBondContact O-N 2.74Å; E313-L315 VanDerWaalsContact O-N 3.16Å; E313-G316 PolarHBondContact O-N 2.83Å
314I70.9Confident81.4Confident78 Ų7857.1 Ų57.140%0.430%0.301SS..THydrogen-bonded Turntrans-66.6-21.4-176.7-62.5178.8000111.9P124 N311 R312 G316P124-I314 WeakPolarHBondContact CD-O 3.41Å; N311-I314 HydrophobicContact CB-CB 4.48Å; N311-I314 HydrophobicContact CB-CD1 3.76Å; N311-I314 HydrophobicContact CB-CG1 3.9Å; N311-I314 WeakPolarHBondContact O-CB 3.22Å; N311-I314 PolarHBondContact O-N 2.9Å; R312-I314 VanDerWaalsContact C-N 3.35Å; I314-G316 VanDerWaalsContact C-N 3.31Å; I314-G316 PolarHBondContact O-N 2.76Å
315L72.4Confident81.7Confident13 Ų1355.3 Ų55.37%0.06829%0.29CS..THydrogen-bonded Turntrans-79.7-11.9-177.5-62.9172.3000113.8P124 T304 L306 R312 E313 I317 I318P124-L315 HydrophobicContact CB-CB 4.46Å; P124-L315 HydrophobicContact CB-CD2 4.28Å; P124-L315 WeakPolarHBondContact CB-O 3.49Å; T304-L315 HydrophobicContact CG2-CD1 4.32Å; L306-L315 HydrophobicContact CD2-CD1 3.02Å; R312-L315 PolarHBondContact O-N 3.19Å; E313-L315 PolarHBondContact O-N 2.74Å; E313-L315 VanDerWaalsContact O-N 3.16Å; L315-I317 VanDerWaalsContact C-N 3.26Å; L315-I317 PolarHBondContact O-N 2.86Å; L315-I318 HydrophobicContact CB-CG1 4.35Å; L315-I318 HydrophobicContact CD1-CG1 4.48Å
316G81.2Confident82.3Confident0 Ų055.8 Ų55.80%029%0.289CS..SBendtrans70.4-75.6179.100000112.9C242 E313 I314C242-G316 PolarHBondContact N-O 3.03Å; E313-G316 PolarHBondContact O-N 2.83Å; I314-G316 VanDerWaalsContact C-N 3.31Å; I314-G316 PolarHBondContact O-N 2.76Å
317I86.8Confident83.3Confident2 Ų251.7 Ų51.71%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-123.5119.4-178.3-46.8-179000109.2F61 V127 L129 A239 D240 L315 V319F61-I317 HydrophobicContact CE2-CD1 4.21Å; F61-I317 HydrophobicContact CE2-CG1 3.75Å; V127-I317 HydrophobicContact CG1-CB 3.84Å; V127-I317 HydrophobicContact CG1-CD1 4.16Å; V127-I317 HydrophobicContact CG1-CG1 4.23Å; V127-I317 HydrophobicContact CG2-CB 4.38Å; V127-I317 HydrophobicContact CG2-CG2 4.3Å; L129-I317 HydrophobicContact CD1-CD1 3.73Å; L129-I317 HydrophobicContact CD1-CG2 4.25Å; L129-I317 HydrophobicContact CG-CD1 3.87Å; L129-I317 HydrophobicContact CG-CG2 4.42Å; A239-I317 HydrophobicContact CB-CG2 4.21Å; D240-I317 WeakPolarHBondContact O-CA 3.47Å; L315-I317 VanDerWaalsContact C-N 3.26Å; L315-I317 PolarHBondContact O-N 2.86Å; I317-V319 HydrophobicContact CG2-CG2 4.28Å
318I89.6Confident84.2Confident10 Ų1048.6 Ų48.65%0.05126%0.26CS..EExtended strand (participates in β ladder)trans-97.9118.8175.6-59177.5000108.5A239 D240 C242 L306 R312 L315A239-I318 WeakPolarHBondContact CA-O 3.5Å; D240-I318 HydrophobicContact CB-CB 4.36Å; D240-I318 PolarHBondContact N-O 3.12Å; D240-I318 PolarHBondContact O-N 3.47Å; C242-I318 VanDerWaalsContact SG-CD1 3.53Å; L306-I318 HydrophobicContact CD2-CD1 4.19Å; R312-I318 HydrophobicContact CB-CD1 4.09Å; R312-I318 HydrophobicContact CG-CD1 4.28Å; L315-I318 HydrophobicContact CB-CG1 4.35Å; L315-I318 HydrophobicContact CD1-CG1 4.48Å
319V92.4Very high85.2Confident2 Ų239.3 Ų39.31%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-103.5130.1178.3-176.20000109.8V127 Q237 Y238 A288 A301 S303 T304 I317 Y321V127-V319 HydrophobicContact CG2-CG2 3.93Å; Q237-V319 HydrophobicContact CG-CG1 3.92Å; Y238-V319 CarbonylContact O-C 3.6Å; Y238-V319 WeakPolarHBondContact O-CA 3.35Å; A288-V319 HydrophobicContact CB-CG1 4.42Å; A288-V319 HydrophobicContact CB-CG2 3.69Å; A301-V319 HydrophobicContact CB-CB 4.38Å; A301-V319 HydrophobicContact CB-CG1 4.07Å; A301-V319 HydrophobicContact CB-CG2 3.86Å; S303-V319 WeakPolarHBondContact CA-O 3.49Å; T304-V319 PolarHBondContact N-O 2.83Å; T304-V319 PolarHBondContact OG1-N 3.25Å; I317-V319 HydrophobicContact CG2-CG2 4.28Å; V319-Y321 HydrophobicContact CG1-CD2 4.43Å; V319-Y321 HydrophobicContact CG1-CE2 3.72Å
320S93.8Very high85.8Confident38 Ų3836.2 Ų36.227%0.26618%0.181SC..EExtended strand (participates in β ladder)trans-139.3154.2173.863.20000111.5Y238Y238-S320 PolarHBondContact N-O 2.73Å; Y238-S320 PolarHBondContact O-N 2.89Å
321Y95.2Very high86Confident1 Ų140 Ų400%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-121.2143.2179.7-67.9-97.3000111.3V235 R236 Q237 V253 L300 A301 S303 V319 F349 L351V235-Y321 HydrophobicContact CG1-CD1 4.46Å; R236-Y321 WeakPolarHBondContact O-CA 3.29Å; Q237-Y321 HydrophobicContact CB-CD1 4Å; Q237-Y321 HydrophobicContact CB-CE1 3.63Å; Q237-Y321 HydrophobicContact CG-CD1 4.28Å; Q237-Y321 HydrophobicContact CG-CE1 3.67Å; Q237-Y321 HydrophobicContact CG-CE2 4.34Å; Q237-Y321 PolarHBondContact NE2-OH 2.58Å; V253-Y321 HydrophobicContact CG2-CD1 4.47Å; V253-Y321 HydrophobicContact CG2-CE1 4.34Å; L300-Y321 WeakPolarHBondContact CB-OH 3.43Å; A301-Y321 VanDerWaalsContact O-CE2 3.24Å; A301-Y321 WeakPolarHBondContact O-CE2 3.34Å; A301-Y321 VanDerWaalsContact O-CZ 3.31Å; A301-Y321 PolarHBondContact O-OH 2.79Å; S303-Y321 WeakPolarHBondContact OG-CD2 3.43Å; V319-Y321 HydrophobicContact CG1-CD2 4.43Å; V319-Y321 HydrophobicContact CG1-CE2 3.72Å; Y321-F349 VanDerWaalsContact CB-CZ 3.45Å; Y321-F349 HydrophobicContact CD1-CZ 4.22Å; Y321-F349 HydrophobicContact CG-CE2 4.37Å; Y321-F349 HydrophobicContact CG-CZ 4.09Å; Y321-F349 PolarHBondContact O-N 2.85Å; Y321-L351 HydrophobicContact CD1-CD2 4.29Å; Y321-L351 HydrophobicContact CD2-CB 3.79Å; Y321-L351 HydrophobicContact CD2-CD2 4.45Å; Y321-L351 HydrophobicContact CE1-CD2 3.75Å; Y321-L351 HydrophobicContact CE2-CB 3.85Å; Y321-L351 HydrophobicContact CE2-CD2 3.95Å; Y321-L351 HydrophobicContact CE2-CG 4.5Å; Y321-L351 HydrophobicContact CG-CB 4.22Å
322K96.1Very high85.3Confident71 Ų7138.5 Ų38.531%0.30919%0.192SC..EExtended strand (participates in β ladder)trans-138.3139.7171.6-51.2-176.5-179.3179.20111.1R236 Y238 E346 L347R236-K322 PolarHBondContact N-O 3.41Å; R236-K322 PolarHBondContact O-N 2.9Å; Y238-K322 HydrophobicContact CD2-CD 4.37Å; Y238-K322 HydrophobicContact CD2-CG 4.17Å; Y238-K322 HydrophobicContact CE2-CB 3.94Å; Y238-K322 HydrophobicContact CE2-CD 3.8Å; Y238-K322 HydrophobicContact CE2-CG 3.8Å; K322-E346 HydrophobicContact CD-CB 4.33Å; K322-L347 CarbonylContact C-O 3.53Å; K322-L347 WeakPolarHBondContact CA-O 3.33Å
323V96.9Very high84.5Confident0 Ų035.3 Ų35.30%020%0.201CC..EExtended strand (participates in β ladder)trans-83.8126.6163177.40000107.7L203 I214 V216 I233 S234 V235 V325 E346 L347 F349L203-V323 HydrophobicContact CD1-CG2 4.16Å; L203-V323 HydrophobicContact CD2-CB 4.29Å; L203-V323 HydrophobicContact CD2-CG1 4.46Å; L203-V323 HydrophobicContact CD2-CG2 3.94Å; I214-V323 HydrophobicContact CG2-CG2 4.29Å; V216-V323 HydrophobicContact CG1-CG1 3.95Å; V216-V323 HydrophobicContact CG2-CG1 3.8Å; V216-V323 HydrophobicContact CG2-CG2 4.44Å; I233-V323 HydrophobicContact CG2-CG1 3.95Å; S234-V323 CarbonylContact O-C 3.56Å; V235-V323 HydrophobicContact CG2-CG2 4.4Å; V323-V325 HydrophobicContact CG1-CG2 4.38Å; V323-E346 CarbonylContact O-C 3.59Å; V323-E346 VanDerWaalsContact O-CA 3.26Å; V323-E346 WeakPolarHBondContact O-CA 3.23Å; V323-L347 HydrophobicContact CB-CD1 4.45Å; V323-L347 HydrophobicContact CG1-CD1 4.49Å; V323-L347 PolarHBondContact N-O 3.26Å; V323-L347 PolarHBondContact O-N 3.16Å; V323-F349 HydrophobicContact CG2-CD1 3.83Å; V323-F349 HydrophobicContact CG2-CE1 3.7Å
324K96.6Very high83.5Confident40 Ų4038.5 Ų38.517%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-110.7120.1172.6-178.3175-162.3130.90109.9I233 S234 V345 E346I233-K324 WeakPolarHBondContact CA-O 3.43Å; S234-K324 PolarHBondContact N-O 2.84Å; S234-K324 PolarHBondContact O-N 2.86Å; K324-V345 WeakPolarHBondContact CA-O 3.4Å; K324-E346 HydrophobicContact CB-CG 4.04Å; K324-E346 HydrophobicContact CD-CG 4.23Å; K324-E346 WeakPolarHBondContact CD-OE1 3.19Å; K324-E346 WeakPolarHBondContact CE-OE1 3.25Å; K324-E346 HydrophobicContact CG-CG 3.91Å; K324-E346 IonicContact NZ-OE1 3.97Å; K324-E346 PolarHBondContact NZ-OE1 3.09Å
325V96.7Very high82.6Confident0 Ų042.9 Ų42.90%025%0.245CC..EExtended strand (participates in β ladder)trans-100.8126170.4-177.70000107.9L199 A201 V216 V218 I231 I233 V323 A344 V345 L347L199-V325 HydrophobicContact CD1-CG1 4.18Å; A201-V325 HydrophobicContact CB-CG2 3.99Å; V216-V325 HydrophobicContact CG1-CG2 3.88Å; V218-V325 HydrophobicContact CG1-CG1 3.98Å; V218-V325 HydrophobicContact CG2-CG1 3.91Å; V218-V325 HydrophobicContact CG2-CG2 4.04Å; I231-V325 HydrophobicContact CG2-CG1 4.33Å; I233-V325 HydrophobicContact CG1-CG1 4.49Å; I233-V325 HydrophobicContact CG1-CG2 4.42Å; I233-V325 HydrophobicContact CG2-CG2 4.45Å; V323-V325 HydrophobicContact CG1-CG2 4.38Å; V325-A344 CarbonylContact O-C 3.55Å; V325-A344 WeakPolarHBondContact O-CA 3.21Å; V325-A344 VanDerWaalsContact O-CB 3.28Å; V325-A344 WeakPolarHBondContact O-CB 3.48Å; V325-V345 HydrophobicContact CB-CG2 3.99Å; V325-V345 PolarHBondContact N-O 2.86Å; V325-V345 PolarHBondContact O-N 3.21Å; V325-L347 HydrophobicContact CG2-CD1 4.46Å
326K95.6Very high81.6Confident67 Ų6744.8 Ų44.829%0.29127%0.267SS..EExtended strand (participates in β ladder)trans-129.3119.7-177.7-178.1-177.5-178.4-170.90110.2K232 D342 V343 A344K232-K326 HydrophobicContact CB-CB 4.38Å; K232-K326 PolarHBondContact N-O 2.79Å; K232-K326 PolarHBondContact O-N 2.84Å; K326-D342 HydrophobicContact CD-CB 4.39Å; K326-D342 WeakPolarHBondContact CE-OD2 3.5Å; K326-D342 HydrophobicContact CG-CB 4.2Å; K326-D342 IonicContact NZ-OD2 2.74Å; K326-D342 PolarHBondContact NZ-OD2 2.82Å; K326-V343 CarbonylContact C-O 3.53Å; K326-V343 WeakPolarHBondContact CA-O 3.43Å; K326-A344 HydrophobicContact CB-CB 4.09Å; K326-A344 HydrophobicContact CG-CB 4.22Å
327L93.2Very high80.2Confident0 Ų051.8 Ų51.80%030%0.304CS..EExtended strand (participates in β ladder)trans-89.7129.4172.2-55.4-179000110.1L197 L199 V220 V228 I231 V329 D342 V343L197-L327 HydrophobicContact CD2-CD1 4.19Å; L199-L327 HydrophobicContact CB-CD1 3.93Å; L199-L327 HydrophobicContact CD1-CD1 3.99Å; L199-L327 HydrophobicContact CD1-CD2 4.28Å; L199-L327 HydrophobicContact CD1-CG 4.17Å; L199-L327 HydrophobicContact CD2-CD1 4Å; L199-L327 HydrophobicContact CD2-CG 3.92Å; L199-L327 HydrophobicContact CG-CD1 4.19Å; L199-L327 HydrophobicContact CG-CG 4.5Å; V220-L327 HydrophobicContact CG1-CD1 3.9Å; V220-L327 HydrophobicContact CG2-CD1 3.95Å; V220-L327 HydrophobicContact CG2-CD2 3.92Å; V228-L327 HydrophobicContact CG1-CB 4.06Å; V228-L327 HydrophobicContact CG1-CD2 4.22Å; I231-L327 HydrophobicContact CB-CD2 4.35Å; I231-L327 HydrophobicContact CD1-CD2 4.04Å; I231-L327 HydrophobicContact CG1-CD2 3.74Å; I231-L327 HydrophobicContact CG2-CD2 4.06Å; L327-V329 HydrophobicContact CB-CG2 4.48Å; L327-D342 WeakPolarHBondContact O-CA 3.28Å; L327-V343 HydrophobicContact CB-CB 4.46Å; L327-V343 PolarHBondContact N-O 2.79Å; L327-V343 PolarHBondContact O-N 3.01Å; L327-V343 VanDerWaalsContact O-N 3.15Å
328V91.3Very high78.5Confident32 Ų3259.7 Ų59.719%0.19435%0.346CS..EExtended strand (participates in β ladder)trans-96.8106173-177.30000108.4K229 K230 K232K229-V328 PolarHBondContact N-O 3.22Å; K230-V328 HydrophobicContact CB-CB 4.2Å; K230-V328 HydrophobicContact CB-CG2 4.27Å; K230-V328 PolarHBondContact O-N 2.89Å; K232-V328 HydrophobicContact CD-CG2 4.45Å; K232-V328 HydrophobicContact CG-CG2 4.48Å
329V88.2Confident76.7Confident9 Ų961.5 Ų61.56%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-94.8135.3-174.3-171.90000110.9F190 L197 K226 V228 L327 V343F190-V329 HydrophobicContact CZ-CB 4.41Å; F190-V329 HydrophobicContact CZ-CG1 4.14Å; F190-V329 HydrophobicContact CZ-CG2 4.2Å; L197-V329 HydrophobicContact CD2-CG2 3.68Å; K226-V329 HydrophobicContact CB-CG1 3.67Å; K226-V329 HydrophobicContact CD-CG1 4.01Å; K226-V329 HydrophobicContact CG-CG1 4.47Å; V228-V329 HydrophobicContact CG2-CG2 4.44Å; L327-V329 HydrophobicContact CB-CG2 4.48Å; V329-V343 HydrophobicContact CG2-CG2 4.47Å
330S80.4Confident75Confident23 Ų2365.2 Ų65.216%0.16139%0.389CS..PPolyproline II helixtrans-66.7138.6175.571.90000111.4K226 T227K226-S330 WeakPolarHBondContact CD-O 3.28Å; T227-S330 PolarHBondContact N-OG 3.11Å; T227-S330 VanDerWaalsContact O-CB 3.26Å; T227-S330 WeakPolarHBondContact O-CB 3.45Å; T227-S330 PolarHBondContact O-N 2.77Å; T227-S330 PolarHBondContact O-OG 2.96Å
331R73Confident74Confident118 Ų11865.4 Ų65.445%0.44539%0.39SS..PPolyproline II helixtrans-86.7136.1169.3-73-169.7160.8-176.47.9109.9A339 S341R331-A339 VanDerWaalsContact CD-O 3.25Å; R331-A339 WeakPolarHBondContact CD-O 3.09Å; R331-A339 PolarHBondContact NE-O 3.07Å; R331-A339 PolarHBondContact NH1-O 2.72Å; R331-A339 VanDerWaalsContact NH1-O 3.14Å; R331-A339 VanDerWaalsContact NH2-C 3.28Å; R331-A339 PolarHBondContact NH2-O 3.02Å; R331-S341 PolarHBondContact NH2-OG 3.43Å
332G57.9Low73.5Confident51 Ų5167.4 Ų67.453%0.52640%0.401SS..  trans-108.3117.8165.300000107.9
333G55.9Low73.2Confident69 Ų6964.4 Ų64.471%0.71139%0.388SS*.SBendtrans159.9156.4-179.600000113.5L335G333-L335 PolarHBondContact O-N 3.12Å
334L49.1Very low73.1Confident185 Ų18566.4 Ų66.497%0.96940%0.404SS*.SBendtrans-76.2-7.7-170.5-159.371.5000115.3
335L52Low73.1Confident170 Ų17065 Ų6589%0.8940%0.399SS*.SBendtrans-112.783.7-176.8-78.5160000110.7G333G333-L335 PolarHBondContact O-N 3.12Å
336G51.3Low73Confident52 Ų5268 Ų6854%0.53641%0.413SS..  trans-45.2152.2-167.400000118.8L338G336-L338 VanDerWaalsContact C-N 3.27Å; G336-L338 PolarHBondContact O-N 2.86Å
337D52Low73Confident147 Ų14764.8 Ų64.879%0.78640%0.399SS*.SBendtrans363.9154.5-120.214.7000123.4A339D337-A339 PolarHBondContact O-N 3Å
338L51.5Low73.1Confident168 Ų16868.8 Ų68.888%0.8843%0.425SS*.SBendtrans-88.1-0.2-167-78.7158.3000116.6G336G336-L338 VanDerWaalsContact C-N 3.27Å; G336-L338 PolarHBondContact O-N 2.86Å
339A50.9Low73.2Confident49 Ų4967.6 Ų67.641%0.40542%0.417SS..SBendtrans-150145163.900000109.7R331 D337R331-A339 VanDerWaalsContact CD-O 3.25Å; R331-A339 WeakPolarHBondContact CD-O 3.09Å; R331-A339 PolarHBondContact NE-O 3.07Å; R331-A339 PolarHBondContact NH1-O 2.72Å; R331-A339 VanDerWaalsContact NH1-O 3.14Å; R331-A339 VanDerWaalsContact NH2-C 3.28Å; R331-A339 PolarHBondContact NH2-O 3.02Å; D337-A339 PolarHBondContact O-N 3Å
340S57.3Low73.4Confident80 Ų8068.2 Ų68.256%0.55942%0.421SS*.  trans-93138.9173.866.50000109D342S340-D342 WeakPolarHBondContact CB-OD1 3.49Å; S340-D342 WeakPolarHBondContact CB-OD2 3.39Å; S340-D342 VanDerWaalsContact OG-CG 3.31Å; S340-D342 PolarHBondContact OG-OD2 2.91Å
341S72.4Confident74Confident42 Ų4267.2 Ų67.229%0.29441%0.414SS..  trans-10563.1173.4-62.50000108.4R331R331-S341 PolarHBondContact NH2-OG 3.43Å
342D84.9Confident74.8Confident43 Ų4361.6 Ų61.623%0.2339%0.393CS..  trans-75.3141.8-175.2-58.4-34000110.8K326 L327 S340K326-D342 HydrophobicContact CD-CB 4.39Å; K326-D342 WeakPolarHBondContact CE-OD2 3.5Å; K326-D342 HydrophobicContact CG-CB 4.2Å; K326-D342 IonicContact NZ-OD2 2.74Å; K326-D342 PolarHBondContact NZ-OD2 2.82Å; L327-D342 WeakPolarHBondContact O-CA 3.28Å; S340-D342 WeakPolarHBondContact CB-OD1 3.49Å; S340-D342 WeakPolarHBondContact CB-OD2 3.39Å; S340-D342 VanDerWaalsContact OG-CG 3.31Å; S340-D342 PolarHBondContact OG-OD2 2.91Å
343V90.4Very high76.2Confident8 Ų860.6 Ų60.65%0.04838%0.375CS..EExtended strand (participates in β ladder)trans-109.9134.3174.4-178.10000107.7T186 R188 F190 L197 L199 K326 L327 V329T186-V343 HydrophobicContact CG2-CG1 3.49Å; T186-V343 VanDerWaalsContact CG2-CG1 3.49Å; R188-V343 HydrophobicContact CB-CG1 4.36Å; R188-V343 HydrophobicContact CB-CG2 3.71Å; R188-V343 HydrophobicContact CG-CG2 3.92Å; F190-V343 HydrophobicContact CZ-CG2 4.13Å; L197-V343 HydrophobicContact CD2-CG2 4.06Å; L199-V343 HydrophobicContact CB-CG1 4.36Å; L199-V343 HydrophobicContact CD2-CG1 4.14Å; K326-V343 CarbonylContact C-O 3.53Å; K326-V343 WeakPolarHBondContact CA-O 3.43Å; L327-V343 HydrophobicContact CB-CB 4.46Å; L327-V343 PolarHBondContact N-O 2.79Å; L327-V343 PolarHBondContact O-N 3.01Å; L327-V343 VanDerWaalsContact O-N 3.15Å; V329-V343 HydrophobicContact CG2-CG2 4.47Å
344A94.4Very high77.4Confident41 Ų4160.4 Ų60.434%0.33936%0.361SS..EExtended strand (participates in β ladder)trans-145.6148.5-179.800000112.7V325 K326V325-A344 CarbonylContact O-C 3.55Å; V325-A344 WeakPolarHBondContact O-CA 3.21Å; V325-A344 VanDerWaalsContact O-CB 3.28Å; V325-A344 WeakPolarHBondContact O-CB 3.48Å; K326-A344 HydrophobicContact CB-CB 4.09Å; K326-A344 HydrophobicContact CG-CB 4.22Å
345V95.7Very high78.8Confident11 Ų1155.4 Ų55.47%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-123151.8169.9-66.80000109.5A184 T186 L199 A201 K324 V325 L347A184-V345 HydrophobicContact CB-CB 4.18Å; T186-V345 HydrophobicContact CG2-CG1 3.43Å; T186-V345 VanDerWaalsContact CG2-CG1 3.43Å; L199-V345 HydrophobicContact CD2-CB 4.49Å; L199-V345 HydrophobicContact CD2-CG1 4.08Å; L199-V345 HydrophobicContact CD2-CG2 3.89Å; L199-V345 HydrophobicContact CG-CG1 4.25Å; L199-V345 HydrophobicContact CG-CG2 4.09Å; A201-V345 HydrophobicContact CB-CG2 3.86Å; K324-V345 WeakPolarHBondContact CA-O 3.4Å; V325-V345 HydrophobicContact CB-CG2 3.99Å; V325-V345 PolarHBondContact N-O 2.86Å; V325-V345 PolarHBondContact O-N 3.21Å; V345-L347 HydrophobicContact CG2-CD1 4.45Å
346E96Very high79.6Confident62 Ų6251 Ų5129%0.2931%0.313SS..EExtended strand (participates in β ladder)trans-124.5128.5175.3-62.4-169.2176.300109.3Y238 K322 V323 K324Y238-E346 PolarHBondContact OH-OE2 2.8Å; Y238-E346 VanDerWaalsContact OH-OE2 3.13Å; K322-E346 HydrophobicContact CD-CB 4.33Å; V323-E346 CarbonylContact O-C 3.59Å; V323-E346 VanDerWaalsContact O-CA 3.26Å; V323-E346 WeakPolarHBondContact O-CA 3.23Å; K324-E346 HydrophobicContact CB-CG 4.04Å; K324-E346 HydrophobicContact CD-CG 4.23Å; K324-E346 WeakPolarHBondContact CD-OE1 3.19Å; K324-E346 WeakPolarHBondContact CE-OE1 3.25Å; K324-E346 HydrophobicContact CG-CG 3.91Å; K324-E346 IonicContact NZ-OE1 3.97Å; K324-E346 PolarHBondContact NZ-OE1 3.09Å
347L95.4Very high80Confident1 Ų158.2 Ų58.21%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-111.4118177.9-56.9101.2000109.2P182 A184 A201 L203 K322 V323 V325 V345P182-L347 HydrophobicContact CB-CB 4.46Å; P182-L347 HydrophobicContact CB-CD2 4.43Å; P182-L347 WeakPolarHBondContact O-CD2 3Å; A184-L347 HydrophobicContact CB-CD2 4.07Å; A184-L347 HydrophobicContact CB-CG 3.89Å; A201-L347 HydrophobicContact CB-CD1 3.76Å; A201-L347 HydrophobicContact CB-CD2 4.39Å; A201-L347 VanDerWaalsContact O-CD2 3.32Å; A201-L347 WeakPolarHBondContact O-CD2 3.42Å; L203-L347 HydrophobicContact CD1-CB 4.11Å; L203-L347 HydrophobicContact CG-CB 4.26Å; L203-L347 HydrophobicContact CG-CD2 4.28Å; K322-L347 CarbonylContact C-O 3.53Å; K322-L347 WeakPolarHBondContact CA-O 3.33Å; V323-L347 HydrophobicContact CB-CD1 4.45Å; V323-L347 HydrophobicContact CG1-CD1 4.49Å; V323-L347 PolarHBondContact N-O 3.26Å; V323-L347 PolarHBondContact O-N 3.16Å; V325-L347 HydrophobicContact CG2-CD1 4.46Å; V345-L347 HydrophobicContact CG2-CD1 4.45Å
348P95Very high79.9Confident83 Ų8359.8 Ų59.854%0.53933%0.332SS..EExtended strand (participates in β ladder)trans-71146.6173.231.6-33.5000110.6
349F94.1Very high79.2Confident7 Ų759.7 Ų59.73%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-150165.8170.173.8-87000110.1L203 E206 Y208 I214 V235 Y321 V323 L351L203-F349 HydrophobicContact CD1-CB 3.85Å; L203-F349 HydrophobicContact CD1-CD1 4.34Å; L203-F349 HydrophobicContact CD1-CG 4.38Å; E206-F349 WeakPolarHBondContact O-CA 3.33Å; E206-F349 WeakPolarHBondContact O-CB 3.39Å; Y208-F349 HydrophobicContact CD2-CB 4.29Å; Y208-F349 AromaticContact CD2-CD2 3.61Å; Y208-F349 HydrophobicContact CD2-CD2 3.61Å; Y208-F349 HydrophobicContact CD2-CE2 4.23Å; Y208-F349 HydrophobicContact CD2-CG 4.18Å; Y208-F349 HydrophobicContact CE2-CB 4.26Å; Y208-F349 HydrophobicContact CE2-CD2 4.26Å; Y208-F349 HydrophobicContact CE2-CG 4.4Å; I214-F349 HydrophobicContact CD1-CE1 4.29Å; I214-F349 HydrophobicContact CD1-CE2 3.73Å; I214-F349 HydrophobicContact CD1-CZ 3.58Å; V235-F349 HydrophobicContact CG1-CE1 3.84Å; V235-F349 HydrophobicContact CG1-CZ 3.59Å; Y321-F349 VanDerWaalsContact CB-CZ 3.45Å; Y321-F349 HydrophobicContact CD1-CZ 4.22Å; Y321-F349 HydrophobicContact CG-CE2 4.37Å; Y321-F349 HydrophobicContact CG-CZ 4.09Å; Y321-F349 PolarHBondContact O-N 2.85Å; V323-F349 HydrophobicContact CG2-CD1 3.83Å; V323-F349 HydrophobicContact CG2-CE1 3.7Å; F349-L351 HydrophobicContact CE2-CB 4Å; F349-L351 HydrophobicContact CE2-CD1 4.49Å
350T92.7Very high78.4Confident23 Ų2363.1 Ų63.114%0.14135%0.345CS..EExtended strand (participates in β ladder)trans-107.7120.8-176.9-66.60000109.8E206 I207 Y208 S303 L305 M352E206-T350 PolarHBondContact O-N 2.8Å; I207-T350 CarbonylContact C-O 3.59Å; I207-T350 WeakPolarHBondContact CA-O 3.36Å; I207-T350 HydrophobicContact CG1-CG2 4.34Å; I207-T350 HydrophobicContact CG2-CG2 4.32Å; Y208-T350 PolarHBondContact N-O 3.38Å; S303-T350 WeakPolarHBondContact OG-CA 3.36Å; L305-T350 HydrophobicContact CD2-CG2 4.25Å; T350-M352 HydrophobicContact CG2-CG 3.64Å; T350-M352 HydrophobicContact CG2-SD 3.46Å; T350-M352 WeakPolarHBondContact CG2-SD 3.47Å
351L92.3Very high77.6Confident1 Ų166.3 Ų66.31%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-106.9119.2176.3-175.268.6000109.4Y208 H210 L300 S302 S303 Y321 F349Y208-L351 WeakPolarHBondContact O-CA 3.24Å; H210-L351 VanDerWaalsContact CE1-CD2 3.49Å; H210-L351 WeakPolarHBondContact CE1-CD2 3.23Å; L300-L351 HydrophobicContact CB-CD2 4.43Å; L300-L351 HydrophobicContact CD1-CD2 4.39Å; S302-L351 CarbonylContact C-O 3.59Å; S302-L351 WeakPolarHBondContact CA-O 2.85Å; S302-L351 WeakPolarHBondContact CB-O 3.42Å; S303-L351 PolarHBondContact N-O 2.99Å; S303-L351 PolarHBondContact OG-N 2.9Å; Y321-L351 HydrophobicContact CD1-CD2 4.29Å; Y321-L351 HydrophobicContact CD2-CB 3.79Å; Y321-L351 HydrophobicContact CD2-CD2 4.45Å; Y321-L351 HydrophobicContact CE1-CD2 3.75Å; Y321-L351 HydrophobicContact CE2-CB 3.85Å; Y321-L351 HydrophobicContact CE2-CD2 3.95Å; Y321-L351 HydrophobicContact CE2-CG 4.5Å; Y321-L351 HydrophobicContact CG-CB 4.22Å; F349-L351 HydrophobicContact CE2-CB 4Å; F349-L351 HydrophobicContact CE2-CD1 4.49Å
352M90.2Very high76.2Confident0 Ų072.4 Ų72.40%038%0.379CS..EExtended strand (participates in β ladder)trans-143.7173-175.3-64.1-177.68700112.3Q172 Y173 A174 Y208 Y209 H210 L305 T350Q172-M352 HydrophobicContact CB-CE 3.71Å; Q172-M352 HydrophobicContact CG-CE 3.43Å; Q172-M352 VanDerWaalsContact CG-CE 3.43Å; Y173-M352 WeakPolarHBondContact O-CE 3.46Å; A174-M352 HydrophobicContact CB-CB 4.11Å; A174-M352 HydrophobicContact CB-SD 4.4Å; Y208-M352 PolarHBondContact O-N 2.76Å; Y209-M352 VanDerWaalsContact CA-O 3.31Å; Y209-M352 WeakPolarHBondContact CA-O 3.37Å; H210-M352 PolarHBondContact CD2-O 2.76Å; H210-M352 PolarHBondContact N-O 2.81Å; L305-M352 HydrophobicContact CD1-CE 3.74Å; L305-M352 HydrophobicContact CD1-SD 3.99Å; L305-M352 HydrophobicContact CD2-SD 4.45Å; L305-M352 HydrophobicContact CG-CE 4.1Å; L305-M352 HydrophobicContact CG-SD 4.3Å; T350-M352 HydrophobicContact CG2-CG 3.64Å; T350-M352 HydrophobicContact CG2-SD 3.46Å; T350-M352 WeakPolarHBondContact CG2-SD 3.47Å
353H85.7Confident73.7Confident31 Ų3181.9 Ų81.914%0.14441%0.411CS..BIsolated β-bridgetrans-79.1146.8170.5-74.382000111.1Y173 A174 H210 D290 N299 S302Y173-H353 HydrophobicContact CD1-CB 3.4Å; Y173-H353 WeakPolarHBondContact CD1-O 3.48Å; Y173-H353 HydrophobicContact CE1-CB 3.52Å; A174-H353 PolarHBondContact N-O 3Å; A174-H353 VanDerWaalsContact N-O 3.08Å; H210-H353 AromaticContact CD2-CD2 3.89Å; H210-H353 AromaticContact CD2-CE1 3.35Å; H210-H353 PolarHBondContact CD2-CE1 2.59Å; H210-H353 AromaticContact CD2-CG 3.78Å; H210-H353 AromaticContact CD2-ND1 3.46Å; H210-H353 PolarHBondContact CD2-ND1 2.9Å; H210-H353 AromaticContact CD2-NE2 3.62Å; H210-H353 AromaticContact NE2-CE1 3.54Å; H210-H353 AromaticContact NE2-ND1 3.66Å; D290-H353 IonicContact OD2-CE1 2.65Å; D290-H353 PolarHBondContact OD2-CE1 3.08Å; D290-H353 IonicContact OD2-NE2 3.56Å; N299-H353 PolarHBondContact ND2-NE2 2.94Å; S302-H353 PolarHBondContact OG-ND1 3.13Å
354P82.9Confident71Confident64 Ų6490.5 Ų90.542%0.41645%0.451SS..PPolyproline II helixtrans-68.5142170.729.6-33.1000110Y173 Y209Y173-P354 WeakPolarHBondContact CD1-O 3.42Å; Y173-P354 VanDerWaalsContact CE1-O 3.24Å; Y173-P354 WeakPolarHBondContact CE1-O 3.45Å; Y209-P354 VanDerWaalsContact CD1-CA 3.44Å; Y209-P354 HydrophobicContact CD1-CB 3.72Å; Y209-P354 HydrophobicContact CD1-CG 4.42Å; Y209-P354 HydrophobicContact CD2-CB 4.46Å; Y209-P354 VanDerWaalsContact CE1-CA 3.43Å; Y209-P354 HydrophobicContact CE1-CB 3.91Å; Y209-P354 HydrophobicContact CG-CB 4.01Å
355K76.7Confident68.2Low80 Ų8094.6 Ų94.635%0.34847%0.471SS..PPolyproline II helixtrans-58.5130.4168.3-72.6-173.9177.6-161.70108.5Y173 A174 E176 K357Y173-K355 HydrophobicContact CD2-CG 4.34Å; Y173-K355 HydrophobicContact CG-CG 4.19Å; A174-K355 VanDerWaalsContact O-CE 3.26Å; A174-K355 WeakPolarHBondContact O-CE 3.41Å; E176-K355 HydrophobicContact CG-CD 4.15Å; E176-K355 IonicContact OE1-NZ 3.41Å; E176-K355 PolarHBondContact OE1-NZ 2.93Å; K355-K357 PolarHBondContact O-N 2.87Å
356P70.3Confident65.3Low78 Ų7899.5 Ų99.551%0.50650%0.504SS..PPolyproline II helixtrans-58.3139.3169.923.6-30.3000107.7Y173 E358Y173-P356 HydrophobicContact CE2-CG 3.84Å; Y173-P356 VanDerWaalsContact CZ-CD 3.42Å; P356-E358 PolarHBondContact O-N 2.92Å
357K58.5Low62.5Low204 Ų204105.5 Ų105.589%0.88753%0.531SS*.  trans-61114.3172.1-65.9-179.6-179.91800106.5K355 E359K355-K357 PolarHBondContact O-N 2.87Å; K357-E359 PolarHBondContact O-N 3.1Å
358E49.9Very low59.9Low179 Ų179112.3 Ų112.384%0.83657%0.568SS**  trans-56.9115.6167.9-69.4-177.4170.300106.7P356 P360P356-E358 PolarHBondContact O-N 2.92Å; E358-P360 WeakPolarHBondContact O-CD 3.26Å
359E38.4Very low57Low167 Ų167117.6 Ų117.678%0.7859%0.586SS**  trans-62.1121.7159.9-79.2179.117100105K357 L361K357-E359 PolarHBondContact O-N 3.1Å; E359-L361 PolarHBondContact O-N 3.25Å
360P34Very low54Low120 Ų120123.1 Ų123.178%0.77962%0.62SS**  trans-56.7117.4-179.321.4-30.4000107.5E358 H362E358-P360 WeakPolarHBondContact O-CD 3.26Å; P360-H362 PolarHBondContact O-N 3.42Å
361L40.6Very low51.4Low147 Ų147128.1 Ų128.177%0.7765%0.653SS**  trans-51.3110.8161.8-86.3135.6000105.6E359E359-L361 PolarHBondContact O-N 3.25Å
362H42Very low48.6Very low171 Ų171134 Ų13479%0.79269%0.688SS**  trans9.3123.5171.3-70.9-86.1000117P360 E364P360-H362 PolarHBondContact O-N 3.42Å; H362-E364 PolarHBondContact O-N 3.07Å
363R33.3Very low46.1Very low242 Ų242141.9 Ų141.991%0.91373%0.731SS**  trans-33110.3160.5-82.6176169.6160-3.7110.4V365R363-V365 PolarHBondContact O-N 3Å; R363-V365 VanDerWaalsContact O-N 3.09Å
364E32.6Very low43.8Very low188 Ų188146.4 Ų146.488%0.87976%0.76SS**  trans-57114.8158.7-68.7-178.2167.800106.5H362H362-E364 PolarHBondContact O-N 3.07Å
365V35.8Very low41.5Very low127 Ų127150.3 Ų150.377%0.7778%0.778SS**  trans-64.9125.8170.4-178.10000105.9R363 E367R363-V365 PolarHBondContact O-N 3Å; R363-V365 VanDerWaalsContact O-N 3.09Å; V365-E367 PolarHBondContact O-N 2.84Å
366P34Very low40Very low115 Ų115154.1 Ų154.175%0.74780%0.801SS**  trans-62.6123.2178.6-15.828000109.6N368P366-N368 VanDerWaalsContact C-N 3.35Å; P366-N368 PolarHBondContact O-N 2.93Å
367E38.8Very low38.4Very low187 Ų187157.3 Ų157.387%0.87481%0.813SS**  trans-63.293.6167.7-72.6-177152.900109.3V365V365-E367 PolarHBondContact O-N 2.84Å
368N40.4Very low37.3Very low144 Ų144156.1 Ų156.177%0.7781%0.81SS**  trans-169.788.3153.7-105.8-22.5000110.5P366P366-N368 VanDerWaalsContact C-N 3.35Å; P366-N368 PolarHBondContact O-N 2.93Å
369Q32.8Very low36.6Very low195 Ų195154.1 Ų154.191%0.91181%0.805SS**  trans-174.9144.4139.9-98.115280.800111.4
370T32Very low36.4Very low122 Ų122152.9 Ų152.975%0.74880%0.803SS**  trans-54161.6-170430000117.1
371P38.4Very low36.5Very low129 Ų129151.6 Ų151.684%0.83879%0.793SS**  trans-76.5129.4-173.232.5-32.5000110.9
372V33.6Very low36.6Very low123 Ų123151.4 Ų151.475%0.74579%0.793SS**  trans-126.7112.1164.6-172.80000107.5T374V372-T374 PolarHBondContact O-N 2.69Å
373D38.1Very low36.8Very low167 Ų167146.7 Ų146.789%0.89377%0.774SS**  trans-56.7111.9169.1-88.1-48.4000110.6
374T36Very low37.8Very low125 Ų125141.1 Ų141.177%0.76776%0.762SS**  trans-143109.8153.347.10000110.2V372V372-T374 PolarHBondContact O-N 2.69Å
375N36.2Very low39.8Very low147 Ų147136.1 Ų136.179%0.78674%0.742SS**  trans-14.4140.5162.4-66.9-53.9000119.3
376L43.8Very low41.8Very low160 Ų160130.8 Ų130.884%0.83871%0.708SS**  trans4289.4147.6-78.4100.6000117.6
377I36.9Very low44.2Very low145 Ų145129.3 Ų129.374%0.74470%0.697SS**  trans-142.797.6131.9-51.6179.7000106.4L379I377-L379 HydrophobicContact CG2-CG 3.94Å; I377-L379 PolarHBondContact O-N 3.3Å
378E36Very low46.6Very low179 Ų179123.5 Ų123.584%0.83667%0.669SS**  trans-60.697.3154.1-79.6176.5158.800105.8D380E378-D380 PolarHBondContact O-N 3.11Å
379L34.3Very low48.8Very low137 Ų137119.6 Ų119.672%0.71765%0.646SS**  trans-71.183.6165.3-86.1145.5000106.2I377 T381I377-L379 HydrophobicContact CG2-CG 3.94Å; I377-L379 PolarHBondContact O-N 3.3Å; L379-T381 HydrophobicContact CB-CG2 4.19Å; L379-T381 PolarHBondContact O-N 3.49Å
380D33.9Very low51.3Low140 Ų140115.6 Ų115.675%0.74963%0.631SS**  trans-56.583.1153.8-87.9-26.1000106.9E378 N382E378-D380 PolarHBondContact O-N 3.11Å; D380-N382 VanDerWaalsContact C-N 3.31Å; D380-N382 PolarHBondContact O-N 2.93Å
381T37.7Very low53.8Low94 Ų94110.5 Ų110.558%0.57760%0.599SS**  trans-71.787.6176.947.30000108.6L379 D383L379-T381 HydrophobicContact CB-CG2 4.19Å; L379-T381 PolarHBondContact O-N 3.49Å; T381-D383 VanDerWaalsContact C-N 3.29Å; T381-D383 PolarHBondContact O-N 2.68Å
382N41.8Very low55.8Low142 Ų142108 Ų10876%0.75959%0.589SS**  trans32.953.8159.8-68.5-13.9000115.3D380 D384D380-N382 VanDerWaalsContact C-N 3.31Å; D380-N382 PolarHBondContact O-N 2.93Å; N382-D384 VanDerWaalsContact C-N 3.31Å; N382-D384 PolarHBondContact O-N 3Å
383D47.3Very low57.9Low73 Ų73103.3 Ų103.339%0.3956%0.558SS.*THydrogen-bonded Turntrans-83.61.1-170.5-103.6-31.5000113.9R103 T381R103-D383 IonicContact CZ-OD1 3.57Å; R103-D383 IonicContact NE-OD1 3.04Å; R103-D383 IonicContact NH2-OD1 2.65Å; R103-D383 PolarHBondContact NH2-OD1 2.9Å; T381-D383 VanDerWaalsContact C-N 3.29Å; T381-D383 PolarHBondContact O-N 2.68Å
384D54.3Low59.8Low124 Ų124101.4 Ų101.466%0.66354%0.544SS*.THydrogen-bonded Turntrans-104.3-7.2-164.4-81.9-33.6000117.1K107 N382 I386K107-D384 PolarHBondContact NZ-O 3.15Å; K107-D384 VanDerWaalsContact NZ-O 3.07Å; N382-D384 VanDerWaalsContact C-N 3.31Å; N382-D384 PolarHBondContact O-N 3Å; D384-I386 PolarHBondContact O-N 2.76Å
385D73.1Confident61.6Low84 Ų84100.6 Ų100.645%0.44953%0.526SS..  trans-81.248.9-175.3-72.7-17.2000113.1G5 T6 V387G5-D385 CarbonylContact C-O 3.19Å; G5-D385 WeakPolarHBondContact CA-O 3.04Å; T6-D385 PolarHBondContact N-O 3.49Å; D385-V387 PolarHBondContact O-N 3.19Å
386I79.4Confident62.9Low14 Ų1495 Ų957%0.07250%0.497CS..  trans-74.8115.5161.6-66166.3000108.5T6 V8 R103 L104 K107 D384 F388T6-I386 WeakPolarHBondContact O-CA 3.01Å; V8-I386 HydrophobicContact CB-CG2 4.06Å; V8-I386 HydrophobicContact CG2-CG2 3.72Å; R103-I386 HydrophobicContact CB-CD1 3.95Å; L104-I386 HydrophobicContact CD2-CD1 4.27Å; L104-I386 HydrophobicContact CD2-CG2 4.4Å; K107-I386 HydrophobicContact CD-CB 3.85Å; K107-I386 HydrophobicContact CD-CD1 3.95Å; K107-I386 HydrophobicContact CD-CG1 4.43Å; K107-I386 HydrophobicContact CD-CG2 4.35Å; K107-I386 PolarHBondContact NZ-O 2.9Å; D384-I386 PolarHBondContact O-N 2.76Å; I386-F388 HydrophobicContact CG2-CD1 4.02Å; I386-F388 HydrophobicContact CG2-CE1 3.63Å; I386-F388 HydrophobicContact CG2-CZ 4Å
387V84.2Confident63.3Low85 Ų8597.6 Ų97.652%0.51550%0.501SS..EExtended strand (participates in β ladder)trans-100.8118174.4-177.40000108.8T6 R7 V8 D385T6-V387 PolarHBondContact O-N 2.68Å; T6-V387 VanDerWaalsContact O-N 3.15Å; R7-V387 WeakPolarHBondContact CA-O 3.39Å; V8-V387 PolarHBondContact N-O 2.86Å; D385-V387 PolarHBondContact O-N 3.19Å
388F87.5Confident63.8Low65 Ų6594.7 Ų94.729%0.28551%0.507SS..EExtended strand (participates in β ladder)trans-82.5125.8176.1-62.1-57.1000110.9V8 K10 Y21 L104 K107 L108 I386V8-F388 HydrophobicContact CB-CD1 4.06Å; V8-F388 HydrophobicContact CB-CE1 4.31Å; V8-F388 HydrophobicContact CG1-CD1 4.23Å; V8-F388 HydrophobicContact CG1-CE1 4.3Å; V8-F388 CarbonylContact O-C 3.6Å; V8-F388 WeakPolarHBondContact O-CA 3.48Å; K10-F388 HydrophobicContact CD-CB 4.13Å; K10-F388 HydrophobicContact CD-CG 4.47Å; Y21-F388 AromaticContact CD1-CD1 3.83Å; Y21-F388 HydrophobicContact CD1-CD1 3.83Å; Y21-F388 AromaticContact CD1-CE1 3.65Å; Y21-F388 HydrophobicContact CD1-CE1 3.65Å; Y21-F388 AromaticContact CE1-CD1 3.73Å; Y21-F388 HydrophobicContact CE1-CD1 3.73Å; Y21-F388 AromaticContact CE1-CE1 3.59Å; Y21-F388 HydrophobicContact CE1-CE1 3.59Å; Y21-F388 HydrophobicContact CE1-CG 4.37Å; Y21-F388 HydrophobicContact CE1-CZ 4.12Å; L104-F388 HydrophobicContact CD2-CE1 3.8Å; L104-F388 HydrophobicContact CD2-CZ 4.33Å; K107-F388 HydrophobicContact CD-CE2 4.29Å; K107-F388 HydrophobicContact CD-CZ 4.06Å; K107-F388 HydrophobicContact CG-CZ 4.42Å; L108-F388 HydrophobicContact CD2-CE2 4.44Å; L108-F388 HydrophobicContact CD2-CZ 3.88Å; I386-F388 HydrophobicContact CG2-CD1 4.02Å; I386-F388 HydrophobicContact CG2-CE1 3.63Å; I386-F388 HydrophobicContact CG2-CZ 4Å
389E87.7Confident64.4Low61 Ų6189.6 Ų89.629%0.28548%0.484SS..EExtended strand (participates in β ladder)trans-118.4151.1174.5-165.3-177.3143.900109.3V8 F9 K10 R25V8-E389 PolarHBondContact O-N 2.85Å; F9-E389 CarbonylContact C-O 3.56Å; F9-E389 VanDerWaalsContact CA-O 3.24Å; F9-E389 WeakPolarHBondContact CA-O 3.25Å; F9-E389 HydrophobicContact CD1-CB 3.98Å; F9-E389 HydrophobicContact CD1-CG 4.37Å; F9-E389 HydrophobicContact CE1-CB 4.16Å; F9-E389 HydrophobicContact CE1-CG 4.3Å; K10-E389 PolarHBondContact N-O 2.69Å; R25-E389 IonicContact NH2-OE1 3.71Å; R25-E389 PolarHBondContact NH2-OE1 2.78Å
390D85.8Confident64.9Low112 Ų11292.8 Ų92.860%0.59949%0.492SS*.EExtended strand (participates in β ladder)trans-64.2148171.9-78.3-34.4000110.6R25 A392R25-D390 PolarHBondContact NH2-O 3.42Å; D390-A392 PolarHBondContact O-N 3.37Å
391F84.6Confident65.1Low15 Ų1591.3 Ų91.37%0.06648%0.484CS..SBendtrans-70.8-17.3176.6-170.1-92.2000113.2F9 K10 K11 L22 R25 L166 V167 I168 R393F9-F391 HydrophobicContact CB-CB 4.32Å; F9-F391 HydrophobicContact CB-CD2 3.73Å; F9-F391 HydrophobicContact CB-CG 4.48Å; F9-F391 HydrophobicContact CG-CD2 4.47Å; K10-F391 PolarHBondContact O-N 3.19Å; K11-F391 HydrophobicContact CB-CB 4.14Å; L22-F391 HydrophobicContact CD1-CD2 4.42Å; L22-F391 HydrophobicContact CD1-CE2 3.83Å; R25-F391 HydrophobicContact CB-CE2 4.17Å; R25-F391 HydrophobicContact CB-CZ 4.26Å; R25-F391 HydrophobicContact CG-CD2 4.06Å; R25-F391 HydrophobicContact CG-CE2 3.68Å; R25-F391 HydrophobicContact CG-CZ 4.11Å; R25-F391 PolarHBondContact NE-O 2.85Å; L166-F391 HydrophobicContact CB-CD1 3.99Å; L166-F391 HydrophobicContact CB-CD2 4.48Å; L166-F391 HydrophobicContact CB-CE1 3.73Å; L166-F391 HydrophobicContact CB-CE2 4.22Å; L166-F391 HydrophobicContact CB-CG 4.38Å; L166-F391 HydrophobicContact CB-CZ 3.85Å; L166-F391 HydrophobicContact CD2-CB 4.02Å; L166-F391 HydrophobicContact CD2-CD1 4.05Å; L166-F391 HydrophobicContact CD2-CD2 3.56Å; L166-F391 HydrophobicContact CD2-CE1 4.45Å; L166-F391 HydrophobicContact CD2-CE2 3.99Å; L166-F391 HydrophobicContact CD2-CG 3.61Å; L166-F391 HydrophobicContact CD2-CZ 4.43Å; L166-F391 HydrophobicContact CG-CD1 4.31Å; L166-F391 HydrophobicContact CG-CG 4.35Å; V167-F391 WeakPolarHBondContact O-CE1 3.44Å; V167-F391 WeakPolarHBondContact O-CZ 3.35Å; I168-F391 HydrophobicContact CG2-CE2 4.33Å; I168-F391 HydrophobicContact CG2-CZ 3.93Å; F391-R393 PolarHBondContact O-N 3.43Å
392A79.8Confident65.4Low77 Ų7793 Ų9364%0.63649%0.49SS*.PPolyproline II helixtrans-59127.9179.600000111.1R25 D390R25-A392 PolarHBondContact NH2-O 2.88Å; R25-A392 VanDerWaalsContact NH2-O 3.12Å; D390-A392 PolarHBondContact O-N 3.37Å
393R78.3Confident65.2Low24 Ų2494 Ų949%0.09149%0.487CS..PPolyproline II helixtrans-73.9146.1176.8-67.2-177.7-170.2-98.92.5110.1R25 D26 R169 H295 D297 F391 R395R25-R393 PolarHBondContact O-NH2 2.8Å; D26-R393 IonicContact OD1-CZ 3.82Å; D26-R393 VanDerWaalsContact OD1-CZ 3.31Å; D26-R393 IonicContact OD1-NH1 3.41Å; D26-R393 PolarHBondContact OD1-NH1 2.95Å; D26-R393 IonicContact OD1-NH2 3.05Å; D26-R393 PolarHBondContact OD1-NH2 3Å; D26-R393 IonicContact OD2-NH1 2.71Å; R169-R393 VanDerWaalsContact CZ-NH1 3.32Å; H295-R393 HydrophobicContact CB-CB 4.23Å; H295-R393 WeakPolarHBondContact ND1-CD 3.37Å; D297-R393 IonicContact OD2-CZ 2.83Å; D297-R393 IonicContact OD2-NH1 3.81Å; D297-R393 PolarHBondContact OD2-NH1 2.95Å; F391-R393 PolarHBondContact O-N 3.43Å; R393-R395 PolarHBondContact O-N 3.02Å
394Q77.1Confident65.1Low127 Ų12793.9 Ų93.959%0.59348%0.484SS*.PPolyproline II helixtrans-62.4129.2176.5-71.3-177.5-1000109.8E296E296-Q394 PolarHBondContact N-O 3.39Å
395R73.5Confident64.3Low107 Ų10792 Ų9240%0.40447%0.472SS..BIsolated β-bridgetrans-87142.2-179.1-70.9172.2160.9-138.5-6.9110K294 R393 D401 E405K294-R395 WeakPolarHBondContact O-CA 3.41Å; R393-R395 PolarHBondContact O-N 3.02Å; R395-D401 IonicContact CZ-OD1 3.57Å; R395-D401 IonicContact NH1-OD1 3.59Å; R395-D401 PolarHBondContact NH1-OD1 2.77Å; R395-D401 IonicContact NH2-OD1 3.62Å; R395-E405 IonicContact CZ-OE1 2.8Å; R395-E405 IonicContact CZ-OE2 3.72Å; R395-E405 IonicContact NE-OE1 3.72Å; R395-E405 IonicContact NE-OE2 3.64Å; R395-E405 IonicContact NH2-OE1 2.68Å; R395-E405 PolarHBondContact NH2-OE1 3.02Å; R395-E405 IonicContact NH2-OE2 2.88Å; R395-E405 PolarHBondContact NH2-OE2 3.14Å
396L64.8Low62.5Low31 Ų3194.9 Ų94.916%0.16248%0.482CS..PPolyproline II helixtrans-67.4136.7170.3-76.3160000110.7L293 K294 E296 G398 M399L293-L396 WeakPolarHBondContact O-CD1 3.49Å; K294-L396 PolarHBondContact O-N 3.02Å; E296-L396 HydrophobicContact CB-CD2 4.14Å; E296-L396 HydrophobicContact CB-CG 4.2Å; E296-L396 HydrophobicContact CG-CD2 4.1Å; L396-G398 PolarHBondContact O-N 3.01Å; L396-M399 HydrophobicContact CB-CG 4.45Å; L396-M399 HydrophobicContact CB-SD 3.85Å; L396-M399 HydrophobicContact CD1-SD 3.93Å
397K52.3Low60.5Low213 Ų213101.1 Ų101.193%0.92651%0.512SS*.THydrogen-bonded Turntrans-62.5124.5175.2-68.5179.1-179.7175.60110.1
398G47.1Very low58.4Low85 Ų85102.9 Ų102.988%0.87652%0.518SS*.THydrogen-bonded Turntrans98.66.8168.500000117.3L396L396-G398 PolarHBondContact O-N 3.01Å
399M47.5Very low55.7Low72 Ų72102.5 Ų102.536%0.35553%0.532SS..PPolyproline II helixtrans-89.5130.1173.3-62.6178.590.100110.4L293 L396L293-M399 HydrophobicContact CB-CE 3.99Å; L293-M399 HydrophobicContact CD2-CE 3.46Å; L293-M399 VanDerWaalsContact CD2-CE 3.46Å; L293-M399 HydrophobicContact CG-CE 3.45Å; L293-M399 VanDerWaalsContact CG-CE 3.45Å; L293-M399 WeakPolarHBondContact O-CE 3.46Å; L396-M399 HydrophobicContact CB-CG 4.45Å; L396-M399 HydrophobicContact CB-SD 3.85Å; L396-M399 HydrophobicContact CD1-SD 3.93Å
400K44.2Very low53.1Low204 Ų204106 Ų10689%0.88756%0.558SS**PPolyproline II helixtrans-67.6146.1177.6-84.7-179175176.60110.7D402K400-D402 PolarHBondContact O-N 3.42Å
401D39.4Very low50.4Low108 Ų108103.9 Ų103.958%0.57856%0.562SS**PPolyproline II helixtrans-63118.1176.6-64.9-56.5000110.7R395R395-D401 IonicContact CZ-OD1 3.57Å; R395-D401 IonicContact NH1-OD1 3.59Å; R395-D401 PolarHBondContact NH1-OD1 2.77Å; R395-D401 IonicContact NH2-OD1 3.62Å
402D43.3Very low47.8Very low131 Ų131108.6 Ų108.670%0.70160%0.597SS**PPolyproline II helixtrans-72.8138.1150.4-69.4-36000106.9K400 E404K400-D402 PolarHBondContact O-N 3.42Å; D402-E404 PolarHBondContact O-N 2.65Å
403K38.5Very low45.6Very low161 Ų161110.6 Ų110.670%0.760%0.604SS**THydrogen-bonded Turntrans-52.14.2-176.6-71.5-179.4172-175.40116.7E405K403-E405 VanDerWaalsContact C-N 3.27Å; K403-E405 PolarHBondContact O-N 2.7Å
404E45Very low43.3Very low71 Ų71117.8 Ų117.833%0.33264%0.638SS.*THydrogen-bonded Turntrans-65.5-21.5179.7-69.4-162.6143.600114.2K138 K292 D402K138-E404 WeakPolarHBondContact CE-OE1 3.25Å; K138-E404 IonicContact NZ-OE1 2.73Å; K292-E404 IonicContact NZ-OE1 3.31Å; K292-E404 IonicContact NZ-OE2 2.89Å; K292-E404 PolarHBondContact NZ-OE2 3.07Å; D402-E404 PolarHBondContact O-N 2.65Å
405E37.8Very low41.3Very low86 Ų86119.5 Ų119.540%0.40265%0.651SS.*THydrogen-bonded Turntrans-109.1-8.7179.7-81.1177.2-126.700114.9K294 R395 K403 E407 D408 G409K294-E405 IonicContact NZ-OE1 2.62Å; K294-E405 PolarHBondContact NZ-OE1 2.76Å; R395-E405 IonicContact CZ-OE1 2.8Å; R395-E405 IonicContact CZ-OE2 3.72Å; R395-E405 IonicContact NE-OE1 3.72Å; R395-E405 IonicContact NE-OE2 3.64Å; R395-E405 IonicContact NH2-OE1 2.68Å; R395-E405 PolarHBondContact NH2-OE1 3.02Å; R395-E405 IonicContact NH2-OE2 2.88Å; R395-E405 PolarHBondContact NH2-OE2 3.14Å; K403-E405 VanDerWaalsContact C-N 3.27Å; K403-E405 PolarHBondContact O-N 2.7Å; E405-E407 VanDerWaalsContact C-N 3.26Å; E405-E407 PolarHBondContact O-N 3.17Å; E405-D408 PolarHBondContact O-N 3.41Å; E405-G409 PolarHBondContact O-N 3.34Å
406E33.8Very low39.3Very low143 Ų143121.4 Ų121.467%0.66867%0.669SS**THydrogen-bonded Turntrans-69.9-22.5172.2-76.8-168.3156.900112.5
407E39.3Very low37.9Very low146 Ų146127.3 Ų127.368%0.68270%0.701SS**THydrogen-bonded Turntrans-78.8-22.5171.8-80-156166.700113.9K160 E405K160-E407 IonicContact NZ-OE2 2.81Å; K160-E407 PolarHBondContact NZ-OE2 3.32Å; E405-E407 VanDerWaalsContact C-N 3.26Å; E405-E407 PolarHBondContact O-N 3.17Å
408D38.6Very low37Very low122 Ų122132.3 Ų132.365%0.65271%0.714SS**THydrogen-bonded Turntrans-91.7-4.9-180-94.7-5.1000112.5E405E405-D408 PolarHBondContact O-N 3.41Å
409G31.9Very low36.5Very low56 Ų56134.7 Ų134.758%0.57771%0.706SS**  trans-12063.7-177.100000114E405E405-G409 PolarHBondContact O-N 3.34Å
410T32.3Very low35.9Very low134 Ų134137.9 Ų137.982%0.82272%0.724SS**  trans-95.296.7165.240.50000111.4
411G29.6Very low35.5Very low68 Ų68134.3 Ų134.370%0.70172%0.715SS**  trans5296.9143.500000118.5
412S30.4Very low35.2Very low114 Ų114135.8 Ų135.880%0.79772%0.723SS**  trans-58.8126.9150.1-40.70000108.7Q414S412-Q414 PolarHBondContact O-N 2.95Å; S412-Q414 VanDerWaalsContact O-N 3.11Å
413P33.3Very low34.7Very low120 Ų120136.1 Ų136.178%0.77973%0.725SS**  trans-68.5113.8170.423.5-24.8000108L415P413-L415 PolarHBondContact O-N 2.9Å; P413-L415 VanDerWaalsContact O-N 3.08Å
414Q30.4Very low34.5Very low174 Ų174134.5 Ų134.581%0.81373%0.726SS**  trans-61.8109.9161.4-76.6-175.5-13.200107.3S412 N416S412-Q414 PolarHBondContact O-N 2.95Å; S412-Q414 VanDerWaalsContact O-N 3.11Å; Q414-N416 VanDerWaalsContact C-N 3.32Å; Q414-N416 PolarHBondContact O-N 3.43Å
415L33.2Very low33.7Very low163 Ų163139 Ų13985%0.85376%0.755SS**  trans-62.597.3160.5-88.1149.4000107.3P413 N417P413-L415 PolarHBondContact O-N 2.9Å; P413-L415 VanDerWaalsContact O-N 3.08Å; L415-N417 PolarHBondContact O-N 2.75Å
416N33.1Very low33.4Very low147 Ų147143.1 Ų143.179%0.78678%0.782SS**  trans-67.699.6163.6-90.6-8.2000108.1Q414 R418Q414-N416 VanDerWaalsContact C-N 3.32Å; Q414-N416 PolarHBondContact O-N 3.43Å; N416-R418 PolarHBondContact O-N 3.4Å
417N35.6Very low33.4Very low156 Ų156143.1 Ų143.183%0.83479%0.791SS**  trans-75.697.3156.4-92.3-13.7000108.5L415L415-N417 PolarHBondContact O-N 2.75Å
418R33Very low32.8Very low317 Ų317142.8 Ų142.8100%1.19680%0.801SS**  trans-174.80130.4-113.2-178.8176.4177.9-0.5111.9N416N416-R418 PolarHBondContact O-N 3.4Å

Retrieved 418 of 418 residues in 92.8 ms (Link to these results)

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