A0A087XKC6_POEFO Loading...

Sema domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XKC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 708 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
1M58.1Low86.5Confident100 Ų10065.6 Ų65.649%0.49338%0.383SS..  0171.80-66.2174.2-161.600110Y7 M57 L81M1-Y7 HydrophobicContact CE-CD1 3.75Å; M1-Y7 HydrophobicContact CE-CD2 3.87Å; M1-Y7 HydrophobicContact CE-CG 3.34Å; M1-Y7 VanDerWaalsContact SD-CB 3.52Å; M1-Y7 HydrophobicContact SD-CG 4.34Å; M1-M57 HydrophobicContact CE-CE 3.34Å; M1-M57 HydrophobicContact CE-SD 3.6Å; M1-M57 VanDerWaalsContact CE-SD 3.6Å; M1-M57 HydrophobicContact CG-CE 4.47Å; M1-M57 HydrophobicContact SD-CE 3.8Å; M1-M57 HydrophobicContact SD-SD 4.28Å; M1-L81 HydrophobicContact CE-CD1 3.19Å
2N68Low87.3Confident93 Ų9373 Ų7350%0.49740%0.402SS..  trans-130.5170.7173.3605.7000110.2T4 H5N2-T4 VanDerWaalsContact CG-OG1 3.28Å; N2-T4 PolarHBondContact ND2-OG1 2.91Å; N2-T4 PolarHBondContact O-N 3.05Å; N2-T4 VanDerWaalsContact O-N 3.08Å; N2-T4 PolarHBondContact OD1-OG1 3.4Å; N2-T4 VanDerWaalsContact OD1-OG1 3.07Å; N2-H5 PolarHBondContact O-N 2.99Å; N2-H5 PolarHBondContact OD1-ND1 3.13Å
3S77.5Confident87.9Confident117 Ų11774.4 Ų74.482%0.81843%0.429SS*.THydrogen-bonded Turntrans-67.7-2.7-179.449.60000115.2T23S3-T23 PolarHBondContact O-OG1 2.88Å
4T87.6Confident88.4Confident64 Ų6475.9 Ų75.939%0.39343%0.428SS..THydrogen-bonded Turntrans-98.7-2.6-178.659.70000114.1N2 R22 T23N2-T4 VanDerWaalsContact CG-OG1 3.28Å; N2-T4 PolarHBondContact ND2-OG1 2.91Å; N2-T4 PolarHBondContact O-N 3.05Å; N2-T4 VanDerWaalsContact O-N 3.08Å; N2-T4 PolarHBondContact OD1-OG1 3.4Å; N2-T4 VanDerWaalsContact OD1-OG1 3.07Å; T4-R22 WeakPolarHBondContact O-CA 3.5Å; T4-T23 VanDerWaalsContact C-OG1 3.31Å; T4-T23 WeakPolarHBondContact CA-OG1 3.43Å; T4-T23 PolarHBondContact O-N 3.34Å; T4-T23 PolarHBondContact O-OG1 2.84Å
5H90.7Very high88.9Confident45 Ų4575.8 Ų75.821%0.20843%0.434CS..EExtended strand (participates in β ladder)trans-138.3135.6177.5-56.786.4000112.2N2 I21 R22 V29N2-H5 PolarHBondContact O-N 2.99Å; N2-H5 PolarHBondContact OD1-ND1 3.13Å; H5-I21 CarbonylContact C-O 3.52Å; H5-I21 VanDerWaalsContact CA-O 3.23Å; H5-I21 WeakPolarHBondContact CA-O 3.27Å; H5-R22 PolarHBondContact NE2-NH1 3.32Å; H5-V29 VanDerWaalsContact CD2-CG2 3.5Å; H5-V29 WeakPolarHBondContact CD2-CG2 3.32Å
6L92.9Very high89.4Confident82 Ų8271.4 Ų71.443%0.42941%0.409SS..EExtended strand (participates in β ladder)trans-85.5148160.3-53.8179.5000108.9Y20 I21 T23 F26L6-Y20 WeakPolarHBondContact O-CA 3.48Å; L6-I21 HydrophobicContact CB-CB 4.44Å; L6-I21 PolarHBondContact N-O 3.34Å; L6-I21 PolarHBondContact O-N 3.22Å; L6-T23 HydrophobicContact CD2-CG2 3.9Å; L6-T23 HydrophobicContact CG-CG2 3.78Å; L6-F26 HydrophobicContact CD1-CE2 4.39Å
7Y93.4Very high89.8Confident34 Ų3470.7 Ų70.713%0.13340%0.402CS..EExtended strand (participates in β ladder)trans-112131.3167.2169.3-93.9000108.2M1 C9 C18 Y20 R44 L62 L81M1-Y7 HydrophobicContact CE-CD1 3.75Å; M1-Y7 HydrophobicContact CE-CD2 3.87Å; M1-Y7 HydrophobicContact CE-CG 3.34Å; M1-Y7 VanDerWaalsContact SD-CB 3.52Å; M1-Y7 HydrophobicContact SD-CG 4.34Å; Y7-C9 WeakPolarHBondContact CE1-SG 3.35Å; Y7-C9 PolarHBondContact OH-SG 3.07Å; Y7-C18 HydrophobicContact CE2-CB 3.79Å; Y7-C18 PolarHBondContact OH-SG 3.02Å; Y7-Y20 HydrophobicContact CD2-CD1 4.02Å; Y7-Y20 AromaticContact CD2-CE1 3.52Å; Y7-Y20 HydrophobicContact CD2-CE1 3.52Å; Y7-Y20 HydrophobicContact CD2-CE2 4.42Å; Y7-Y20 AromaticContact CD2-CZ 3.74Å; Y7-Y20 HydrophobicContact CE2-CE1 4.35Å; Y7-Y20 HydrophobicContact CG-CE1 4.34Å; Y7-R44 WeakPolarHBondContact OH-CD 3.41Å; Y7-R44 PolarHBondContact OH-NH1 3.39Å; Y7-L62 HydrophobicContact CE1-CD1 4.28Å; Y7-L62 HydrophobicContact CE1-CD2 3.72Å; Y7-L81 HydrophobicContact CD1-CD1 4.32Å; Y7-L81 HydrophobicContact CD2-CD1 4.13Å; Y7-L81 HydrophobicContact CE1-CD1 4.05Å; Y7-L81 HydrophobicContact CE2-CD1 3.81Å; Y7-L81 HydrophobicContact CE2-CD2 4.1Å; Y7-L81 HydrophobicContact CG-CD1 4.34Å
8I95.1Very high90.1Very high66 Ų6666.9 Ų66.934%0.33838%0.381SS..EExtended strand (participates in β ladder)trans-128.3149.6-176.454.3158.5000109.9C18 A19 I21 F28I8-C18 CarbonylContact O-C 3.58Å; I8-C18 WeakPolarHBondContact O-CA 3.2Å; I8-C18 VanDerWaalsContact O-CB 3.29Å; I8-C18 WeakPolarHBondContact O-CB 3.32Å; I8-A19 HydrophobicContact CG1-CB 4.36Å; I8-A19 WeakPolarHBondContact CG1-O 3.24Å; I8-A19 PolarHBondContact N-O 3.39Å; I8-A19 PolarHBondContact O-N 3.06Å; I8-I21 HydrophobicContact CD1-CD1 3.57Å; I8-I21 HydrophobicContact CD1-CG1 4.02Å; I8-I21 HydrophobicContact CG1-CD1 4.26Å; I8-I21 HydrophobicContact CG1-CG1 4.37Å; I8-I21 HydrophobicContact CG2-CD1 4.5Å; I8-F28 HydrophobicContact CD1-CE1 3.9Å; I8-F28 HydrophobicContact CD1-CZ 4.25Å
9C95.6Very high90.3Very high46 Ų4663.8 Ų63.831%0.31136%0.364SS..EExtended strand (participates in β ladder)trans-134.9142.9171.3-630000109.1Y7 M17 C18 C45Y7-C9 WeakPolarHBondContact CE1-SG 3.35Å; Y7-C9 PolarHBondContact OH-SG 3.07Å; C9-M17 CarbonylContact C-O 3.39Å; C9-M17 WeakPolarHBondContact CA-O 3.38Å; C9-C18 HydrophobicContact CB-CB 4.07Å; C9-C18 WeakPolarHBondContact CB-SG 3.32Å; C9-C18 WeakPolarHBondContact SG-CB 3.46Å; C9-C18 CovalentContact SG-SG 2.04Å; C9-C18 PolarHBondContact SG-SG 3.06Å; C9-C45 HydrophobicContact CB-CB 3.66Å
10G96.3Very high90.5Very high32 Ų3263 Ų6333%0.3336%0.355SS..EExtended strand (participates in β ladder)trans-140.5154.1179.700000112.3Y12 P16 M17 C45G10-Y12 PolarHBondContact O-N 2.96Å; G10-P16 WeakPolarHBondContact O-CA 3.03Å; G10-M17 PolarHBondContact N-O 3.13Å; G10-M17 PolarHBondContact O-N 3.39Å; G10-M17 VanDerWaalsContact O-N 3.12Å; G10-C45 PolarHBondContact O-SG 3.45Å
11T96.3Very high90.7Very high43 Ų4360.6 Ų60.626%0.26434%0.342SS..  trans-57.9-28.3177.954.80000113.1A13 F14 S15 P46 F47 P49T11-A13 PolarHBondContact O-N 2.97Å; T11-F14 CarbonylContact O-C 3.57Å; T11-F14 WeakPolarHBondContact O-CA 3.32Å; T11-F14 PolarHBondContact O-N 3.06Å; T11-S15 CarbonylContact O-C 3.54Å; T11-S15 PolarHBondContact O-N 3.18Å; T11-P46 WeakPolarHBondContact CG2-O 3.46Å; T11-F47 WeakPolarHBondContact CB-O 3.36Å; T11-P49 HydrophobicContact CG2-CB 4.36Å
12Y95.9Very high92.4Very high154 Ų15460.1 Ų60.160%0.60433%0.334SS*.THydrogen-bonded Turntrans39.166.4177.5-170.5-93.9000112.5G10 F14 S15 M17G10-Y12 PolarHBondContact O-N 2.96Å; Y12-F14 VanDerWaalsContact C-N 3.31Å; Y12-F14 PolarHBondContact O-N 3.43Å; Y12-S15 PolarHBondContact O-N 2.83Å; Y12-M17 HydrophobicContact CD1-CE 3.39Å; Y12-M17 HydrophobicContact CD2-CE 3.97Å; Y12-M17 HydrophobicContact CE1-CE 3.28Å; Y12-M17 HydrophobicContact CE2-CE 3.86Å; Y12-M17 HydrophobicContact CG-CE 3.76Å
13A95.3Very high93.6Very high91 Ų9158.8 Ų58.875%0.75233%0.33SS*.THydrogen-bonded Turntrans50.546.3-178.200000113.9T11 S15T11-A13 PolarHBondContact O-N 2.97Å; A13-S15 VanDerWaalsContact C-N 3.31Å; A13-S15 PolarHBondContact O-N 3.08Å
14F94.9Very high94.3Very high95 Ų9557.6 Ų57.642%0.41733%0.327SS..THydrogen-bonded Turntrans63.827.7-176.1-45.3-95.4000114.9T11 Y12 F47 N48 F70T11-F14 CarbonylContact O-C 3.57Å; T11-F14 WeakPolarHBondContact O-CA 3.32Å; T11-F14 PolarHBondContact O-N 3.06Å; Y12-F14 VanDerWaalsContact C-N 3.31Å; Y12-F14 PolarHBondContact O-N 3.43Å; F14-F47 WeakPolarHBondContact CA-O 3.28Å; F14-F47 VanDerWaalsContact CD1-O 3.3Å; F14-F47 WeakPolarHBondContact CD1-O 3.02Å; F14-F47 VanDerWaalsContact O-CD1 3.28Å; F14-F47 WeakPolarHBondContact O-CD1 3.47Å; F14-N48 HydrophobicContact CD1-CB 4.09Å; F14-N48 HydrophobicContact CE1-CB 3.76Å; F14-F70 HydrophobicContact CB-CD2 3.77Å; F14-F70 HydrophobicContact CB-CE2 3.55Å; F14-F70 HydrophobicContact CD1-CD2 4.45Å; F14-F70 AromaticContact CD1-CE2 3.92Å; F14-F70 HydrophobicContact CD1-CE2 3.92Å; F14-F70 HydrophobicContact CG-CD2 4.39Å; F14-F70 AromaticContact CG-CE2 3.8Å; F14-F70 HydrophobicContact CG-CE2 3.8Å
15S95.6Very high94.6Very high75 Ų7559 Ų5952%0.52433%0.332SS..SBendtrans-131.275.3170.9-168.10000110T11 Y12 A13 M17T11-S15 CarbonylContact O-C 3.54Å; T11-S15 PolarHBondContact O-N 3.18Å; Y12-S15 PolarHBondContact O-N 2.83Å; A13-S15 VanDerWaalsContact C-N 3.31Å; A13-S15 PolarHBondContact O-N 3.08Å; S15-M17 PolarHBondContact O-N 3.28Å
16P96.4Very high94.8Very high5 Ų564 Ų643%0.03235%0.353CS..  trans-43.1123.8-171.9-37.140.6000115.7G10 G41 F47G10-P16 WeakPolarHBondContact O-CA 3.03Å; P16-G41 VanDerWaalsContact CB-C 3.49Å; P16-G41 WeakPolarHBondContact O-CA 3.48Å; P16-G41 PolarHBondContact O-N 3.5Å; P16-F47 VanDerWaalsContact CD-CD1 3.43Å; P16-F47 VanDerWaalsContact CD-CE1 3.48Å; P16-F47 HydrophobicContact CG-CB 4.35Å; P16-F47 HydrophobicContact CG-CD1 3.91Å; P16-F47 HydrophobicContact CG-CD2 3.68Å; P16-F47 HydrophobicContact CG-CE1 4.05Å; P16-F47 HydrophobicContact CG-CE2 3.82Å; P16-F47 HydrophobicContact CG-CG 3.71Å; P16-F47 HydrophobicContact CG-CZ 4Å
17M96.1Very high94.8Very high60 Ų6062.2 Ų62.230%0.29635%0.348SS..EExtended strand (participates in β ladder)trans-134.5148.8174.4-83.2-157.1-73.600111.9C9 G10 Y12 S15 T38 E39C9-M17 CarbonylContact C-O 3.39Å; C9-M17 WeakPolarHBondContact CA-O 3.38Å; G10-M17 PolarHBondContact N-O 3.13Å; G10-M17 PolarHBondContact O-N 3.39Å; G10-M17 VanDerWaalsContact O-N 3.12Å; Y12-M17 HydrophobicContact CD1-CE 3.39Å; Y12-M17 HydrophobicContact CD2-CE 3.97Å; Y12-M17 HydrophobicContact CE1-CE 3.28Å; Y12-M17 HydrophobicContact CE2-CE 3.86Å; Y12-M17 HydrophobicContact CG-CE 3.76Å; S15-M17 PolarHBondContact O-N 3.28Å; M17-T38 HydrophobicContact SD-CG2 4.35Å; M17-E39 WeakPolarHBondContact CA-O 3.2Å
18C95.6Very high94.9Very high2 Ų265.1 Ų65.11%0.01436%0.361CS..EExtended strand (participates in β ladder)trans-118.2156.4173-54.40000111.3Y7 I8 C9 T38 E39 G41Y7-C18 HydrophobicContact CE2-CB 3.79Å; Y7-C18 PolarHBondContact OH-SG 3.02Å; I8-C18 CarbonylContact O-C 3.58Å; I8-C18 WeakPolarHBondContact O-CA 3.2Å; I8-C18 VanDerWaalsContact O-CB 3.29Å; I8-C18 WeakPolarHBondContact O-CB 3.32Å; C9-C18 HydrophobicContact CB-CB 4.07Å; C9-C18 WeakPolarHBondContact CB-SG 3.32Å; C9-C18 WeakPolarHBondContact SG-CB 3.46Å; C9-C18 CovalentContact SG-SG 2.04Å; C9-C18 PolarHBondContact SG-SG 3.06Å; C18-T38 CarbonylContact O-C 3.53Å; C18-T38 VanDerWaalsContact O-CA 3.29Å; C18-T38 WeakPolarHBondContact O-CA 3.5Å; C18-E39 HydrophobicContact CB-CB 4.48Å; C18-E39 PolarHBondContact N-O 2.94Å; C18-E39 PolarHBondContact O-N 3.41Å; C18-G41 WeakPolarHBondContact SG-CA 3.49Å
19A94.8Very high94.8Very high8 Ų863.2 Ų63.27%0.06635%0.353CS..EExtended strand (participates in β ladder)trans-155.8171.2-179.300000111.1I8 F28I8-A19 HydrophobicContact CG1-CB 4.36Å; I8-A19 WeakPolarHBondContact CG1-O 3.24Å; I8-A19 PolarHBondContact N-O 3.39Å; I8-A19 PolarHBondContact O-N 3.06Å; A19-F28 HydrophobicContact CB-CD1 3.96Å; A19-F28 HydrophobicContact CB-CE1 3.84Å
20Y93.6Very high94.7Very high47 Ų4767.3 Ų67.318%0.18437%0.365CS..EExtended strand (participates in β ladder)trans-112.8134.9177.4-58.4-90.5000110.8L6 Y7 F28 V29 V37 E39L6-Y20 WeakPolarHBondContact O-CA 3.48Å; Y7-Y20 HydrophobicContact CD2-CD1 4.02Å; Y7-Y20 AromaticContact CD2-CE1 3.52Å; Y7-Y20 HydrophobicContact CD2-CE1 3.52Å; Y7-Y20 HydrophobicContact CD2-CE2 4.42Å; Y7-Y20 AromaticContact CD2-CZ 3.74Å; Y7-Y20 HydrophobicContact CE2-CE1 4.35Å; Y7-Y20 HydrophobicContact CG-CE1 4.34Å; Y20-F28 WeakPolarHBondContact O-CA 3.48Å; Y20-V29 PolarHBondContact O-N 2.03Å; Y20-V37 HydrophobicContact CD2-CG1 4.35Å; Y20-E39 VanDerWaalsContact CE2-OE1 3.25Å; Y20-E39 WeakPolarHBondContact CE2-OE1 3.49Å; Y20-E39 PolarHBondContact OH-OE1 3.46Å
21I94.8Very high94.4Very high14 Ų1468.1 Ų68.17%0.07237%0.366CS..EExtended strand (participates in β ladder)trans-113.1130.2172.6-67.6177.6000108.5H5 L6 I8 F26 S27 F28H5-I21 CarbonylContact C-O 3.52Å; H5-I21 VanDerWaalsContact CA-O 3.23Å; H5-I21 WeakPolarHBondContact CA-O 3.27Å; L6-I21 HydrophobicContact CB-CB 4.44Å; L6-I21 PolarHBondContact N-O 3.34Å; L6-I21 PolarHBondContact O-N 3.22Å; I8-I21 HydrophobicContact CD1-CD1 3.57Å; I8-I21 HydrophobicContact CD1-CG1 4.02Å; I8-I21 HydrophobicContact CG1-CD1 4.26Å; I8-I21 HydrophobicContact CG1-CG1 4.37Å; I8-I21 HydrophobicContact CG2-CD1 4.5Å; I21-F26 HydrophobicContact CG2-CD2 4.07Å; I21-F26 HydrophobicContact CG2-CE2 4.36Å; I21-F26 HydrophobicContact CG2-CG 4.28Å; I21-S27 CarbonylContact C-O 3.58Å; I21-S27 VanDerWaalsContact CA-O 3.3Å; I21-S27 WeakPolarHBondContact CA-O 3.25Å; I21-F28 HydrophobicContact CG1-CD1 4.24Å; I21-F28 HydrophobicContact CG1-CE1 4.3Å
22R93.7Very high94.1Very high90 Ų9074.7 Ų74.734%0.3440%0.399SS..EExtended strand (participates in β ladder)trans-75.9128.7173.7-173.4-167.2-47.5-68.52.3109.8T4 H5 A24 D25 F26 S27T4-R22 WeakPolarHBondContact O-CA 3.5Å; H5-R22 PolarHBondContact NE2-NH1 3.32Å; R22-A24 VanDerWaalsContact C-N 3.29Å; R22-A24 HydrophobicContact CG-CB 4.36Å; R22-A24 PolarHBondContact O-N 3.45Å; R22-D25 WeakPolarHBondContact CB-OD1 3Å; R22-D25 WeakPolarHBondContact CD-OD2 3.27Å; R22-D25 IonicContact NE-OD2 2.71Å; R22-D25 PolarHBondContact NE-OD2 2.97Å; R22-F26 VanDerWaalsContact O-CA 3.24Å; R22-F26 WeakPolarHBondContact O-CA 3.22Å; R22-F26 PolarHBondContact O-N 2.82Å; R22-S27 PolarHBondContact N-O 3.03Å
23T93.1Very high93.7Very high65 Ų6571.3 Ų71.340%0.39940%0.403SS..THydrogen-bonded Turntrans-70.7-22.6-17652.10000114.1S3 T4 L6S3-T23 PolarHBondContact O-OG1 2.88Å; T4-T23 VanDerWaalsContact C-OG1 3.31Å; T4-T23 WeakPolarHBondContact CA-OG1 3.43Å; T4-T23 PolarHBondContact O-N 3.34Å; T4-T23 PolarHBondContact O-OG1 2.84Å; L6-T23 HydrophobicContact CD2-CG2 3.9Å; L6-T23 HydrophobicContact CG-CG2 3.78Å
24A92.5Very high93.5Very high91 Ų9169 Ų6975%0.75239%0.388SS*.THydrogen-bonded Turntrans-76.8-30.2-174.600000114.7R22R22-A24 VanDerWaalsContact C-N 3.29Å; R22-A24 HydrophobicContact CG-CB 4.36Å; R22-A24 PolarHBondContact O-N 3.45Å
25D93.6Very high93.3Very high94 Ų9471.3 Ų71.350%0.50340%0.4SS..THydrogen-bonded Turntrans-128.80.4-177.558.221.8000113.1R22 S27R22-D25 WeakPolarHBondContact CB-OD1 3Å; R22-D25 WeakPolarHBondContact CD-OD2 3.27Å; R22-D25 IonicContact NE-OD2 2.71Å; R22-D25 PolarHBondContact NE-OD2 2.97Å; D25-S27 PolarHBondContact O-N 3.25Å; D25-S27 VanDerWaalsContact OD1-CB 3.23Å; D25-S27 WeakPolarHBondContact OD1-CB 3.43Å; D25-S27 PolarHBondContact OD1-N 2.83Å; D25-S27 PolarHBondContact OD1-OG 2.88Å; D25-S27 PolarHBondContact OD2-OG 2.88Å
26F95.1Very high93.1Very high149 Ų14971.6 Ų71.665%0.65440%0.395SS*.  trans54.526-174.8-151.1-105.6000114.2L6 I21 R22L6-F26 HydrophobicContact CD1-CE2 4.39Å; I21-F26 HydrophobicContact CG2-CD2 4.07Å; I21-F26 HydrophobicContact CG2-CE2 4.36Å; I21-F26 HydrophobicContact CG2-CG 4.28Å; R22-F26 VanDerWaalsContact O-CA 3.24Å; R22-F26 WeakPolarHBondContact O-CA 3.22Å; R22-F26 PolarHBondContact O-N 2.82Å
27S94.1Very high92.9Very high46 Ų4673.8 Ų73.832%0.32241%0.408SS..PPolyproline II helixtrans-92.8152.3179.773.60000113I21 R22 D25I21-S27 CarbonylContact C-O 3.58Å; I21-S27 VanDerWaalsContact CA-O 3.3Å; I21-S27 WeakPolarHBondContact CA-O 3.25Å; R22-S27 PolarHBondContact N-O 3.03Å; D25-S27 PolarHBondContact O-N 3.25Å; D25-S27 VanDerWaalsContact OD1-CB 3.23Å; D25-S27 WeakPolarHBondContact OD1-CB 3.43Å; D25-S27 PolarHBondContact OD1-N 2.83Å; D25-S27 PolarHBondContact OD1-OG 2.88Å; D25-S27 PolarHBondContact OD2-OG 2.88Å
28F94.4Very high92.8Very high95 Ų9574.5 Ų74.542%0.41742%0.416SS..BIsolated β-bridgetrans-65.2135.7167.3-78.5-82.8000111.1I8 A19 Y20 I21 I36I8-F28 HydrophobicContact CD1-CE1 3.9Å; I8-F28 HydrophobicContact CD1-CZ 4.25Å; A19-F28 HydrophobicContact CB-CD1 3.96Å; A19-F28 HydrophobicContact CB-CE1 3.84Å; Y20-F28 WeakPolarHBondContact O-CA 3.48Å; I21-F28 HydrophobicContact CG1-CD1 4.24Å; I21-F28 HydrophobicContact CG1-CE1 4.3Å; F28-I36 HydrophobicContact CB-CD1 4.22Å; F28-I36 HydrophobicContact CB-CG1 4.06Å; F28-I36 HydrophobicContact CB-CG2 3.96Å; F28-I36 HydrophobicContact CD1-CG2 3.88Å; F28-I36 HydrophobicContact CD2-CD1 4.41Å; F28-I36 HydrophobicContact CG-CD1 4.24Å; F28-I36 HydrophobicContact CG-CG2 4.14Å
29V93.1Very high92.7Very high26 Ų2677.1 Ų77.116%0.15843%0.428CS..PPolyproline II helixtrans-63.9136.3171.2178.60000109.7H5 Y20 V37H5-V29 VanDerWaalsContact CD2-CG2 3.5Å; H5-V29 WeakPolarHBondContact CD2-CG2 3.32Å; Y20-V29 PolarHBondContact O-N 2.03Å; V29-V37 HydrophobicContact CG1-CB 4.42Å; V29-V37 HydrophobicContact CG1-CG2 4.05Å; V29-V37 PolarHBondContact O-N 3.2Å
30K93.5Very high92.6Very high132 Ų13281 Ų8157%0.57445%0.448SS*.BIsolated β-bridgetrans-118.4151.9179.8-69177.4169.1-160.80111.8G34 E35K30-G34 WeakPolarHBondContact CD-O 3.41Å; K30-E35 CarbonylContact C-O 3.57Å; K30-E35 WeakPolarHBondContact CA-O 3.48Å; K30-E35 WeakPolarHBondContact CB-O 3.12Å
31S91.1Very high92.6Very high49 Ų4978.8 Ų78.834%0.34344%0.439SS..  trans-75.5171.4169.967.60000111.5A33 G34 E35S31-A33 PolarHBondContact O-N 2.86Å; S31-A33 VanDerWaalsContact O-N 3.15Å; S31-A33 PolarHBondContact OG-N 3.18Å; S31-G34 PolarHBondContact O-N 2.84Å; S31-E35 PolarHBondContact N-O 3.25Å; S31-E35 PolarHBondContact OG-N 3.19Å; S31-E35 PolarHBondContact OG-O 3.32Å
32D88.7Confident92.6Very high181 Ų18184.5 Ų84.597%0.96846%0.46SS*.THydrogen-bonded Turntrans-61.4-19.9173.9-55.3-54000113G34D32-G34 VanDerWaalsContact C-N 3.33Å
33A88.8Confident92.6Very high83 Ų8380.9 Ų80.969%0.68645%0.448SS*.THydrogen-bonded Turntrans-83.3-4.4172.600000113.7S31 E35S31-A33 PolarHBondContact O-N 2.86Å; S31-A33 VanDerWaalsContact O-N 3.15Å; S31-A33 PolarHBondContact OG-N 3.18Å; A33-E35 VanDerWaalsContact C-N 3.34Å
34G89.1Confident92.7Very high41 Ų4179.4 Ų79.442%0.42344%0.435SS..SBendtrans84.7-1.8179.500000115.7K30 S31 D32K30-G34 WeakPolarHBondContact CD-O 3.41Å; S31-G34 PolarHBondContact O-N 2.84Å; D32-G34 VanDerWaalsContact C-N 3.33Å
35E91Very high92.8Very high144 Ų14475.6 Ų75.667%0.67340%0.403SS*.  trans-76152.8174.7-60-171.3139.300111.6K30 S31 A33K30-E35 CarbonylContact C-O 3.57Å; K30-E35 WeakPolarHBondContact CA-O 3.48Å; K30-E35 WeakPolarHBondContact CB-O 3.12Å; S31-E35 PolarHBondContact N-O 3.25Å; S31-E35 PolarHBondContact OG-N 3.19Å; S31-E35 PolarHBondContact OG-O 3.32Å; A33-E35 VanDerWaalsContact C-N 3.34Å
36I92.1Very high92.9Very high81 Ų8171.7 Ų71.742%0.41538%0.383SS..BIsolated β-bridgetrans-72.4133.9178-65.8167.6000109.9F28 T38F28-I36 HydrophobicContact CB-CD1 4.22Å; F28-I36 HydrophobicContact CB-CG1 4.06Å; F28-I36 HydrophobicContact CB-CG2 3.96Å; F28-I36 HydrophobicContact CD1-CG2 3.88Å; F28-I36 HydrophobicContact CD2-CD1 4.41Å; F28-I36 HydrophobicContact CG-CD1 4.24Å; F28-I36 HydrophobicContact CG-CG2 4.14Å; I36-T38 HydrophobicContact CG2-CG2 3.97Å; I36-T38 PolarHBondContact O-N 2.71Å
37V93Very high93Very high51 Ų5165.5 Ų65.531%0.30936%0.355SS..  trans-75.9104.9175.3-177.90000109.6Y20 V29Y20-V37 HydrophobicContact CD2-CG1 4.35Å; V29-V37 HydrophobicContact CG1-CB 4.42Å; V29-V37 HydrophobicContact CG1-CG2 4.05Å; V29-V37 PolarHBondContact O-N 3.2Å
38T93.3Very high93Very high76 Ų7664.8 Ų64.847%0.46635%0.348SS..EExtended strand (participates in β ladder)trans-113.7156.6176.858.20000112.3M17 C18 I36M17-T38 HydrophobicContact SD-CG2 4.35Å; C18-T38 CarbonylContact O-C 3.53Å; C18-T38 VanDerWaalsContact O-CA 3.29Å; C18-T38 WeakPolarHBondContact O-CA 3.5Å; I36-T38 HydrophobicContact CG2-CG2 3.97Å; I36-T38 PolarHBondContact O-N 2.71Å
39E93.1Very high93Very high56 Ų5664.6 Ų64.626%0.26236%0.356SS..EExtended strand (participates in β ladder)trans-133.7154.1174.3-67.9-173.4-14000111.2M17 C18 Y20 G41 R44M17-E39 WeakPolarHBondContact CA-O 3.2Å; C18-E39 HydrophobicContact CB-CB 4.48Å; C18-E39 PolarHBondContact N-O 2.94Å; C18-E39 PolarHBondContact O-N 3.41Å; Y20-E39 VanDerWaalsContact CE2-OE1 3.25Å; Y20-E39 WeakPolarHBondContact CE2-OE1 3.49Å; Y20-E39 PolarHBondContact OH-OE1 3.46Å; E39-G41 PolarHBondContact O-N 2.89Å; E39-R44 IonicContact OE2-CZ 3.16Å; E39-R44 IonicContact OE2-NH1 2.63Å; E39-R44 PolarHBondContact OE2-NH1 2.83Å; E39-R44 IonicContact OE2-NH2 3.96Å; E39-R44 PolarHBondContact OE2-NH2 2.79Å
40D92.9Very high93Very high91 Ų9169.2 Ų69.249%0.48738%0.38SS..EExtended strand (participates in β ladder)trans-61.1117.9172-178.69.2000110.6R42 R44D40-R42 WeakPolarHBondContact OD1-CB 3.43Å; D40-R42 PolarHBondContact OD1-N 2.97Å; D40-R42 IonicContact OD2-NE 2.77Å; D40-R44 VanDerWaalsContact O-CZ 3.29Å; D40-R44 PolarHBondContact O-NE 2.98Å; D40-R44 PolarHBondContact O-NH2 2.96Å
41G93.9Very high93Very high0 Ų066.2 Ų66.20%037%0.366CS..  trans-85.8-1.4179.200000114.4P16 C18 E39 S43 R44 C45P16-G41 VanDerWaalsContact CB-C 3.49Å; P16-G41 WeakPolarHBondContact O-CA 3.48Å; P16-G41 PolarHBondContact O-N 3.5Å; C18-G41 WeakPolarHBondContact SG-CA 3.49Å; E39-G41 PolarHBondContact O-N 2.89Å; G41-S43 PolarHBondContact O-N 2.62Å; G41-R44 WeakPolarHBondContact O-CA 3.41Å; G41-R44 VanDerWaalsContact O-CB 3.3Å; G41-R44 WeakPolarHBondContact O-CB 3.46Å; G41-R44 PolarHBondContact O-N 2.07Å; G41-C45 PolarHBondContact O-N 3.04Å
42R94.3Very high93.2Very high134 Ų13470.3 Ų70.351%0.50638%0.377SS..BIsolated β-bridgetrans-54.3130.5177.3-171.8-170.8-51.1-128.7-3.6111.1D40 R44 F47 S68D40-R42 WeakPolarHBondContact OD1-CB 3.43Å; D40-R42 PolarHBondContact OD1-N 2.97Å; D40-R42 IonicContact OD2-NE 2.77Å; R42-R44 PolarHBondContact O-N 3.03Å; R42-F47 HydrophobicContact CG-CE2 4.19Å; R42-F47 HydrophobicContact CG-CZ 4.11Å; R42-S68 VanDerWaalsContact CG-O 3.27Å; R42-S68 WeakPolarHBondContact CG-O 3.49Å
43S93.8Very high93.5Very high13 Ų1364.2 Ų64.29%0.09135%0.349CS..THydrogen-bonded Turntrans67-0.1-173.4-35.20000115.4G41 T66 S68 Y78G41-S43 PolarHBondContact O-N 2.62Å; S43-T66 WeakPolarHBondContact O-CG2 3.37Å; S43-S68 WeakPolarHBondContact OG-CB 3.45Å; S43-Y78 WeakPolarHBondContact O-CB 3.46Å; S43-Y78 VanDerWaalsContact O-CD1 3.27Å; S43-Y78 WeakPolarHBondContact O-CD1 3.07Å
44R94.8Very high94Very high35 Ų3561.2 Ų61.213%0.13232%0.322CS..THydrogen-bonded Turntrans-103.5-35.5176.4-45.9-166.8-152.9-169.14.7111.9Y7 E39 D40 G41 R42 L62 Y78Y7-R44 WeakPolarHBondContact OH-CD 3.41Å; Y7-R44 PolarHBondContact OH-NH1 3.39Å; E39-R44 IonicContact OE2-CZ 3.16Å; E39-R44 IonicContact OE2-NH1 2.63Å; E39-R44 PolarHBondContact OE2-NH1 2.83Å; E39-R44 IonicContact OE2-NH2 3.96Å; E39-R44 PolarHBondContact OE2-NH2 2.79Å; D40-R44 VanDerWaalsContact O-CZ 3.29Å; D40-R44 PolarHBondContact O-NE 2.98Å; D40-R44 PolarHBondContact O-NH2 2.96Å; G41-R44 WeakPolarHBondContact O-CA 3.41Å; G41-R44 VanDerWaalsContact O-CB 3.3Å; G41-R44 WeakPolarHBondContact O-CB 3.46Å; G41-R44 PolarHBondContact O-N 2.07Å; R42-R44 PolarHBondContact O-N 3.03Å; R44-L62 HydrophobicContact CB-CD2 3.86Å; R44-L62 HydrophobicContact CG-CD2 4.17Å; R44-Y78 HydrophobicContact CG-CD1 4.27Å; R44-Y78 HydrophobicContact CG-CE1 4.05Å
45C95.4Very high94.3Very high11 Ų1162 Ų627%0.07433%0.325CS..BIsolated β-bridgetrans-139.3161.6169.868.50000110.3C9 G10 G41C9-C45 HydrophobicContact CB-CB 3.66Å; G10-C45 PolarHBondContact O-SG 3.45Å; G41-C45 PolarHBondContact O-N 3.04Å
46P96.3Very high94.6Very high12 Ų1257 Ų578%0.07830%0.302CS..  trans-73.6162.6-177.729.5-34.7000112.6T11 Y51 S53 T66T11-P46 WeakPolarHBondContact CG2-O 3.46Å; P46-Y51 HydrophobicContact CB-CD2 4.47Å; P46-S53 WeakPolarHBondContact CD-OG 3.4Å; P46-T66 WeakPolarHBondContact CA-OG1 3.03Å
47F95.6Very high94.6Very high18 Ų1856.4 Ų56.48%0.07930%0.298CS..SBendtrans-78.2-51.3172.2-74.9-109.3000111.7T11 F14 P16 R42 S68 N69 F70T11-F47 WeakPolarHBondContact CB-O 3.36Å; F14-F47 WeakPolarHBondContact CA-O 3.28Å; F14-F47 VanDerWaalsContact CD1-O 3.3Å; F14-F47 WeakPolarHBondContact CD1-O 3.02Å; F14-F47 VanDerWaalsContact O-CD1 3.28Å; F14-F47 WeakPolarHBondContact O-CD1 3.47Å; P16-F47 VanDerWaalsContact CD-CD1 3.43Å; P16-F47 VanDerWaalsContact CD-CE1 3.48Å; P16-F47 HydrophobicContact CG-CB 4.35Å; P16-F47 HydrophobicContact CG-CD1 3.91Å; P16-F47 HydrophobicContact CG-CD2 3.68Å; P16-F47 HydrophobicContact CG-CE1 4.05Å; P16-F47 HydrophobicContact CG-CE2 3.82Å; P16-F47 HydrophobicContact CG-CG 3.71Å; P16-F47 HydrophobicContact CG-CZ 4Å; R42-F47 HydrophobicContact CG-CE2 4.19Å; R42-F47 HydrophobicContact CG-CZ 4.11Å; F47-S68 WeakPolarHBondContact CE2-O 3.39Å; F47-N69 VanDerWaalsContact CD2-O 3.26Å; F47-N69 WeakPolarHBondContact CD2-O 2.98Å; F47-F70 HydrophobicContact CD1-CB 3.92Å; F47-F70 HydrophobicContact CD1-CD2 4.34Å; F47-F70 HydrophobicContact CE1-CB 4.38Å; F47-F70 HydrophobicContact CG-CB 4.41Å
48N95.2Very high94.6Very high32 Ų3254 Ų5417%0.17128%0.284CS..SBendtrans-92.7132.7175.7-178.7-11.2000110.1F14 D50 Y51F14-N48 HydrophobicContact CD1-CB 4.09Å; F14-N48 HydrophobicContact CE1-CB 3.76Å; N48-D50 PolarHBondContact ND2-OD2 2.85Å; N48-D50 PolarHBondContact O-N 2.84Å; N48-D50 PolarHBondContact OD1-N 3.14Å; N48-D50 PolarHBondContact OD1-OD2 3.23Å; N48-Y51 HydrophobicContact CB-CD1 4.39Å; N48-Y51 HydrophobicContact CB-CD2 3.58Å; N48-Y51 HydrophobicContact CB-CE1 4.4Å; N48-Y51 HydrophobicContact CB-CE2 3.59Å; N48-Y51 HydrophobicContact CB-CG 3.99Å; N48-Y51 PolarHBondContact O-N 3.48Å; N48-Y51 VanDerWaalsContact O-N 3.12Å
49P94.1Very high94.3Very high91 Ų9155.8 Ų55.859%0.59129%0.29SS*.THydrogen-bonded Turntrans-56.7-23.117224.3-36.5000115.3T11 Y51T11-P49 HydrophobicContact CG2-CB 4.36Å; P49-Y51 VanDerWaalsContact C-N 3.31Å
50D92.9Very high94.1Very high123 Ų12354.1 Ų54.166%0.65829%0.289SS*.THydrogen-bonded Turntrans-72.6-23176.7-62.3-41.7000113.2N48 K52N48-D50 PolarHBondContact ND2-OD2 2.85Å; N48-D50 PolarHBondContact O-N 2.84Å; N48-D50 PolarHBondContact OD1-N 3.14Å; N48-D50 PolarHBondContact OD1-OD2 3.23Å; D50-K52 PolarHBondContact O-N 2.88Å
51Y93.9Very high94Very high69 Ų6951.8 Ų51.827%0.27128%0.275SS..SBendtrans-71.9121.1-177.9-65.6-29.7000111.1P46 N48 P49 S53 V67 F70 Q71 G72P46-Y51 HydrophobicContact CB-CD2 4.47Å; N48-Y51 HydrophobicContact CB-CD1 4.39Å; N48-Y51 HydrophobicContact CB-CD2 3.58Å; N48-Y51 HydrophobicContact CB-CE1 4.4Å; N48-Y51 HydrophobicContact CB-CE2 3.59Å; N48-Y51 HydrophobicContact CB-CG 3.99Å; N48-Y51 PolarHBondContact O-N 3.48Å; N48-Y51 VanDerWaalsContact O-N 3.12Å; P49-Y51 VanDerWaalsContact C-N 3.31Å; Y51-S53 PolarHBondContact O-N 2.82Å; Y51-V67 HydrophobicContact CD2-CG2 3.49Å; Y51-V67 VanDerWaalsContact CD2-CG2 3.49Å; Y51-V67 HydrophobicContact CE2-CG2 4.03Å; Y51-V67 HydrophobicContact CG-CG2 4.17Å; Y51-F70 PolarHBondContact OH-O 3.06Å; Y51-Q71 VanDerWaalsContact OH-C 3.24Å; Y51-Q71 PolarHBondContact OH-O 3.26Å; Y51-G72 PolarHBondContact OH-N 2.86Å
52K94.5Very high94.1Very high135 Ų13552.1 Ų52.159%0.58728%0.277SS*.  trans-69.3122.4-179.3-62.3-55.7-176.5-1740111.1D50 A100 F101D50-K52 PolarHBondContact O-N 2.88Å; K52-A100 HydrophobicContact CB-CB 4.19Å; K52-A100 HydrophobicContact CG-CB 4.29Å; K52-F101 WeakPolarHBondContact CB-O 3.49Å
53S96.5Very high94.2Very high52 Ų5245.8 Ų45.836%0.36425%0.253SS..  trans-139.1153.5-178.562.20000111.5P46 Y51 G65P46-S53 WeakPolarHBondContact CD-OG 3.4Å; Y51-S53 PolarHBondContact O-N 2.82Å; S53-G65 CarbonylContact C-O 3.47Å; S53-G65 WeakPolarHBondContact CA-O 3.29Å; S53-G65 WeakPolarHBondContact CB-O 3.07Å
54T97.5Very high94.4Very high21 Ų2145.1 Ų45.113%0.12925%0.248CC..EExtended strand (participates in β ladder)trans-130.4151171.3-170.80000110.2A64 G65 F101 G103 S104 F125T54-A64 CarbonylContact O-C 3.58Å; T54-A64 WeakPolarHBondContact O-CA 3.39Å; T54-G65 PolarHBondContact N-O 3.19Å; T54-G65 PolarHBondContact O-N 3Å; T54-F101 HydrophobicContact CG2-CB 4.02Å; T54-F101 HydrophobicContact CG2-CD1 4.13Å; T54-F101 HydrophobicContact CG2-CG 4.34Å; T54-G103 WeakPolarHBondContact OG1-CA 3.5Å; T54-S104 PolarHBondContact OG1-N 3.03Å; T54-S104 VanDerWaalsContact OG1-N 3.13Å; T54-S104 PolarHBondContact OG1-OG 2.89Å; T54-F125 HydrophobicContact CG2-CD1 4.02Å
55A96.8Very high94.5Very high58 Ų5843.5 Ų43.548%0.47924%0.242SC..EExtended strand (participates in β ladder)trans-147.3145.5174.200000111L62 Y63 A64A55-L62 HydrophobicContact CB-CD1 4.22Å; A55-Y63 CarbonylContact C-O 3.6Å; A55-Y63 VanDerWaalsContact CA-O 3.29Å; A55-Y63 WeakPolarHBondContact CA-O 3.02Å; A55-A64 HydrophobicContact CB-CB 4.3Å
56I96Very high94.6Very high39 Ų3943 Ų4320%0.224%0.239CC..EExtended strand (participates in β ladder)trans-142.1144.6177-170.7166.2000110.8Y63 I123I56-Y63 PolarHBondContact N-O 3.49Å; I56-Y63 PolarHBondContact O-N 3.43Å; I56-I123 HydrophobicContact CG2-CG2 3.79Å
57M93.3Very high94.5Very high68 Ų6843.1 Ų43.134%0.33524%0.239SC..EExtended strand (participates in β ladder)trans-97.9126.7173.5-70-57.6-49.500110M1 G60 E61 L62 L81M1-M57 HydrophobicContact CE-CE 3.34Å; M1-M57 HydrophobicContact CE-SD 3.6Å; M1-M57 VanDerWaalsContact CE-SD 3.6Å; M1-M57 HydrophobicContact CG-CE 4.47Å; M1-M57 HydrophobicContact SD-CE 3.8Å; M1-M57 HydrophobicContact SD-SD 4.28Å; M57-G60 VanDerWaalsContact CE-O 3.27Å; M57-G60 WeakPolarHBondContact CE-O 3.45Å; M57-E61 WeakPolarHBondContact CA-O 3.42Å; M57-E61 VanDerWaalsContact CE-C 3.46Å; M57-E61 VanDerWaalsContact CE-O 3.27Å; M57-E61 WeakPolarHBondContact CE-O 3.31Å; M57-L62 HydrophobicContact CE-CB 4.47Å; M57-L62 HydrophobicContact SD-CB 3.77Å; M57-L62 HydrophobicContact SD-CD1 3.53Å; M57-L62 VanDerWaalsContact SD-CD1 3.53Å; M57-L62 HydrophobicContact SD-CG 4.27Å; M57-L81 HydrophobicContact CE-CD1 4.33Å; M57-L81 HydrophobicContact SD-CD1 4.46Å
58A91.9Very high94.4Very high1 Ų143 Ų431%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-130.6123.9174.100000109.5G60 E61 Y63 Y106 I123A58-G60 PolarHBondContact O-N 2.87Å; A58-E61 PolarHBondContact N-O 3.12Å; A58-E61 PolarHBondContact O-N 3.4Å; A58-Y63 HydrophobicContact CB-CD2 4.2Å; A58-Y63 HydrophobicContact CB-CE2 4.01Å; A58-Y106 HydrophobicContact CB-CD1 3.6Å; A58-Y106 HydrophobicContact CB-CD2 4.38Å; A58-Y106 HydrophobicContact CB-CE1 3.71Å; A58-Y106 HydrophobicContact CB-CE2 4.48Å; A58-Y106 HydrophobicContact CB-CG 3.96Å; A58-I123 HydrophobicContact CB-CD1 3.69Å
59D87.6Confident94.2Very high112 Ų11242.6 Ų42.660%0.59924%0.238SC*.THydrogen-bonded Turntrans4920.3-177.8-59.4-0.7000115.6Y106 K150D59-Y106 PolarHBondContact OD1-OH 2.99Å; D59-Y106 PolarHBondContact OD2-OH 3.43Å; D59-K150 WeakPolarHBondContact OD2-CE 2.98Å; D59-K150 IonicContact OD2-NZ 3.85Å; D59-K150 PolarHBondContact OD2-NZ 3.11Å
60G88.1Confident94.1Very high22 Ų2244.2 Ų44.223%0.22724%0.236CC..THydrogen-bonded Turntrans97.4-3.7-17800000115.5M57 A58M57-G60 VanDerWaalsContact CE-O 3.27Å; M57-G60 WeakPolarHBondContact CE-O 3.45Å; A58-G60 PolarHBondContact O-N 2.87Å
61E92.1Very high94Very high41 Ų4144.7 Ų44.719%0.19224%0.235CC..EExtended strand (participates in β ladder)trans-91.7143171.2-55.2-178.6116.600110.4M57 A58 Y63 K79 S82M57-E61 WeakPolarHBondContact CA-O 3.42Å; M57-E61 VanDerWaalsContact CE-C 3.46Å; M57-E61 VanDerWaalsContact CE-O 3.27Å; M57-E61 WeakPolarHBondContact CE-O 3.31Å; A58-E61 PolarHBondContact N-O 3.12Å; A58-E61 PolarHBondContact O-N 3.4Å; E61-Y63 HydrophobicContact CB-CE2 3.95Å; E61-K79 WeakPolarHBondContact OE1-CE 3.44Å; E61-K79 IonicContact OE1-NZ 3.34Å; E61-K79 PolarHBondContact OE1-NZ 3.24Å; E61-K79 WeakPolarHBondContact OE2-CE 3.03Å; E61-K79 IonicContact OE2-NZ 3.76Å; E61-K79 PolarHBondContact OE2-NZ 2.02Å; E61-S82 WeakPolarHBondContact OE1-CB 3.32Å
62L94.8Very high93.8Very high8 Ų842.3 Ų42.34%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-96.1126.3178.5177.673.5000110.6Y7 R44 A55 M57 K79 S80 L81Y7-L62 HydrophobicContact CE1-CD1 4.28Å; Y7-L62 HydrophobicContact CE1-CD2 3.72Å; R44-L62 HydrophobicContact CB-CD2 3.86Å; R44-L62 HydrophobicContact CG-CD2 4.17Å; A55-L62 HydrophobicContact CB-CD1 4.22Å; M57-L62 HydrophobicContact CE-CB 4.47Å; M57-L62 HydrophobicContact SD-CB 3.77Å; M57-L62 HydrophobicContact SD-CD1 3.53Å; M57-L62 VanDerWaalsContact SD-CD1 3.53Å; M57-L62 HydrophobicContact SD-CG 4.27Å; L62-K79 CarbonylContact O-C 3.6Å; L62-K79 WeakPolarHBondContact O-CA 3.25Å; L62-S80 PolarHBondContact N-O 3.47Å; L62-S80 PolarHBondContact O-N 3.36Å; L62-L81 HydrophobicContact CB-CB 4.47Å; L62-L81 HydrophobicContact CB-CD1 3.82Å; L62-L81 HydrophobicContact CB-CG 4.04Å
63Y97.4Very high93.6Very high0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-112.6120.6172.7-70.1-106.3000108.9A55 I56 A58 E61 Y78 K79 I123 V148 K150 W163A55-Y63 CarbonylContact C-O 3.6Å; A55-Y63 VanDerWaalsContact CA-O 3.29Å; A55-Y63 WeakPolarHBondContact CA-O 3.02Å; I56-Y63 PolarHBondContact N-O 3.49Å; I56-Y63 PolarHBondContact O-N 3.43Å; A58-Y63 HydrophobicContact CB-CD2 4.2Å; A58-Y63 HydrophobicContact CB-CE2 4.01Å; E61-Y63 HydrophobicContact CB-CE2 3.95Å; Y63-Y78 WeakPolarHBondContact CA-O 3.38Å; Y63-K79 HydrophobicContact CE1-CD 3.96Å; Y63-K79 HydrophobicContact CE1-CG 4.22Å; Y63-K79 HydrophobicContact CE2-CD 4.43Å; Y63-K79 HydrophobicContact CE2-CG 4.4Å; Y63-K79 VanDerWaalsContact OH-CE 3.22Å; Y63-K79 WeakPolarHBondContact OH-CE 3.29Å; Y63-K79 PolarHBondContact OH-NZ 2.86Å; Y63-K79 VanDerWaalsContact OH-NZ 3.1Å; Y63-I123 HydrophobicContact CD1-CB 3.95Å; Y63-I123 HydrophobicContact CD1-CG1 3.61Å; Y63-I123 HydrophobicContact CD1-CG2 4.06Å; Y63-I123 HydrophobicContact CD2-CG1 4.14Å; Y63-I123 HydrophobicContact CE1-CB 4.19Å; Y63-I123 HydrophobicContact CE1-CG1 3.52Å; Y63-I123 HydrophobicContact CE2-CG1 4.11Å; Y63-I123 HydrophobicContact CG-CB 4.42Å; Y63-I123 HydrophobicContact CG-CG1 3.92Å; Y63-I123 HydrophobicContact CG-CG2 4.16Å; Y63-V148 HydrophobicContact CD1-CG2 4.25Å; Y63-V148 HydrophobicContact CE1-CG2 4.08Å; Y63-K150 WeakPolarHBondContact OH-CA 3.44Å; Y63-K150 PolarHBondContact OH-O 2.62Å; Y63-W163 AromaticContact CD1-CH2 3.85Å; Y63-W163 HydrophobicContact CD1-CH2 3.85Å; Y63-W163 HydrophobicContact CD1-CZ2 4.42Å; Y63-W163 AromaticContact CE1-CH2 3.55Å; Y63-W163 HydrophobicContact CE1-CH2 3.55Å; Y63-W163 HydrophobicContact CE1-CZ3 4.22Å
64A97.6Very high93.5Very high0 Ų041.6 Ų41.60%023%0.227CC..EExtended strand (participates in β ladder)trans-130.5137.7-175.600000112.1T54 A55 I77 Y78T54-A64 CarbonylContact O-C 3.58Å; T54-A64 WeakPolarHBondContact O-CA 3.39Å; A55-A64 HydrophobicContact CB-CB 4.3Å; A64-I77 CarbonylContact O-C 3.49Å; A64-I77 WeakPolarHBondContact O-CA 3.4Å; A64-Y78 PolarHBondContact N-O 2.92Å; A64-Y78 PolarHBondContact O-N 2.71Å
65G97.9Very high93.4Very high0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-110.5114.3166.500000109.3S53 T54 I76 F101S53-G65 CarbonylContact C-O 3.47Å; S53-G65 WeakPolarHBondContact CA-O 3.29Å; S53-G65 WeakPolarHBondContact CB-O 3.07Å; T54-G65 PolarHBondContact N-O 3.19Å; T54-G65 PolarHBondContact O-N 3Å; G65-I76 WeakPolarHBondContact CA-O 3.35Å; G65-F101 VanDerWaalsContact C-CD2 3.48Å; G65-F101 VanDerWaalsContact C-CE2 3.44Å; G65-F101 WeakPolarHBondContact O-CD2 3.38Å
66T96.8Very high93.5Very high2 Ų238.6 Ų38.61%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-160.3-159.3-173.6-167.90000110.9S43 P46 I76S43-T66 WeakPolarHBondContact O-CG2 3.37Å; P46-T66 WeakPolarHBondContact CA-OG1 3.03Å; T66-I76 HydrophobicContact CG2-CG2 3.99Å; T66-I76 PolarHBondContact N-O 3.13Å; T66-I76 PolarHBondContact O-N 2.82Å
67V94.9Very high93.6Very high14 Ų1436.8 Ų36.89%0.08519%0.193CC..EExtended strand (participates in β ladder)trans-114.3140170.3-65.40000110.9Y51 G72 E74Y51-V67 HydrophobicContact CD2-CG2 3.49Å; Y51-V67 VanDerWaalsContact CD2-CG2 3.49Å; Y51-V67 HydrophobicContact CE2-CG2 4.03Å; Y51-V67 HydrophobicContact CG-CG2 4.17Å; V67-G72 WeakPolarHBondContact CG1-O 3.12Å; V67-E74 CarbonylContact C-O 3.54Å; V67-E74 WeakPolarHBondContact CA-O 3.46Å
68S92.8Very high93.7Very high16 Ų1635.6 Ų35.611%0.11219%0.185CC..SBendtrans-86.4-5.3-176.548.20000115.3R42 S43 F47 E74R42-S68 VanDerWaalsContact CG-O 3.27Å; R42-S68 WeakPolarHBondContact CG-O 3.49Å; S43-S68 WeakPolarHBondContact OG-CB 3.45Å; F47-S68 WeakPolarHBondContact CE2-O 3.39Å; S68-E74 PolarHBondContact N-O 3.42Å; S68-E74 WeakPolarHBondContact OG-CB 3.14Å; S68-E74 PolarHBondContact OG-O 3.34Å; S68-E74 PolarHBondContact OG-OE2 2.74Å
69N91.7Very high93.9Very high22 Ų2235.9 Ų35.912%0.11819%0.186CC..SBendtrans-137.8169.5-177.178.511.9000113.8F47 Q71 G72 N73 E74F47-N69 VanDerWaalsContact CD2-O 3.26Å; F47-N69 WeakPolarHBondContact CD2-O 2.98Å; N69-Q71 VanDerWaalsContact C-N 3.3Å; N69-Q71 PolarHBondContact O-N 2.69Å; N69-Q71 PolarHBondContact OD1-N 2.81Å; N69-Q71 VanDerWaalsContact OD1-N 3.11Å; N69-G72 PolarHBondContact OD1-N 3.33Å; N69-N73 PolarHBondContact ND2-OD1 2.99Å; N69-N73 PolarHBondContact OD1-OD1 3.16Å; N69-E74 VanDerWaalsContact ND2-CG 3.3Å; N69-E74 WeakPolarHBondContact ND2-CG 3.27Å; N69-E74 PolarHBondContact ND2-OE1 2.72Å
70F90.6Very high94.1Very high125 Ų12530.8 Ų30.855%0.54816%0.159SC..THydrogen-bonded Turntrans-64.2-30.1179.7178.7-86.9000113.7F14 F47 Y51F14-F70 HydrophobicContact CB-CD2 3.77Å; F14-F70 HydrophobicContact CB-CE2 3.55Å; F14-F70 HydrophobicContact CD1-CD2 4.45Å; F14-F70 AromaticContact CD1-CE2 3.92Å; F14-F70 HydrophobicContact CD1-CE2 3.92Å; F14-F70 HydrophobicContact CG-CD2 4.39Å; F14-F70 AromaticContact CG-CE2 3.8Å; F14-F70 HydrophobicContact CG-CE2 3.8Å; F47-F70 HydrophobicContact CD1-CB 3.92Å; F47-F70 HydrophobicContact CD1-CD2 4.34Å; F47-F70 HydrophobicContact CE1-CB 4.38Å; F47-F70 HydrophobicContact CG-CB 4.41Å; Y51-F70 PolarHBondContact OH-O 3.06Å
71Q91.6Very high93.6Very high134 Ų13432 Ų3263%0.62616%0.16SC*.THydrogen-bonded Turntrans-80.4-14.6-175.1-67.5-177.5-900113.7Y51 N69 N73Y51-Q71 VanDerWaalsContact OH-C 3.24Å; Y51-Q71 PolarHBondContact OH-O 3.26Å; N69-Q71 VanDerWaalsContact C-N 3.3Å; N69-Q71 PolarHBondContact O-N 2.69Å; N69-Q71 PolarHBondContact OD1-N 2.81Å; N69-Q71 VanDerWaalsContact OD1-N 3.11Å; Q71-N73 PolarHBondContact O-N 2.91Å; Q71-N73 PolarHBondContact OE1-ND2 2.91Å
72G89.1Confident92.6Very high19 Ų1931.5 Ų31.520%0.19616%0.162CC..SBendtrans74.64.3-178.600000115.3Y51 V67 N69Y51-G72 PolarHBondContact OH-N 2.86Å; V67-G72 WeakPolarHBondContact CG1-O 3.12Å; N69-G72 PolarHBondContact OD1-N 3.33Å
73N91.3Very high91.3Very high87 Ų8741.4 Ų41.447%0.46521%0.208SC..  trans-94.61.5-177.260.25.4000114.2N69 Q71 P75N69-N73 PolarHBondContact ND2-OD1 2.99Å; N69-N73 PolarHBondContact OD1-OD1 3.16Å; Q71-N73 PolarHBondContact O-N 2.91Å; Q71-N73 PolarHBondContact OE1-ND2 2.91Å; N73-P75 VanDerWaalsContact C-CD 3.5Å; N73-P75 VanDerWaalsContact O-CD 3.29Å; N73-P75 WeakPolarHBondContact O-CD 3.21Å
74E93.9Very high90Very high84 Ų8444 Ų4439%0.39324%0.235SC..  trans-110.885169.1-72170.2-145.900110.7V67 S68 N69V67-E74 CarbonylContact C-O 3.54Å; V67-E74 WeakPolarHBondContact CA-O 3.46Å; S68-E74 PolarHBondContact N-O 3.42Å; S68-E74 WeakPolarHBondContact OG-CB 3.14Å; S68-E74 PolarHBondContact OG-O 3.34Å; S68-E74 PolarHBondContact OG-OE2 2.74Å; N69-E74 VanDerWaalsContact ND2-CG 3.3Å; N69-E74 WeakPolarHBondContact ND2-CG 3.27Å; N69-E74 PolarHBondContact ND2-OE1 2.72Å
75P96.1Very high89.1Confident9 Ų947 Ų476%0.05825%0.253CS..EExtended strand (participates in β ladder)trans-74.3138.7174.729.3-34.2000112.4N73 L96 P99N73-P75 VanDerWaalsContact C-CD 3.5Å; N73-P75 VanDerWaalsContact O-CD 3.29Å; N73-P75 WeakPolarHBondContact O-CD 3.21Å; P75-L96 HydrophobicContact CB-CB 4.04Å; P75-L96 HydrophobicContact CB-CD1 4.23Å; P75-L96 HydrophobicContact CG-CB 3.94Å; P75-P99 HydrophobicContact CB-CG 3.43Å; P75-P99 VanDerWaalsContact CB-CG 3.43Å; P75-P99 HydrophobicContact CG-CG 4.29Å
76I97.1Very high88.8Confident8 Ų848.8 Ų48.84%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-140.7138.1-172.1-162.4166.1000112G65 T66 Y78 K88G65-I76 WeakPolarHBondContact CA-O 3.35Å; T66-I76 HydrophobicContact CG2-CG2 3.99Å; T66-I76 PolarHBondContact N-O 3.13Å; T66-I76 PolarHBondContact O-N 2.82Å; I76-Y78 HydrophobicContact CD1-CD2 4.45Å; I76-K88 HydrophobicContact CD1-CB 3.72Å; I76-K88 HydrophobicContact CD1-CD 3.85Å; I76-K88 HydrophobicContact CD1-CG 4.45Å; I76-K88 HydrophobicContact CG1-CB 3.95Å
77I98.1Very high88.7Confident0 Ų048.7 Ų48.70%027%0.268CS..EExtended strand (participates in β ladder)trans-108.1120.4157.2-70162.9000107.4A64 K88 T89 L96 F101 F125 W163 F166A64-I77 CarbonylContact O-C 3.49Å; A64-I77 WeakPolarHBondContact O-CA 3.4Å; I77-K88 WeakPolarHBondContact O-CA 3.33Å; I77-T89 HydrophobicContact CB-CG2 3.8Å; I77-T89 PolarHBondContact N-OG1 3.43Å; I77-T89 PolarHBondContact O-N 2.71Å; I77-L96 HydrophobicContact CD1-CD1 4.25Å; I77-L96 HydrophobicContact CD1-CD2 4.13Å; I77-L96 HydrophobicContact CG1-CD1 4.13Å; I77-F101 HydrophobicContact CD1-CE1 4.02Å; I77-F101 HydrophobicContact CD1-CZ 4.44Å; I77-F101 HydrophobicContact CG1-CE1 3.8Å; I77-F101 HydrophobicContact CG1-CZ 3.91Å; I77-F125 HydrophobicContact CD1-CB 4.27Å; I77-F125 HydrophobicContact CD1-CD1 4.43Å; I77-F125 HydrophobicContact CD1-CD2 4.18Å; I77-F125 HydrophobicContact CD1-CG 4.05Å; I77-F125 HydrophobicContact CG1-CD1 4.36Å; I77-F125 HydrophobicContact CG1-CE1 4.5Å; I77-F125 HydrophobicContact CG1-CG 4.46Å; I77-F125 HydrophobicContact CG2-CD1 4.46Å; I77-F125 HydrophobicContact CG2-CD2 4.14Å; I77-F125 HydrophobicContact CG2-CE1 3.92Å; I77-F125 HydrophobicContact CG2-CE2 3.55Å; I77-F125 HydrophobicContact CG2-CZ 3.41Å; I77-F125 VanDerWaalsContact CG2-CZ 3.41Å; I77-W163 HydrophobicContact CG2-CZ2 4.39Å; I77-W163 PolarHBondContact O-NE1 2.84Å; I77-F166 HydrophobicContact CD1-CE2 3.78Å
78Y96.6Very high88.8Confident44 Ų4452.9 Ų52.917%0.17329%0.285CS..EExtended strand (participates in β ladder)trans-126.8143.2-164.1-174-126.6000112.1S43 R44 Y63 A64 I76 A86 L87 K88S43-Y78 WeakPolarHBondContact O-CB 3.46Å; S43-Y78 VanDerWaalsContact O-CD1 3.27Å; S43-Y78 WeakPolarHBondContact O-CD1 3.07Å; R44-Y78 HydrophobicContact CG-CD1 4.27Å; R44-Y78 HydrophobicContact CG-CE1 4.05Å; Y63-Y78 WeakPolarHBondContact CA-O 3.38Å; A64-Y78 PolarHBondContact N-O 2.92Å; A64-Y78 PolarHBondContact O-N 2.71Å; I76-Y78 HydrophobicContact CD1-CD2 4.45Å; Y78-A86 HydrophobicContact CE2-CB 4.01Å; Y78-L87 CarbonylContact C-O 3.57Å; Y78-L87 WeakPolarHBondContact CA-O 3.36Å; Y78-L87 WeakPolarHBondContact CD2-O 3.04Å; Y78-K88 HydrophobicContact CD2-CB 4.13Å
79K95.9Very high89Confident6 Ų652.6 Ų52.63%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-119130.1171.9-178.3179.4-179.41770110.3E61 L62 Y63 A86 L87 K150 W163E61-K79 WeakPolarHBondContact OE1-CE 3.44Å; E61-K79 IonicContact OE1-NZ 3.34Å; E61-K79 PolarHBondContact OE1-NZ 3.24Å; E61-K79 WeakPolarHBondContact OE2-CE 3.03Å; E61-K79 IonicContact OE2-NZ 3.76Å; E61-K79 PolarHBondContact OE2-NZ 2.02Å; L62-K79 CarbonylContact O-C 3.6Å; L62-K79 WeakPolarHBondContact O-CA 3.25Å; Y63-K79 HydrophobicContact CE1-CD 3.96Å; Y63-K79 HydrophobicContact CE1-CG 4.22Å; Y63-K79 HydrophobicContact CE2-CD 4.43Å; Y63-K79 HydrophobicContact CE2-CG 4.4Å; Y63-K79 VanDerWaalsContact OH-CE 3.22Å; Y63-K79 WeakPolarHBondContact OH-CE 3.29Å; Y63-K79 PolarHBondContact OH-NZ 2.86Å; Y63-K79 VanDerWaalsContact OH-NZ 3.1Å; K79-A86 VanDerWaalsContact O-CA 3.25Å; K79-A86 WeakPolarHBondContact O-CA 3.5Å; K79-A86 VanDerWaalsContact O-CB 3.31Å; K79-A86 WeakPolarHBondContact O-CB 3.01Å; K79-L87 HydrophobicContact CB-CB 4.21Å; K79-L87 PolarHBondContact N-O 2.9Å; K79-L87 PolarHBondContact O-N 3.19Å; K79-K150 PolarHBondContact NZ-O 2.58Å; K79-W163 HydrophobicContact CB-CH2 3.49Å; K79-W163 VanDerWaalsContact CB-CH2 3.49Å; K79-W163 HydrophobicContact CB-CZ2 3.62Å; K79-W163 HydrophobicContact CD-CH2 3.83Å; K79-W163 HydrophobicContact CD-CZ3 4.22Å; K79-W163 HydrophobicContact CG-CH2 4.16Å
80S91.4Very high89.1Confident5 Ų552.9 Ų52.94%0.03528%0.283CS..EExtended strand (participates in β ladder)trans-148.5-176.3-178.2590000112.3L62 S82L62-S80 PolarHBondContact N-O 3.47Å; L62-S80 PolarHBondContact O-N 3.36Å; S80-S82 PolarHBondContact O-N 2.66Å; S80-S82 VanDerWaalsContact O-N 3.1Å
81L78Confident88.9Confident47 Ų4750.6 Ų50.625%0.24628%0.277CS..SBendtrans62.24.3-173.6-56.1-177.5000116.1M1 Y7 M57 L62M1-L81 HydrophobicContact CE-CD1 3.19Å; Y7-L81 HydrophobicContact CD1-CD1 4.32Å; Y7-L81 HydrophobicContact CD2-CD1 4.13Å; Y7-L81 HydrophobicContact CE1-CD1 4.05Å; Y7-L81 HydrophobicContact CE2-CD1 3.81Å; Y7-L81 HydrophobicContact CE2-CD2 4.1Å; Y7-L81 HydrophobicContact CG-CD1 4.34Å; M57-L81 HydrophobicContact CE-CD1 4.33Å; M57-L81 HydrophobicContact SD-CD1 4.46Å; L62-L81 HydrophobicContact CB-CB 4.47Å; L62-L81 HydrophobicContact CB-CD1 3.82Å; L62-L81 HydrophobicContact CB-CG 4.04Å
82S71.3Confident88.7Confident31 Ų3147.7 Ų47.722%0.21727%0.271CS..SBendtrans-74.5156.2168.474.60000111E61 S80 G84E61-S82 WeakPolarHBondContact OE1-CB 3.32Å; S80-S82 PolarHBondContact O-N 2.66Å; S80-S82 VanDerWaalsContact O-N 3.1Å; S82-G84 PolarHBondContact O-N 3.28Å; S82-G84 PolarHBondContact OG-N 2.04Å
83Q66.8Low88.5Confident216 Ų21648.3 Ų48.3100%1.00927%0.269SS*.SBendtrans-750.3167.6-68.6-177.5-22.900112.7
84G69.6Low88.5Confident56 Ų5647.8 Ų47.858%0.57727%0.267SS*.SBendtrans-115-151.7-174.600000113.1S82 A86S82-G84 PolarHBondContact O-N 3.28Å; S82-G84 PolarHBondContact OG-N 2.04Å; G84-A86 PolarHBondContact O-N 2.97Å
85T79Confident88.5Confident61 Ų6143.9 Ų43.937%0.37425%0.248SC..  trans-73.9120.1-179-57.90000111.3L87 K161T85-L87 HydrophobicContact CG2-CD2 3.96Å; T85-K161 HydrophobicContact CG2-CB 3.75Å; T85-K161 HydrophobicContact CG2-CD 4.06Å; T85-K161 HydrophobicContact CG2-CG 3.58Å
86A92.3Very high88.5Confident39 Ų3943.7 Ų43.732%0.32225%0.247SC..  trans-65.3131.6166.200000110.7Y78 K79 G84Y78-A86 HydrophobicContact CE2-CB 4.01Å; K79-A86 VanDerWaalsContact O-CA 3.25Å; K79-A86 WeakPolarHBondContact O-CA 3.5Å; K79-A86 VanDerWaalsContact O-CB 3.31Å; K79-A86 WeakPolarHBondContact O-CB 3.01Å; G84-A86 PolarHBondContact O-N 2.97Å
87L95.8Very high88.4Confident0 Ų044.8 Ų44.80%025%0.252CS..EExtended strand (participates in β ladder)trans-110.8145.7-175.1-59.3-174.8000112.4Y78 K79 T85 D152 K161 W163Y78-L87 CarbonylContact C-O 3.57Å; Y78-L87 WeakPolarHBondContact CA-O 3.36Å; Y78-L87 WeakPolarHBondContact CD2-O 3.04Å; K79-L87 HydrophobicContact CB-CB 4.21Å; K79-L87 PolarHBondContact N-O 2.9Å; K79-L87 PolarHBondContact O-N 3.19Å; T85-L87 HydrophobicContact CG2-CD2 3.96Å; L87-D152 HydrophobicContact CD1-CB 4.15Å; L87-D152 VanDerWaalsContact CD1-O 3.31Å; L87-D152 WeakPolarHBondContact CD1-O 3.04Å; L87-K161 WeakPolarHBondContact CA-O 3.29Å; L87-W163 HydrophobicContact CB-CD2 4.06Å; L87-W163 HydrophobicContact CB-CE3 4.23Å; L87-W163 HydrophobicContact CB-CH2 4.39Å; L87-W163 HydrophobicContact CB-CZ2 4.21Å; L87-W163 HydrophobicContact CB-CZ3 4.4Å; L87-W163 HydrophobicContact CD1-CD2 4.22Å; L87-W163 HydrophobicContact CD1-CE3 3.63Å; L87-W163 HydrophobicContact CD1-CH2 4.46Å; L87-W163 HydrophobicContact CD1-CZ3 3.77Å
88K95.8Very high88.2Confident102 Ų10250.4 Ų50.444%0.44328%0.282SS..EExtended strand (participates in β ladder)trans-136.5168.4172.460.2-176.9177.9178.50114I76 I77 Y78 K161 K162 W163I76-K88 HydrophobicContact CD1-CB 3.72Å; I76-K88 HydrophobicContact CD1-CD 3.85Å; I76-K88 HydrophobicContact CD1-CG 4.45Å; I76-K88 HydrophobicContact CG1-CB 3.95Å; I77-K88 WeakPolarHBondContact O-CA 3.33Å; Y78-K88 HydrophobicContact CD2-CB 4.13Å; K88-K161 PolarHBondContact N-O 2.8Å; K88-K162 HydrophobicContact CG-CD 3.66Å; K88-K162 WeakPolarHBondContact O-CA 3.45Å; K88-K162 WeakPolarHBondContact O-CD 3.46Å; K88-W163 VanDerWaalsContact O-CD1 3.27Å; K88-W163 PolarHBondContact O-N 2.99Å; K88-W163 VanDerWaalsContact O-N 3.16Å
89T96.9Very high88.2Confident10 Ų1049.1 Ų49.16%0.06128%0.279CS..  trans-62.9155.817140.20000112.9I77 W95 L96 K162I77-T89 HydrophobicContact CB-CG2 3.8Å; I77-T89 PolarHBondContact N-OG1 3.43Å; I77-T89 PolarHBondContact O-N 2.71Å; T89-W95 HydrophobicContact CG2-CE3 3.98Å; T89-L96 HydrophobicContact CG2-CD1 4.16Å; T89-K162 PolarHBondContact O-NZ 3.43Å
90E93.4Very high88.3Confident27 Ų2750.5 Ų50.513%0.12629%0.291CS..  trans-87.3139.7170.1-174.844.4-116.700110.8S92 W95 L159 K162 K287E90-S92 WeakPolarHBondContact OE1-CB 3.29Å; E90-S92 PolarHBondContact OE1-N 2.56Å; E90-S92 PolarHBondContact OE1-OG 3.39Å; E90-W95 HydrophobicContact CB-CD2 3.81Å; E90-W95 HydrophobicContact CB-CE3 4.1Å; E90-W95 HydrophobicContact CB-CG 4.41Å; E90-W95 HydrophobicContact CB-CH2 4.13Å; E90-W95 HydrophobicContact CB-CZ2 3.86Å; E90-W95 HydrophobicContact CB-CZ3 4.23Å; E90-W95 VanDerWaalsContact N-CE3 3.27Å; E90-W95 VanDerWaalsContact O-CB 3.28Å; E90-W95 WeakPolarHBondContact O-CB 3.49Å; E90-L159 HydrophobicContact CB-CD2 4.1Å; E90-L159 HydrophobicContact CG-CD2 4.32Å; E90-K162 IonicContact OE1-NZ 3.47Å; E90-K162 IonicContact OE2-NZ 3.86Å; E90-K162 PolarHBondContact OE2-NZ 3.32Å; E90-K287 HydrophobicContact CG-CG 4.27Å
91N88.1Confident88.6Confident78 Ų7850.5 Ų50.542%0.41729%0.291SS..THydrogen-bonded Turntrans-111-9.5-175.1-148.249.9000112.9L93 N94N91-L93 PolarHBondContact O-N 3.27Å; N91-N94 PolarHBondContact O-N 2.85Å; N91-N94 PolarHBondContact O-OD1 2.91Å; N91-N94 VanDerWaalsContact O-OD1 3.13Å
92S85.4Confident89.5Confident72 Ų7250.1 Ų50.150%0.50329%0.29SS..THydrogen-bonded Turntrans-52.6-25.4179.8-59.90000114.5E90E90-S92 WeakPolarHBondContact OE1-CB 3.29Å; E90-S92 PolarHBondContact OE1-N 2.56Å; E90-S92 PolarHBondContact OE1-OG 3.39Å
93L86.6Confident90.7Very high32 Ų3249 Ų4917%0.16828%0.284CS..THydrogen-bonded Turntrans-130.522175.5-68.3178.2000112.3N91 V240 R242 D288 F290N91-L93 PolarHBondContact O-N 3.27Å; L93-V240 HydrophobicContact CD1-CG1 4.2Å; L93-V240 HydrophobicContact CD2-CG1 4.4Å; L93-R242 HydrophobicContact CD2-CG 4.42Å; L93-D288 HydrophobicContact CD1-CB 4.25Å; L93-D288 WeakPolarHBondContact CD1-OD1 3.41Å; L93-F290 HydrophobicContact CB-CE1 4.01Å; L93-F290 HydrophobicContact CB-CZ 4.46Å; L93-F290 HydrophobicContact CD1-CE1 4.34Å
94N90.1Very high92.2Very high77 Ų7740 Ų4041%0.41224%0.244SC..THydrogen-bonded Turntrans44.670.5-175.5-66.8-9.9000112N91 L96 Q97N91-N94 PolarHBondContact O-N 2.85Å; N91-N94 PolarHBondContact O-OD1 2.91Å; N91-N94 VanDerWaalsContact O-OD1 3.13Å; N94-L96 PolarHBondContact O-N 3.43Å; N94-Q97 PolarHBondContact O-NE2 2.8Å
95W95.1Very high93.6Very high1 Ų137.9 Ų37.90%0.00422%0.222CC..SBendtrans-55.2-19.6-178.7-83.29.8000114.2T89 E90 L159 W163 F166 K168 K287 F290T89-W95 HydrophobicContact CG2-CE3 3.98Å; E90-W95 HydrophobicContact CB-CD2 3.81Å; E90-W95 HydrophobicContact CB-CE3 4.1Å; E90-W95 HydrophobicContact CB-CG 4.41Å; E90-W95 HydrophobicContact CB-CH2 4.13Å; E90-W95 HydrophobicContact CB-CZ2 3.86Å; E90-W95 HydrophobicContact CB-CZ3 4.23Å; E90-W95 VanDerWaalsContact N-CE3 3.27Å; E90-W95 VanDerWaalsContact O-CB 3.28Å; E90-W95 WeakPolarHBondContact O-CB 3.49Å; W95-L159 HydrophobicContact CH2-CD2 4.31Å; W95-L159 HydrophobicContact CZ2-CD2 4.41Å; W95-W163 HydrophobicContact CZ3-CB 4.17Å; W95-F166 HydrophobicContact CB-CE1 4.11Å; W95-F166 AromaticContact CD2-CD1 3.83Å; W95-F166 HydrophobicContact CD2-CD1 3.83Å; W95-F166 HydrophobicContact CD2-CE1 4.09Å; W95-F166 HydrophobicContact CE3-CB 4.2Å; W95-F166 AromaticContact CE3-CD1 3.27Å; W95-F166 HydrophobicContact CE3-CD1 3.27Å; W95-F166 AromaticContact CE3-CE1 3.77Å; W95-F166 HydrophobicContact CE3-CE1 3.77Å; W95-F166 AromaticContact CE3-CG 3.85Å; W95-F166 HydrophobicContact CE3-CG 3.85Å; W95-F166 HydrophobicContact CG-CD1 4.49Å; W95-F166 HydrophobicContact CG-CE1 4.3Å; W95-F166 HydrophobicContact CH2-CB 4.03Å; W95-F166 HydrophobicContact CH2-CD1 4.16Å; W95-F166 HydrophobicContact CH2-CG 4.49Å; W95-F166 HydrophobicContact CZ3-CB 3.54Å; W95-F166 AromaticContact CZ3-CD1 3.5Å; W95-F166 HydrophobicContact CZ3-CD1 3.5Å; W95-F166 HydrophobicContact CZ3-CE1 4.43Å; W95-F166 AromaticContact CZ3-CG 3.72Å; W95-F166 HydrophobicContact CZ3-CG 3.72Å; W95-K168 WeakPolarHBondContact O-CE 3.41Å; W95-K168 PolarHBondContact O-NZ 3.27Å; W95-K287 PolarHBondContact NE1-O 3.26Å; W95-F290 HydrophobicContact CB-CD2 4.29Å; W95-F290 HydrophobicContact CB-CE2 4.32Å; W95-F290 AromaticContact CD1-CD1 3.21Å; W95-F290 AromaticContact CD1-CD2 3.92Å; W95-F290 AromaticContact CD1-CE1 3.36Å; W95-F290 AromaticContact CD1-CG 3.5Å; W95-F290 AromaticContact CD1-CZ 3.77Å; W95-F290 HydrophobicContact CD2-CB 4.39Å; W95-F290 HydrophobicContact CD2-CG 4.38Å; W95-F290 HydrophobicContact CG-CB 4.45Å; W95-F290 HydrophobicContact CG-CD1 4.11Å; W95-F290 HydrophobicContact CG-CD2 4.11Å; W95-F290 HydrophobicContact CG-CE1 4.38Å; W95-F290 HydrophobicContact CG-CE2 4.38Å; W95-F290 AromaticContact CG-CG 3.96Å; W95-F290 HydrophobicContact CG-CG 3.96Å; W95-F290 HydrophobicContact CG-CZ 4.48Å; W95-F290 HydrophobicContact CZ2-CB 4.44Å; W95-F290 AromaticContact NE1-CD1 3.21Å; W95-F290 AromaticContact NE1-CE1 3.76Å; W95-F290 AromaticContact NE1-CG 3.62Å
96L96.3Very high94.4Very high6 Ų637.4 Ų37.43%0.03121%0.214CC..SBendtrans-127.1135.9174-60.9170.3000108.1P75 I77 T89 N94 P99 F101 F127 F166P75-L96 HydrophobicContact CB-CB 4.04Å; P75-L96 HydrophobicContact CB-CD1 4.23Å; P75-L96 HydrophobicContact CG-CB 3.94Å; I77-L96 HydrophobicContact CD1-CD1 4.25Å; I77-L96 HydrophobicContact CD1-CD2 4.13Å; I77-L96 HydrophobicContact CG1-CD1 4.13Å; T89-L96 HydrophobicContact CG2-CD1 4.16Å; N94-L96 PolarHBondContact O-N 3.43Å; L96-P99 HydrophobicContact CB-CG 3.94Å; L96-P99 HydrophobicContact CD1-CG 4.43Å; L96-F101 HydrophobicContact CD1-CZ 4.15Å; L96-F127 HydrophobicContact CD2-CE1 4.19Å; L96-F127 HydrophobicContact CD2-CE2 3.83Å; L96-F127 HydrophobicContact CD2-CZ 3.5Å; L96-F166 HydrophobicContact CD2-CZ 4.13Å
97Q94.4Very high94.5Very high31 Ų3135.8 Ų35.815%0.14520%0.199CC..SBendtrans-117.980.6-172.1-64-80-3000110.7N94 E129 A130 K132N94-Q97 PolarHBondContact O-NE2 2.8Å; Q97-E129 HydrophobicContact CB-CB 4.36Å; Q97-E129 PolarHBondContact N-OE2 2.89Å; Q97-E129 WeakPolarHBondContact O-CB 3.32Å; Q97-A130 HydrophobicContact CB-CB 4.19Å; Q97-A130 WeakPolarHBondContact CB-O 3.46Å; Q97-A130 PolarHBondContact O-N 3.17Å; Q97-K132 HydrophobicContact CG-CG 4.08Å; Q97-K132 VanDerWaalsContact OE1-CG 3.27Å
98D93.8Very high94.3Very high118 Ų11839.1 Ų39.163%0.63122%0.215SC*.SBendtrans51.757.4-172.8-53-37.3000113.5
99P96.6Very high94Very high16 Ų1634.4 Ų34.410%0.10419%0.194CC..  trans-71.6132.8-175.932.9-39.1000113.4P75 L96 F101 F127 S128 E129P75-P99 HydrophobicContact CB-CG 3.43Å; P75-P99 VanDerWaalsContact CB-CG 3.43Å; P75-P99 HydrophobicContact CG-CG 4.29Å; L96-P99 HydrophobicContact CB-CG 3.94Å; L96-P99 HydrophobicContact CD1-CG 4.43Å; P99-F101 HydrophobicContact CB-CE2 4.1Å; P99-F101 HydrophobicContact CB-CZ 4.15Å; P99-F101 HydrophobicContact CG-CD2 4.46Å; P99-F101 HydrophobicContact CG-CE2 3.71Å; P99-F101 HydrophobicContact CG-CZ 3.89Å; P99-F127 HydrophobicContact CB-CB 4.29Å; P99-F127 HydrophobicContact CB-CD2 3.64Å; P99-F127 HydrophobicContact CB-CE2 4.2Å; P99-F127 HydrophobicContact CB-CG 4.17Å; P99-S128 CarbonylContact C-O 3.6Å; P99-S128 VanDerWaalsContact CA-O 3.23Å; P99-S128 WeakPolarHBondContact CA-O 3.4Å; P99-E129 HydrophobicContact CB-CB 4.49Å
100A96.9Very high93.5Very high35 Ų3535 Ų3529%0.28920%0.199SC..EExtended strand (participates in β ladder)trans-96.5104.1160.200000109.4K52 F127 S128K52-A100 HydrophobicContact CB-CB 4.19Å; K52-A100 HydrophobicContact CG-CB 4.29Å; A100-F127 WeakPolarHBondContact O-CA 3.32Å; A100-F127 VanDerWaalsContact O-CB 3.28Å; A100-F127 WeakPolarHBondContact O-CB 3Å; A100-S128 PolarHBondContact N-O 3.15Å; A100-S128 PolarHBondContact O-N 2.8Å; A100-S128 VanDerWaalsContact O-N 3.08Å
101F98Very high93.2Very high6 Ų635.2 Ų35.23%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-72.5132178.8-64.7-82000112K52 T54 G65 I77 L96 P99 F127K52-F101 WeakPolarHBondContact CB-O 3.49Å; T54-F101 HydrophobicContact CG2-CB 4.02Å; T54-F101 HydrophobicContact CG2-CD1 4.13Å; T54-F101 HydrophobicContact CG2-CG 4.34Å; G65-F101 VanDerWaalsContact C-CD2 3.48Å; G65-F101 VanDerWaalsContact C-CE2 3.44Å; G65-F101 WeakPolarHBondContact O-CD2 3.38Å; I77-F101 HydrophobicContact CD1-CE1 4.02Å; I77-F101 HydrophobicContact CD1-CZ 4.44Å; I77-F101 HydrophobicContact CG1-CE1 3.8Å; I77-F101 HydrophobicContact CG1-CZ 3.91Å; L96-F101 HydrophobicContact CD1-CZ 4.15Å; P99-F101 HydrophobicContact CB-CE2 4.1Å; P99-F101 HydrophobicContact CB-CZ 4.15Å; P99-F101 HydrophobicContact CG-CD2 4.46Å; P99-F101 HydrophobicContact CG-CE2 3.71Å; P99-F101 HydrophobicContact CG-CZ 3.89Å; F101-F127 HydrophobicContact CD1-CB 3.92Å; F101-F127 HydrophobicContact CD1-CD1 4.13Å; F101-F127 HydrophobicContact CD1-CG 4.28Å; F101-F127 HydrophobicContact CE1-CB 4.42Å; F101-F127 HydrophobicContact CE1-CD1 4.03Å; F101-F127 HydrophobicContact CE1-CG 4.33Å; F101-F127 HydrophobicContact CG-CB 4.37Å
102V97.3Very high92.9Very high38 Ų3835.9 Ų35.923%0.2321%0.209CC..EExtended strand (participates in β ladder)trans-110.4-30.7177.1-56.70000113F126 I185 Q186V102-F126 HydrophobicContact CG2-CB 3.79Å; V102-F126 WeakPolarHBondContact CG2-O 3.42Å; V102-F126 PolarHBondContact N-O 2.88Å; V102-I185 HydrophobicContact CG1-CG2 4.12Å; V102-I185 HydrophobicContact CG2-CD1 3.86Å; V102-I185 HydrophobicContact CG2-CG1 4.03Å; V102-I185 HydrophobicContact CG2-CG2 4.04Å; V102-Q186 WeakPolarHBondContact CG1-O 3.29Å
103G97.1Very high92.6Very high9 Ų941.7 Ų41.79%0.09323%0.226CC..EExtended strand (participates in β ladder)trans-171.3169.3-177.500000114T54 F126T54-G103 WeakPolarHBondContact OG1-CA 3.5Å; G103-F126 PolarHBondContact N-O 2.97Å; G103-F126 WeakPolarHBondContact O-CD2 3.5Å; G103-F126 PolarHBondContact O-N 2.9Å
104S98.2Very high91.9Very high25 Ų2544.1 Ų44.118%0.17526%0.258CS..EExtended strand (participates in β ladder)trans-148.4155.3173.1510000110.7T54 Y124T54-S104 PolarHBondContact OG1-N 3.03Å; T54-S104 VanDerWaalsContact OG1-N 3.13Å; T54-S104 PolarHBondContact OG1-OG 2.89Å; S104-Y124 CarbonylContact C-O 3.57Å; S104-Y124 WeakPolarHBondContact CA-O 3.33Å; S104-Y124 VanDerWaalsContact CB-O 3.25Å; S104-Y124 WeakPolarHBondContact CB-O 3.38Å
105A97.6Very high91.6Very high12 Ų1242 Ų4210%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-147144.6-175.200000112.1I123 Y124 F126 V190A105-I123 WeakPolarHBondContact O-CA 3.23Å; A105-Y124 PolarHBondContact N-O 3.49Å; A105-Y124 PolarHBondContact O-N 2.03Å; A105-F126 HydrophobicContact CB-CE2 4.09Å; A105-V190 HydrophobicContact CB-CB 4.07Å; A105-V190 HydrophobicContact CB-CG1 4.32Å; A105-V190 HydrophobicContact CB-CG2 3.64Å
106Y96.3Very high90.9Very high52 Ų5249.9 Ų49.920%0.20429%0.288CS..EExtended strand (participates in β ladder)trans-102.3120.3174.8175.2-161.9000108.2A58 D59 Q108 D121 I123 K150A58-Y106 HydrophobicContact CB-CD1 3.6Å; A58-Y106 HydrophobicContact CB-CD2 4.38Å; A58-Y106 HydrophobicContact CB-CE1 3.71Å; A58-Y106 HydrophobicContact CB-CE2 4.48Å; A58-Y106 HydrophobicContact CB-CG 3.96Å; D59-Y106 PolarHBondContact OD1-OH 2.99Å; D59-Y106 PolarHBondContact OD2-OH 3.43Å; Y106-Q108 HydrophobicContact CD2-CG 4.21Å; Y106-Q108 HydrophobicContact CE1-CG 4.24Å; Y106-Q108 HydrophobicContact CE2-CG 3.74Å; Y106-Q108 PolarHBondContact OH-NE2 3Å; Y106-Q108 VanDerWaalsContact OH-NE2 3.16Å; Y106-D121 HydrophobicContact CE2-CB 4.12Å; Y106-D121 PolarHBondContact OH-OD2 3.36Å; Y106-I123 HydrophobicContact CD2-CD1 3.53Å; Y106-I123 HydrophobicContact CE2-CD1 4.35Å; Y106-I123 HydrophobicContact CG-CD1 3.7Å; Y106-K150 HydrophobicContact CE2-CD 3.99Å; Y106-K150 WeakPolarHBondContact OH-CD 3.37Å; Y106-K150 PolarHBondContact OH-NZ 3.31Å; Y106-K150 VanDerWaalsContact OH-NZ 3.13Å
107I95.1Very high90.2Very high4 Ų452.5 Ų52.52%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-114.4120.8176.7-54.8-175.6000108.4E109 K122 Y124 V190 W198 T201 F203 M226I107-E109 VanDerWaalsContact C-N 3.34Å; I107-E109 HydrophobicContact CB-CG 4.48Å; I107-E109 HydrophobicContact CG2-CG 3.79Å; I107-E109 PolarHBondContact O-N 3.43Å; I107-E109 VanDerWaalsContact O-N 3.15Å; I107-K122 PolarHBondContact N-O 3.34Å; I107-K122 PolarHBondContact O-N 2.97Å; I107-K122 VanDerWaalsContact O-N 3.1Å; I107-Y124 HydrophobicContact CB-CD2 4.37Å; I107-Y124 HydrophobicContact CB-CE2 4.31Å; I107-Y124 HydrophobicContact CD1-CD2 3.76Å; I107-Y124 HydrophobicContact CD1-CE2 3.86Å; I107-Y124 HydrophobicContact CD1-CG 4.47Å; I107-Y124 HydrophobicContact CG1-CD2 3.98Å; I107-Y124 HydrophobicContact CG1-CE2 4.27Å; I107-V190 HydrophobicContact CD1-CG1 4.33Å; I107-W198 HydrophobicContact CG2-CB 3.96Å; I107-T201 HydrophobicContact CD1-CG2 4.18Å; I107-F203 HydrophobicContact CD1-CE1 3.9Å; I107-F203 HydrophobicContact CD1-CZ 3.61Å; I107-M226 HydrophobicContact CD1-CE 4.5Å; I107-M226 HydrophobicContact CG2-CE 4.48Å
108Q92.2Very high89.6Confident70 Ų7051.8 Ų51.833%0.32731%0.306SS..  trans-88.870-176.2-57.8-160.9-80.400111Y106 S110 L111 D121Y106-Q108 HydrophobicContact CD2-CG 4.21Å; Y106-Q108 HydrophobicContact CE1-CG 4.24Å; Y106-Q108 HydrophobicContact CE2-CG 3.74Å; Y106-Q108 PolarHBondContact OH-NE2 3Å; Y106-Q108 VanDerWaalsContact OH-NE2 3.16Å; Q108-S110 PolarHBondContact O-N 3.36Å; Q108-L111 HydrophobicContact CB-CD1 3.72Å; Q108-L111 HydrophobicContact CB-CG 3.93Å; Q108-L111 WeakPolarHBondContact O-CB 3.34Å; Q108-L111 PolarHBondContact O-N 2.85Å; Q108-D121 VanDerWaalsContact C-OD1 3.3Å; Q108-D121 VanDerWaalsContact CA-OD1 3.24Å; Q108-D121 WeakPolarHBondContact CA-OD1 3.42Å
109E89.5Confident88.8Confident3 Ų348.7 Ų48.71%0.01429%0.289CS..THydrogen-bonded Turntrans-64.3-21-177.7-59.7179.2-124.100112.5I107 L111 N115 D120 D121 K122 W198 M226I107-E109 VanDerWaalsContact C-N 3.34Å; I107-E109 HydrophobicContact CB-CG 4.48Å; I107-E109 HydrophobicContact CG2-CG 3.79Å; I107-E109 PolarHBondContact O-N 3.43Å; I107-E109 VanDerWaalsContact O-N 3.15Å; E109-L111 PolarHBondContact O-N 2.04Å; E109-L111 VanDerWaalsContact O-N 3.1Å; E109-N115 PolarHBondContact O-ND2 3.11Å; E109-D120 HydrophobicContact CB-CB 4.45Å; E109-D121 PolarHBondContact N-OD1 2.63Å; E109-K122 WeakPolarHBondContact OE1-CD 3.35Å; E109-K122 IonicContact OE1-NZ 2.7Å; E109-K122 PolarHBondContact OE1-NZ 2.87Å; E109-K122 IonicContact OE2-NZ 3.82Å; E109-K122 PolarHBondContact OE2-NZ 3.44Å; E109-W198 HydrophobicContact CB-CD2 4.03Å; E109-W198 HydrophobicContact CB-CE3 4.42Å; E109-W198 HydrophobicContact CB-CH2 4.18Å; E109-W198 HydrophobicContact CB-CZ2 3.75Å; E109-W198 HydrophobicContact CG-CD2 3.75Å; E109-W198 HydrophobicContact CG-CE3 3.74Å; E109-W198 HydrophobicContact CG-CG 4.29Å; E109-W198 HydrophobicContact CG-CH2 4.08Å; E109-W198 HydrophobicContact CG-CZ2 4.09Å; E109-W198 HydrophobicContact CG-CZ3 3.93Å; E109-W198 PolarHBondContact O-NE1 3.07Å; E109-W198 WeakPolarHBondContact OE2-CH2 3.3Å; E109-W198 WeakPolarHBondContact OE2-CZ3 3.24Å; E109-M226 HydrophobicContact CG-CE 4.21Å; E109-M226 WeakPolarHBondContact OE1-CE 3.35Å
110S86.3Confident88.2Confident24 Ų2448.6 Ų48.617%0.16829%0.287CS..THydrogen-bonded Turntrans-68.7-3.2175.467.60000114.8Q108 P112 N115 G118 D120 D121Q108-S110 PolarHBondContact O-N 3.36Å; S110-P112 CarbonylContact O-C 3.53Å; S110-N115 VanDerWaalsContact C-ND2 3.32Å; S110-N115 WeakPolarHBondContact CA-ND2 3.46Å; S110-N115 PolarHBondContact O-ND2 2.88Å; S110-G118 WeakPolarHBondContact CB-O 3.49Å; S110-D120 VanDerWaalsContact CA-OD1 3.3Å; S110-D120 WeakPolarHBondContact CA-OD1 3.34Å; S110-D120 PolarHBondContact N-OD1 3.28Å; S110-D121 WeakPolarHBondContact CB-OD1 3.49Å; S110-D121 PolarHBondContact N-OD1 2.98Å; S110-D121 VanDerWaalsContact OG-CG 3.29Å; S110-D121 PolarHBondContact OG-OD1 2.88Å; S110-D121 PolarHBondContact OG-OD2 3.15Å
111L85.6Confident88Confident30 Ų3047 Ų4716%0.15727%0.274CS..THydrogen-bonded Turntrans-86.4150.2176.1-63.4-178.9000112.3Q108 E109 K113 P195Q108-L111 HydrophobicContact CB-CD1 3.72Å; Q108-L111 HydrophobicContact CB-CG 3.93Å; Q108-L111 WeakPolarHBondContact O-CB 3.34Å; Q108-L111 PolarHBondContact O-N 2.85Å; E109-L111 PolarHBondContact O-N 2.04Å; E109-L111 VanDerWaalsContact O-N 3.1Å; L111-K113 HydrophobicContact CD2-CG 3.88Å; L111-P195 HydrophobicContact CD1-CB 3.61Å; L111-P195 WeakPolarHBondContact CD1-O 3.42Å
112P83.4Confident87.9Confident92 Ų9247.2 Ų47.260%0.59728%0.275SS*.THydrogen-bonded Turncis-66.5147.4-12.530.5-35.7000111.6S110 G114 N115S110-P112 CarbonylContact O-C 3.53Å; P112-G114 PolarHBondContact O-N 3.13Å; P112-N115 WeakPolarHBondContact O-CB 3.06Å; P112-N115 PolarHBondContact O-N 2.91Å
113K78.1Confident88Confident195 Ų19545.4 Ų45.485%0.84826%0.264SS*.THydrogen-bonded Turntrans-54.7128.9-176.2-67.4-173.5177.7-177.50111.2L111L111-K113 HydrophobicContact CD2-CG 3.88Å
114G72.9Confident88Confident82 Ų8245 Ų4585%0.84526%0.26SS*.THydrogen-bonded Turntrans90.715.6-171.800000114.1P112P112-G114 PolarHBondContact O-N 3.13Å
115N82.8Confident88Confident33 Ų3343.8 Ų43.818%0.17625%0.251CS..  trans-57.7157.6167.586.626.6000111E109 S110 P112 V117 G118E109-N115 PolarHBondContact O-ND2 3.11Å; S110-N115 VanDerWaalsContact C-ND2 3.32Å; S110-N115 WeakPolarHBondContact CA-ND2 3.46Å; S110-N115 PolarHBondContact O-ND2 2.88Å; P112-N115 WeakPolarHBondContact O-CB 3.06Å; P112-N115 PolarHBondContact O-N 2.91Å; N115-V117 PolarHBondContact O-N 2.98Å; N115-V117 WeakPolarHBondContact OD1-CA 3.07Å; N115-V117 WeakPolarHBondContact OD1-CB 3.4Å; N115-V117 PolarHBondContact OD1-N 3.12Å; N115-G118 PolarHBondContact OD1-N 3.25Å
116L80.7Confident88.1Confident166 Ų16643.2 Ų43.287%0.86925%0.247SC*.SBendtrans-67.5-20.4-176.1-63174.9000113.3N265L116-N265 PolarHBondContact O-ND2 3.48Å
117V81.6Confident88.2Confident61 Ų6140.8 Ų40.837%0.3724%0.237SC..SBendtrans-83.3-40.1-173.4-172.30000111.8N115 D120 T264 N265N115-V117 PolarHBondContact O-N 2.98Å; N115-V117 WeakPolarHBondContact OD1-CA 3.07Å; N115-V117 WeakPolarHBondContact OD1-CB 3.4Å; N115-V117 PolarHBondContact OD1-N 3.12Å; V117-D120 HydrophobicContact CG1-CB 4.21Å; V117-D120 VanDerWaalsContact CG1-OD2 3.31Å; V117-D120 WeakPolarHBondContact CG1-OD2 3.33Å; V117-T264 HydrophobicContact CG1-CG2 3.62Å; V117-T264 CarbonylContact O-C 3.59Å; V117-T264 VanDerWaalsContact O-CA 3.27Å; V117-T264 WeakPolarHBondContact O-CA 3.45Å; V117-T264 WeakPolarHBondContact O-CB 3.48Å; V117-N265 PolarHBondContact O-N 2.78Å
118G82.1Confident88.4Confident17 Ų1741.2 Ų41.218%0.17524%0.24CC..BIsolated β-bridgetrans104-122.4174.600000113.8S110 N115 N265S110-G118 WeakPolarHBondContact CB-O 3.49Å; N115-G118 PolarHBondContact OD1-N 3.25Å; G118-N265 WeakPolarHBondContact CA-ND2 3.4Å; G118-N265 WeakPolarHBondContact CA-OD1 3.47Å; G118-N265 PolarHBondContact N-ND2 2.95Å
119D77.4Confident88.5Confident53 Ų5338 Ų3828%0.28323%0.226SC..  trans-10292.5179.9-177.819.8000109.8
120D82.8Confident88.7Confident13 Ų1338.8 Ų38.87%0.0723%0.232CC..  trans-120.618.4175.758.7-17.4000112.4E109 S110 V117 K122 C262E109-D120 HydrophobicContact CB-CB 4.45Å; S110-D120 VanDerWaalsContact CA-OD1 3.3Å; S110-D120 WeakPolarHBondContact CA-OD1 3.34Å; S110-D120 PolarHBondContact N-OD1 3.28Å; V117-D120 HydrophobicContact CG1-CB 4.21Å; V117-D120 VanDerWaalsContact CG1-OD2 3.31Å; V117-D120 WeakPolarHBondContact CG1-OD2 3.33Å; D120-K122 WeakPolarHBondContact O-CG 3.09Å; D120-K122 PolarHBondContact O-N 2.84Å; D120-K122 PolarHBondContact O-NZ 2.8Å; D120-C262 HydrophobicContact CB-CB 4.38Å
121D93.7Very high89Confident2 Ų237.9 Ų37.91%0.01123%0.227CC..  trans-55.7133.2172.9-838.3000111.5Y106 Q108 E109 S110 K150Y106-D121 HydrophobicContact CE2-CB 4.12Å; Y106-D121 PolarHBondContact OH-OD2 3.36Å; Q108-D121 VanDerWaalsContact C-OD1 3.3Å; Q108-D121 VanDerWaalsContact CA-OD1 3.24Å; Q108-D121 WeakPolarHBondContact CA-OD1 3.42Å; E109-D121 PolarHBondContact N-OD1 2.63Å; S110-D121 WeakPolarHBondContact CB-OD1 3.49Å; S110-D121 PolarHBondContact N-OD1 2.98Å; S110-D121 VanDerWaalsContact OG-CG 3.29Å; S110-D121 PolarHBondContact OG-OD1 2.88Å; S110-D121 PolarHBondContact OG-OD2 3.15Å; D121-K150 HydrophobicContact CB-CB 3.82Å; D121-K150 HydrophobicContact CB-CD 4.1Å; D121-K150 WeakPolarHBondContact O-CB 3.5Å; D121-K150 PolarHBondContact O-N 3.28Å; D121-K150 WeakPolarHBondContact OD2-CE 3.43Å; D121-K150 IonicContact OD2-NZ 2.6Å; D121-K150 PolarHBondContact OD2-NZ 2.7Å
122K95.6Very high89.1Confident10 Ų1041 Ų414%0.04324%0.239CC..EExtended strand (participates in β ladder)trans-132144.6-175.3-73.4176.4-142.866.80113I107 E109 D120 Y124 R147 V148 C262I107-K122 PolarHBondContact N-O 3.34Å; I107-K122 PolarHBondContact O-N 2.97Å; I107-K122 VanDerWaalsContact O-N 3.1Å; E109-K122 WeakPolarHBondContact OE1-CD 3.35Å; E109-K122 IonicContact OE1-NZ 2.7Å; E109-K122 PolarHBondContact OE1-NZ 2.87Å; E109-K122 IonicContact OE2-NZ 3.82Å; E109-K122 PolarHBondContact OE2-NZ 3.44Å; D120-K122 WeakPolarHBondContact O-CG 3.09Å; D120-K122 PolarHBondContact O-N 2.84Å; D120-K122 PolarHBondContact O-NZ 2.8Å; K122-Y124 HydrophobicContact CB-CD2 4.1Å; K122-Y124 HydrophobicContact CB-CE2 3.59Å; K122-Y124 HydrophobicContact CD-CE2 4.34Å; K122-R147 HydrophobicContact CD-CG 4.4Å; K122-V148 VanDerWaalsContact CA-O 3.3Å; K122-V148 WeakPolarHBondContact CA-O 3.4Å; K122-C262 VanDerWaalsContact CE-SG 3.5Å
123I97.9Very high89.2Confident0 Ų037.8 Ų37.80%022%0.216CC..EExtended strand (participates in β ladder)trans-102.8123.3168.5-50.6-55.6000108.2I56 A58 Y63 A105 Y106 F125 R147 V148I56-I123 HydrophobicContact CG2-CG2 3.79Å; A58-I123 HydrophobicContact CB-CD1 3.69Å; Y63-I123 HydrophobicContact CD1-CB 3.95Å; Y63-I123 HydrophobicContact CD1-CG1 3.61Å; Y63-I123 HydrophobicContact CD1-CG2 4.06Å; Y63-I123 HydrophobicContact CD2-CG1 4.14Å; Y63-I123 HydrophobicContact CE1-CB 4.19Å; Y63-I123 HydrophobicContact CE1-CG1 3.52Å; Y63-I123 HydrophobicContact CE2-CG1 4.11Å; Y63-I123 HydrophobicContact CG-CB 4.42Å; Y63-I123 HydrophobicContact CG-CG1 3.92Å; Y63-I123 HydrophobicContact CG-CG2 4.16Å; A105-I123 WeakPolarHBondContact O-CA 3.23Å; Y106-I123 HydrophobicContact CD2-CD1 3.53Å; Y106-I123 HydrophobicContact CE2-CD1 4.35Å; Y106-I123 HydrophobicContact CG-CD1 3.7Å; I123-F125 HydrophobicContact CB-CE2 4.3Å; I123-F125 HydrophobicContact CG2-CD2 4.48Å; I123-F125 HydrophobicContact CG2-CE2 3.77Å; I123-F125 HydrophobicContact CG2-CZ 3.81Å; I123-R147 CarbonylContact O-C 3.53Å; I123-R147 WeakPolarHBondContact O-CA 3.48Å; I123-V148 HydrophobicContact CB-CG2 4.01Å; I123-V148 PolarHBondContact N-O 3.14Å; I123-V148 PolarHBondContact O-N 2.8Å
124Y98.6Very high89.4Confident0 Ų032.9 Ų32.90%020%0.195CC..EExtended strand (participates in β ladder)trans-102.2142.9-179.9-77.2-94.3000110.5S104 A105 I107 K122 I145 A146 R147 M226 V229 F233S104-Y124 CarbonylContact C-O 3.57Å; S104-Y124 WeakPolarHBondContact CA-O 3.33Å; S104-Y124 VanDerWaalsContact CB-O 3.25Å; S104-Y124 WeakPolarHBondContact CB-O 3.38Å; A105-Y124 PolarHBondContact N-O 3.49Å; A105-Y124 PolarHBondContact O-N 2.03Å; I107-Y124 HydrophobicContact CB-CD2 4.37Å; I107-Y124 HydrophobicContact CB-CE2 4.31Å; I107-Y124 HydrophobicContact CD1-CD2 3.76Å; I107-Y124 HydrophobicContact CD1-CE2 3.86Å; I107-Y124 HydrophobicContact CD1-CG 4.47Å; I107-Y124 HydrophobicContact CG1-CD2 3.98Å; I107-Y124 HydrophobicContact CG1-CE2 4.27Å; K122-Y124 HydrophobicContact CB-CD2 4.1Å; K122-Y124 HydrophobicContact CB-CE2 3.59Å; K122-Y124 HydrophobicContact CD-CE2 4.34Å; Y124-I145 HydrophobicContact CD1-CD1 3.66Å; Y124-I145 HydrophobicContact CD1-CG1 3.77Å; Y124-I145 HydrophobicContact CE1-CD1 3.97Å; Y124-I145 HydrophobicContact CE1-CG1 4.35Å; Y124-A146 CarbonylContact C-O 3.59Å; Y124-A146 VanDerWaalsContact CA-O 3.3Å; Y124-A146 WeakPolarHBondContact CA-O 3.11Å; Y124-R147 HydrophobicContact CD1-CB 3.89Å; Y124-R147 HydrophobicContact CE1-CB 3.76Å; Y124-R147 HydrophobicContact CG-CB 4.36Å; Y124-M226 HydrophobicContact CE2-CE 4.39Å; Y124-M226 WeakPolarHBondContact OH-CE 3.42Å; Y124-V229 HydrophobicContact CE1-CG1 3.82Å; Y124-F233 HydrophobicContact CE1-CE2 4.07Å
125F98.8Very high89.3Confident0 Ų036.5 Ų36.50%020%0.195CC..EExtended strand (participates in β ladder)trans-127.7139.2178.1-62.6-92.6000110.4T54 I77 I123 F127 I145 A146 V148T54-F125 HydrophobicContact CG2-CD1 4.02Å; I77-F125 HydrophobicContact CD1-CB 4.27Å; I77-F125 HydrophobicContact CD1-CD1 4.43Å; I77-F125 HydrophobicContact CD1-CD2 4.18Å; I77-F125 HydrophobicContact CD1-CG 4.05Å; I77-F125 HydrophobicContact CG1-CD1 4.36Å; I77-F125 HydrophobicContact CG1-CE1 4.5Å; I77-F125 HydrophobicContact CG1-CG 4.46Å; I77-F125 HydrophobicContact CG2-CD1 4.46Å; I77-F125 HydrophobicContact CG2-CD2 4.14Å; I77-F125 HydrophobicContact CG2-CE1 3.92Å; I77-F125 HydrophobicContact CG2-CE2 3.55Å; I77-F125 HydrophobicContact CG2-CZ 3.41Å; I77-F125 VanDerWaalsContact CG2-CZ 3.41Å; I123-F125 HydrophobicContact CB-CE2 4.3Å; I123-F125 HydrophobicContact CG2-CD2 4.48Å; I123-F125 HydrophobicContact CG2-CE2 3.77Å; I123-F125 HydrophobicContact CG2-CZ 3.81Å; F125-F127 HydrophobicContact CB-CD1 4.44Å; F125-I145 WeakPolarHBondContact O-CA 3.35Å; F125-A146 HydrophobicContact CB-CB 4.49Å; F125-A146 PolarHBondContact N-O 3.49Å; F125-A146 PolarHBondContact O-N 3.15Å; F125-V148 HydrophobicContact CE2-CG2 4.06Å
126F98.8Very high88.6Confident1 Ų140.2 Ų40.20%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-122.3127.7-178.7-48.8-76.7000109.7V102 G103 A105 I145 L171 I185 M188 V190 F203V102-F126 HydrophobicContact CG2-CB 3.79Å; V102-F126 WeakPolarHBondContact CG2-O 3.42Å; V102-F126 PolarHBondContact N-O 2.88Å; G103-F126 PolarHBondContact N-O 2.97Å; G103-F126 WeakPolarHBondContact O-CD2 3.5Å; G103-F126 PolarHBondContact O-N 2.9Å; A105-F126 HydrophobicContact CB-CE2 4.09Å; F126-I145 HydrophobicContact CD1-CB 4.26Å; F126-I145 HydrophobicContact CD1-CD1 4.44Å; F126-I145 HydrophobicContact CD1-CG1 4.02Å; F126-I145 HydrophobicContact CE1-CB 4.3Å; F126-I145 HydrophobicContact CE1-CD1 3.65Å; F126-I145 HydrophobicContact CE1-CG1 3.65Å; F126-I145 HydrophobicContact CZ-CD1 4.48Å; F126-L171 HydrophobicContact CD1-CD1 4.47Å; F126-I185 HydrophobicContact CB-CD1 4.25Å; F126-M188 HydrophobicContact CB-CB 4.06Å; F126-M188 HydrophobicContact CB-CG 4.41Å; F126-M188 HydrophobicContact CD1-CB 4.31Å; F126-M188 HydrophobicContact CD1-CE 4.34Å; F126-M188 HydrophobicContact CD1-CG 3.73Å; F126-M188 HydrophobicContact CD2-CB 3.89Å; F126-M188 HydrophobicContact CD2-CG 3.67Å; F126-M188 HydrophobicContact CE1-CG 3.8Å; F126-M188 HydrophobicContact CE2-CB 4.46Å; F126-M188 HydrophobicContact CE2-CG 3.79Å; F126-M188 HydrophobicContact CG-CB 3.82Å; F126-M188 HydrophobicContact CG-CG 3.65Å; F126-M188 HydrophobicContact CZ-CG 3.86Å; F126-V190 HydrophobicContact CE2-CG2 3.77Å; F126-V190 HydrophobicContact CZ-CG2 3.77Å; F126-F203 AromaticContact CE1-CD1 3.83Å; F126-F203 HydrophobicContact CE1-CD1 3.83Å; F126-F203 HydrophobicContact CE1-CE1 4.21Å; F126-F203 AromaticContact CZ-CD1 3.65Å; F126-F203 HydrophobicContact CZ-CD1 3.65Å; F126-F203 AromaticContact CZ-CE1 3.83Å; F126-F203 HydrophobicContact CZ-CE1 3.83Å
127F98.6Very high87.6Confident0 Ų042.2 Ų42.20%021%0.212CC..EExtended strand (participates in β ladder)trans-158.4161.1-176.856-86.5000111.4L96 P99 A100 F101 F125 E129 R144 A146 K168L96-F127 HydrophobicContact CD2-CE1 4.19Å; L96-F127 HydrophobicContact CD2-CE2 3.83Å; L96-F127 HydrophobicContact CD2-CZ 3.5Å; P99-F127 HydrophobicContact CB-CB 4.29Å; P99-F127 HydrophobicContact CB-CD2 3.64Å; P99-F127 HydrophobicContact CB-CE2 4.2Å; P99-F127 HydrophobicContact CB-CG 4.17Å; A100-F127 WeakPolarHBondContact O-CA 3.32Å; A100-F127 VanDerWaalsContact O-CB 3.28Å; A100-F127 WeakPolarHBondContact O-CB 3Å; F101-F127 HydrophobicContact CD1-CB 3.92Å; F101-F127 HydrophobicContact CD1-CD1 4.13Å; F101-F127 HydrophobicContact CD1-CG 4.28Å; F101-F127 HydrophobicContact CE1-CB 4.42Å; F101-F127 HydrophobicContact CE1-CD1 4.03Å; F101-F127 HydrophobicContact CE1-CG 4.33Å; F101-F127 HydrophobicContact CG-CB 4.37Å; F125-F127 HydrophobicContact CB-CD1 4.44Å; F127-E129 HydrophobicContact CD2-CB 4.06Å; F127-E129 HydrophobicContact CD2-CG 4.38Å; F127-E129 HydrophobicContact CE2-CB 4.1Å; F127-E129 HydrophobicContact CE2-CG 4.07Å; F127-R144 HydrophobicContact CD1-CB 4.31Å; F127-R144 HydrophobicContact CD2-CB 3.95Å; F127-R144 HydrophobicContact CD2-CG 4.12Å; F127-R144 HydrophobicContact CE1-CB 4.05Å; F127-R144 HydrophobicContact CE2-CB 3.68Å; F127-R144 HydrophobicContact CE2-CG 3.66Å; F127-R144 HydrophobicContact CG-CB 4.27Å; F127-R144 HydrophobicContact CZ-CB 3.72Å; F127-R144 HydrophobicContact CZ-CG 4.06Å; F127-R144 PolarHBondContact N-O 3.13Å; F127-R144 PolarHBondContact O-N 3.42Å; F127-A146 HydrophobicContact CE1-CB 3.76Å; F127-A146 HydrophobicContact CZ-CB 4.27Å; F127-K168 HydrophobicContact CZ-CD 4.32Å
128S97.9Very high87Confident13 Ų1344.2 Ų44.29%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-102.7142.7160.655.30000110P99 A100 V142P99-S128 CarbonylContact C-O 3.6Å; P99-S128 VanDerWaalsContact CA-O 3.23Å; P99-S128 WeakPolarHBondContact CA-O 3.4Å; A100-S128 PolarHBondContact N-O 3.15Å; A100-S128 PolarHBondContact O-N 2.8Å; A100-S128 VanDerWaalsContact O-N 3.08Å; S128-V142 CarbonylContact C-O 3.58Å; S128-V142 VanDerWaalsContact CA-O 3.3Å; S128-V142 WeakPolarHBondContact CA-O 3.36Å
129E96.1Very high86.9Confident3 Ų349.6 Ų49.61%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-139.8172.2177.468.8168-176.600110.9Q97 P99 F127 G131 V141 V142 R144 K168Q97-E129 HydrophobicContact CB-CB 4.36Å; Q97-E129 PolarHBondContact N-OE2 2.89Å; Q97-E129 WeakPolarHBondContact O-CB 3.32Å; P99-E129 HydrophobicContact CB-CB 4.49Å; F127-E129 HydrophobicContact CD2-CB 4.06Å; F127-E129 HydrophobicContact CD2-CG 4.38Å; F127-E129 HydrophobicContact CE2-CB 4.1Å; F127-E129 HydrophobicContact CE2-CG 4.07Å; E129-G131 PolarHBondContact O-N 3.37Å; E129-V141 CarbonylContact O-C 3.52Å; E129-V141 WeakPolarHBondContact O-CA 3.34Å; E129-V142 HydrophobicContact CG-CG2 4.01Å; E129-V142 PolarHBondContact N-O 3.22Å; E129-V142 PolarHBondContact O-N 2.92Å; E129-R144 HydrophobicContact CG-CG 3.85Å; E129-R144 IonicContact OE1-CZ 2.72Å; E129-R144 IonicContact OE1-NE 3.41Å; E129-R144 PolarHBondContact OE1-NE 3.07Å; E129-R144 IonicContact OE1-NH2 3.73Å; E129-R144 PolarHBondContact OE1-NH2 2.8Å; E129-K168 WeakPolarHBondContact OE1-CE 3.49Å; E129-K168 IonicContact OE1-NZ 3.52Å; E129-K168 PolarHBondContact OE1-NZ 3.26Å; E129-K168 IonicContact OE2-NZ 2.79Å; E129-K168 PolarHBondContact OE2-NZ 3.07Å
130A93.9Very high87.5Confident19 Ų1948 Ų4816%0.15724%0.237CC..EExtended strand (participates in β ladder)trans-71.3115.8169.600000111Q97 K132Q97-A130 HydrophobicContact CB-CB 4.19Å; Q97-A130 WeakPolarHBondContact CB-O 3.46Å; Q97-A130 PolarHBondContact O-N 3.17Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 2.93Å
131G91.9Very high87.9Confident5 Ų549.4 Ų49.45%0.05225%0.246CC..  trans-78.175-178.800000112.6E129 E133 F134 T140 V142E129-G131 PolarHBondContact O-N 3.37Å; G131-E133 VanDerWaalsContact C-OE2 3.26Å; G131-E133 VanDerWaalsContact CA-OE2 3.28Å; G131-E133 WeakPolarHBondContact CA-OE2 3.23Å; G131-E133 PolarHBondContact O-N 2.84Å; G131-F134 PolarHBondContact O-N 2.9Å; G131-T140 WeakPolarHBondContact CA-O 3.22Å; G131-T140 PolarHBondContact N-O 2.83Å; G131-V142 VanDerWaalsContact CA-CG2 3.48Å
132K87.4Confident88Confident97 Ų9749.4 Ų49.442%0.42225%0.246SC..THydrogen-bonded Turntrans-59.9-11.5178.2-60.4-58.5-176.8-177.90114.2Q97 A130 F134 W247Q97-K132 HydrophobicContact CG-CG 4.08Å; Q97-K132 VanDerWaalsContact OE1-CG 3.27Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 2.93Å; K132-F134 PolarHBondContact O-N 3.11Å; K132-W247 VanDerWaalsContact O-CD1 3.25Å
133E85.8Confident88.1Confident24 Ų2449 Ų4911%0.11225%0.245CC..THydrogen-bonded Turntrans-824.4172.782.6-81.3-159.900114.7G131 R144 W247 L291G131-E133 VanDerWaalsContact C-OE2 3.26Å; G131-E133 VanDerWaalsContact CA-OE2 3.28Å; G131-E133 WeakPolarHBondContact CA-OE2 3.23Å; G131-E133 PolarHBondContact O-N 2.84Å; E133-R144 VanDerWaalsContact CD-NH2 3.27Å; E133-R144 IonicContact OE1-CZ 2.64Å; E133-R144 VanDerWaalsContact OE1-CZ 3.24Å; E133-R144 IonicContact OE1-NH1 3.59Å; E133-R144 PolarHBondContact OE1-NH1 2.77Å; E133-R144 IonicContact OE1-NH2 2.98Å; E133-R144 PolarHBondContact OE1-NH2 2.85Å; E133-R144 IonicContact OE2-CZ 3.48Å; E133-R144 IonicContact OE2-NH2 2.7Å; E133-R144 PolarHBondContact OE2-NH2 2.78Å; E133-W247 HydrophobicContact CB-CB 3.65Å; E133-W247 HydrophobicContact CB-CD2 4.28Å; E133-W247 HydrophobicContact CB-CG 3.66Å; E133-L291 HydrophobicContact CB-CD2 4.15Å; E133-L291 HydrophobicContact CG-CD2 4.21Å
134F82.6Confident88.2Confident92 Ų9249 Ų4940%0.40425%0.245SC..  trans-118.8123.4172.7-64.3-85.3000110.5G131 K132 V142G131-F134 PolarHBondContact O-N 2.9Å; K132-F134 PolarHBondContact O-N 3.11Å; F134-V142 HydrophobicContact CD2-CG1 3.97Å; F134-V142 HydrophobicContact CE2-CG1 3.81Å
135D69.9Low88.2Confident158 Ų15849.1 Ų49.185%0.84525%0.245SC*.  trans-91.6112.1169.1-168.72.9000108.6
136F67.6Low88.2Confident111 Ų11149.1 Ų49.149%0.48725%0.245SC..  trans-153.7152.6-174.7-155.9-96.8000109.9D138F136-D138 HydrophobicContact CD1-CB 4.5Å; F136-D138 PolarHBondContact O-N 3.07Å; F136-D138 VanDerWaalsContact O-N 3.14Å
137F60.8Low88.1Confident207 Ų20749.7 Ų49.791%0.90825%0.248SC*.SBendtrans-59.6-27.8-175.1-60-76.4000114.4
138D69.3Low88.1Confident104 Ų10449.7 Ų49.756%0.55625%0.248SC*.SBendtrans-109.6144.1171.5-81.4-47.7000110.4F136 T140F136-D138 HydrophobicContact CD1-CB 4.5Å; F136-D138 PolarHBondContact O-N 3.07Å; F136-D138 VanDerWaalsContact O-N 3.14Å; D138-T140 PolarHBondContact O-N 3.19Å; D138-T140 PolarHBondContact O-OG1 3.08Å
139N80Confident88Confident129 Ų12949.3 Ų49.369%0.6925%0.245SC*.  trans-53105.3167.6-83.4-49.8000109.9V141N139-V141 PolarHBondContact O-N 2.6Å
140T88.8Confident87.9Confident20 Ų2050.6 Ų50.612%0.12325%0.25CS..  trans-82.1117.8-176-66.60000110.3G131 D138 V142G131-T140 WeakPolarHBondContact CA-O 3.22Å; G131-T140 PolarHBondContact N-O 2.83Å; D138-T140 PolarHBondContact O-N 3.19Å; D138-T140 PolarHBondContact O-OG1 3.08Å; T140-V142 HydrophobicContact CG2-CG1 4.25Å
141V93.1Very high87.8Confident42 Ų4251.4 Ų51.426%0.25526%0.26SS..EExtended strand (participates in β ladder)trans-76.6140.4174.2-179.20000109E129 N139 N183 I184E129-V141 CarbonylContact O-C 3.52Å; E129-V141 WeakPolarHBondContact O-CA 3.34Å; N139-V141 PolarHBondContact O-N 2.6Å; V141-N183 PolarHBondContact O-ND2 3.4Å; V141-I184 HydrophobicContact CB-CD1 4.5Å; V141-I184 HydrophobicContact CB-CG1 4.16Å; V141-I184 HydrophobicContact CG1-CD1 4.48Å; V141-I184 HydrophobicContact CG1-CG1 3.94Å
142V95.4Very high88Confident2 Ų251.2 Ų51.21%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-133137.1178.5-63.10000111.4S128 E129 G131 F134 T140 R144S128-V142 CarbonylContact C-O 3.58Å; S128-V142 VanDerWaalsContact CA-O 3.3Å; S128-V142 WeakPolarHBondContact CA-O 3.36Å; E129-V142 HydrophobicContact CG-CG2 4.01Å; E129-V142 PolarHBondContact N-O 3.22Å; E129-V142 PolarHBondContact O-N 2.92Å; G131-V142 VanDerWaalsContact CA-CG2 3.48Å; F134-V142 HydrophobicContact CD2-CG1 3.97Å; F134-V142 HydrophobicContact CE2-CG1 3.81Å; T140-V142 HydrophobicContact CG2-CG1 4.25Å; V142-R144 VanDerWaalsContact CG2-CZ 3.42Å
143S98.1Very high88.3Confident1 Ų149.7 Ų49.71%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-79.1138.7173-63.50000110.9L171 N183 I185S143-L171 PolarHBondContact O-N 2.9Å; S143-N183 PolarHBondContact N-O 2.84Å; S143-N183 VanDerWaalsContact N-O 3.15Å; S143-N183 PolarHBondContact OG-O 3.44Å; S143-I185 WeakPolarHBondContact OG-CB 3.32Å; S143-I185 PolarHBondContact OG-N 2.93Å
144R98.3Very high88.7Confident2 Ų248.6 Ų48.61%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-124.7147.6-177.7-62.9-60.9-161.4-149.3-7.5111.8F127 E129 E133 V142 A169F127-R144 HydrophobicContact CD1-CB 4.31Å; F127-R144 HydrophobicContact CD2-CB 3.95Å; F127-R144 HydrophobicContact CD2-CG 4.12Å; F127-R144 HydrophobicContact CE1-CB 4.05Å; F127-R144 HydrophobicContact CE2-CB 3.68Å; F127-R144 HydrophobicContact CE2-CG 3.66Å; F127-R144 HydrophobicContact CG-CB 4.27Å; F127-R144 HydrophobicContact CZ-CB 3.72Å; F127-R144 HydrophobicContact CZ-CG 4.06Å; F127-R144 PolarHBondContact N-O 3.13Å; F127-R144 PolarHBondContact O-N 3.42Å; E129-R144 HydrophobicContact CG-CG 3.85Å; E129-R144 IonicContact OE1-CZ 2.72Å; E129-R144 IonicContact OE1-NE 3.41Å; E129-R144 PolarHBondContact OE1-NE 3.07Å; E129-R144 IonicContact OE1-NH2 3.73Å; E129-R144 PolarHBondContact OE1-NH2 2.8Å; E133-R144 VanDerWaalsContact CD-NH2 3.27Å; E133-R144 IonicContact OE1-CZ 2.64Å; E133-R144 VanDerWaalsContact OE1-CZ 3.24Å; E133-R144 IonicContact OE1-NH1 3.59Å; E133-R144 PolarHBondContact OE1-NH1 2.77Å; E133-R144 IonicContact OE1-NH2 2.98Å; E133-R144 PolarHBondContact OE1-NH2 2.85Å; E133-R144 IonicContact OE2-CZ 3.48Å; E133-R144 IonicContact OE2-NH2 2.7Å; E133-R144 PolarHBondContact OE2-NH2 2.78Å; V142-R144 VanDerWaalsContact CG2-CZ 3.42Å; R144-A169 WeakPolarHBondContact CA-O 3.34Å; R144-A169 WeakPolarHBondContact CD-O 3.37Å
145I98.8Very high89.4Confident1 Ų144.4 Ų44.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-113.6127.3154.1-176.7173.5000106.9Y124 F125 F126 K168 A169 L171 F203 V229 F233 I296Y124-I145 HydrophobicContact CD1-CD1 3.66Å; Y124-I145 HydrophobicContact CD1-CG1 3.77Å; Y124-I145 HydrophobicContact CE1-CD1 3.97Å; Y124-I145 HydrophobicContact CE1-CG1 4.35Å; F125-I145 WeakPolarHBondContact O-CA 3.35Å; F126-I145 HydrophobicContact CD1-CB 4.26Å; F126-I145 HydrophobicContact CD1-CD1 4.44Å; F126-I145 HydrophobicContact CD1-CG1 4.02Å; F126-I145 HydrophobicContact CE1-CB 4.3Å; F126-I145 HydrophobicContact CE1-CD1 3.65Å; F126-I145 HydrophobicContact CE1-CG1 3.65Å; F126-I145 HydrophobicContact CZ-CD1 4.48Å; I145-K168 CarbonylContact O-C 3.56Å; I145-K168 WeakPolarHBondContact O-CA 3.47Å; I145-A169 HydrophobicContact CG2-CB 4.21Å; I145-A169 PolarHBondContact N-O 3.14Å; I145-A169 PolarHBondContact O-N 3.17Å; I145-L171 HydrophobicContact CB-CD1 4.11Å; I145-L171 HydrophobicContact CB-CD2 4.11Å; I145-L171 HydrophobicContact CB-CG 3.99Å; I145-L171 HydrophobicContact CG2-CD2 3.82Å; I145-L171 HydrophobicContact CG2-CG 3.96Å; I145-F203 HydrophobicContact CD1-CD1 4.47Å; I145-F203 HydrophobicContact CD1-CE1 4.29Å; I145-V229 HydrophobicContact CD1-CG1 3.78Å; I145-V229 HydrophobicContact CD1-CG2 4.05Å; I145-F233 HydrophobicContact CG2-CE2 4.37Å; I145-F233 HydrophobicContact CG2-CZ 4.29Å; I145-I296 HydrophobicContact CG2-CD1 3.41Å; I145-I296 VanDerWaalsContact CG2-CD1 3.41Å
146A98.6Very high90.6Very high0 Ų041.3 Ų41.30%021%0.212CC..EExtended strand (participates in β ladder)trans-118.8158.517100000110.3Y124 F125 F127 F166 L167 K168Y124-A146 CarbonylContact C-O 3.59Å; Y124-A146 VanDerWaalsContact CA-O 3.3Å; Y124-A146 WeakPolarHBondContact CA-O 3.11Å; F125-A146 HydrophobicContact CB-CB 4.49Å; F125-A146 PolarHBondContact N-O 3.49Å; F125-A146 PolarHBondContact O-N 3.15Å; F127-A146 HydrophobicContact CE1-CB 3.76Å; F127-A146 HydrophobicContact CZ-CB 4.27Å; A146-F166 HydrophobicContact CB-CE2 3.79Å; A146-F166 HydrophobicContact CB-CZ 4.27Å; A146-L167 CarbonylContact C-O 3.59Å; A146-L167 WeakPolarHBondContact CA-O 3.44Å; A146-L167 WeakPolarHBondContact CB-O 3.32Å; A146-K168 HydrophobicContact CB-CB 3.8Å
147R97.8Very high91.9Very high14 Ų1443.1 Ų43.15%0.05322%0.215CC..EExtended strand (participates in β ladder)trans-139.8152.7176.276.2-173.4-163.6173.8-3.5112K122 I123 Y124 F166 L167 F233K122-R147 HydrophobicContact CD-CG 4.4Å; I123-R147 CarbonylContact O-C 3.53Å; I123-R147 WeakPolarHBondContact O-CA 3.48Å; Y124-R147 HydrophobicContact CD1-CB 3.89Å; Y124-R147 HydrophobicContact CE1-CB 3.76Å; Y124-R147 HydrophobicContact CG-CB 4.36Å; R147-F166 WeakPolarHBondContact O-CA 3.48Å; R147-L167 PolarHBondContact N-O 2.91Å; R147-L167 PolarHBondContact O-N 2.9Å; R147-F233 HydrophobicContact CB-CZ 4.38Å; R147-F233 HydrophobicContact CG-CD1 4.38Å; R147-F233 HydrophobicContact CG-CD2 4.5Å; R147-F233 HydrophobicContact CG-CE1 4.15Å; R147-F233 HydrophobicContact CG-CE2 4.26Å; R147-F233 HydrophobicContact CG-CZ 4.07Å; R147-F233 VanDerWaalsContact CZ-CB 3.5Å
148V98Very high93.5Very high0 Ų034.3 Ų34.30%018%0.179CC..EExtended strand (participates in β ladder)trans-134.9153.2164.8-60.80000108.9Y63 K122 I123 F125 W163 F166Y63-V148 HydrophobicContact CD1-CG2 4.25Å; Y63-V148 HydrophobicContact CE1-CG2 4.08Å; K122-V148 VanDerWaalsContact CA-O 3.3Å; K122-V148 WeakPolarHBondContact CA-O 3.4Å; I123-V148 HydrophobicContact CB-CG2 4.01Å; I123-V148 PolarHBondContact N-O 3.14Å; I123-V148 PolarHBondContact O-N 2.8Å; F125-V148 HydrophobicContact CE2-CG2 4.06Å; V148-W163 HydrophobicContact CB-CD2 4.22Å; V148-W163 HydrophobicContact CB-CE3 3.78Å; V148-W163 HydrophobicContact CB-CH2 4.26Å; V148-W163 HydrophobicContact CB-CZ3 3.8Å; V148-W163 HydrophobicContact CG1-CD2 3.74Å; V148-W163 HydrophobicContact CG1-CE3 3.83Å; V148-W163 HydrophobicContact CG1-CG 4.08Å; V148-W163 HydrophobicContact CG1-CH2 4.5Å; V148-W163 HydrophobicContact CG1-CZ2 4.45Å; V148-W163 HydrophobicContact CG1-CZ3 4.22Å; V148-W163 HydrophobicContact CG2-CE3 4.21Å; V148-W163 HydrophobicContact CG2-CH2 3.76Å; V148-W163 HydrophobicContact CG2-CZ2 4.27Å; V148-W163 HydrophobicContact CG2-CZ3 3.74Å; V148-F166 HydrophobicContact CG1-CB 4.05Å; V148-F166 HydrophobicContact CG1-CD2 3.98Å
149C96.2Very high94.8Very high5 Ų530 Ų303%0.03416%0.155CC..EExtended strand (participates in β ladder)trans-81.8142.5174-570000110.6D152 T165 C262C149-D152 WeakPolarHBondContact O-CB 3.4Å; C149-D152 PolarHBondContact O-N 3.47Å; C149-T165 HydrophobicContact CB-CG2 3.84Å; C149-T165 PolarHBondContact N-OG1 3.25Å; C149-T165 VanDerWaalsContact SG-CB 3.57Å; C149-C262 HydrophobicContact CB-CB 3.81Å; C149-C262 WeakPolarHBondContact CB-SG 3.28Å; C149-C262 WeakPolarHBondContact SG-CA 3.45Å; C149-C262 WeakPolarHBondContact SG-CB 3.35Å; C149-C262 PolarHBondContact SG-N 2.69Å; C149-C262 VanDerWaalsContact SG-N 3.41Å; C149-C262 CovalentContact SG-SG 2.03Å; C149-C262 PolarHBondContact SG-SG 2.9Å
150K94.2Very high95.6Very high30 Ų3029.6 Ų29.613%0.1315%0.149CC..THydrogen-bonded Turntrans-59.9-50.7-178.3-172.5-175.768.7-1770111.5D59 Y63 K79 Y106 D121 D152D59-K150 WeakPolarHBondContact OD2-CE 2.98Å; D59-K150 IonicContact OD2-NZ 3.85Å; D59-K150 PolarHBondContact OD2-NZ 3.11Å; Y63-K150 WeakPolarHBondContact OH-CA 3.44Å; Y63-K150 PolarHBondContact OH-O 2.62Å; K79-K150 PolarHBondContact NZ-O 2.58Å; Y106-K150 HydrophobicContact CE2-CD 3.99Å; Y106-K150 WeakPolarHBondContact OH-CD 3.37Å; Y106-K150 PolarHBondContact OH-NZ 3.31Å; Y106-K150 VanDerWaalsContact OH-NZ 3.13Å; D121-K150 HydrophobicContact CB-CB 3.82Å; D121-K150 HydrophobicContact CB-CD 4.1Å; D121-K150 WeakPolarHBondContact O-CB 3.5Å; D121-K150 PolarHBondContact O-N 3.28Å; D121-K150 WeakPolarHBondContact OD2-CE 3.43Å; D121-K150 IonicContact OD2-NZ 2.6Å; D121-K150 PolarHBondContact OD2-NZ 2.7Å; K150-D152 PolarHBondContact O-N 2.86Å; K150-D152 VanDerWaalsContact O-N 3.16Å
151G92.1Very high95.8Very high35 Ų3535.5 Ų35.536%0.36117%0.174SC..THydrogen-bonded Turntrans-74.713.7179.300000116.4
152D94.8Very high96Very high2 Ų235 Ų351%0.01117%0.168CC..  trans-71.6133171.6-163.2-5.8000110.3L87 C149 K150 G154 W163 T164 T165 S275L87-D152 HydrophobicContact CD1-CB 4.15Å; L87-D152 VanDerWaalsContact CD1-O 3.31Å; L87-D152 WeakPolarHBondContact CD1-O 3.04Å; C149-D152 WeakPolarHBondContact O-CB 3.4Å; C149-D152 PolarHBondContact O-N 3.47Å; K150-D152 PolarHBondContact O-N 2.86Å; K150-D152 VanDerWaalsContact O-N 3.16Å; D152-G154 PolarHBondContact OD1-N 3.13Å; D152-W163 HydrophobicContact CB-CE3 4.05Å; D152-W163 HydrophobicContact CB-CZ3 4.15Å; D152-T164 PolarHBondContact OD1-OG1 2.98Å; D152-T164 PolarHBondContact OD2-N 2.78Å; D152-T164 PolarHBondContact OD2-OG1 2.85Å; D152-T165 HydrophobicContact CB-CG2 4.11Å; D152-T165 WeakPolarHBondContact CB-OG1 3.47Å; D152-T165 WeakPolarHBondContact OD2-CB 3.47Å; D152-T165 WeakPolarHBondContact OD2-CG2 3.23Å; D152-T165 PolarHBondContact OD2-N 2.98Å; D152-T165 PolarHBondContact OD2-OG1 3.36Å; D152-S275 WeakPolarHBondContact OD1-CB 3.4Å; D152-S275 PolarHBondContact OD1-OG 2.94Å
153I94.4Very high96.1Very high65 Ų6535 Ų3533%0.33317%0.167SC..  trans-126.710.4178.758.2170000112.8S275 L276I153-S275 PolarHBondContact N-OG 2.76Å; I153-L276 HydrophobicContact CD1-CD1 3.65Å; I153-L276 HydrophobicContact CD1-CG 3.74Å; I153-L276 HydrophobicContact CG1-CD1 4.45Å; I153-L276 HydrophobicContact CG1-CG 4.06Å
154G95.2Very high96.1Very high0 Ų035.1 Ų35.10%017%0.169CC..  trans85.2175.8-17600000114.1D152 K162 S275 L276D152-G154 PolarHBondContact OD1-N 3.13Å; G154-K162 VanDerWaalsContact CA-O 3.25Å; G154-K162 WeakPolarHBondContact CA-O 2.99Å; G154-S275 PolarHBondContact N-OG 2.9Å; G154-S275 CarbonylContact O-C 3.59Å; G154-S275 PolarHBondContact O-OG 2.04Å; G154-L276 WeakPolarHBondContact O-CD2 3.39Å; G154-L276 PolarHBondContact O-N 3.27Å
155G95.8Very high96.1Very high4 Ų435.1 Ų35.14%0.04117%0.169CC..  trans-98.1157.4177.700000113.7V158 L159G155-V158 CarbonylContact C-O 3.58Å; G155-V158 WeakPolarHBondContact CA-O 3.47Å; G155-L159 PolarHBondContact N-O 2.71Å
156E94.5Very high96.1Very high93 Ų9335.1 Ų35.144%0.43517%0.169SC..SBendtrans-65.3-42-178.5-173-159.6129.600112.8Q160 L276E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-NE2 2.92Å; E156-L276 WeakPolarHBondContact CB-O 3.3Å
157R95.1Very high96.1Very high149 Ų14935.1 Ų35.156%0.56217%0.169SC*.SBendtrans-127.7-55.9-171.8-55.1174.8-162.8137.18.3111.6D280R157-D280 IonicContact CZ-OD2 2.63Å; R157-D280 IonicContact NH1-OD2 3.18Å; R157-D280 PolarHBondContact NH1-OD2 3.35Å
158V96.1Very high96.1Very high23 Ų2334.6 Ų34.614%0.13917%0.167CC..THydrogen-bonded Turntrans-82.8142.7169.6-176.80000108.6G155 Q160 D280 L283 N284G155-V158 CarbonylContact C-O 3.58Å; G155-V158 WeakPolarHBondContact CA-O 3.47Å; V158-Q160 VanDerWaalsContact C-N 3.26Å; V158-Q160 PolarHBondContact O-N 3.2Å; V158-D280 HydrophobicContact CG2-CB 4.15Å; V158-D280 WeakPolarHBondContact CG2-OD1 3.26Å; V158-L283 HydrophobicContact CB-CB 3.7Å; V158-L283 HydrophobicContact CB-CD1 4.18Å; V158-L283 HydrophobicContact CG1-CB 3.63Å; V158-N284 WeakPolarHBondContact CG2-ND2 3.23Å
159L96.3Very high96.1Very high12 Ų1234.6 Ų34.66%0.06317%0.167CC..THydrogen-bonded Turntrans55.635.6-179.8-67.1165.1000114.1E90 W95 G155 K161 K162 T164 L283 V286 K287E90-L159 HydrophobicContact CB-CD2 4.1Å; E90-L159 HydrophobicContact CG-CD2 4.32Å; W95-L159 HydrophobicContact CH2-CD2 4.31Å; W95-L159 HydrophobicContact CZ2-CD2 4.41Å; G155-L159 PolarHBondContact N-O 2.71Å; L159-K161 PolarHBondContact O-N 3.43Å; L159-K162 HydrophobicContact CB-CB 4.02Å; L159-K162 HydrophobicContact CD2-CB 3.7Å; L159-K162 HydrophobicContact CD2-CG 4.22Å; L159-K162 HydrophobicContact CG-CB 4.48Å; L159-K162 PolarHBondContact O-N 3.44Å; L159-T164 HydrophobicContact CB-CG2 4.3Å; L159-L283 HydrophobicContact CD1-CB 4.42Å; L159-L283 HydrophobicContact CD1-CD2 4.5Å; L159-L283 WeakPolarHBondContact CD1-O 3.37Å; L159-V286 HydrophobicContact CD1-CG1 3.63Å; L159-K287 HydrophobicContact CD1-CB 4.38Å; L159-K287 HydrophobicContact CD2-CG 4.44Å
160Q95.8Very high96.2Very high121 Ų12135.3 Ų35.357%0.56517%0.17SC*.THydrogen-bonded Turntrans-54.9123.9170.5-78.1-179.7-700111.4E156 V158 K162E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-NE2 2.92Å; V158-Q160 VanDerWaalsContact C-N 3.26Å; V158-Q160 PolarHBondContact O-N 3.2Å; Q160-K162 PolarHBondContact O-N 3.24Å; Q160-K162 VanDerWaalsContact O-N 3.13Å
161K94.3Very high96.3Very high145 Ų14534 Ų3463%0.6316%0.164SC*.THydrogen-bonded Turntrans56.819.8-175.5-39.8-165.5176.6-177.20114T85 L87 K88 L159T85-K161 HydrophobicContact CG2-CB 3.75Å; T85-K161 HydrophobicContact CG2-CD 4.06Å; T85-K161 HydrophobicContact CG2-CG 3.58Å; L87-K161 WeakPolarHBondContact CA-O 3.29Å; K88-K161 PolarHBondContact N-O 2.8Å; L159-K161 PolarHBondContact O-N 3.43Å
162K97Very high96.5Very high32 Ų3233 Ų3314%0.13915%0.15CC..BIsolated β-bridgetrans-115.8159.5174.1-55.2-50-169.182.60110.3K88 T89 E90 G154 L159 Q160 T164K88-K162 HydrophobicContact CG-CD 3.66Å; K88-K162 WeakPolarHBondContact O-CA 3.45Å; K88-K162 WeakPolarHBondContact O-CD 3.46Å; T89-K162 PolarHBondContact O-NZ 3.43Å; E90-K162 IonicContact OE1-NZ 3.47Å; E90-K162 IonicContact OE2-NZ 3.86Å; E90-K162 PolarHBondContact OE2-NZ 3.32Å; G154-K162 VanDerWaalsContact CA-O 3.25Å; G154-K162 WeakPolarHBondContact CA-O 2.99Å; L159-K162 HydrophobicContact CB-CB 4.02Å; L159-K162 HydrophobicContact CD2-CB 3.7Å; L159-K162 HydrophobicContact CD2-CG 4.22Å; L159-K162 HydrophobicContact CG-CB 4.48Å; L159-K162 PolarHBondContact O-N 3.44Å; Q160-K162 PolarHBondContact O-N 3.24Å; Q160-K162 VanDerWaalsContact O-N 3.13Å; K162-T164 PolarHBondContact O-N 3.33Å
163W97.6Very high96.5Very high0 Ų032.9 Ų32.90%015%0.15CC..  trans-61.4133.8171.6-58.7108.7000111.4Y63 I77 K79 L87 K88 W95 V148 D152 F166Y63-W163 AromaticContact CD1-CH2 3.85Å; Y63-W163 HydrophobicContact CD1-CH2 3.85Å; Y63-W163 HydrophobicContact CD1-CZ2 4.42Å; Y63-W163 AromaticContact CE1-CH2 3.55Å; Y63-W163 HydrophobicContact CE1-CH2 3.55Å; Y63-W163 HydrophobicContact CE1-CZ3 4.22Å; I77-W163 HydrophobicContact CG2-CZ2 4.39Å; I77-W163 PolarHBondContact O-NE1 2.84Å; K79-W163 HydrophobicContact CB-CH2 3.49Å; K79-W163 VanDerWaalsContact CB-CH2 3.49Å; K79-W163 HydrophobicContact CB-CZ2 3.62Å; K79-W163 HydrophobicContact CD-CH2 3.83Å; K79-W163 HydrophobicContact CD-CZ3 4.22Å; K79-W163 HydrophobicContact CG-CH2 4.16Å; L87-W163 HydrophobicContact CB-CD2 4.06Å; L87-W163 HydrophobicContact CB-CE3 4.23Å; L87-W163 HydrophobicContact CB-CH2 4.39Å; L87-W163 HydrophobicContact CB-CZ2 4.21Å; L87-W163 HydrophobicContact CB-CZ3 4.4Å; L87-W163 HydrophobicContact CD1-CD2 4.22Å; L87-W163 HydrophobicContact CD1-CE3 3.63Å; L87-W163 HydrophobicContact CD1-CH2 4.46Å; L87-W163 HydrophobicContact CD1-CZ3 3.77Å; K88-W163 VanDerWaalsContact O-CD1 3.27Å; K88-W163 PolarHBondContact O-N 2.99Å; K88-W163 VanDerWaalsContact O-N 3.16Å; W95-W163 HydrophobicContact CZ3-CB 4.17Å; V148-W163 HydrophobicContact CB-CD2 4.22Å; V148-W163 HydrophobicContact CB-CE3 3.78Å; V148-W163 HydrophobicContact CB-CH2 4.26Å; V148-W163 HydrophobicContact CB-CZ3 3.8Å; V148-W163 HydrophobicContact CG1-CD2 3.74Å; V148-W163 HydrophobicContact CG1-CE3 3.83Å; V148-W163 HydrophobicContact CG1-CG 4.08Å; V148-W163 HydrophobicContact CG1-CH2 4.5Å; V148-W163 HydrophobicContact CG1-CZ2 4.45Å; V148-W163 HydrophobicContact CG1-CZ3 4.22Å; V148-W163 HydrophobicContact CG2-CE3 4.21Å; V148-W163 HydrophobicContact CG2-CH2 3.76Å; V148-W163 HydrophobicContact CG2-CZ2 4.27Å; V148-W163 HydrophobicContact CG2-CZ3 3.74Å; D152-W163 HydrophobicContact CB-CE3 4.05Å; D152-W163 HydrophobicContact CB-CZ3 4.15Å; W163-F166 HydrophobicContact CB-CB 3.74Å; W163-F166 HydrophobicContact CG-CB 4.3Å
164T97.4Very high96.4Very high5 Ų530.8 Ų30.83%0.03114%0.141CC..SBendtrans-97.7-14.5166.668.30000111.7D152 L159 K162 S275 L283D152-T164 PolarHBondContact OD1-OG1 2.98Å; D152-T164 PolarHBondContact OD2-N 2.78Å; D152-T164 PolarHBondContact OD2-OG1 2.85Å; L159-T164 HydrophobicContact CB-CG2 4.3Å; K162-T164 PolarHBondContact O-N 3.33Å; T164-S275 WeakPolarHBondContact OG1-CB 3.12Å; T164-L283 HydrophobicContact CG2-CD2 3.47Å; T164-L283 VanDerWaalsContact CG2-CD2 3.47Å
165T97.6Very high96.1Very high2 Ų233.8 Ų33.81%0.01216%0.156CC..SBendtrans-109.54.4-172.660.50000114.9C149 D152 L167C149-T165 HydrophobicContact CB-CG2 3.84Å; C149-T165 PolarHBondContact N-OG1 3.25Å; C149-T165 VanDerWaalsContact SG-CB 3.57Å; D152-T165 HydrophobicContact CB-CG2 4.11Å; D152-T165 WeakPolarHBondContact CB-OG1 3.47Å; D152-T165 WeakPolarHBondContact OD2-CB 3.47Å; D152-T165 WeakPolarHBondContact OD2-CG2 3.23Å; D152-T165 PolarHBondContact OD2-N 2.98Å; D152-T165 PolarHBondContact OD2-OG1 3.36Å; T165-L167 PolarHBondContact O-N 3.35Å
166F98.5Very high95.2Very high0 Ų037.7 Ų37.70%018%0.181CC..  trans-71.8125-179.9177.3-98.3000112.5I77 W95 L96 A146 R147 V148 W163 K168 F290I77-F166 HydrophobicContact CD1-CE2 3.78Å; W95-F166 HydrophobicContact CB-CE1 4.11Å; W95-F166 AromaticContact CD2-CD1 3.83Å; W95-F166 HydrophobicContact CD2-CD1 3.83Å; W95-F166 HydrophobicContact CD2-CE1 4.09Å; W95-F166 HydrophobicContact CE3-CB 4.2Å; W95-F166 AromaticContact CE3-CD1 3.27Å; W95-F166 HydrophobicContact CE3-CD1 3.27Å; W95-F166 AromaticContact CE3-CE1 3.77Å; W95-F166 HydrophobicContact CE3-CE1 3.77Å; W95-F166 AromaticContact CE3-CG 3.85Å; W95-F166 HydrophobicContact CE3-CG 3.85Å; W95-F166 HydrophobicContact CG-CD1 4.49Å; W95-F166 HydrophobicContact CG-CE1 4.3Å; W95-F166 HydrophobicContact CH2-CB 4.03Å; W95-F166 HydrophobicContact CH2-CD1 4.16Å; W95-F166 HydrophobicContact CH2-CG 4.49Å; W95-F166 HydrophobicContact CZ3-CB 3.54Å; W95-F166 AromaticContact CZ3-CD1 3.5Å; W95-F166 HydrophobicContact CZ3-CD1 3.5Å; W95-F166 HydrophobicContact CZ3-CE1 4.43Å; W95-F166 AromaticContact CZ3-CG 3.72Å; W95-F166 HydrophobicContact CZ3-CG 3.72Å; L96-F166 HydrophobicContact CD2-CZ 4.13Å; A146-F166 HydrophobicContact CB-CE2 3.79Å; A146-F166 HydrophobicContact CB-CZ 4.27Å; R147-F166 WeakPolarHBondContact O-CA 3.48Å; V148-F166 HydrophobicContact CG1-CB 4.05Å; V148-F166 HydrophobicContact CG1-CD2 3.98Å; W163-F166 HydrophobicContact CB-CB 3.74Å; W163-F166 HydrophobicContact CG-CB 4.3Å; F166-K168 HydrophobicContact CZ-CB 4.34Å; F166-K168 HydrophobicContact CZ-CD 4.43Å; F166-F290 HydrophobicContact CD1-CB 4.12Å; F166-F290 HydrophobicContact CE1-CB 4.23Å; F166-F290 HydrophobicContact CE1-CD2 4.33Å
167L98.6Very high94.2Very high0 Ų040.8 Ų40.80%020%0.201CC..EExtended strand (participates in β ladder)trans-139.5148.7168.5-64.8175.7000110A146 R147 T165 F233 Y237 V286 F290 M292A146-L167 CarbonylContact C-O 3.59Å; A146-L167 WeakPolarHBondContact CA-O 3.44Å; A146-L167 WeakPolarHBondContact CB-O 3.32Å; R147-L167 PolarHBondContact N-O 2.91Å; R147-L167 PolarHBondContact O-N 2.9Å; T165-L167 PolarHBondContact O-N 3.35Å; L167-F233 HydrophobicContact CB-CD1 3.69Å; L167-F233 HydrophobicContact CB-CE1 3.73Å; L167-F233 HydrophobicContact CD1-CD1 4.18Å; L167-F233 WeakPolarHBondContact O-CE1 3.16Å; L167-Y237 HydrophobicContact CD1-CE1 4.32Å; L167-Y237 HydrophobicContact CD2-CD1 4.31Å; L167-Y237 HydrophobicContact CD2-CE1 3.81Å; L167-V286 HydrophobicContact CD2-CG2 4.11Å; L167-F290 WeakPolarHBondContact CA-O 3.49Å; L167-M292 HydrophobicContact CB-SD 4.28Å; L167-M292 HydrophobicContact CD1-SD 3.98Å; L167-M292 HydrophobicContact CD2-SD 4.1Å; L167-M292 HydrophobicContact CG-SD 4.36Å
168K98.3Very high92.8Very high3 Ų336.5 Ų36.51%0.01319%0.189CC..EExtended strand (participates in β ladder)trans-128145.1171.473.6-176-176.9-175.70113.2W95 F127 E129 I145 A146 F166 F290 L291 M292W95-K168 WeakPolarHBondContact O-CE 3.41Å; W95-K168 PolarHBondContact O-NZ 3.27Å; F127-K168 HydrophobicContact CZ-CD 4.32Å; E129-K168 WeakPolarHBondContact OE1-CE 3.49Å; E129-K168 IonicContact OE1-NZ 3.52Å; E129-K168 PolarHBondContact OE1-NZ 3.26Å; E129-K168 IonicContact OE2-NZ 2.79Å; E129-K168 PolarHBondContact OE2-NZ 3.07Å; I145-K168 CarbonylContact O-C 3.56Å; I145-K168 WeakPolarHBondContact O-CA 3.47Å; A146-K168 HydrophobicContact CB-CB 3.8Å; F166-K168 HydrophobicContact CZ-CB 4.34Å; F166-K168 HydrophobicContact CZ-CD 4.43Å; K168-F290 HydrophobicContact CD-CD2 4.45Å; K168-F290 PolarHBondContact N-O 2.96Å; K168-L291 HydrophobicContact CG-CD1 3.99Å; K168-M292 WeakPolarHBondContact O-CG 3.27Å; K168-M292 PolarHBondContact O-N 3.24Å
169A98.4Very high91.5Very high0 Ų038.6 Ų38.60%022%0.215CC..EExtended strand (participates in β ladder)trans-131.4154.9177.800000111R144 I145 A232 F233 M292 I296R144-A169 WeakPolarHBondContact CA-O 3.34Å; R144-A169 WeakPolarHBondContact CD-O 3.37Å; I145-A169 HydrophobicContact CG2-CB 4.21Å; I145-A169 PolarHBondContact N-O 3.14Å; I145-A169 PolarHBondContact O-N 3.17Å; A169-A232 HydrophobicContact CB-CB 4.44Å; A169-F233 HydrophobicContact CB-CE1 4.11Å; A169-F233 HydrophobicContact CB-CZ 4.16Å; A169-M292 HydrophobicContact CB-CB 3.98Å; A169-M292 HydrophobicContact CB-CG 4.03Å; A169-I296 HydrophobicContact CB-CD1 3.78Å
170Q97.6Very high90.8Very high20 Ų2042.6 Ų42.69%0.09323%0.232CC..EExtended strand (participates in β ladder)trans-78.6127.7178.1-170-178.628.500111.3V295 I296Q170-V295 HydrophobicContact CB-CG1 4.17Å; Q170-V295 HydrophobicContact CB-CG2 4.41Å; Q170-V295 HydrophobicContact CG-CG1 4.19Å; Q170-V295 VanDerWaalsContact OE1-CG2 3.26Å; Q170-I296 WeakPolarHBondContact O-CB 3.46Å; Q170-I296 PolarHBondContact O-N 2.98Å
171L97.9Very high90.5Very high2 Ų238.1 Ų38.11%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-87.5134.4162-67.6174.6000108.8F126 S143 I145 I185 M188 F207 F224 I296F126-L171 HydrophobicContact CD1-CD1 4.47Å; S143-L171 PolarHBondContact O-N 2.9Å; I145-L171 HydrophobicContact CB-CD1 4.11Å; I145-L171 HydrophobicContact CB-CD2 4.11Å; I145-L171 HydrophobicContact CB-CG 3.99Å; I145-L171 HydrophobicContact CG2-CD2 3.82Å; I145-L171 HydrophobicContact CG2-CG 3.96Å; L171-I185 HydrophobicContact CD1-CD1 4.25Å; L171-M188 HydrophobicContact CD1-CE 3.96Å; L171-F207 HydrophobicContact CB-CE1 4.41Å; L171-F207 HydrophobicContact CB-CZ 4.46Å; L171-F207 HydrophobicContact CD1-CZ 4.44Å; L171-F224 HydrophobicContact CB-CZ 4.36Å; L171-F224 HydrophobicContact CD2-CD1 4.27Å; L171-F224 HydrophobicContact CD2-CD2 4.12Å; L171-F224 HydrophobicContact CD2-CE1 4.31Å; L171-F224 HydrophobicContact CD2-CE2 4.19Å; L171-F224 HydrophobicContact CD2-CG 4.16Å; L171-F224 HydrophobicContact CD2-CZ 4.28Å; L171-I296 HydrophobicContact CD2-CB 4.13Å; L171-I296 HydrophobicContact CD2-CD1 4.42Å; L171-I296 HydrophobicContact CD2-CG2 3.96Å
172L95Very high90.4Very high15 Ų1531.4 Ų31.48%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-133.5116.9176.6-171.772000111.4P181 V295 I296 R297 S298L172-P181 HydrophobicContact CD1-CB 3.59Å; L172-P181 HydrophobicContact CD1-CG 4.04Å; L172-P181 HydrophobicContact CG-CB 4.46Å; L172-V295 HydrophobicContact CB-CG1 3.59Å; L172-V295 HydrophobicContact CD2-CG1 4.14Å; L172-V295 HydrophobicContact CG-CG1 4.48Å; L172-I296 PolarHBondContact N-O 3.49Å; L172-R297 HydrophobicContact CB-CG 4.3Å; L172-R297 HydrophobicContact CD2-CG 4.09Å; L172-R297 WeakPolarHBondContact O-CA 2.95Å; L172-S298 PolarHBondContact O-N 3.21Å
173C95.5Very high90.2Very high0 Ų030.2 Ų30.20%018%0.18CC..EExtended strand (participates in β ladder)trans-102.3106.5171.3-170.60000108.8F182 F207 C222C173-F182 HydrophobicContact CB-CB 4.24Å; C173-F182 PolarHBondContact O-N 3.23Å; C173-F207 HydrophobicContact CB-CB 4.11Å; C173-F207 HydrophobicContact CB-CD1 4.15Å; C173-F207 HydrophobicContact CB-CD2 3.62Å; C173-F207 HydrophobicContact CB-CE2 4.05Å; C173-F207 HydrophobicContact CB-CG 3.69Å; C173-C222 WeakPolarHBondContact CA-SG 3.44Å; C173-C222 HydrophobicContact CB-CB 3.75Å; C173-C222 WeakPolarHBondContact CB-SG 3.19Å; C173-C222 WeakPolarHBondContact SG-CB 3.45Å; C173-C222 CovalentContact SG-SG 2.03Å; C173-C222 PolarHBondContact SG-SG 3.02Å
174S92.5Very high90.1Very high21 Ų2131.8 Ų31.815%0.14719%0.188CC..  trans-150.6153.8-178.581.50000112.4S298 Q299 P300S174-S298 PolarHBondContact N-O 3.46Å; S174-S298 VanDerWaalsContact N-O 3.11Å; S174-Q299 WeakPolarHBondContact O-CA 3.25Å; S174-P300 WeakPolarHBondContact O-CD 3.12Å
175L88Confident90.1Very high62 Ų6231.6 Ų31.633%0.32519%0.187SC..  trans-72.4164.1161.6-63.2169.2000109.4D178 P300 L303L175-D178 HydrophobicContact CB-CB 3.84Å; L175-D178 HydrophobicContact CD1-CB 4Å; L175-D178 HydrophobicContact CG-CB 4.46Å; L175-P300 HydrophobicContact CD2-CG 4.34Å; L175-P300 HydrophobicContact CG-CG 4.48Å; L175-L303 HydrophobicContact CD1-CD1 4.13Å
176P77.4Confident90.1Very high86 Ų8633.5 Ų33.556%0.55820%0.195SC*.SBendtrans-71.6-38.4174.6-18.133.3000112.7Q299P176-Q299 VanDerWaalsContact CG-NE2 3.34Å
177D72.8Confident90.1Very high159 Ų15934.2 Ų34.285%0.8520%0.199SC*.SBendtrans-106.4-1.9-166.6-41.8-75.7000113.4
178D67.3Low90.1Very high59 Ų5934.9 Ų34.932%0.31620%0.202SC..  trans-99.8124177.1-161.7-20.7000109.9L175 F180L175-D178 HydrophobicContact CB-CB 3.84Å; L175-D178 HydrophobicContact CD1-CB 4Å; L175-D178 HydrophobicContact CG-CB 4.46Å; D178-F180 VanDerWaalsContact C-N 3.25Å; D178-F180 PolarHBondContact O-N 3.49Å
179G68.6Low90.1Very high67 Ų6737 Ų3769%0.69121%0.212SC*.SBendtrans-70.4-16.9-172.500000114.7
180F80.7Confident90.1Very high96 Ų9638.6 Ų38.642%0.42122%0.221SC..SBendtrans-112.4107.7-174.5-65.6-73.7000112D178 W211D178-F180 VanDerWaalsContact C-N 3.25Å; D178-F180 PolarHBondContact O-N 3.49Å; F180-W211 HydrophobicContact CB-CE3 4.21Å; F180-W211 HydrophobicContact CD1-CB 4.3Å; F180-W211 AromaticContact CD1-CD2 3.58Å; F180-W211 HydrophobicContact CD1-CD2 3.58Å; F180-W211 AromaticContact CD1-CE2 3.93Å; F180-W211 AromaticContact CD1-CE3 3.92Å; F180-W211 HydrophobicContact CD1-CE3 3.92Å; F180-W211 AromaticContact CD1-CG 3.75Å; F180-W211 HydrophobicContact CD1-CG 3.75Å; F180-W211 HydrophobicContact CE1-CD2 4.23Å; F180-W211 HydrophobicContact CE1-CG 4.13Å; F180-W211 HydrophobicContact CG-CD2 4.49Å
181P89.4Confident90Very high26 Ų2638.7 Ų38.717%0.16922%0.222CC..  trans-74.7158.118029.7-34.5000113.1L172 N183 W211L172-P181 HydrophobicContact CD1-CB 3.59Å; L172-P181 HydrophobicContact CD1-CG 4.04Å; L172-P181 HydrophobicContact CG-CB 4.46Å; P181-N183 VanDerWaalsContact C-N 3.33Å; P181-N183 HydrophobicContact CG-CB 4.36Å; P181-N183 PolarHBondContact O-N 3.22Å; P181-N183 VanDerWaalsContact O-N 3.09Å; P181-W211 HydrophobicContact CG-CH2 4.26Å; P181-W211 HydrophobicContact CG-CZ3 3.91Å
182F93.6Very high89.7Confident4 Ų440.9 Ų40.92%0.01824%0.236CC..BIsolated β-bridgetrans-81.486165.4-61.8-96.9000107.6C173 F207 T208 S218 A220 P300 L303C173-F182 HydrophobicContact CB-CB 4.24Å; C173-F182 PolarHBondContact O-N 3.23Å; F182-F207 HydrophobicContact CB-CB 3.58Å; F182-T208 CarbonylContact C-O 3.57Å; F182-T208 VanDerWaalsContact C-O 3.27Å; F182-T208 WeakPolarHBondContact CA-O 3.36Å; F182-S218 WeakPolarHBondContact CE1-O 3.28Å; F182-A220 HydrophobicContact CB-CB 3.99Å; F182-A220 HydrophobicContact CD1-CB 3.7Å; F182-A220 HydrophobicContact CD2-CB 3.62Å; F182-A220 HydrophobicContact CE1-CB 4.05Å; F182-A220 HydrophobicContact CE2-CB 3.99Å; F182-A220 HydrophobicContact CG-CB 3.48Å; F182-A220 VanDerWaalsContact CG-CB 3.48Å; F182-A220 HydrophobicContact CZ-CB 4.19Å; F182-P300 HydrophobicContact CD2-CG 4.43Å; F182-P300 HydrophobicContact CE2-CG 4.47Å; F182-L303 HydrophobicContact CE2-CD1 3.8Å; F182-L303 HydrophobicContact CE2-CG 4.48Å; F182-L303 HydrophobicContact CZ-CD1 3.72Å; F182-L303 HydrophobicContact CZ-CG 4.02Å
183N92.3Very high89.3Confident7 Ų744.3 Ų44.34%0.03726%0.259CS..  trans-92.3-14.5-166.167.8-51.8000114.9V141 S143 P181 T208 Q210 W211V141-N183 PolarHBondContact O-ND2 3.4Å; S143-N183 PolarHBondContact N-O 2.84Å; S143-N183 VanDerWaalsContact N-O 3.15Å; S143-N183 PolarHBondContact OG-O 3.44Å; P181-N183 VanDerWaalsContact C-N 3.33Å; P181-N183 HydrophobicContact CG-CB 4.36Å; P181-N183 PolarHBondContact O-N 3.22Å; P181-N183 VanDerWaalsContact O-N 3.09Å; N183-T208 PolarHBondContact N-O 2.82Å; N183-T208 VanDerWaalsContact N-O 3.11Å; N183-Q210 VanDerWaalsContact ND2-CD 3.33Å; N183-Q210 WeakPolarHBondContact ND2-CG 3.29Å; N183-Q210 PolarHBondContact ND2-OE1 3.45Å; N183-Q210 PolarHBondContact OD1-N 2.86Å; N183-W211 HydrophobicContact CB-CZ3 4.27Å
184I95.6Very high88.7Confident34 Ų3446.1 Ų46.117%0.17427%0.272CS..EExtended strand (participates in β ladder)trans-106.6104.6-179.7-48.6-177.6000110.1V141 F207 T208 Q210V141-I184 HydrophobicContact CB-CD1 4.5Å; V141-I184 HydrophobicContact CB-CG1 4.16Å; V141-I184 HydrophobicContact CG1-CD1 4.48Å; V141-I184 HydrophobicContact CG1-CG1 3.94Å; I184-F207 CarbonylContact O-C 3.42Å; I184-F207 WeakPolarHBondContact O-CA 3.12Å; I184-T208 PolarHBondContact N-O 3.36Å; I184-T208 PolarHBondContact O-N 2.83Å; I184-T208 PolarHBondContact O-OG1 3.09Å; I184-Q210 HydrophobicContact CD1-CB 3.73Å; I184-Q210 HydrophobicContact CG1-CB 4.17Å
185I97.9Very high87.9Confident1 Ų149 Ų491%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-60.4140.4169.3-163.5171.4000110.6V102 F126 S143 L171 D187 M188 V206 F207V102-I185 HydrophobicContact CG1-CG2 4.12Å; V102-I185 HydrophobicContact CG2-CD1 3.86Å; V102-I185 HydrophobicContact CG2-CG1 4.03Å; V102-I185 HydrophobicContact CG2-CG2 4.04Å; F126-I185 HydrophobicContact CB-CD1 4.25Å; S143-I185 WeakPolarHBondContact OG-CB 3.32Å; S143-I185 PolarHBondContact OG-N 2.93Å; L171-I185 HydrophobicContact CD1-CD1 4.25Å; I185-D187 WeakPolarHBondContact CG1-O 2.93Å; I185-M188 HydrophobicContact CD1-CB 4.17Å; I185-M188 HydrophobicContact CD1-CE 3.79Å; I185-V206 CarbonylContact C-O 3.49Å; I185-V206 WeakPolarHBondContact CA-O 3.29Å; I185-F207 HydrophobicContact CB-CD1 3.93Å; I185-F207 HydrophobicContact CB-CE1 3.74Å; I185-F207 HydrophobicContact CD1-CE1 4.18Å; I185-F207 HydrophobicContact CD1-CZ 4.18Å; I185-F207 HydrophobicContact CG1-CD1 4.29Å; I185-F207 HydrophobicContact CG1-CE1 3.89Å; I185-F207 HydrophobicContact CG1-CZ 4.16Å
186Q97.4Very high87.5Confident41 Ų4147.8 Ų47.819%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-110.4-34.2171.9-54.3-66.7-110.500111.2V102 V206 T208V102-Q186 WeakPolarHBondContact CG1-O 3.29Å; Q186-V206 HydrophobicContact CB-CB 4.48Å; Q186-V206 HydrophobicContact CB-CG1 3.97Å; Q186-V206 HydrophobicContact CG-CG1 4.24Å; Q186-V206 PolarHBondContact N-O 3.47Å; Q186-T208 HydrophobicContact CG-CG2 3.78Å
187D98.3Very high87.9Confident16 Ų1647.8 Ų47.89%0.08629%0.288CS..EExtended strand (participates in β ladder)trans-158.5162.1-178.9-170.122.7000111.7I185 G205 V206 Q311 I312I185-D187 WeakPolarHBondContact CG1-O 2.93Å; D187-G205 WeakPolarHBondContact O-CA 3.45Å; D187-V206 PolarHBondContact O-N 2.87Å; D187-Q311 VanDerWaalsContact CG-NE2 3.28Å; D187-Q311 VanDerWaalsContact OD2-CA 3.28Å; D187-Q311 WeakPolarHBondContact OD2-CA 3.48Å; D187-Q311 PolarHBondContact OD2-NE2 3.5Å; D187-I312 HydrophobicContact CB-CG2 4.24Å; D187-I312 PolarHBondContact OD2-N 2.94Å
188M98.3Very high88.6Confident13 Ų1340.9 Ų40.96%0.06425%0.25CC..EExtended strand (participates in β ladder)trans-146.3113178.7-178.660.266.900112.6F126 L171 I185 V190 F203 F207 F224F126-M188 HydrophobicContact CB-CB 4.06Å; F126-M188 HydrophobicContact CB-CG 4.41Å; F126-M188 HydrophobicContact CD1-CB 4.31Å; F126-M188 HydrophobicContact CD1-CE 4.34Å; F126-M188 HydrophobicContact CD1-CG 3.73Å; F126-M188 HydrophobicContact CD2-CB 3.89Å; F126-M188 HydrophobicContact CD2-CG 3.67Å; F126-M188 HydrophobicContact CE1-CG 3.8Å; F126-M188 HydrophobicContact CE2-CB 4.46Å; F126-M188 HydrophobicContact CE2-CG 3.79Å; F126-M188 HydrophobicContact CG-CB 3.82Å; F126-M188 HydrophobicContact CG-CG 3.65Å; F126-M188 HydrophobicContact CZ-CG 3.86Å; L171-M188 HydrophobicContact CD1-CE 3.96Å; I185-M188 HydrophobicContact CD1-CB 4.17Å; I185-M188 HydrophobicContact CD1-CE 3.79Å; M188-V190 HydrophobicContact CG-CG2 4.3Å; M188-F203 HydrophobicContact CE-CB 4.4Å; M188-F203 VanDerWaalsContact SD-C 3.55Å; M188-F203 HydrophobicContact SD-CB 3.68Å; M188-F207 HydrophobicContact CE-CZ 4.38Å; M188-F224 HydrophobicContact CE-CD2 4.38Å; M188-F224 HydrophobicContact CE-CE2 4.27Å
189F98.1Very high89.7Confident49 Ų4944.5 Ų44.522%0.21526%0.262CS..EExtended strand (participates in β ladder)trans-94.5133.4169.2-168.2-91.6000111.5L191 Y204 I312 V313 V314F189-L191 HydrophobicContact CD1-CB 4.24Å; F189-L191 HydrophobicContact CE1-CB 4.1Å; F189-L191 HydrophobicContact CE1-CD1 4.2Å; F189-Y204 PolarHBondContact N-O 3.24Å; F189-Y204 PolarHBondContact O-N 3.09Å; F189-I312 HydrophobicContact CB-CG2 4.23Å; F189-V313 HydrophobicContact CD2-CB 3.95Å; F189-V313 HydrophobicContact CD2-CG1 3.94Å; F189-V313 HydrophobicContact CE2-CB 3.9Å; F189-V313 HydrophobicContact CE2-CG1 4.02Å; F189-V314 HydrophobicContact CB-CG2 4.3Å; F189-V314 HydrophobicContact CD1-CB 3.61Å; F189-V314 HydrophobicContact CD1-CG2 3.78Å; F189-V314 HydrophobicContact CE1-CB 3.78Å; F189-V314 HydrophobicContact CE1-CG2 4.45Å; F189-V314 WeakPolarHBondContact CE1-O 3.39Å; F189-V314 HydrophobicContact CG-CB 4.38Å; F189-V314 HydrophobicContact CG-CG2 4.2Å; F189-V314 VanDerWaalsContact CZ-O 3.29Å; F189-V314 WeakPolarHBondContact CZ-O 3.46Å
190V97.5Very high90.9Very high33 Ų3344.7 Ų44.720%0.225%0.25CS..EExtended strand (participates in β ladder)trans-108.4103179.6-175.50000109.9A105 I107 F126 M188 T201 F203A105-V190 HydrophobicContact CB-CB 4.07Å; A105-V190 HydrophobicContact CB-CG1 4.32Å; A105-V190 HydrophobicContact CB-CG2 3.64Å; I107-V190 HydrophobicContact CD1-CG1 4.33Å; F126-V190 HydrophobicContact CE2-CG2 3.77Å; F126-V190 HydrophobicContact CZ-CG2 3.77Å; M188-V190 HydrophobicContact CG-CG2 4.3Å; V190-T201 HydrophobicContact CG1-CG2 3.48Å; V190-T201 VanDerWaalsContact CG1-CG2 3.48Å; V190-F203 HydrophobicContact CG1-CD1 4.15Å; V190-F203 HydrophobicContact CG1-CE1 3.97Å; V190-F203 HydrophobicContact CG2-CD1 3.82Å; V190-F203 HydrophobicContact CG2-CE1 4.14Å
191L95.9Very high91.7Very high21 Ų2140.1 Ų40.111%0.1123%0.23CC..EExtended strand (participates in β ladder)trans-91.9107.8178.9-178.470.9000110.2F189 T201 L202 Y204 V314 N325F189-L191 HydrophobicContact CD1-CB 4.24Å; F189-L191 HydrophobicContact CE1-CB 4.1Å; F189-L191 HydrophobicContact CE1-CD1 4.2Å; L191-T201 WeakPolarHBondContact O-CA 3.25Å; L191-L202 PolarHBondContact N-O 3.25Å; L191-L202 PolarHBondContact O-N 2.9Å; L191-Y204 HydrophobicContact CB-CD2 4.27Å; L191-Y204 HydrophobicContact CB-CE2 4.3Å; L191-Y204 HydrophobicContact CD2-CE2 4Å; L191-V314 HydrophobicContact CD2-CG1 4.05Å; L191-N325 HydrophobicContact CD2-CB 4.44Å; L191-N325 VanDerWaalsContact CD2-ND2 3.3Å; L191-N325 WeakPolarHBondContact CD2-ND2 3.38Å
192T92.6Very high92Very high48 Ų4840.7 Ų40.729%0.29423%0.232SC..  trans-108.2106.3173.2-630000108.7S194 T201T192-S194 VanDerWaalsContact C-N 3.34Å; T192-S194 VanDerWaalsContact CG2-O 3.25Å; T192-S194 WeakPolarHBondContact CG2-O 3.41Å; T192-S194 PolarHBondContact O-N 2.91Å; T192-T201 WeakPolarHBondContact CB-OG1 3.29Å; T192-T201 WeakPolarHBondContact CG2-OG1 3.37Å; T192-T201 WeakPolarHBondContact OG1-CG2 3.31Å; T192-T201 PolarHBondContact OG1-OG1 2.96Å
193P84.8Confident92.2Very high87 Ų8740.5 Ų40.557%0.56523%0.231SC*.SBendtrans-61.3-35.3-170.6-27.536.5000115.1T200P193-T200 WeakPolarHBondContact CD-OG1 3.23Å; P193-T200 WeakPolarHBondContact CG-OG1 3.32Å
194S83.4Confident92.5Very high38 Ų3840.9 Ų40.927%0.26623%0.232SC..SBendtrans-146152.3164.6103.60000108.8T192 G196 D197T192-S194 VanDerWaalsContact C-N 3.34Å; T192-S194 VanDerWaalsContact CG2-O 3.25Å; T192-S194 WeakPolarHBondContact CG2-O 3.41Å; T192-S194 PolarHBondContact O-N 2.91Å; S194-G196 PolarHBondContact O-N 2.87Å; S194-G196 PolarHBondContact OG-N 3.3Å; S194-D197 VanDerWaalsContact CB-OD2 3.28Å; S194-D197 WeakPolarHBondContact CB-OD2 3.46Å; S194-D197 PolarHBondContact O-N 2.79Å; S194-D197 PolarHBondContact OG-N 2.96Å; S194-D197 PolarHBondContact OG-OD2 3.03Å
195P76.9Confident92.7Very high82 Ų8239.3 Ų39.353%0.53222%0.224SC..THydrogen-bonded Turntrans-59.3-25.7176.9-25.635.4000114.2L111L111-P195 HydrophobicContact CD1-CB 3.61Å; L111-P195 WeakPolarHBondContact CD1-O 3.42Å
196G78.6Confident92.7Very high36 Ų3639.2 Ų39.237%0.37122%0.223SC..THydrogen-bonded Turntrans-79.6-24174.700000113.7S194 W198S194-G196 PolarHBondContact O-N 2.87Å; S194-G196 PolarHBondContact OG-N 3.3Å; G196-W198 PolarHBondContact O-N 3.43Å
197D85.3Confident92.7Very high87 Ų8737.3 Ų37.347%0.46521%0.214SC..  trans-98.532.5-174.7-61.8-64.2000112.5S194 K199 T200S194-D197 VanDerWaalsContact CB-OD2 3.28Å; S194-D197 WeakPolarHBondContact CB-OD2 3.46Å; S194-D197 PolarHBondContact O-N 2.79Å; S194-D197 PolarHBondContact OG-N 2.96Å; S194-D197 PolarHBondContact OG-OD2 3.03Å; D197-K199 PolarHBondContact O-N 2.8Å; D197-T200 HydrophobicContact CB-CG2 4.38Å; D197-T200 WeakPolarHBondContact O-CA 3.43Å; D197-T200 WeakPolarHBondContact O-CB 3.3Å; D197-T200 PolarHBondContact O-N 2.91Å; D197-T200 PolarHBondContact O-OG1 2.84Å
198W89.1Confident92.5Very high14 Ų1437.1 Ų37.15%0.05321%0.214CC..G310 helixtrans-53.7-26.1-175.967.3-104.4000114.5I107 E109 G196 T200 T201 M226I107-W198 HydrophobicContact CG2-CB 3.96Å; E109-W198 HydrophobicContact CB-CD2 4.03Å; E109-W198 HydrophobicContact CB-CE3 4.42Å; E109-W198 HydrophobicContact CB-CH2 4.18Å; E109-W198 HydrophobicContact CB-CZ2 3.75Å; E109-W198 HydrophobicContact CG-CD2 3.75Å; E109-W198 HydrophobicContact CG-CE3 3.74Å; E109-W198 HydrophobicContact CG-CG 4.29Å; E109-W198 HydrophobicContact CG-CH2 4.08Å; E109-W198 HydrophobicContact CG-CZ2 4.09Å; E109-W198 HydrophobicContact CG-CZ3 3.93Å; E109-W198 PolarHBondContact O-NE1 3.07Å; E109-W198 WeakPolarHBondContact OE2-CH2 3.3Å; E109-W198 WeakPolarHBondContact OE2-CZ3 3.24Å; G196-W198 PolarHBondContact O-N 3.43Å; W198-T200 PolarHBondContact O-N 2.87Å; W198-T201 WeakPolarHBondContact O-CB 3.36Å; W198-T201 PolarHBondContact O-N 2.89Å; W198-T201 PolarHBondContact O-OG1 3.02Å; W198-M226 HydrophobicContact CE3-CE 3.78Å; W198-M226 HydrophobicContact CE3-CG 4Å; W198-M226 HydrophobicContact CZ3-CE 3.66Å; W198-M226 HydrophobicContact CZ3-CG 3.99Å
199K90.6Very high92.1Very high134 Ų13436.9 Ų36.958%0.58321%0.214SC*.G310 helixtrans-65.6-18.1174.7-65.5-173.7176.5-173.10113.5D197D197-K199 PolarHBondContact O-N 2.8Å
200T93.3Very high91.6Very high71 Ų7135.4 Ų35.444%0.43621%0.207SC..G310 helixtrans-92.60.2174.871.30000113.2P193 D197 W198 L202P193-T200 WeakPolarHBondContact CD-OG1 3.23Å; P193-T200 WeakPolarHBondContact CG-OG1 3.32Å; D197-T200 HydrophobicContact CB-CG2 4.38Å; D197-T200 WeakPolarHBondContact O-CA 3.43Å; D197-T200 WeakPolarHBondContact O-CB 3.3Å; D197-T200 PolarHBondContact O-N 2.91Å; D197-T200 PolarHBondContact O-OG1 2.84Å; W198-T200 PolarHBondContact O-N 2.87Å; T200-L202 PolarHBondContact O-N 3.08Å
201T96.1Very high90.9Very high0 Ų037.5 Ų37.50%021%0.212CC..  trans-57.3134.1-179.6-66.50000112.3I107 V190 L191 T192 W198 F203 M226I107-T201 HydrophobicContact CD1-CG2 4.18Å; V190-T201 HydrophobicContact CG1-CG2 3.48Å; V190-T201 VanDerWaalsContact CG1-CG2 3.48Å; L191-T201 WeakPolarHBondContact O-CA 3.25Å; T192-T201 WeakPolarHBondContact CB-OG1 3.29Å; T192-T201 WeakPolarHBondContact CG2-OG1 3.37Å; T192-T201 WeakPolarHBondContact OG1-CG2 3.31Å; T192-T201 PolarHBondContact OG1-OG1 2.96Å; W198-T201 WeakPolarHBondContact O-CB 3.36Å; W198-T201 PolarHBondContact O-N 2.89Å; W198-T201 PolarHBondContact O-OG1 3.02Å; T201-F203 HydrophobicContact CG2-CE1 4.49Å; T201-F203 HydrophobicContact CG2-CE2 4.08Å; T201-F203 HydrophobicContact CG2-CZ 4.04Å; T201-M226 PolarHBondContact O-N 3Å
202L97.1Very high89.9Confident38 Ų3840.9 Ų40.920%0.19922%0.224CC..EExtended strand (participates in β ladder)trans-115.6127179.5-62.7179000110.7L191 T200 Y204 F224 T225L191-L202 PolarHBondContact N-O 3.25Å; L191-L202 PolarHBondContact O-N 2.9Å; T200-L202 PolarHBondContact O-N 3.08Å; L202-Y204 HydrophobicContact CB-CD2 4Å; L202-Y204 HydrophobicContact CB-CE2 3.6Å; L202-Y204 HydrophobicContact CD1-CE2 3.89Å; L202-Y204 HydrophobicContact CG-CE2 4.41Å; L202-F224 WeakPolarHBondContact CA-O 3.45Å; L202-T225 HydrophobicContact CD2-CG2 3.81Å
203F98.3Very high88.4Confident0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-97103.8177.5-58.6-92.2000108.4I107 F126 I145 M188 V190 T201 S223 F224 M226 V229I107-F203 HydrophobicContact CD1-CE1 3.9Å; I107-F203 HydrophobicContact CD1-CZ 3.61Å; F126-F203 AromaticContact CE1-CD1 3.83Å; F126-F203 HydrophobicContact CE1-CD1 3.83Å; F126-F203 HydrophobicContact CE1-CE1 4.21Å; F126-F203 AromaticContact CZ-CD1 3.65Å; F126-F203 HydrophobicContact CZ-CD1 3.65Å; F126-F203 AromaticContact CZ-CE1 3.83Å; F126-F203 HydrophobicContact CZ-CE1 3.83Å; I145-F203 HydrophobicContact CD1-CD1 4.47Å; I145-F203 HydrophobicContact CD1-CE1 4.29Å; M188-F203 HydrophobicContact CE-CB 4.4Å; M188-F203 VanDerWaalsContact SD-C 3.55Å; M188-F203 HydrophobicContact SD-CB 3.68Å; V190-F203 HydrophobicContact CG1-CD1 4.15Å; V190-F203 HydrophobicContact CG1-CE1 3.97Å; V190-F203 HydrophobicContact CG2-CD1 3.82Å; V190-F203 HydrophobicContact CG2-CE1 4.14Å; T201-F203 HydrophobicContact CG2-CE1 4.49Å; T201-F203 HydrophobicContact CG2-CE2 4.08Å; T201-F203 HydrophobicContact CG2-CZ 4.04Å; F203-S223 CarbonylContact O-C 3.53Å; F203-S223 VanDerWaalsContact O-CA 3.31Å; F203-S223 WeakPolarHBondContact O-CA 3.34Å; F203-F224 HydrophobicContact CB-CB 4.25Å; F203-F224 HydrophobicContact CB-CD2 4.32Å; F203-F224 PolarHBondContact N-O 2.76Å; F203-F224 WeakPolarHBondContact O-CD2 3.38Å; F203-F224 PolarHBondContact O-N 2.84Å; F203-M226 HydrophobicContact CE2-CB 4.39Å; F203-M226 HydrophobicContact CE2-SD 3.89Å; F203-M226 HydrophobicContact CZ-SD 3.89Å; F203-V229 HydrophobicContact CD2-CG2 4.06Å; F203-V229 HydrophobicContact CE2-CG2 3.88Å
204Y98.4Very high87.2Confident16 Ų1646.1 Ų46.16%0.06325%0.251CS..EExtended strand (participates in β ladder)trans-96.6101.2179.8-77.9-88.4000110.4F189 L191 L202 L301 V314 N325 L327F189-Y204 PolarHBondContact N-O 3.24Å; F189-Y204 PolarHBondContact O-N 3.09Å; L191-Y204 HydrophobicContact CB-CD2 4.27Å; L191-Y204 HydrophobicContact CB-CE2 4.3Å; L191-Y204 HydrophobicContact CD2-CE2 4Å; L202-Y204 HydrophobicContact CB-CD2 4Å; L202-Y204 HydrophobicContact CB-CE2 3.6Å; L202-Y204 HydrophobicContact CD1-CE2 3.89Å; L202-Y204 HydrophobicContact CG-CE2 4.41Å; Y204-L301 HydrophobicContact CD1-CD1 4.37Å; Y204-L301 HydrophobicContact CE1-CD1 3.83Å; Y204-V314 HydrophobicContact CD1-CG2 4.33Å; Y204-V314 HydrophobicContact CD2-CB 4.44Å; Y204-V314 HydrophobicContact CD2-CG1 4.37Å; Y204-V314 HydrophobicContact CD2-CG2 3.93Å; Y204-V314 HydrophobicContact CE2-CG1 4.18Å; Y204-V314 HydrophobicContact CG-CG2 3.81Å; Y204-N325 PolarHBondContact OH-ND2 3.36Å; Y204-L327 HydrophobicContact CD1-CD1 4.47Å; Y204-L327 HydrophobicContact CD1-CD2 4.25Å; Y204-L327 HydrophobicContact CD1-CG 4.46Å; Y204-L327 HydrophobicContact CE1-CD1 4.07Å; Y204-L327 HydrophobicContact CE1-CD2 4.42Å
205G98.1Very high85.5Confident0 Ų049.3 Ų49.30%028%0.28CS..EExtended strand (participates in β ladder)trans-104.6141.1-178.700000113.4D187 F207 V221 C222D187-G205 WeakPolarHBondContact O-CA 3.45Å; G205-F207 WeakPolarHBondContact O-CD2 3.45Å; G205-F207 WeakPolarHBondContact O-CE2 3.48Å; G205-V221 WeakPolarHBondContact O-CA 3.41Å; G205-C222 PolarHBondContact N-O 2.98Å; G205-C222 PolarHBondContact O-N 3.49Å
206V98.1Very high84.7Confident0 Ų049.4 Ų49.40%028%0.282CS..EExtended strand (participates in β ladder)trans-91.6131.7166.2169.80000109I185 Q186 D187 V221 Y309 I312 I329I185-V206 CarbonylContact C-O 3.49Å; I185-V206 WeakPolarHBondContact CA-O 3.29Å; Q186-V206 HydrophobicContact CB-CB 4.48Å; Q186-V206 HydrophobicContact CB-CG1 3.97Å; Q186-V206 HydrophobicContact CG-CG1 4.24Å; Q186-V206 PolarHBondContact N-O 3.47Å; D187-V206 PolarHBondContact O-N 2.87Å; V206-V221 HydrophobicContact CG2-CG2 4.31Å; V206-Y309 VanDerWaalsContact CG1-CB 3.46Å; V206-I312 HydrophobicContact CG2-CB 3.7Å; V206-I312 HydrophobicContact CG2-CD1 4.34Å; V206-I312 HydrophobicContact CG2-CG2 3.67Å; V206-I329 HydrophobicContact CG2-CG2 4.23Å
207F97.1Very high84.5Confident0 Ų048.4 Ų48.40%027%0.272CS..EExtended strand (participates in β ladder)trans-131.6141-179.2-59.8-96.1000112L171 C173 F182 I184 I185 M188 G205 S219 A220 C222 F224L171-F207 HydrophobicContact CB-CE1 4.41Å; L171-F207 HydrophobicContact CB-CZ 4.46Å; L171-F207 HydrophobicContact CD1-CZ 4.44Å; C173-F207 HydrophobicContact CB-CB 4.11Å; C173-F207 HydrophobicContact CB-CD1 4.15Å; C173-F207 HydrophobicContact CB-CD2 3.62Å; C173-F207 HydrophobicContact CB-CE2 4.05Å; C173-F207 HydrophobicContact CB-CG 3.69Å; F182-F207 HydrophobicContact CB-CB 3.58Å; I184-F207 CarbonylContact O-C 3.42Å; I184-F207 WeakPolarHBondContact O-CA 3.12Å; I185-F207 HydrophobicContact CB-CD1 3.93Å; I185-F207 HydrophobicContact CB-CE1 3.74Å; I185-F207 HydrophobicContact CD1-CE1 4.18Å; I185-F207 HydrophobicContact CD1-CZ 4.18Å; I185-F207 HydrophobicContact CG1-CD1 4.29Å; I185-F207 HydrophobicContact CG1-CE1 3.89Å; I185-F207 HydrophobicContact CG1-CZ 4.16Å; M188-F207 HydrophobicContact CE-CZ 4.38Å; G205-F207 WeakPolarHBondContact O-CD2 3.45Å; G205-F207 WeakPolarHBondContact O-CE2 3.48Å; F207-S219 WeakPolarHBondContact O-CA 3.4Å; F207-A220 PolarHBondContact N-O 3.1Å; F207-A220 PolarHBondContact O-N 3.32Å; F207-C222 HydrophobicContact CD2-CB 4.13Å; F207-C222 HydrophobicContact CE2-CB 3.91Å; F207-F224 AromaticContact CE2-CE2 3.65Å; F207-F224 HydrophobicContact CE2-CE2 3.65Å; F207-F224 AromaticContact CE2-CZ 3.84Å; F207-F224 HydrophobicContact CE2-CZ 3.84Å; F207-F224 AromaticContact CZ-CE2 3.57Å; F207-F224 HydrophobicContact CZ-CE2 3.57Å; F207-F224 AromaticContact CZ-CZ 3.67Å; F207-F224 HydrophobicContact CZ-CZ 3.67Å
208T94.4Very high84.6Confident13 Ų1344.9 Ų44.98%0.0825%0.254CS..EExtended strand (participates in β ladder)trans-113.5166.6166.5590000110F182 N183 I184 Q186 R308F182-T208 CarbonylContact C-O 3.57Å; F182-T208 VanDerWaalsContact C-O 3.27Å; F182-T208 WeakPolarHBondContact CA-O 3.36Å; N183-T208 PolarHBondContact N-O 2.82Å; N183-T208 VanDerWaalsContact N-O 3.11Å; I184-T208 PolarHBondContact N-O 3.36Å; I184-T208 PolarHBondContact O-N 2.83Å; I184-T208 PolarHBondContact O-OG1 3.09Å; Q186-T208 HydrophobicContact CG-CG2 3.78Å; T208-R308 HydrophobicContact CG2-CG 4.09Å
209S90.4Very high84.9Confident8 Ų844.2 Ų44.26%0.05625%0.251CS..  trans-105.1133.3178.6163.20000110.5W211 Y212S209-W211 PolarHBondContact O-N 3.21Å; S209-W211 PolarHBondContact OG-N 3.48Å; S209-Y212 PolarHBondContact O-N 2.72Å
210Q87.6Confident85.1Confident17 Ų1737.9 Ų37.98%0.07922%0.224CC..THydrogen-bonded Turntrans-65-17.3176.377.1175.531.900113.4N183 I184 K213N183-Q210 VanDerWaalsContact ND2-CD 3.33Å; N183-Q210 WeakPolarHBondContact ND2-CG 3.29Å; N183-Q210 PolarHBondContact ND2-OE1 3.45Å; N183-Q210 PolarHBondContact OD1-N 2.86Å; I184-Q210 HydrophobicContact CD1-CB 3.73Å; I184-Q210 HydrophobicContact CG1-CB 4.17Å; Q210-K213 WeakPolarHBondContact O-CE 3.43Å
211W82.9Confident85.3Confident77 Ų7734.5 Ų34.529%0.29220%0.203SC..THydrogen-bonded Turntrans-92-23.1-177.8-60.4-82.4000112.9F180 P181 N183 S209 K213F180-W211 HydrophobicContact CB-CE3 4.21Å; F180-W211 HydrophobicContact CD1-CB 4.3Å; F180-W211 AromaticContact CD1-CD2 3.58Å; F180-W211 HydrophobicContact CD1-CD2 3.58Å; F180-W211 AromaticContact CD1-CE2 3.93Å; F180-W211 AromaticContact CD1-CE3 3.92Å; F180-W211 HydrophobicContact CD1-CE3 3.92Å; F180-W211 AromaticContact CD1-CG 3.75Å; F180-W211 HydrophobicContact CD1-CG 3.75Å; F180-W211 HydrophobicContact CE1-CD2 4.23Å; F180-W211 HydrophobicContact CE1-CG 4.13Å; F180-W211 HydrophobicContact CG-CD2 4.49Å; P181-W211 HydrophobicContact CG-CH2 4.26Å; P181-W211 HydrophobicContact CG-CZ3 3.91Å; N183-W211 HydrophobicContact CB-CZ3 4.27Å; S209-W211 PolarHBondContact O-N 3.21Å; S209-W211 PolarHBondContact OG-N 3.48Å; W211-K213 PolarHBondContact O-N 2.86Å
212Y74.2Confident85.3Confident92 Ų9234.5 Ų34.536%0.36120%0.203SC..  trans-94.657.4178.2-60.3-45.4000112.6S209S209-Y212 PolarHBondContact O-N 2.72Å
213K61.6Low85.3Confident185 Ų18533.9 Ų33.980%0.80420%0.202SC*.  trans-79.7130.7176.3-67.7173.5178.9166.70111.3Q210 W211Q210-K213 WeakPolarHBondContact O-CE 3.43Å; W211-K213 PolarHBondContact O-N 2.86Å
214G59Low85.3Confident61 Ų6133.9 Ų33.963%0.62920%0.202SC*.SBendtrans121.5-166.9174.200000113.8S216 G217G214-S216 PolarHBondContact O-N 2.96Å; G214-S216 VanDerWaalsContact O-N 3.11Å; G214-G217 PolarHBondContact O-N 2.98Å
215A48.5Very low85.2Confident105 Ų10535.7 Ų35.787%0.86822%0.215SC*.THydrogen-bonded Turntrans-64.2-13.4-177.200000114.8G217A215-G217 VanDerWaalsContact C-N 3.27Å
216S60Low85.1Confident83 Ų8335.8 Ų35.858%0.5822%0.215SC*.THydrogen-bonded Turntrans-90.317.3172.8-46.70000113.2G214 S218G214-S216 PolarHBondContact O-N 2.96Å; G214-S216 VanDerWaalsContact O-N 3.11Å; S216-S218 PolarHBondContact O-N 2.65Å; S216-S218 PolarHBondContact O-OG 3.37Å
217G74.1Confident85.1Confident15 Ų1540.6 Ų40.616%0.15524%0.241CC..  trans-49.8130.8-177.800000112.1G214 A215 N306 V307G214-G217 PolarHBondContact O-N 2.98Å; A215-G217 VanDerWaalsContact C-N 3.27Å; G217-N306 CarbonylContact O-C 3.55Å; G217-N306 WeakPolarHBondContact O-CA 3.32Å; G217-N306 PolarHBondContact O-N 2.78Å; G217-V307 PolarHBondContact O-N 3.39Å
218S88.3Confident85.1Confident14 Ų1444.7 Ų44.710%0.09826%0.259CS..  trans-123.1140.1-176-64.70000110.5F182 S216 K304 R305F182-S218 WeakPolarHBondContact CE1-O 3.28Å; S216-S218 PolarHBondContact O-N 2.65Å; S216-S218 PolarHBondContact O-OG 3.37Å; S218-K304 WeakPolarHBondContact CA-O 3.2Å; S218-R305 WeakPolarHBondContact OG-CA 3.37Å
219S94.3Very high85.3Confident0 Ų044 Ų440%026%0.255CS..EExtended strand (participates in β ladder)trans-123.2146.8-176.9-54.40000112.2F207 L303 K304 V307 R308 Y309F207-S219 WeakPolarHBondContact O-CA 3.4Å; S219-L303 WeakPolarHBondContact O-CA 3.41Å; S219-K304 PolarHBondContact N-O 2.9Å; S219-K304 PolarHBondContact O-N 3.21Å; S219-V307 PolarHBondContact OG-O 3.01Å; S219-R308 VanDerWaalsContact OG-CA 3.24Å; S219-R308 WeakPolarHBondContact OG-CA 3.41Å; S219-Y309 PolarHBondContact OG-N 3.22Å
220A95.4Very high85.5Confident0 Ų046 Ų460%026%0.263CS..EExtended strand (participates in β ladder)trans-120.3146.7170.500000110.9F182 F207 P300 L302F182-A220 HydrophobicContact CB-CB 3.99Å; F182-A220 HydrophobicContact CD1-CB 3.7Å; F182-A220 HydrophobicContact CD2-CB 3.62Å; F182-A220 HydrophobicContact CE1-CB 4.05Å; F182-A220 HydrophobicContact CE2-CB 3.99Å; F182-A220 HydrophobicContact CG-CB 3.48Å; F182-A220 VanDerWaalsContact CG-CB 3.48Å; F182-A220 HydrophobicContact CZ-CB 4.19Å; F207-A220 PolarHBondContact N-O 3.1Å; F207-A220 PolarHBondContact O-N 3.32Å; A220-P300 HydrophobicContact CB-CB 3.9Å; A220-P300 HydrophobicContact CB-CG 3.86Å; A220-L302 CarbonylContact C-O 3.54Å; A220-L302 VanDerWaalsContact CA-O 3.29Å; A220-L302 WeakPolarHBondContact CA-O 3.38Å
221V97.4Very high86Confident0 Ų052.4 Ų52.40%029%0.291CS..EExtended strand (participates in β ladder)trans-111.5123.2164.4-1750000108.3G205 V206 P300 L301 L302 Y309 I312 L327 I329G205-V221 WeakPolarHBondContact O-CA 3.41Å; V206-V221 HydrophobicContact CG2-CG2 4.31Å; V221-P300 CarbonylContact O-C 3.46Å; V221-P300 WeakPolarHBondContact O-CA 3.47Å; V221-L301 PolarHBondContact O-N 2.56Å; V221-L302 HydrophobicContact CB-CB 4.28Å; V221-L302 HydrophobicContact CG2-CB 4.34Å; V221-L302 PolarHBondContact N-O 2.94Å; V221-Y309 HydrophobicContact CG2-CD2 4.18Å; V221-Y309 HydrophobicContact CG2-CE2 4.33Å; V221-I312 HydrophobicContact CG1-CD1 3.62Å; V221-L327 HydrophobicContact CG1-CD2 3.89Å; V221-I329 HydrophobicContact CG2-CD1 3.99Å
222C97.1Very high86.7Confident0 Ų048.9 Ų48.90%028%0.278CS..EExtended strand (participates in β ladder)trans-118.5139.7178.4-870000110.9C173 G205 F207 F224 Q299C173-C222 WeakPolarHBondContact CA-SG 3.44Å; C173-C222 HydrophobicContact CB-CB 3.75Å; C173-C222 WeakPolarHBondContact CB-SG 3.19Å; C173-C222 WeakPolarHBondContact SG-CB 3.45Å; C173-C222 CovalentContact SG-SG 2.03Å; C173-C222 PolarHBondContact SG-SG 3.02Å; G205-C222 PolarHBondContact N-O 2.98Å; G205-C222 PolarHBondContact O-N 3.49Å; F207-C222 HydrophobicContact CD2-CB 4.13Å; F207-C222 HydrophobicContact CE2-CB 3.91Å; C222-F224 HydrophobicContact CB-CE1 4.46Å; C222-F224 HydrophobicContact CB-CE2 3.97Å; C222-F224 HydrophobicContact CB-CZ 3.76Å; C222-Q299 PolarHBondContact SG-O 2.85Å; C222-Q299 VanDerWaalsContact SG-O 3.42Å
223S96.8Very high87.8Confident25 Ų2544.5 Ų44.518%0.17526%0.261CS..EExtended strand (participates in β ladder)trans-105.2131.4169.660.50000111.2F203 S298F203-S223 CarbonylContact O-C 3.53Å; F203-S223 VanDerWaalsContact O-CA 3.31Å; F203-S223 WeakPolarHBondContact O-CA 3.34Å; S223-S298 WeakPolarHBondContact O-CB 2.96Å; S223-S298 PolarHBondContact O-OG 3.18Å
224F97.8Very high89.4Confident0 Ų039.9 Ų39.90%025%0.245CC..EExtended strand (participates in β ladder)trans-113.5146.5172.3-44.2-91.5000110.1L171 M188 L202 F203 F207 C222 I296 S298L171-F224 HydrophobicContact CB-CZ 4.36Å; L171-F224 HydrophobicContact CD2-CD1 4.27Å; L171-F224 HydrophobicContact CD2-CD2 4.12Å; L171-F224 HydrophobicContact CD2-CE1 4.31Å; L171-F224 HydrophobicContact CD2-CE2 4.19Å; L171-F224 HydrophobicContact CD2-CG 4.16Å; L171-F224 HydrophobicContact CD2-CZ 4.28Å; M188-F224 HydrophobicContact CE-CD2 4.38Å; M188-F224 HydrophobicContact CE-CE2 4.27Å; L202-F224 WeakPolarHBondContact CA-O 3.45Å; F203-F224 HydrophobicContact CB-CB 4.25Å; F203-F224 HydrophobicContact CB-CD2 4.32Å; F203-F224 PolarHBondContact N-O 2.76Å; F203-F224 WeakPolarHBondContact O-CD2 3.38Å; F203-F224 PolarHBondContact O-N 2.84Å; F207-F224 AromaticContact CE2-CE2 3.65Å; F207-F224 HydrophobicContact CE2-CE2 3.65Å; F207-F224 AromaticContact CE2-CZ 3.84Å; F207-F224 HydrophobicContact CE2-CZ 3.84Å; F207-F224 AromaticContact CZ-CE2 3.57Å; F207-F224 HydrophobicContact CZ-CE2 3.57Å; F207-F224 AromaticContact CZ-CZ 3.67Å; F207-F224 HydrophobicContact CZ-CZ 3.67Å; C222-F224 HydrophobicContact CB-CE1 4.46Å; C222-F224 HydrophobicContact CB-CE2 3.97Å; C222-F224 HydrophobicContact CB-CZ 3.76Å; F224-I296 HydrophobicContact CB-CG2 4.14Å; F224-I296 HydrophobicContact CD1-CG2 3.74Å; F224-I296 WeakPolarHBondContact CE1-O 3.41Å; F224-I296 HydrophobicContact CG-CG2 4.19Å; F224-S298 VanDerWaalsContact CE1-CB 3.46Å
225T97.2Very high91.2Very high55 Ų5538 Ų3834%0.33723%0.225SC..EExtended strand (participates in β ladder)trans-98.5147.7-179.850.80000111.1L202 D227 K228 V229L202-T225 HydrophobicContact CD2-CG2 3.81Å; T225-D227 VanDerWaalsContact C-N 3.28Å; T225-D227 PolarHBondContact O-N 3.39Å; T225-K228 PolarHBondContact O-N 3.3Å; T225-K228 VanDerWaalsContact O-N 3.07Å; T225-K228 WeakPolarHBondContact OG1-CG 3.49Å; T225-V229 PolarHBondContact O-N 3.24Å
226M96.1Very high93.5Very high1 Ų138.9 Ų38.91%0.00521%0.206CC..Hα-helixtrans-54.8-40.5176.1-169.259.8166.800112.9I107 E109 Y124 W198 T201 F203 K228 V229 E230I107-M226 HydrophobicContact CD1-CE 4.5Å; I107-M226 HydrophobicContact CG2-CE 4.48Å; E109-M226 HydrophobicContact CG-CE 4.21Å; E109-M226 WeakPolarHBondContact OE1-CE 3.35Å; Y124-M226 HydrophobicContact CE2-CE 4.39Å; Y124-M226 WeakPolarHBondContact OH-CE 3.42Å; W198-M226 HydrophobicContact CE3-CE 3.78Å; W198-M226 HydrophobicContact CE3-CG 4Å; W198-M226 HydrophobicContact CZ3-CE 3.66Å; W198-M226 HydrophobicContact CZ3-CG 3.99Å; T201-M226 PolarHBondContact O-N 3Å; F203-M226 HydrophobicContact CE2-CB 4.39Å; F203-M226 HydrophobicContact CE2-SD 3.89Å; F203-M226 HydrophobicContact CZ-SD 3.89Å; M226-K228 VanDerWaalsContact C-N 3.33Å; M226-K228 PolarHBondContact O-N 2.64Å; M226-V229 CarbonylContact O-C 3.48Å; M226-V229 WeakPolarHBondContact O-CA 3.1Å; M226-V229 WeakPolarHBondContact O-CB 3.37Å; M226-V229 PolarHBondContact O-N 2.7Å; M226-V229 HydrophobicContact SD-CB 4.38Å; M226-V229 HydrophobicContact SD-CG1 4.44Å; M226-E230 HydrophobicContact CE-CG 4.33Å; M226-E230 HydrophobicContact CG-CG 4.27Å; M226-E230 PolarHBondContact O-N 2.85Å
227D96.8Very high95.3Very high102 Ų10235 Ų3555%0.54518%0.179SC..Hα-helixtrans-49.6-47.5172.316383.8000113.3T225 V229 K231T225-D227 VanDerWaalsContact C-N 3.28Å; T225-D227 PolarHBondContact O-N 3.39Å; D227-V229 VanDerWaalsContact C-N 3.3Å; D227-V229 PolarHBondContact O-N 2.97Å; D227-K231 WeakPolarHBondContact O-CB 3.05Å; D227-K231 PolarHBondContact O-N 3.37Å
228K97.5Very high96.3Very high85 Ų8536.9 Ų36.937%0.3718%0.182SC..Hα-helixtrans-66.5-34.7178.4-74.2178.2174.6-177.70111.9T225 M226 A232 I296 R297T225-K228 PolarHBondContact O-N 3.3Å; T225-K228 VanDerWaalsContact O-N 3.07Å; T225-K228 WeakPolarHBondContact OG1-CG 3.49Å; M226-K228 VanDerWaalsContact C-N 3.33Å; M226-K228 PolarHBondContact O-N 2.64Å; K228-A232 WeakPolarHBondContact O-CB 3.09Å; K228-A232 PolarHBondContact O-N 2.89Å; K228-A232 VanDerWaalsContact O-N 3.1Å; K228-I296 HydrophobicContact CB-CG2 4.23Å; K228-R297 PolarHBondContact NZ-O 3Å
229V97.8Very high96.6Very high0 Ų038.4 Ų38.40%019%0.187CC..Hα-helixtrans-69.3-51.7178.3175.60000110.3Y124 I145 F203 T225 M226 D227 K231 A232 F233 I296Y124-V229 HydrophobicContact CE1-CG1 3.82Å; I145-V229 HydrophobicContact CD1-CG1 3.78Å; I145-V229 HydrophobicContact CD1-CG2 4.05Å; F203-V229 HydrophobicContact CD2-CG2 4.06Å; F203-V229 HydrophobicContact CE2-CG2 3.88Å; T225-V229 PolarHBondContact O-N 3.24Å; M226-V229 CarbonylContact O-C 3.48Å; M226-V229 WeakPolarHBondContact O-CA 3.1Å; M226-V229 WeakPolarHBondContact O-CB 3.37Å; M226-V229 PolarHBondContact O-N 2.7Å; M226-V229 HydrophobicContact SD-CB 4.38Å; M226-V229 HydrophobicContact SD-CG1 4.44Å; D227-V229 VanDerWaalsContact C-N 3.3Å; D227-V229 PolarHBondContact O-N 2.97Å; V229-K231 PolarHBondContact O-N 3.43Å; V229-A232 PolarHBondContact O-N 3.19Å; V229-F233 HydrophobicContact CG1-CD2 3.78Å; V229-F233 HydrophobicContact CG1-CE2 3.64Å; V229-F233 WeakPolarHBondContact O-CD2 3.08Å; V229-F233 PolarHBondContact O-N 2.88Å; V229-F233 VanDerWaalsContact O-N 3.08Å; V229-I296 HydrophobicContact CG2-CD1 4.32Å; V229-I296 HydrophobicContact CG2-CG2 4.39Å
230E95.8Very high96.4Very high50 Ų5039.1 Ų39.123%0.23419%0.191CC..Hα-helixtrans-56-49.2174.2-72.4-171.281.400111.3M226 A232 F233 N234M226-E230 HydrophobicContact CE-CG 4.33Å; M226-E230 HydrophobicContact CG-CG 4.27Å; M226-E230 PolarHBondContact O-N 2.85Å; E230-A232 VanDerWaalsContact C-N 3.26Å; E230-A232 PolarHBondContact O-N 3.19Å; E230-F233 PolarHBondContact O-N 3.27Å; E230-N234 VanDerWaalsContact O-CB 3.25Å; E230-N234 WeakPolarHBondContact O-CB 3.37Å; E230-N234 PolarHBondContact O-N 3.4Å; E230-N234 PolarHBondContact O-ND2 2.85Å
231K97.3Very high96.1Very high151 Ų15141.6 Ų41.666%0.65721%0.205SC*.Hα-helixtrans-59.3-34.9178.9-174.4172.1-175.4170.80113D227 V229 G235D227-K231 WeakPolarHBondContact O-CB 3.05Å; D227-K231 PolarHBondContact O-N 3.37Å; V229-K231 PolarHBondContact O-N 3.43Å; K231-G235 PolarHBondContact O-N 2.95Å; K231-G235 VanDerWaalsContact O-N 3.09Å
232A97.9Very high95.6Very high3 Ų348.6 Ų48.63%0.02523%0.231CC..Hα-helixtrans-71.9-45.417600000112.4A169 K228 V229 E230 N234 G235 M292 I296A169-A232 HydrophobicContact CB-CB 4.44Å; K228-A232 WeakPolarHBondContact O-CB 3.09Å; K228-A232 PolarHBondContact O-N 2.89Å; K228-A232 VanDerWaalsContact O-N 3.1Å; V229-A232 PolarHBondContact O-N 3.19Å; E230-A232 VanDerWaalsContact C-N 3.26Å; E230-A232 PolarHBondContact O-N 3.19Å; A232-N234 VanDerWaalsContact C-N 3.28Å; A232-N234 PolarHBondContact O-N 2.7Å; A232-G235 PolarHBondContact O-N 3.46Å; A232-G235 VanDerWaalsContact O-N 3.09Å; A232-M292 WeakPolarHBondContact O-CE 3.32Å; A232-I296 HydrophobicContact CB-CD1 3.74Å; A232-I296 HydrophobicContact CB-CG1 3.41Å; A232-I296 VanDerWaalsContact CB-CG1 3.41Å
233F97.5Very high95.1Very high0 Ų057.3 Ų57.30%027%0.272CS..Hα-helixtrans-70-22.9176.1-72.1-64.2000113.8Y124 I145 R147 L167 A169 V229 E230 R258 M292Y124-F233 HydrophobicContact CE1-CE2 4.07Å; I145-F233 HydrophobicContact CG2-CE2 4.37Å; I145-F233 HydrophobicContact CG2-CZ 4.29Å; R147-F233 HydrophobicContact CB-CZ 4.38Å; R147-F233 HydrophobicContact CG-CD1 4.38Å; R147-F233 HydrophobicContact CG-CD2 4.5Å; R147-F233 HydrophobicContact CG-CE1 4.15Å; R147-F233 HydrophobicContact CG-CE2 4.26Å; R147-F233 HydrophobicContact CG-CZ 4.07Å; R147-F233 VanDerWaalsContact CZ-CB 3.5Å; L167-F233 HydrophobicContact CB-CD1 3.69Å; L167-F233 HydrophobicContact CB-CE1 3.73Å; L167-F233 HydrophobicContact CD1-CD1 4.18Å; L167-F233 WeakPolarHBondContact O-CE1 3.16Å; A169-F233 HydrophobicContact CB-CE1 4.11Å; A169-F233 HydrophobicContact CB-CZ 4.16Å; V229-F233 HydrophobicContact CG1-CD2 3.78Å; V229-F233 HydrophobicContact CG1-CE2 3.64Å; V229-F233 WeakPolarHBondContact O-CD2 3.08Å; V229-F233 PolarHBondContact O-N 2.88Å; V229-F233 VanDerWaalsContact O-N 3.08Å; E230-F233 PolarHBondContact O-N 3.27Å; F233-R258 PolarHBondContact O-NH2 3.34Å; F233-M292 HydrophobicContact CD1-CG 3.76Å; F233-M292 HydrophobicContact CD1-SD 4.26Å; F233-M292 HydrophobicContact CE1-CG 4.19Å; F233-M292 WeakPolarHBondContact O-CE 3.4Å
234N95.9Very high94.7Very high88 Ų8859.5 Ų59.547%0.47128%0.284SS..THydrogen-bonded Turntrans-89.6-1.3171.8-63.1-20000112.8E230 A232 R258E230-N234 VanDerWaalsContact O-CB 3.25Å; E230-N234 WeakPolarHBondContact O-CB 3.37Å; E230-N234 PolarHBondContact O-N 3.4Å; E230-N234 PolarHBondContact O-ND2 2.85Å; A232-N234 VanDerWaalsContact C-N 3.28Å; A232-N234 PolarHBondContact O-N 2.7Å; N234-R258 PolarHBondContact O-NH1 2.87Å; N234-R258 PolarHBondContact O-NH2 3.41Å
235G96.4Very high94.2Very high21 Ų2165.2 Ų65.222%0.21631%0.311CS..SBendtrans-78.8-157.6179.400000114.6K231 A232 R258K231-G235 PolarHBondContact O-N 2.95Å; K231-G235 VanDerWaalsContact O-N 3.09Å; A232-G235 PolarHBondContact O-N 3.46Å; A232-G235 VanDerWaalsContact O-N 3.09Å; G235-R258 PolarHBondContact O-NH1 3.16Å; G235-R258 PolarHBondContact O-NH2 2.88Å
236R97.2Very high93.8Very high124 Ų12468.3 Ų68.347%0.46832%0.322SS..PPolyproline II helixtrans-78.8153.4173.1-63.5-177.1-59.5-1720.7111.4T249 N251 M292 D293R236-T249 HydrophobicContact CB-CG2 4.07Å; R236-T249 VanDerWaalsContact NE-CG2 3.32Å; R236-N251 PolarHBondContact NH1-OD1 3.25Å; R236-M292 WeakPolarHBondContact O-CE 3.46Å; R236-D293 HydrophobicContact CB-CB 4.02Å; R236-D293 IonicContact CZ-OD2 2.77Å; R236-D293 IonicContact NE-OD2 2.68Å; R236-D293 PolarHBondContact NE-OD2 3.41Å; R236-D293 IonicContact NH2-OD2 3.28Å; R236-D293 PolarHBondContact NH2-OD2 2.98Å; R236-D293 WeakPolarHBondContact O-CB 3.43Å; R236-D293 PolarHBondContact O-N 2.89Å
237Y97.9Very high93.6Very high1 Ų170.3 Ų70.30%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-89.3163.7171.7-56-92.1000110.6L167 Y250 V254 R258 P259 F285 H289 L291 M292L167-Y237 HydrophobicContact CD1-CE1 4.32Å; L167-Y237 HydrophobicContact CD2-CD1 4.31Å; L167-Y237 HydrophobicContact CD2-CE1 3.81Å; Y237-Y250 WeakPolarHBondContact O-CB 3.38Å; Y237-Y250 PolarHBondContact O-N 2.82Å; Y237-V254 HydrophobicContact CD2-CG2 4.09Å; Y237-V254 HydrophobicContact CE2-CG1 3.91Å; Y237-V254 HydrophobicContact CE2-CG2 3.97Å; Y237-R258 WeakPolarHBondContact OH-CG 3.25Å; Y237-R258 PolarHBondContact OH-NE 3.32Å; Y237-R258 PolarHBondContact OH-NH2 2.82Å; Y237-P259 PolarHBondContact OH-O 2.96Å; Y237-F285 HydrophobicContact CD1-CE1 4.29Å; Y237-F285 AromaticContact CD2-CE1 3.74Å; Y237-F285 HydrophobicContact CD2-CE1 3.74Å; Y237-F285 HydrophobicContact CD2-CZ 4.01Å; Y237-F285 HydrophobicContact CE1-CE1 4.46Å; Y237-F285 AromaticContact CE2-CE1 3.97Å; Y237-F285 HydrophobicContact CE2-CE1 3.97Å; Y237-F285 HydrophobicContact CE2-CZ 4.44Å; Y237-F285 AromaticContact CG-CE1 3.93Å; Y237-F285 HydrophobicContact CG-CE1 3.93Å; Y237-F285 HydrophobicContact CG-CZ 4.43Å; Y237-H289 HydrophobicContact CD1-CB 4.23Å; Y237-H289 VanDerWaalsContact CD1-O 3.3Å; Y237-H289 WeakPolarHBondContact CD1-O 3.42Å; Y237-H289 HydrophobicContact CG-CB 4.28Å; Y237-L291 CarbonylContact C-O 3.44Å; Y237-L291 WeakPolarHBondContact CA-O 3.34Å; Y237-M292 HydrophobicContact CD1-CE 3.75Å; Y237-M292 HydrophobicContact CD1-SD 3.79Å; Y237-M292 HydrophobicContact CE1-CE 3.82Å; Y237-M292 HydrophobicContact CE1-SD 3.88Å; Y237-M292 HydrophobicContact CG-CE 4.17Å
238R95Very high93.4Very high55 Ų5570.1 Ų70.121%0.20832%0.321CS..EExtended strand (participates in β ladder)trans-102.7148.4158.9-68.7-167.6162.3-156.9-3.7110.4W247 Y248 L291 D293R238-W247 HydrophobicContact CB-CE3 3.87Å; R238-W247 HydrophobicContact CB-CZ3 4.33Å; R238-Y248 CarbonylContact C-O 3.55Å; R238-Y248 VanDerWaalsContact CA-O 3.24Å; R238-Y248 WeakPolarHBondContact CA-O 3.43Å; R238-Y248 WeakPolarHBondContact CB-O 3.46Å; R238-L291 HydrophobicContact CB-CB 4.48Å; R238-L291 HydrophobicContact CB-CD2 4.25Å; R238-L291 HydrophobicContact CB-CG 4.29Å; R238-L291 PolarHBondContact N-O 2.87Å; R238-D293 HydrophobicContact CG-CB 3.91Å; R238-D293 IonicContact CZ-OD1 2.69Å; R238-D293 IonicContact NE-OD1 2.68Å; R238-D293 PolarHBondContact NE-OD1 3.46Å; R238-D293 VanDerWaalsContact NE-OD1 3.16Å; R238-D293 IonicContact NH2-OD1 2.7Å
239E93.3Very high93.3Very high46 Ų4667.5 Ų67.522%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-117.3151.3173.1-169.4171.4-147.800108.1W247 Y248 Y250 H289E239-W247 WeakPolarHBondContact O-CA 3.5Å; E239-Y248 HydrophobicContact CB-CD2 4.33Å; E239-Y248 HydrophobicContact CB-CE1 4.36Å; E239-Y248 HydrophobicContact CB-CE2 3.73Å; E239-Y248 HydrophobicContact CG-CE1 4.48Å; E239-Y248 HydrophobicContact CG-CE2 4.19Å; E239-Y248 WeakPolarHBondContact CG-OH 3.31Å; E239-Y248 PolarHBondContact N-O 2.72Å; E239-Y248 PolarHBondContact O-N 2.87Å; E239-Y248 WeakPolarHBondContact OE2-CE2 3Å; E239-Y248 VanDerWaalsContact OE2-CZ 3.23Å; E239-Y248 PolarHBondContact OE2-OH 2.88Å; E239-Y250 HydrophobicContact CB-CD2 4.18Å; E239-Y250 WeakPolarHBondContact OE2-CD2 3.28Å; E239-H289 WeakPolarHBondContact CB-NE2 3.29Å; E239-H289 VanDerWaalsContact CD-NE2 3.26Å; E239-H289 VanDerWaalsContact CG-NE2 3.34Å; E239-H289 WeakPolarHBondContact CG-NE2 3.47Å; E239-H289 IonicContact OE1-CE1 2.84Å; E239-H289 PolarHBondContact OE1-CE1 3.32Å; E239-H289 VanDerWaalsContact OE1-CE1 3.3Å; E239-H289 IonicContact OE1-NE2 2.73Å; E239-H289 PolarHBondContact OE1-NE2 2.9Å; E239-H289 IonicContact OE2-NE2 3.19Å
240V91.3Very high93.2Very high14 Ų1469.1 Ų69.19%0.08532%0.319CS..EExtended strand (participates in β ladder)trans-111.5125.2176.2610000109.8L93 R242 W247L93-V240 HydrophobicContact CD1-CG1 4.2Å; L93-V240 HydrophobicContact CD2-CG1 4.4Å; V240-R242 PolarHBondContact O-N 2.96Å; V240-W247 HydrophobicContact CB-CD2 3.78Å; V240-W247 HydrophobicContact CB-CE3 3.85Å; V240-W247 HydrophobicContact CB-CG 4.42Å; V240-W247 HydrophobicContact CB-CH2 3.92Å; V240-W247 HydrophobicContact CB-CZ2 3.82Å; V240-W247 HydrophobicContact CB-CZ3 3.93Å; V240-W247 HydrophobicContact CG1-CH2 4.06Å; V240-W247 HydrophobicContact CG1-CZ2 4.16Å; V240-W247 HydrophobicContact CG1-CZ3 4.35Å; V240-W247 HydrophobicContact CG2-CD2 4.14Å; V240-W247 HydrophobicContact CG2-CG 4.41Å; V240-W247 HydrophobicContact CG2-CZ2 4.17Å
241N88.8Confident93.1Very high53 Ų5372 Ų7228%0.28334%0.336SS..  trans-67.6115.9169.5-177.4-45.9000107.9E243 T244 Q245 Q246 Y248N241-E243 PolarHBondContact O-N 2.59Å; N241-E243 WeakPolarHBondContact OD1-CA 3.42Å; N241-E243 WeakPolarHBondContact OD1-CB 3.48Å; N241-E243 PolarHBondContact OD1-N 2.98Å; N241-T244 WeakPolarHBondContact CB-OG1 3.27Å; N241-T244 PolarHBondContact OD1-N 2.74Å; N241-Q245 WeakPolarHBondContact O-CA 3.25Å; N241-Q245 PolarHBondContact O-N 3.45Å; N241-Q246 PolarHBondContact N-O 2.91Å; N241-Y248 HydrophobicContact CB-CE1 4.01Å
242R86.4Confident93Very high147 Ų14771 Ų7156%0.55533%0.333SS*.THydrogen-bonded Turntrans-67.6-22.5-176.3-68.1-176.1179.4157.50.8113.7L93 V240 Q245 D288L93-R242 HydrophobicContact CD2-CG 4.42Å; V240-R242 PolarHBondContact O-N 2.96Å; R242-Q245 PolarHBondContact O-NE2 2.86Å; R242-D288 IonicContact CZ-OD1 3.02Å; R242-D288 IonicContact CZ-OD2 2.67Å; R242-D288 IonicContact NH2-OD1 3.41Å; R242-D288 PolarHBondContact NH2-OD1 2.71Å; R242-D288 IonicContact NH2-OD2 2.81Å; R242-D288 PolarHBondContact NH2-OD2 2.91Å
243E87.7Confident92.8Very high182 Ų18276.4 Ų76.485%0.8537%0.368SS*.THydrogen-bonded Turntrans-85-47.8179.4-58.4177.2175.600111.6N241N241-E243 PolarHBondContact O-N 2.59Å; N241-E243 WeakPolarHBondContact OD1-CA 3.42Å; N241-E243 WeakPolarHBondContact OD1-CB 3.48Å; N241-E243 PolarHBondContact OD1-N 2.98Å
244T88Confident92.8Very high71 Ų7178.6 Ų78.644%0.43638%0.381SS..THydrogen-bonded Turntrans-91.3-10.2-178.471.40000114.1N241 Q246N241-T244 WeakPolarHBondContact CB-OG1 3.27Å; N241-T244 PolarHBondContact OD1-N 2.74Å; T244-Q246 PolarHBondContact O-N 2.91Å; T244-Q246 VanDerWaalsContact O-N 3.09Å; T244-Q246 WeakPolarHBondContact OG1-CB 3.27Å; T244-Q246 PolarHBondContact OG1-N 2.95Å; T244-Q246 PolarHBondContact OG1-OE1 2.89Å
245Q86.4Confident92.9Very high121 Ų12174.9 Ų74.957%0.56536%0.362SS*.  trans57.712.2-171.5-61.8-67.6-55.500114.6N241 R242N241-Q245 WeakPolarHBondContact O-CA 3.25Å; N241-Q245 PolarHBondContact O-N 3.45Å; R242-Q245 PolarHBondContact O-NE2 2.86Å
246Q88.8Confident92.8Very high120 Ų12080.7 Ų80.756%0.56138%0.384SS*.  trans-82.6139.7179.2-67171.7-35.900111.5N241 T244N241-Q246 PolarHBondContact N-O 2.91Å; T244-Q246 PolarHBondContact O-N 2.91Å; T244-Q246 VanDerWaalsContact O-N 3.09Å; T244-Q246 WeakPolarHBondContact OG1-CB 3.27Å; T244-Q246 PolarHBondContact OG1-N 2.95Å; T244-Q246 PolarHBondContact OG1-OE1 2.89Å
247W91.6Very high92.7Very high42 Ų4275.4 Ų75.416%0.15937%0.365CS..EExtended strand (participates in β ladder)trans-96.6132.3178.4-71.383.6000111.6K132 E133 R238 E239 V240 F290 L291K132-W247 VanDerWaalsContact O-CD1 3.25Å; E133-W247 HydrophobicContact CB-CB 3.65Å; E133-W247 HydrophobicContact CB-CD2 4.28Å; E133-W247 HydrophobicContact CB-CG 3.66Å; R238-W247 HydrophobicContact CB-CE3 3.87Å; R238-W247 HydrophobicContact CB-CZ3 4.33Å; E239-W247 WeakPolarHBondContact O-CA 3.5Å; V240-W247 HydrophobicContact CB-CD2 3.78Å; V240-W247 HydrophobicContact CB-CE3 3.85Å; V240-W247 HydrophobicContact CB-CG 4.42Å; V240-W247 HydrophobicContact CB-CH2 3.92Å; V240-W247 HydrophobicContact CB-CZ2 3.82Å; V240-W247 HydrophobicContact CB-CZ3 3.93Å; V240-W247 HydrophobicContact CG1-CH2 4.06Å; V240-W247 HydrophobicContact CG1-CZ2 4.16Å; V240-W247 HydrophobicContact CG1-CZ3 4.35Å; V240-W247 HydrophobicContact CG2-CD2 4.14Å; V240-W247 HydrophobicContact CG2-CG 4.41Å; V240-W247 HydrophobicContact CG2-CZ2 4.17Å; W247-F290 HydrophobicContact CH2-CE1 4Å; W247-F290 HydrophobicContact CH2-CE2 4.17Å; W247-F290 AromaticContact CH2-CZ 3.59Å; W247-F290 HydrophobicContact CH2-CZ 3.59Å; W247-F290 HydrophobicContact CZ2-CZ 4.18Å; W247-L291 HydrophobicContact CD2-CD2 4.3Å; W247-L291 HydrophobicContact CE3-CD2 3.91Å; W247-L291 HydrophobicContact CH2-CB 4.47Å; W247-L291 HydrophobicContact CH2-CD2 4.42Å; W247-L291 HydrophobicContact CZ3-CB 4.05Å; W247-L291 HydrophobicContact CZ3-CD2 3.98Å
248Y92.6Very high92.6Very high98 Ų9878 Ų7838%0.38438%0.375SS..EExtended strand (participates in β ladder)trans-133.9162.6177.257.9-88000111.3R238 E239 N241R238-Y248 CarbonylContact C-O 3.55Å; R238-Y248 VanDerWaalsContact CA-O 3.24Å; R238-Y248 WeakPolarHBondContact CA-O 3.43Å; R238-Y248 WeakPolarHBondContact CB-O 3.46Å; E239-Y248 HydrophobicContact CB-CD2 4.33Å; E239-Y248 HydrophobicContact CB-CE1 4.36Å; E239-Y248 HydrophobicContact CB-CE2 3.73Å; E239-Y248 HydrophobicContact CG-CE1 4.48Å; E239-Y248 HydrophobicContact CG-CE2 4.19Å; E239-Y248 WeakPolarHBondContact CG-OH 3.31Å; E239-Y248 PolarHBondContact N-O 2.72Å; E239-Y248 PolarHBondContact O-N 2.87Å; E239-Y248 WeakPolarHBondContact OE2-CE2 3Å; E239-Y248 VanDerWaalsContact OE2-CZ 3.23Å; E239-Y248 PolarHBondContact OE2-OH 2.88Å; N241-Y248 HydrophobicContact CB-CE1 4.01Å
249T95.5Very high92.7Very high30 Ų3075.4 Ų75.418%0.18437%0.365CS..EExtended strand (participates in β ladder)trans-75.7129.1177-49.60000111R236 N251 D293R236-T249 HydrophobicContact CB-CG2 4.07Å; R236-T249 VanDerWaalsContact NE-CG2 3.32Å; T249-N251 PolarHBondContact O-N 2.86Å; T249-N251 PolarHBondContact O-ND2 2.93Å; T249-D293 HydrophobicContact CG2-CB 3.96Å; T249-D293 VanDerWaalsContact CG2-OD2 3.28Å; T249-D293 WeakPolarHBondContact CG2-OD2 3.42Å; T249-D293 PolarHBondContact OG1-OD1 3.25Å
250Y95.6Very high92.8Very high35 Ų3573.3 Ų73.314%0.13736%0.356CS..  trans-74.1122173.4-166.7-98.4000110.6Y237 E239 H252 V254 F285 H289Y237-Y250 WeakPolarHBondContact O-CB 3.38Å; Y237-Y250 PolarHBondContact O-N 2.82Å; E239-Y250 HydrophobicContact CB-CD2 4.18Å; E239-Y250 WeakPolarHBondContact OE2-CD2 3.28Å; Y250-H252 HydrophobicContact CE1-CB 3.79Å; Y250-H252 WeakPolarHBondContact CE1-O 3.45Å; Y250-H252 HydrophobicContact CE2-CB 4.21Å; Y250-V254 HydrophobicContact CD1-CG2 4.41Å; Y250-V254 HydrophobicContact CE1-CG2 4.4Å; Y250-F285 HydrophobicContact CD1-CE2 4.18Å; Y250-F285 AromaticContact CD1-CZ 3.87Å; Y250-F285 HydrophobicContact CD1-CZ 3.87Å; Y250-F285 AromaticContact CE1-CE2 3.51Å; Y250-F285 HydrophobicContact CE1-CE2 3.51Å; Y250-F285 AromaticContact CE1-CZ 3.68Å; Y250-F285 HydrophobicContact CE1-CZ 3.68Å; Y250-F285 HydrophobicContact CE2-CE2 4.28Å; Y250-F285 HydrophobicContact CG-CZ 4.42Å; Y250-F285 AromaticContact CZ-CE2 3.55Å; Y250-H289 AromaticContact CD2-CD2 3.78Å; Y250-H289 AromaticContact CD2-NE2 3.15Å; Y250-H289 WeakPolarHBondContact CD2-NE2 3.36Å; Y250-H289 AromaticContact CE2-NE2 3.39Å; Y250-H289 WeakPolarHBondContact CE2-NE2 3.46Å; Y250-H289 AromaticContact CG-CD2 3.98Å; Y250-H289 AromaticContact CG-NE2 3.83Å
251N94.9Very high93Very high109 Ų10974 Ų7458%0.58336%0.363SS*.  trans-122.67.4-178.1-64-71.9000113.5R236 T249R236-N251 PolarHBondContact NH1-OD1 3.25Å; T249-N251 PolarHBondContact O-N 2.86Å; T249-N251 PolarHBondContact O-ND2 2.93Å
252H94.1Very high93.3Very high131 Ų13172 Ų7261%0.60635%0.353SS*.SBendtrans-89.1170.1176.1-60.9-65000111.6Y250 V254Y250-H252 HydrophobicContact CE1-CB 3.79Å; Y250-H252 WeakPolarHBondContact CE1-O 3.45Å; Y250-H252 HydrophobicContact CE2-CB 4.21Å; H252-V254 PolarHBondContact O-N 2.82Å
253P95.1Very high93.7Very high116 Ų11665.8 Ų65.875%0.75333%0.331SS*.PPolyproline II helixtrans-63.5117.5179.7-24.135.7000113.1
254V96.9Very high93.9Very high46 Ų4658.6 Ų58.628%0.27930%0.299SS..PPolyproline II helixtrans-66.2138.1171.2-179.60000109.1Y237 Y250 H252 P259 F285Y237-V254 HydrophobicContact CD2-CG2 4.09Å; Y237-V254 HydrophobicContact CE2-CG1 3.91Å; Y237-V254 HydrophobicContact CE2-CG2 3.97Å; Y250-V254 HydrophobicContact CD1-CG2 4.41Å; Y250-V254 HydrophobicContact CE1-CG2 4.4Å; H252-V254 PolarHBondContact O-N 2.82Å; V254-P259 HydrophobicContact CG1-CG 3.91Å; V254-F285 HydrophobicContact CG1-CE1 4.46Å; V254-F285 HydrophobicContact CG1-CZ 4.31Å; V254-F285 HydrophobicContact CG2-CZ 4.17Å
255P96.7Very high94Very high11 Ų1158.5 Ų58.57%0.07130%0.296CS..PPolyproline II helixtrans-73156.4176.531.2-35.6000111.8P259 K281 V282 F285P255-P259 HydrophobicContact CG-CG 3.89Å; P255-P259 WeakPolarHBondContact O-CD 3.47Å; P255-K281 HydrophobicContact CB-CD 4.08Å; P255-K281 HydrophobicContact CB-CG 4.18Å; P255-V282 HydrophobicContact CB-CG2 4.14Å; P255-V282 HydrophobicContact CG-CG2 4.29Å; P255-F285 HydrophobicContact CG-CB 3.9Å; P255-F285 HydrophobicContact CG-CD2 3.83Å; P255-F285 HydrophobicContact CG-CG 3.94Å
256E94.8Very high94.2Very high143 Ų14356.2 Ų56.267%0.66830%0.298SS*.SBendtrans-112.8146.6175.4-70.9-62.4157.700111.7R258E256-R258 PolarHBondContact OE2-N 2.89Å
257P94.7Very high94.3Very high13 Ų1351.2 Ų51.28%0.08428%0.276CS..SBendcis-64.3146.7-4.7-18.831.9000113T267 L270 I272 M278 V282P257-T267 HydrophobicContact CB-CG2 4.11Å; P257-T267 HydrophobicContact CG-CG2 4.42Å; P257-L270 HydrophobicContact CG-CD1 4.43Å; P257-I272 HydrophobicContact CG-CD1 3.53Å; P257-M278 HydrophobicContact CB-CE 4.41Å; P257-M278 HydrophobicContact CB-SD 4.43Å; P257-M278 HydrophobicContact CG-SD 4.33Å; P257-V282 VanDerWaalsContact O-CG1 3.26Å; P257-V282 WeakPolarHBondContact O-CG1 3.27Å; P257-V282 WeakPolarHBondContact O-CG2 3.48Å
258R95.9Very high94.3Very high56 Ų5653.2 Ų53.221%0.21129%0.285CS..  trans-44.3126-175.2-175.4179.1172.294.17.6113.6F233 N234 G235 Y237 E256 A261F233-R258 PolarHBondContact O-NH2 3.34Å; N234-R258 PolarHBondContact O-NH1 2.87Å; N234-R258 PolarHBondContact O-NH2 3.41Å; G235-R258 PolarHBondContact O-NH1 3.16Å; G235-R258 PolarHBondContact O-NH2 2.88Å; Y237-R258 WeakPolarHBondContact OH-CG 3.25Å; Y237-R258 PolarHBondContact OH-NE 3.32Å; Y237-R258 PolarHBondContact OH-NH2 2.82Å; E256-R258 PolarHBondContact OE2-N 2.89Å; R258-A261 HydrophobicContact CB-CB 4.42Å; R258-A261 VanDerWaalsContact O-CB 3.26Å; R258-A261 WeakPolarHBondContact O-CB 3.37Å; R258-A261 PolarHBondContact O-N 3.16Å
259P97.8Very high94.2Very high0 Ų051.8 Ų51.80%030%0.3CS..THydrogen-bonded Turntrans-58.1136.1177-22.331.5000112.8Y237 V254 P255 A261 V282 F285 V286Y237-P259 PolarHBondContact OH-O 2.96Å; V254-P259 HydrophobicContact CG1-CG 3.91Å; P255-P259 HydrophobicContact CG-CG 3.89Å; P255-P259 WeakPolarHBondContact O-CD 3.47Å; P259-A261 VanDerWaalsContact C-N 3.34Å; P259-V282 HydrophobicContact CB-CG1 4.16Å; P259-V282 HydrophobicContact CG-CG1 4.06Å; P259-F285 HydrophobicContact CB-CB 4.49Å; P259-F285 HydrophobicContact CB-CD1 3.67Å; P259-F285 HydrophobicContact CB-CE1 4.33Å; P259-F285 HydrophobicContact CB-CG 4.39Å; P259-F285 HydrophobicContact CG-CB 4.03Å; P259-F285 HydrophobicContact CG-CD1 3.36Å; P259-F285 HydrophobicContact CG-CE1 3.94Å; P259-F285 HydrophobicContact CG-CG 3.78Å; P259-V286 HydrophobicContact CB-CB 4.02Å
260G95.8Very high94Very high2 Ų256.5 Ų56.52%0.02132%0.324CS..THydrogen-bonded Turntrans75.914.9-179.500000115.4
261A94.6Very high93.9Very high29 Ų2957.6 Ų57.624%0.2435%0.346CS..  trans-92.9155.4173.800000112.6R258 P259R258-A261 HydrophobicContact CB-CB 4.42Å; R258-A261 VanDerWaalsContact O-CB 3.26Å; R258-A261 WeakPolarHBondContact O-CB 3.37Å; R258-A261 PolarHBondContact O-N 3.16Å; P259-A261 VanDerWaalsContact C-N 3.34Å
262C95.1Very high93.9Very high9 Ų953.2 Ų53.26%0.06132%0.322CS..  trans-79.8161.9175.6-50.20000112.1D120 K122 C149 T264D120-C262 HydrophobicContact CB-CB 4.38Å; K122-C262 VanDerWaalsContact CE-SG 3.5Å; C149-C262 HydrophobicContact CB-CB 3.81Å; C149-C262 WeakPolarHBondContact CB-SG 3.28Å; C149-C262 WeakPolarHBondContact SG-CA 3.45Å; C149-C262 WeakPolarHBondContact SG-CB 3.35Å; C149-C262 PolarHBondContact SG-N 2.69Å; C149-C262 VanDerWaalsContact SG-N 3.41Å; C149-C262 CovalentContact SG-SG 2.03Å; C149-C262 PolarHBondContact SG-SG 2.9Å; C262-T264 VanDerWaalsContact C-N 3.27Å; C262-T264 PolarHBondContact O-N 2.68Å
263I94.2Very high93.8Very high18 Ų1850.3 Ų50.39%0.09232%0.317CS..  trans-82.573.7-177-48.8-59.2000110.6T267 K268 I272I263-T267 VanDerWaalsContact C-OG1 3.28Å; I263-T267 WeakPolarHBondContact CA-OG1 3.3Å; I263-T267 WeakPolarHBondContact CG2-OG1 3.48Å; I263-K268 HydrophobicContact CG2-CG 4.01Å; I263-K268 WeakPolarHBondContact O-CE 3.46Å; I263-K268 PolarHBondContact O-NZ 2.71Å; I263-I272 HydrophobicContact CD1-CG2 4.28Å; I263-I272 VanDerWaalsContact CG2-O 3.24Å; I263-I272 WeakPolarHBondContact CG2-O 3.11Å
264T92.2Very high93.7Very high30 Ų3046 Ų4618%0.18429%0.289CS..BIsolated β-bridgetrans-66.2163.5177.563.40000112.7V117 C262 A266 T267 K268V117-T264 HydrophobicContact CG1-CG2 3.62Å; V117-T264 CarbonylContact O-C 3.59Å; V117-T264 VanDerWaalsContact O-CA 3.27Å; V117-T264 WeakPolarHBondContact O-CA 3.45Å; V117-T264 WeakPolarHBondContact O-CB 3.48Å; C262-T264 VanDerWaalsContact C-N 3.27Å; C262-T264 PolarHBondContact O-N 2.68Å; T264-A266 PolarHBondContact O-N 2.67Å; T264-T267 PolarHBondContact N-OG1 2.63Å; T264-T267 PolarHBondContact O-N 2.81Å; T264-T267 PolarHBondContact O-OG1 2.84Å; T264-T267 PolarHBondContact OG1-N 2.73Å; T264-K268 WeakPolarHBondContact O-CG 3.3Å; T264-K268 PolarHBondContact O-N 3.01Å
265N90.4Very high93.6Very high70 Ų7043.8 Ų43.837%0.37428%0.276SS..Hα-helixtrans-52.3-35.5173-66.1-21.4000112.5L116 V117 G118 K268 G269L116-N265 PolarHBondContact O-ND2 3.48Å; V117-N265 PolarHBondContact O-N 2.78Å; G118-N265 WeakPolarHBondContact CA-ND2 3.4Å; G118-N265 WeakPolarHBondContact CA-OD1 3.47Å; G118-N265 PolarHBondContact N-ND2 2.95Å; N265-K268 PolarHBondContact O-N 3.47Å; N265-G269 PolarHBondContact O-N 2.94Å
266A89.9Confident93.5Very high73 Ų7346.5 Ų46.560%0.60329%0.289SS*.Hα-helixtrans-63.7-45.4174.900000112T264 G269 L270T264-A266 PolarHBondContact O-N 2.67Å; A266-G269 PolarHBondContact O-N 3.33Å; A266-L270 PolarHBondContact O-N 3.12Å
267T91.9Very high93.5Very high15 Ų1544.5 Ų44.59%0.09228%0.28CS..Hα-helixtrans-67.3-35.3175.761.40000112.7P257 I263 T264 G269 L270 I272P257-T267 HydrophobicContact CB-CG2 4.11Å; P257-T267 HydrophobicContact CG-CG2 4.42Å; I263-T267 VanDerWaalsContact C-OG1 3.28Å; I263-T267 WeakPolarHBondContact CA-OG1 3.3Å; I263-T267 WeakPolarHBondContact CG2-OG1 3.48Å; T264-T267 PolarHBondContact N-OG1 2.63Å; T264-T267 PolarHBondContact O-N 2.81Å; T264-T267 PolarHBondContact O-OG1 2.84Å; T264-T267 PolarHBondContact OG1-N 2.73Å; T267-G269 VanDerWaalsContact C-N 3.28Å; T267-G269 PolarHBondContact O-N 2.97Å; T267-L270 WeakPolarHBondContact O-CA 3.42Å; T267-L270 WeakPolarHBondContact O-CB 3.44Å; T267-L270 PolarHBondContact O-N 3.27Å; T267-I272 CarbonylContact C-O 3.59Å; T267-I272 PolarHBondContact O-N 3.47Å; T267-I272 VanDerWaalsContact O-N 3.16Å
268K91.9Very high93.6Very high83 Ų8344.5 Ų44.536%0.36128%0.279SS..Hα-helixtrans-62.4-36.4172.3-66.9170.1179.31610111.5I263 T264 N265 L270 G271 I272I263-K268 HydrophobicContact CG2-CG 4.01Å; I263-K268 WeakPolarHBondContact O-CE 3.46Å; I263-K268 PolarHBondContact O-NZ 2.71Å; T264-K268 WeakPolarHBondContact O-CG 3.3Å; T264-K268 PolarHBondContact O-N 3.01Å; N265-K268 PolarHBondContact O-N 3.47Å; K268-L270 PolarHBondContact O-N 3.35Å; K268-G271 PolarHBondContact O-N 2.91Å; K268-I272 WeakPolarHBondContact CA-O 3.28Å
269G90.9Very high93.7Very high68 Ų6844.4 Ų44.470%0.70129%0.286SS*.Hα-helixtrans-64.6-20.4171.600000114.8N265 A266 T267 G271N265-G269 PolarHBondContact O-N 2.94Å; A266-G269 PolarHBondContact O-N 3.33Å; T267-G269 VanDerWaalsContact C-N 3.28Å; T267-G269 PolarHBondContact O-N 2.97Å; G269-G271 VanDerWaalsContact C-N 3.29Å
270L91.7Very high93.6Very high129 Ų12946.9 Ų46.968%0.67530%0.299SS*.THydrogen-bonded Turntrans-88.68.8171.1-58.6174.8000112.8P257 A266 T267 K268 I272P257-L270 HydrophobicContact CG-CD1 4.43Å; A266-L270 PolarHBondContact O-N 3.12Å; T267-L270 WeakPolarHBondContact O-CA 3.42Å; T267-L270 WeakPolarHBondContact O-CB 3.44Å; T267-L270 PolarHBondContact O-N 3.27Å; K268-L270 PolarHBondContact O-N 3.35Å; L270-I272 VanDerWaalsContact C-N 3.3Å; L270-I272 PolarHBondContact O-N 3.19Å
271G92.9Very high93.7Very high58 Ų5854.3 Ų54.360%0.59833%0.331SS*.THydrogen-bonded Turntrans83.8-4.8-176.300000114.8K268 G269 S273K268-G271 PolarHBondContact O-N 2.91Å; G269-G271 VanDerWaalsContact C-N 3.29Å; G271-S273 PolarHBondContact O-N 2.87Å; G271-S273 VanDerWaalsContact O-N 3.11Å
272I94.4Very high93.8Very high17 Ų1753.1 Ų53.19%0.08732%0.32CS..  trans-85.889-178.6-59.6168.4000108.4P257 I263 T267 K268 L270 H277 P279P257-I272 HydrophobicContact CG-CD1 3.53Å; I263-I272 HydrophobicContact CD1-CG2 4.28Å; I263-I272 VanDerWaalsContact CG2-O 3.24Å; I263-I272 WeakPolarHBondContact CG2-O 3.11Å; T267-I272 CarbonylContact C-O 3.59Å; T267-I272 PolarHBondContact O-N 3.47Å; T267-I272 VanDerWaalsContact O-N 3.16Å; K268-I272 WeakPolarHBondContact CA-O 3.28Å; L270-I272 VanDerWaalsContact C-N 3.3Å; L270-I272 PolarHBondContact O-N 3.19Å; I272-H277 HydrophobicContact CG2-CB 4.34Å; I272-P279 HydrophobicContact CD1-CG 4.4Å
273S92.4Very high94Very high71 Ų7152.8 Ų52.850%0.49732%0.318SS..  trans-82-17.1-175.856.80000115.3G271 H277G271-S273 PolarHBondContact O-N 2.87Å; G271-S273 VanDerWaalsContact O-N 3.11Å; S273-H277 PolarHBondContact OG-CE1 2.89Å; S273-H277 PolarHBondContact OG-ND1 3.21Å
274S93.1Very high94.1Very high24 Ų2455.4 Ų55.417%0.16833%0.332CS..SBendtrans-157170179.571.70000111.3L276 H277S274-L276 PolarHBondContact O-N 3.31Å; S274-L276 PolarHBondContact OG-N 3.38Å; S274-H277 PolarHBondContact O-N 2.98Å; S274-H277 VanDerWaalsContact O-N 3.13Å
275S94.3Very high94.3Very high1 Ų154.8 Ų54.81%0.00733%0.327CS..G310 helixtrans-66.4-18.4176.747.70000114.7D152 I153 G154 T164 H277 M278D152-S275 WeakPolarHBondContact OD1-CB 3.4Å; D152-S275 PolarHBondContact OD1-OG 2.94Å; I153-S275 PolarHBondContact N-OG 2.76Å; G154-S275 PolarHBondContact N-OG 2.9Å; G154-S275 CarbonylContact O-C 3.59Å; G154-S275 PolarHBondContact O-OG 2.04Å; T164-S275 WeakPolarHBondContact OG1-CB 3.12Å; S275-H277 VanDerWaalsContact C-N 3.26Å; S275-H277 PolarHBondContact O-N 2.6Å; S275-M278 VanDerWaalsContact O-CB 3.25Å; S275-M278 WeakPolarHBondContact O-CB 3.49Å; S275-M278 PolarHBondContact O-N 2.7Å
276L94.8Very high94.6Very high67 Ų6751.5 Ų51.535%0.35131%0.309SS..G310 helixtrans-62.1-37.1171.3-67172000111.4I153 G154 E156 S274 M278I153-L276 HydrophobicContact CD1-CD1 3.65Å; I153-L276 HydrophobicContact CD1-CG 3.74Å; I153-L276 HydrophobicContact CG1-CD1 4.45Å; I153-L276 HydrophobicContact CG1-CG 4.06Å; G154-L276 WeakPolarHBondContact O-CD2 3.39Å; G154-L276 PolarHBondContact O-N 3.27Å; E156-L276 WeakPolarHBondContact CB-O 3.3Å; S274-L276 PolarHBondContact O-N 3.31Å; S274-L276 PolarHBondContact OG-N 3.38Å; L276-M278 VanDerWaalsContact C-N 3.27Å; L276-M278 PolarHBondContact O-N 2.9Å
277H95.6Very high94.9Very high101 Ų10150.8 Ų50.847%0.46829%0.292SS..G310 helixtrans-85.27.5-179.6-56.5146.7000113.5I272 S273 S274 S275I272-H277 HydrophobicContact CG2-CB 4.34Å; S273-H277 PolarHBondContact OG-CE1 2.89Å; S273-H277 PolarHBondContact OG-ND1 3.21Å; S274-H277 PolarHBondContact O-N 2.98Å; S274-H277 VanDerWaalsContact O-N 3.13Å; S275-H277 VanDerWaalsContact C-N 3.26Å; S275-H277 PolarHBondContact O-N 2.6Å
278M96.6Very high95.1Very high13 Ų1351.8 Ų51.86%0.06430%0.297CS..SBendtrans-73.1130.3177.6-173.963.5112.400110.2P257 S275 L276 V282 L283P257-M278 HydrophobicContact CB-CE 4.41Å; P257-M278 HydrophobicContact CB-SD 4.43Å; P257-M278 HydrophobicContact CG-SD 4.33Å; S275-M278 VanDerWaalsContact O-CB 3.25Å; S275-M278 WeakPolarHBondContact O-CB 3.49Å; S275-M278 PolarHBondContact O-N 2.7Å; L276-M278 VanDerWaalsContact C-N 3.27Å; L276-M278 PolarHBondContact O-N 2.9Å; M278-V282 HydrophobicContact CE-CG1 3.87Å; M278-V282 HydrophobicContact CG-CB 4.09Å; M278-V282 HydrophobicContact CG-CG1 3.93Å; M278-V282 HydrophobicContact SD-CB 4.15Å; M278-V282 HydrophobicContact SD-CG1 3.79Å; M278-V282 HydrophobicContact SD-CG2 4.45Å; M278-L283 HydrophobicContact CB-CD1 4.41Å; M278-L283 HydrophobicContact CB-CD2 3.92Å; M278-L283 HydrophobicContact CB-CG 4.17Å; M278-L283 HydrophobicContact CG-CD2 3.72Å; M278-L283 HydrophobicContact CG-CG 4.04Å; M278-L283 WeakPolarHBondContact O-CD1 3.33Å
279P96.9Very high95.2Very high55 Ų5548.2 Ų48.236%0.35728%0.282SS..  trans-59.7139-173.9-2735.3000114.2I272 K281 V282 L283I272-P279 HydrophobicContact CD1-CG 4.4Å; P279-K281 PolarHBondContact O-N 2.93Å; P279-V282 HydrophobicContact CB-CG2 4.38Å; P279-V282 WeakPolarHBondContact O-CA 3.41Å; P279-V282 WeakPolarHBondContact O-CB 3.39Å; P279-V282 PolarHBondContact O-N 2.86Å; P279-L283 PolarHBondContact O-N 2.73Å; P279-L283 VanDerWaalsContact O-N 3.11Å
280D97.1Very high95.5Very high51 Ų5145 Ų4527%0.27325%0.249SC..Hα-helixtrans-53.3-28.1-179.6-72.2-49.4000113.3R157 V158 N284R157-D280 IonicContact CZ-OD2 2.63Å; R157-D280 IonicContact NH1-OD2 3.18Å; R157-D280 PolarHBondContact NH1-OD2 3.35Å; V158-D280 HydrophobicContact CG2-CB 4.15Å; V158-D280 WeakPolarHBondContact CG2-OD1 3.26Å; D280-N284 WeakPolarHBondContact O-CB 3.17Å; D280-N284 PolarHBondContact O-N 2.86Å; D280-N284 PolarHBondContact O-ND2 2.88Å
281K96.9Very high95.8Very high159 Ų15939 Ų3969%0.69122%0.217SC*.Hα-helixtrans-65.1-41.4173.2-172.8-177-179.7-172.50112.8P255 P279 F285P255-K281 HydrophobicContact CB-CD 4.08Å; P255-K281 HydrophobicContact CB-CG 4.18Å; P279-K281 PolarHBondContact O-N 2.93Å; K281-F285 WeakPolarHBondContact O-CB 3.46Å; K281-F285 PolarHBondContact O-N 2.99Å; K281-F285 VanDerWaalsContact O-N 3.15Å
282V97.7Very high96Very high3 Ų336.5 Ų36.52%0.01819%0.19CC..Hα-helixtrans-71.8-39.5178.1178.30000110.1P255 P257 P259 M278 P279 F285 V286P255-V282 HydrophobicContact CB-CG2 4.14Å; P255-V282 HydrophobicContact CG-CG2 4.29Å; P257-V282 VanDerWaalsContact O-CG1 3.26Å; P257-V282 WeakPolarHBondContact O-CG1 3.27Å; P257-V282 WeakPolarHBondContact O-CG2 3.48Å; P259-V282 HydrophobicContact CB-CG1 4.16Å; P259-V282 HydrophobicContact CG-CG1 4.06Å; M278-V282 HydrophobicContact CE-CG1 3.87Å; M278-V282 HydrophobicContact CG-CB 4.09Å; M278-V282 HydrophobicContact CG-CG1 3.93Å; M278-V282 HydrophobicContact SD-CB 4.15Å; M278-V282 HydrophobicContact SD-CG1 3.79Å; M278-V282 HydrophobicContact SD-CG2 4.45Å; P279-V282 HydrophobicContact CB-CG2 4.38Å; P279-V282 WeakPolarHBondContact O-CA 3.41Å; P279-V282 WeakPolarHBondContact O-CB 3.39Å; P279-V282 PolarHBondContact O-N 2.86Å; V282-F285 WeakPolarHBondContact O-CB 3.45Å; V282-F285 PolarHBondContact O-N 3.37Å; V282-V286 PolarHBondContact O-N 2.89Å
283L97.8Very high96.1Very high2 Ų236.7 Ų36.71%0.0119%0.191CC..Hα-helixtrans-68.4-40178.7-63.3-178000113V158 L159 T164 M278 P279 F285 V286 K287V158-L283 HydrophobicContact CB-CB 3.7Å; V158-L283 HydrophobicContact CB-CD1 4.18Å; V158-L283 HydrophobicContact CG1-CB 3.63Å; L159-L283 HydrophobicContact CD1-CB 4.42Å; L159-L283 HydrophobicContact CD1-CD2 4.5Å; L159-L283 WeakPolarHBondContact CD1-O 3.37Å; T164-L283 HydrophobicContact CG2-CD2 3.47Å; T164-L283 VanDerWaalsContact CG2-CD2 3.47Å; M278-L283 HydrophobicContact CB-CD1 4.41Å; M278-L283 HydrophobicContact CB-CD2 3.92Å; M278-L283 HydrophobicContact CB-CG 4.17Å; M278-L283 HydrophobicContact CG-CD2 3.72Å; M278-L283 HydrophobicContact CG-CG 4.04Å; M278-L283 WeakPolarHBondContact O-CD1 3.33Å; P279-L283 PolarHBondContact O-N 2.73Å; P279-L283 VanDerWaalsContact O-N 3.11Å; L283-F285 VanDerWaalsContact C-N 3.32Å; L283-V286 WeakPolarHBondContact O-CG1 3.24Å; L283-K287 WeakPolarHBondContact O-CB 3.19Å; L283-K287 PolarHBondContact O-N 2.87Å; L283-K287 VanDerWaalsContact O-N 3.13Å
284N96.8Very high96.2Very high74 Ų7435.2 Ų35.240%0.39618%0.181SC..Hα-helixtrans-67.1-34.8171.3-77.3-65.4000111.7V158 D280 K287 D288V158-N284 WeakPolarHBondContact CG2-ND2 3.23Å; D280-N284 WeakPolarHBondContact O-CB 3.17Å; D280-N284 PolarHBondContact O-N 2.86Å; D280-N284 PolarHBondContact O-ND2 2.88Å; N284-K287 WeakPolarHBondContact O-CB 3.44Å; N284-K287 PolarHBondContact O-N 2.86Å; N284-D288 PolarHBondContact O-N 3.13Å
285F97.3Very high96.3Very high16 Ų1636.2 Ų36.27%0.0719%0.186CC..Hα-helixtrans-60.6-55.4175.6-168.9-76.1000111.5Y237 Y250 V254 P255 P259 K281 V282 L283 K287 D288 H289Y237-F285 HydrophobicContact CD1-CE1 4.29Å; Y237-F285 AromaticContact CD2-CE1 3.74Å; Y237-F285 HydrophobicContact CD2-CE1 3.74Å; Y237-F285 HydrophobicContact CD2-CZ 4.01Å; Y237-F285 HydrophobicContact CE1-CE1 4.46Å; Y237-F285 AromaticContact CE2-CE1 3.97Å; Y237-F285 HydrophobicContact CE2-CE1 3.97Å; Y237-F285 HydrophobicContact CE2-CZ 4.44Å; Y237-F285 AromaticContact CG-CE1 3.93Å; Y237-F285 HydrophobicContact CG-CE1 3.93Å; Y237-F285 HydrophobicContact CG-CZ 4.43Å; Y250-F285 HydrophobicContact CD1-CE2 4.18Å; Y250-F285 AromaticContact CD1-CZ 3.87Å; Y250-F285 HydrophobicContact CD1-CZ 3.87Å; Y250-F285 AromaticContact CE1-CE2 3.51Å; Y250-F285 HydrophobicContact CE1-CE2 3.51Å; Y250-F285 AromaticContact CE1-CZ 3.68Å; Y250-F285 HydrophobicContact CE1-CZ 3.68Å; Y250-F285 HydrophobicContact CE2-CE2 4.28Å; Y250-F285 HydrophobicContact CG-CZ 4.42Å; Y250-F285 AromaticContact CZ-CE2 3.55Å; V254-F285 HydrophobicContact CG1-CE1 4.46Å; V254-F285 HydrophobicContact CG1-CZ 4.31Å; V254-F285 HydrophobicContact CG2-CZ 4.17Å; P255-F285 HydrophobicContact CG-CB 3.9Å; P255-F285 HydrophobicContact CG-CD2 3.83Å; P255-F285 HydrophobicContact CG-CG 3.94Å; P259-F285 HydrophobicContact CB-CB 4.49Å; P259-F285 HydrophobicContact CB-CD1 3.67Å; P259-F285 HydrophobicContact CB-CE1 4.33Å; P259-F285 HydrophobicContact CB-CG 4.39Å; P259-F285 HydrophobicContact CG-CB 4.03Å; P259-F285 HydrophobicContact CG-CD1 3.36Å; P259-F285 HydrophobicContact CG-CE1 3.94Å; P259-F285 HydrophobicContact CG-CG 3.78Å; K281-F285 WeakPolarHBondContact O-CB 3.46Å; K281-F285 PolarHBondContact O-N 2.99Å; K281-F285 VanDerWaalsContact O-N 3.15Å; V282-F285 WeakPolarHBondContact O-CB 3.45Å; V282-F285 PolarHBondContact O-N 3.37Å; L283-F285 VanDerWaalsContact C-N 3.32Å; F285-K287 VanDerWaalsContact C-N 3.25Å; F285-K287 PolarHBondContact O-N 3.5Å; F285-D288 PolarHBondContact O-N 3.2Å; F285-D288 VanDerWaalsContact O-N 3.1Å; F285-H289 HydrophobicContact CD1-CB 3.63Å; F285-H289 AromaticContact CD1-CG 3.83Å; F285-H289 AromaticContact CD1-ND1 3.96Å; F285-H289 HydrophobicContact CE1-CB 3.4Å; F285-H289 AromaticContact CE1-CD2 3.97Å; F285-H289 AromaticContact CE1-CG 3.52Å; F285-H289 HydrophobicContact CZ-CB 4.16Å; F285-H289 AromaticContact CZ-CD2 3.82Å; F285-H289 AromaticContact CZ-CG 3.79Å; F285-H289 VanDerWaalsContact O-CB 3.27Å; F285-H289 WeakPolarHBondContact O-CB 3.33Å; F285-H289 PolarHBondContact O-N 2.78Å; F285-H289 PolarHBondContact O-ND1 2.89Å; F285-H289 VanDerWaalsContact O-ND1 3.09Å
286V96.8Very high96.5Very high1 Ų136.3 Ų36.31%0.00619%0.186CC..Hα-helixtrans-65.4-27.7-178.773.10000112.8L159 L167 P259 V282 L283 D288L159-V286 HydrophobicContact CD1-CG1 3.63Å; L167-V286 HydrophobicContact CD2-CG2 4.11Å; P259-V286 HydrophobicContact CB-CB 4.02Å; V282-V286 PolarHBondContact O-N 2.89Å; L283-V286 WeakPolarHBondContact O-CG1 3.24Å; V286-D288 VanDerWaalsContact C-N 3.26Å; V286-D288 PolarHBondContact O-N 3.16Å
287K96Very high96.5Very high58 Ų5840.1 Ų40.125%0.25220%0.196SC..Hα-helixtrans-54.3-44.4171.4-173.7-177.1175-174.20111.8E90 W95 L159 L283 N284 F285E90-K287 HydrophobicContact CG-CG 4.27Å; W95-K287 PolarHBondContact NE1-O 3.26Å; L159-K287 HydrophobicContact CD1-CB 4.38Å; L159-K287 HydrophobicContact CD2-CG 4.44Å; L283-K287 WeakPolarHBondContact O-CB 3.19Å; L283-K287 PolarHBondContact O-N 2.87Å; L283-K287 VanDerWaalsContact O-N 3.13Å; N284-K287 WeakPolarHBondContact O-CB 3.44Å; N284-K287 PolarHBondContact O-N 2.86Å; F285-K287 VanDerWaalsContact C-N 3.25Å; F285-K287 PolarHBondContact O-N 3.5Å
288D94.6Very high96.4Very high36 Ų3636.1 Ų36.119%0.19318%0.18CC..Hα-helixtrans-96.6-18.6-175.6-67.2-32.9000113.7L93 R242 N284 F285 V286L93-D288 HydrophobicContact CD1-CB 4.25Å; L93-D288 WeakPolarHBondContact CD1-OD1 3.41Å; R242-D288 IonicContact CZ-OD1 3.02Å; R242-D288 IonicContact CZ-OD2 2.67Å; R242-D288 IonicContact NH2-OD1 3.41Å; R242-D288 PolarHBondContact NH2-OD1 2.71Å; R242-D288 IonicContact NH2-OD2 2.81Å; R242-D288 PolarHBondContact NH2-OD2 2.91Å; N284-D288 PolarHBondContact O-N 3.13Å; F285-D288 PolarHBondContact O-N 3.2Å; F285-D288 VanDerWaalsContact O-N 3.1Å; V286-D288 VanDerWaalsContact C-N 3.26Å; V286-D288 PolarHBondContact O-N 3.16Å
289H95.9Very high96.3Very high8 Ų841.1 Ų41.14%0.03720%0.203CC..  trans-12258.8-173.2-63.177.4000112.8Y237 E239 Y250 F285Y237-H289 HydrophobicContact CD1-CB 4.23Å; Y237-H289 VanDerWaalsContact CD1-O 3.3Å; Y237-H289 WeakPolarHBondContact CD1-O 3.42Å; Y237-H289 HydrophobicContact CG-CB 4.28Å; E239-H289 WeakPolarHBondContact CB-NE2 3.29Å; E239-H289 VanDerWaalsContact CD-NE2 3.26Å; E239-H289 VanDerWaalsContact CG-NE2 3.34Å; E239-H289 WeakPolarHBondContact CG-NE2 3.47Å; E239-H289 IonicContact OE1-CE1 2.84Å; E239-H289 PolarHBondContact OE1-CE1 3.32Å; E239-H289 VanDerWaalsContact OE1-CE1 3.3Å; E239-H289 IonicContact OE1-NE2 2.73Å; E239-H289 PolarHBondContact OE1-NE2 2.9Å; E239-H289 IonicContact OE2-NE2 3.19Å; Y250-H289 AromaticContact CD2-CD2 3.78Å; Y250-H289 AromaticContact CD2-NE2 3.15Å; Y250-H289 WeakPolarHBondContact CD2-NE2 3.36Å; Y250-H289 AromaticContact CE2-NE2 3.39Å; Y250-H289 WeakPolarHBondContact CE2-NE2 3.46Å; Y250-H289 AromaticContact CG-CD2 3.98Å; Y250-H289 AromaticContact CG-NE2 3.83Å; F285-H289 HydrophobicContact CD1-CB 3.63Å; F285-H289 AromaticContact CD1-CG 3.83Å; F285-H289 AromaticContact CD1-ND1 3.96Å; F285-H289 HydrophobicContact CE1-CB 3.4Å; F285-H289 AromaticContact CE1-CD2 3.97Å; F285-H289 AromaticContact CE1-CG 3.52Å; F285-H289 HydrophobicContact CZ-CB 4.16Å; F285-H289 AromaticContact CZ-CD2 3.82Å; F285-H289 AromaticContact CZ-CG 3.79Å; F285-H289 VanDerWaalsContact O-CB 3.27Å; F285-H289 WeakPolarHBondContact O-CB 3.33Å; F285-H289 PolarHBondContact O-N 2.78Å; F285-H289 PolarHBondContact O-ND1 2.89Å; F285-H289 VanDerWaalsContact O-ND1 3.09Å
290F96Very high96.1Very high1 Ų139.5 Ų39.50%0.00419%0.192CC..  trans-89.6-9.6-17757.5-85.9000114.5L93 W95 F166 L167 K168 W247L93-F290 HydrophobicContact CB-CE1 4.01Å; L93-F290 HydrophobicContact CB-CZ 4.46Å; L93-F290 HydrophobicContact CD1-CE1 4.34Å; W95-F290 HydrophobicContact CB-CD2 4.29Å; W95-F290 HydrophobicContact CB-CE2 4.32Å; W95-F290 AromaticContact CD1-CD1 3.21Å; W95-F290 AromaticContact CD1-CD2 3.92Å; W95-F290 AromaticContact CD1-CE1 3.36Å; W95-F290 AromaticContact CD1-CG 3.5Å; W95-F290 AromaticContact CD1-CZ 3.77Å; W95-F290 HydrophobicContact CD2-CB 4.39Å; W95-F290 HydrophobicContact CD2-CG 4.38Å; W95-F290 HydrophobicContact CG-CB 4.45Å; W95-F290 HydrophobicContact CG-CD1 4.11Å; W95-F290 HydrophobicContact CG-CD2 4.11Å; W95-F290 HydrophobicContact CG-CE1 4.38Å; W95-F290 HydrophobicContact CG-CE2 4.38Å; W95-F290 AromaticContact CG-CG 3.96Å; W95-F290 HydrophobicContact CG-CG 3.96Å; W95-F290 HydrophobicContact CG-CZ 4.48Å; W95-F290 HydrophobicContact CZ2-CB 4.44Å; W95-F290 AromaticContact NE1-CD1 3.21Å; W95-F290 AromaticContact NE1-CE1 3.76Å; W95-F290 AromaticContact NE1-CG 3.62Å; F166-F290 HydrophobicContact CD1-CB 4.12Å; F166-F290 HydrophobicContact CE1-CB 4.23Å; F166-F290 HydrophobicContact CE1-CD2 4.33Å; L167-F290 WeakPolarHBondContact CA-O 3.49Å; K168-F290 HydrophobicContact CD-CD2 4.45Å; K168-F290 PolarHBondContact N-O 2.96Å; W247-F290 HydrophobicContact CH2-CE1 4Å; W247-F290 HydrophobicContact CH2-CE2 4.17Å; W247-F290 AromaticContact CH2-CZ 3.59Å; W247-F290 HydrophobicContact CH2-CZ 3.59Å; W247-F290 HydrophobicContact CZ2-CZ 4.18Å
291L97.4Very high96Very high2 Ų239.2 Ų39.21%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-105.1132.6-179176.862.1000110.9E133 K168 Y237 R238 W247E133-L291 HydrophobicContact CB-CD2 4.15Å; E133-L291 HydrophobicContact CG-CD2 4.21Å; K168-L291 HydrophobicContact CG-CD1 3.99Å; Y237-L291 CarbonylContact C-O 3.44Å; Y237-L291 WeakPolarHBondContact CA-O 3.34Å; R238-L291 HydrophobicContact CB-CB 4.48Å; R238-L291 HydrophobicContact CB-CD2 4.25Å; R238-L291 HydrophobicContact CB-CG 4.29Å; R238-L291 PolarHBondContact N-O 2.87Å; W247-L291 HydrophobicContact CD2-CD2 4.3Å; W247-L291 HydrophobicContact CE3-CD2 3.91Å; W247-L291 HydrophobicContact CH2-CB 4.47Å; W247-L291 HydrophobicContact CH2-CD2 4.42Å; W247-L291 HydrophobicContact CZ3-CB 4.05Å; W247-L291 HydrophobicContact CZ3-CD2 3.98Å
292M98.1Very high95.9Very high6 Ų632.4 Ų32.43%0.0316%0.162CC..EExtended strand (participates in β ladder)trans-84.5143.6173.5-52-45.8-56.200112L167 K168 A169 A232 F233 R236 Y237L167-M292 HydrophobicContact CB-SD 4.28Å; L167-M292 HydrophobicContact CD1-SD 3.98Å; L167-M292 HydrophobicContact CD2-SD 4.1Å; L167-M292 HydrophobicContact CG-SD 4.36Å; K168-M292 WeakPolarHBondContact O-CG 3.27Å; K168-M292 PolarHBondContact O-N 3.24Å; A169-M292 HydrophobicContact CB-CB 3.98Å; A169-M292 HydrophobicContact CB-CG 4.03Å; A232-M292 WeakPolarHBondContact O-CE 3.32Å; F233-M292 HydrophobicContact CD1-CG 3.76Å; F233-M292 HydrophobicContact CD1-SD 4.26Å; F233-M292 HydrophobicContact CE1-CG 4.19Å; F233-M292 WeakPolarHBondContact O-CE 3.4Å; R236-M292 WeakPolarHBondContact O-CE 3.46Å; Y237-M292 HydrophobicContact CD1-CE 3.75Å; Y237-M292 HydrophobicContact CD1-SD 3.79Å; Y237-M292 HydrophobicContact CE1-CE 3.82Å; Y237-M292 HydrophobicContact CE1-SD 3.88Å; Y237-M292 HydrophobicContact CG-CE 4.17Å
293D96.2Very high95.7Very high22 Ų2235.3 Ų35.312%0.11818%0.177CC..SBendtrans-76.8-22.8174.8-177.264.3000113.1R236 R238 T249R236-D293 HydrophobicContact CB-CB 4.02Å; R236-D293 IonicContact CZ-OD2 2.77Å; R236-D293 IonicContact NE-OD2 2.68Å; R236-D293 PolarHBondContact NE-OD2 3.41Å; R236-D293 IonicContact NH2-OD2 3.28Å; R236-D293 PolarHBondContact NH2-OD2 2.98Å; R236-D293 WeakPolarHBondContact O-CB 3.43Å; R236-D293 PolarHBondContact O-N 2.89Å; R238-D293 HydrophobicContact CG-CB 3.91Å; R238-D293 IonicContact CZ-OD1 2.69Å; R238-D293 IonicContact NE-OD1 2.68Å; R238-D293 PolarHBondContact NE-OD1 3.46Å; R238-D293 VanDerWaalsContact NE-OD1 3.16Å; R238-D293 IonicContact NH2-OD1 2.7Å; T249-D293 HydrophobicContact CG2-CB 3.96Å; T249-D293 VanDerWaalsContact CG2-OD2 3.28Å; T249-D293 WeakPolarHBondContact CG2-OD2 3.42Å; T249-D293 PolarHBondContact OG1-OD1 3.25Å
294S95.2Very high95.4Very high40 Ų4038.4 Ų38.428%0.2819%0.19SC..  trans-85.5120-175.2-64.50000112.2
295V94.8Very high95Very high45 Ų4543.7 Ų43.727%0.27320%0.204SC..  trans-85.7126.4178.3-174.20000110.7Q170 L172 R297Q170-V295 HydrophobicContact CB-CG1 4.17Å; Q170-V295 HydrophobicContact CB-CG2 4.41Å; Q170-V295 HydrophobicContact CG-CG1 4.19Å; Q170-V295 VanDerWaalsContact OE1-CG2 3.26Å; L172-V295 HydrophobicContact CB-CG1 3.59Å; L172-V295 HydrophobicContact CD2-CG1 4.14Å; L172-V295 HydrophobicContact CG-CG1 4.48Å; V295-R297 HydrophobicContact CB-CG 4.22Å; V295-R297 HydrophobicContact CG1-CG 3.81Å; V295-R297 PolarHBondContact O-N 3.23Å
296I97.3Very high94.6Very high3 Ų348.3 Ų48.32%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-84.592178.7-60.3160.7000108I145 A169 Q170 L171 L172 F224 K228 V229 A232I145-I296 HydrophobicContact CG2-CD1 3.41Å; I145-I296 VanDerWaalsContact CG2-CD1 3.41Å; A169-I296 HydrophobicContact CB-CD1 3.78Å; Q170-I296 WeakPolarHBondContact O-CB 3.46Å; Q170-I296 PolarHBondContact O-N 2.98Å; L171-I296 HydrophobicContact CD2-CB 4.13Å; L171-I296 HydrophobicContact CD2-CD1 4.42Å; L171-I296 HydrophobicContact CD2-CG2 3.96Å; L172-I296 PolarHBondContact N-O 3.49Å; F224-I296 HydrophobicContact CB-CG2 4.14Å; F224-I296 HydrophobicContact CD1-CG2 3.74Å; F224-I296 WeakPolarHBondContact CE1-O 3.41Å; F224-I296 HydrophobicContact CG-CG2 4.19Å; K228-I296 HydrophobicContact CB-CG2 4.23Å; V229-I296 HydrophobicContact CG2-CD1 4.32Å; V229-I296 HydrophobicContact CG2-CG2 4.39Å; A232-I296 HydrophobicContact CB-CD1 3.74Å; A232-I296 HydrophobicContact CB-CG1 3.41Å; A232-I296 VanDerWaalsContact CB-CG1 3.41Å
297R95Very high94.4Very high146 Ų14649.2 Ų49.255%0.55124%0.235SC*.EExtended strand (participates in β ladder)trans-91.5138.6-174-59-169.1177.6-125.7-2.9113.2L172 K228 V295L172-R297 HydrophobicContact CB-CG 4.3Å; L172-R297 HydrophobicContact CD2-CG 4.09Å; L172-R297 WeakPolarHBondContact O-CA 2.95Å; K228-R297 PolarHBondContact NZ-O 3Å; V295-R297 HydrophobicContact CB-CG 4.22Å; V295-R297 HydrophobicContact CG1-CG 3.81Å; V295-R297 PolarHBondContact O-N 3.23Å
298S94.7Very high94.2Very high18 Ų1851.9 Ų51.913%0.12624%0.244CC..EExtended strand (participates in β ladder)trans-142.3155.4165.6-1550000111.9L172 S174 S223 F224L172-S298 PolarHBondContact O-N 3.21Å; S174-S298 PolarHBondContact N-O 3.46Å; S174-S298 VanDerWaalsContact N-O 3.11Å; S223-S298 WeakPolarHBondContact O-CB 2.96Å; S223-S298 PolarHBondContact O-OG 3.18Å; F224-S298 VanDerWaalsContact CE1-CB 3.46Å
299Q93.2Very high94.3Very high118 Ų11850.2 Ų50.255%0.55124%0.235SC*.  trans-89.6145.6173.4-68.4174.6-3.500109.5S174 P176 C222 L301S174-Q299 WeakPolarHBondContact O-CA 3.25Å; P176-Q299 VanDerWaalsContact CG-NE2 3.34Å; C222-Q299 PolarHBondContact SG-O 2.85Å; C222-Q299 VanDerWaalsContact SG-O 3.42Å; Q299-L301 PolarHBondContact O-N 2.67Å
300P93.8Very high94.4Very high21 Ų2151 Ų5114%0.13624%0.24CC..EExtended strand (participates in β ladder)trans-54.2120.2171.3-27.434.8000111.8S174 L175 F182 A220 V221 L303S174-P300 WeakPolarHBondContact O-CD 3.12Å; L175-P300 HydrophobicContact CD2-CG 4.34Å; L175-P300 HydrophobicContact CG-CG 4.48Å; F182-P300 HydrophobicContact CD2-CG 4.43Å; F182-P300 HydrophobicContact CE2-CG 4.47Å; A220-P300 HydrophobicContact CB-CB 3.9Å; A220-P300 HydrophobicContact CB-CG 3.86Å; V221-P300 CarbonylContact O-C 3.46Å; V221-P300 WeakPolarHBondContact O-CA 3.47Å; P300-L303 HydrophobicContact CB-CB 4.28Å
301L94.4Very high94.4Very high45 Ų4552.4 Ų52.424%0.23625%0.247CC..EExtended strand (participates in β ladder)trans-68.5-47.6166.6-61.8-177.1000109.6Y204 V221 Q299 M346Y204-L301 HydrophobicContact CD1-CD1 4.37Å; Y204-L301 HydrophobicContact CE1-CD1 3.83Å; V221-L301 PolarHBondContact O-N 2.56Å; Q299-L301 PolarHBondContact O-N 2.67Å; L301-M346 HydrophobicContact CB-CG 3.72Å; L301-M346 HydrophobicContact CB-SD 4.17Å; L301-M346 WeakPolarHBondContact O-CB 3.49Å; L301-M346 WeakPolarHBondContact O-CG 3.31Å
302L94.8Very high94.5Very high16 Ų1652.4 Ų52.48%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-120.6130.3174.8-179.460.1000108.3A220 V221 Y309 I329 M346 I348A220-L302 CarbonylContact C-O 3.54Å; A220-L302 VanDerWaalsContact CA-O 3.29Å; A220-L302 WeakPolarHBondContact CA-O 3.38Å; V221-L302 HydrophobicContact CB-CB 4.28Å; V221-L302 HydrophobicContact CG2-CB 4.34Å; V221-L302 PolarHBondContact N-O 2.94Å; L302-Y309 HydrophobicContact CD2-CE2 4Å; L302-Y309 WeakPolarHBondContact CD2-OH 3.29Å; L302-Y309 HydrophobicContact CG-CE2 4.5Å; L302-I329 HydrophobicContact CD2-CD1 3.73Å; L302-M346 HydrophobicContact CB-CB 4.09Å; L302-M346 HydrophobicContact CB-CG 3.98Å; L302-M346 HydrophobicContact CD1-CB 4.11Å; L302-I348 HydrophobicContact CD1-CD1 4.3Å; L302-I348 HydrophobicContact CD1-CG1 4.48Å; L302-I348 HydrophobicContact CD2-CD1 4.49Å
303L92.9Very high94.5Very high64 Ų6452.4 Ų52.434%0.33525%0.247SC..EExtended strand (participates in β ladder)trans-122.4123.4167.6-174.2157000107.4L175 F182 S219 P300 R305L175-L303 HydrophobicContact CD1-CD1 4.13Å; F182-L303 HydrophobicContact CE2-CD1 3.8Å; F182-L303 HydrophobicContact CE2-CG 4.48Å; F182-L303 HydrophobicContact CZ-CD1 3.72Å; F182-L303 HydrophobicContact CZ-CG 4.02Å; S219-L303 WeakPolarHBondContact O-CA 3.41Å; P300-L303 HydrophobicContact CB-CB 4.28Å; L303-R305 HydrophobicContact CD2-CG 4.07Å
304K91.7Very high94.6Very high66 Ų6651.5 Ų51.529%0.28724%0.242SC..EExtended strand (participates in β ladder)trans-125.3121.8179.1-173.180.9175.9-164.90108.5S218 S219 V307 Y309S218-K304 WeakPolarHBondContact CA-O 3.2Å; S219-K304 PolarHBondContact N-O 2.9Å; S219-K304 PolarHBondContact O-N 3.21Å; K304-V307 HydrophobicContact CB-CB 4.44Å; K304-V307 HydrophobicContact CD-CG2 4.28Å; K304-V307 HydrophobicContact CG-CB 3.61Å; K304-V307 HydrophobicContact CG-CG1 4.3Å; K304-V307 HydrophobicContact CG-CG2 3.59Å; K304-Y309 HydrophobicContact CB-CE2 3.99Å
305R89.4Confident94.6Very high185 Ų18551.3 Ų51.370%0.69824%0.237SC*.SBendtrans-85.5152.3173.2-63.4-179178.8176.5-2110S218 L303 V307S218-R305 WeakPolarHBondContact OG-CA 3.37Å; L303-R305 HydrophobicContact CD2-CG 4.07Å; R305-V307 PolarHBondContact O-N 3.1Å
306N88.5Confident94.6Very high114 Ų11450.6 Ų50.661%0.6124%0.238SC*.SBendtrans5533.7179.9-51.9-4.6000113.2G217G217-N306 CarbonylContact O-C 3.55Å; G217-N306 WeakPolarHBondContact O-CA 3.32Å; G217-N306 PolarHBondContact O-N 2.78Å
307V91.6Very high94.4Very high19 Ų1950.8 Ų50.812%0.11524%0.24CC..  trans-147.5127.7174.6177.20000107.9G217 S219 K304 R305 Y309 T331G217-V307 PolarHBondContact O-N 3.39Å; S219-V307 PolarHBondContact OG-O 3.01Å; K304-V307 HydrophobicContact CB-CB 4.44Å; K304-V307 HydrophobicContact CD-CG2 4.28Å; K304-V307 HydrophobicContact CG-CB 3.61Å; K304-V307 HydrophobicContact CG-CG1 4.3Å; K304-V307 HydrophobicContact CG-CG2 3.59Å; R305-V307 PolarHBondContact O-N 3.1Å; V307-Y309 HydrophobicContact CG1-CD1 3.9Å; V307-Y309 HydrophobicContact CG1-CE1 3.65Å; V307-T331 HydrophobicContact CG1-CG2 3.62Å
308R93.6Very high94.2Very high115 Ų11550 Ų5043%0.43424%0.242SC..  trans-101.2115.7170.6177.9-179.1-168.4172.92.1109.9T208 S219 T331 D332T208-R308 HydrophobicContact CG2-CG 4.09Å; S219-R308 VanDerWaalsContact OG-CA 3.24Å; S219-R308 WeakPolarHBondContact OG-CA 3.41Å; R308-T331 CarbonylContact O-C 3.57Å; R308-T331 VanDerWaalsContact O-CA 3.31Å; R308-T331 WeakPolarHBondContact O-CA 3.3Å; R308-D332 HydrophobicContact CB-CB 4.39Å; R308-D332 WeakPolarHBondContact CB-OD2 3.48Å; R308-D332 WeakPolarHBondContact CD-OD2 3.4Å; R308-D332 HydrophobicContact CG-CB 4.45Å; R308-D332 PolarHBondContact O-N 2.98Å
309Y96.6Very high93.8Very high0 Ų049.4 Ų49.40%024%0.238CC..EExtended strand (participates in β ladder)trans-81.7141.3172-65.3-43.2000110.7V206 S219 V221 L302 K304 V307 I329 G330 T331 H337V206-Y309 VanDerWaalsContact CG1-CB 3.46Å; S219-Y309 PolarHBondContact OG-N 3.22Å; V221-Y309 HydrophobicContact CG2-CD2 4.18Å; V221-Y309 HydrophobicContact CG2-CE2 4.33Å; L302-Y309 HydrophobicContact CD2-CE2 4Å; L302-Y309 WeakPolarHBondContact CD2-OH 3.29Å; L302-Y309 HydrophobicContact CG-CE2 4.5Å; K304-Y309 HydrophobicContact CB-CE2 3.99Å; V307-Y309 HydrophobicContact CG1-CD1 3.9Å; V307-Y309 HydrophobicContact CG1-CE1 3.65Å; Y309-I329 HydrophobicContact CD1-CB 4.3Å; Y309-I329 HydrophobicContact CD1-CG2 3.44Å; Y309-I329 VanDerWaalsContact CD1-CG2 3.44Å; Y309-I329 HydrophobicContact CD2-CG2 3.86Å; Y309-I329 HydrophobicContact CE1-CB 4.37Å; Y309-I329 HydrophobicContact CE1-CG2 3.92Å; Y309-I329 HydrophobicContact CE2-CG2 4.3Å; Y309-I329 HydrophobicContact CG-CG2 3.43Å; Y309-I329 VanDerWaalsContact CG-CG2 3.43Å; Y309-G330 CarbonylContact C-O 3.27Å; Y309-G330 VanDerWaalsContact CA-O 3.25Å; Y309-G330 WeakPolarHBondContact CA-O 3.2Å; Y309-T331 HydrophobicContact CD1-CG2 4.01Å; Y309-T331 HydrophobicContact CE1-CG2 4.09Å; Y309-H337 AromaticContact CE1-CE1 3.85Å; Y309-H337 AromaticContact CE1-ND1 3.34Å; Y309-H337 VanDerWaalsContact CE1-ND1 3.34Å; Y309-H337 WeakPolarHBondContact CE1-ND1 3.27Å; Y309-H337 AromaticContact CZ-ND1 3.56Å; Y309-H337 PolarHBondContact OH-ND1 3.13Å
310T96.4Very high93.2Very high25 Ų2548.8 Ų48.815%0.15325%0.253CS..EExtended strand (participates in β ladder)trans-116.3-32.9-175.854.60000113.4G330 D332 V361T310-G330 PolarHBondContact N-O 3.14Å; T310-G330 PolarHBondContact OG1-O 2.74Å; T310-D332 HydrophobicContact CG2-CB 3.81Å; T310-V361 VanDerWaalsContact CB-O 3.31Å; T310-V361 WeakPolarHBondContact CB-O 3.41Å; T310-V361 PolarHBondContact OG1-O 3.04Å
311Q97.8Very high92.7Very high30 Ų3053.9 Ų53.914%0.1427%0.273CS..EExtended strand (participates in β ladder)trans-146153.6-171.5-71.3-69.7-84.400111.2D187 I329 G330 V361 H362 I364D187-Q311 VanDerWaalsContact CG-NE2 3.28Å; D187-Q311 VanDerWaalsContact OD2-CA 3.28Å; D187-Q311 WeakPolarHBondContact OD2-CA 3.48Å; D187-Q311 PolarHBondContact OD2-NE2 3.5Å; Q311-I329 CarbonylContact O-C 3.49Å; Q311-I329 WeakPolarHBondContact O-CA 3.19Å; Q311-I329 WeakPolarHBondContact O-CG2 3.47Å; Q311-G330 PolarHBondContact O-N 3.27Å; Q311-V361 HydrophobicContact CB-CG1 4.37Å; Q311-V361 HydrophobicContact CG-CG1 4.43Å; Q311-H362 WeakPolarHBondContact CG-O 3.06Å; Q311-H362 PolarHBondContact OE1-O 2.6Å; Q311-I364 HydrophobicContact CB-CD1 3.76Å; Q311-I364 HydrophobicContact CB-CG1 3.97Å
312I98.4Very high92.5Very high2 Ų255.7 Ų55.71%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-145.1134.5176.1-177.2163.5000111.8D187 F189 V206 V221 V314 L327 F328 I329D187-I312 HydrophobicContact CB-CG2 4.24Å; D187-I312 PolarHBondContact OD2-N 2.94Å; F189-I312 HydrophobicContact CB-CG2 4.23Å; V206-I312 HydrophobicContact CG2-CB 3.7Å; V206-I312 HydrophobicContact CG2-CD1 4.34Å; V206-I312 HydrophobicContact CG2-CG2 3.67Å; V221-I312 HydrophobicContact CG1-CD1 3.62Å; I312-V314 HydrophobicContact CD1-CG2 4.29Å; I312-V314 HydrophobicContact CG1-CG2 4.11Å; I312-L327 HydrophobicContact CD1-CD2 3.97Å; I312-L327 HydrophobicContact CD1-CG 4.15Å; I312-F328 WeakPolarHBondContact CA-O 3.17Å; I312-I329 HydrophobicContact CD1-CG1 4.34Å; I312-I329 HydrophobicContact CG1-CG1 4.39Å
313V98.2Very high92.3Very high7 Ų758.4 Ų58.44%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-127.1151.3161.3-62.10000110.7F189 F328 I364 L366 L373F189-V313 HydrophobicContact CD2-CB 3.95Å; F189-V313 HydrophobicContact CD2-CG1 3.94Å; F189-V313 HydrophobicContact CE2-CB 3.9Å; F189-V313 HydrophobicContact CE2-CG1 4.02Å; V313-F328 HydrophobicContact CG2-CB 3.91Å; V313-F328 HydrophobicContact CG2-CD2 4.24Å; V313-F328 PolarHBondContact N-O 3.42Å; V313-F328 PolarHBondContact O-N 2.74Å; V313-I364 HydrophobicContact CB-CG2 4.47Å; V313-I364 HydrophobicContact CG1-CB 4.08Å; V313-I364 HydrophobicContact CG1-CG2 4.02Å; V313-I364 VanDerWaalsContact CG1-O 3.23Å; V313-I364 WeakPolarHBondContact CG1-O 3.3Å; V313-I364 HydrophobicContact CG2-CB 4.41Å; V313-I364 HydrophobicContact CG2-CG2 3.6Å; V313-L366 HydrophobicContact CB-CB 4.36Å; V313-L366 HydrophobicContact CG2-CB 4.32Å; V313-L373 HydrophobicContact CG2-CD2 3.81Å
314V97.6Very high92.4Very high2 Ų255.8 Ų55.81%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-129.9127.4-176.3-170.50000111.1F189 L191 Y204 I312 N325 V326 L327F189-V314 HydrophobicContact CB-CG2 4.3Å; F189-V314 HydrophobicContact CD1-CB 3.61Å; F189-V314 HydrophobicContact CD1-CG2 3.78Å; F189-V314 HydrophobicContact CE1-CB 3.78Å; F189-V314 HydrophobicContact CE1-CG2 4.45Å; F189-V314 WeakPolarHBondContact CE1-O 3.39Å; F189-V314 HydrophobicContact CG-CB 4.38Å; F189-V314 HydrophobicContact CG-CG2 4.2Å; F189-V314 VanDerWaalsContact CZ-O 3.29Å; F189-V314 WeakPolarHBondContact CZ-O 3.46Å; L191-V314 HydrophobicContact CD2-CG1 4.05Å; Y204-V314 HydrophobicContact CD1-CG2 4.33Å; Y204-V314 HydrophobicContact CD2-CB 4.44Å; Y204-V314 HydrophobicContact CD2-CG1 4.37Å; Y204-V314 HydrophobicContact CD2-CG2 3.93Å; Y204-V314 HydrophobicContact CE2-CG1 4.18Å; Y204-V314 HydrophobicContact CG-CG2 3.81Å; I312-V314 HydrophobicContact CD1-CG2 4.29Å; I312-V314 HydrophobicContact CG1-CG2 4.11Å; V314-N325 HydrophobicContact CG1-CB 3.86Å; V314-V326 WeakPolarHBondContact CA-O 3.49Å; V314-L327 HydrophobicContact CG1-CD1 4.08Å; V314-L327 HydrophobicContact CG2-CD1 4.42Å; V314-L327 HydrophobicContact CG2-CG 4.03Å
315H96.4Very high92.6Very high37 Ų3754.6 Ų54.617%0.17128%0.279CS..EExtended strand (participates in β ladder)trans-116127.2176.9-172.3-141.2000111.1V317 V326 F328 L366 Y405H315-V317 PolarHBondContact O-N 3.49Å; H315-V326 PolarHBondContact N-O 3.27Å; H315-V326 PolarHBondContact O-N 3.32Å; H315-F328 HydrophobicContact CB-CE2 4.39Å; H315-L366 HydrophobicContact CB-CD1 4.49Å; H315-L366 HydrophobicContact CB-CD2 3.86Å; H315-Y405 AromaticContact ND1-CE1 3.74Å; H315-Y405 AromaticContact ND1-CZ 3.71Å; H315-Y405 PolarHBondContact ND1-OH 3.3Å
316G94.8Very high93Very high29 Ų2945.8 Ų45.830%0.29925%0.246SC..EExtended strand (participates in β ladder)trans-82.599.4174.100000111.3
317V92.9Very high93.5Very high8 Ų840.5 Ų40.55%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-88.8111.7-178.3-174.70000110.3H315 T319 V323 Y324 V326 P404 Y405H315-V317 PolarHBondContact O-N 3.49Å; V317-T319 PolarHBondContact O-N 2.89Å; V317-V323 CarbonylContact O-C 3.59Å; V317-V323 WeakPolarHBondContact O-CA 3.46Å; V317-Y324 PolarHBondContact N-O 2.78Å; V317-Y324 PolarHBondContact O-N 3.12Å; V317-V326 HydrophobicContact CB-CG2 4.44Å; V317-V326 HydrophobicContact CG2-CB 4.46Å; V317-V326 HydrophobicContact CG2-CG2 3.63Å; V317-P404 HydrophobicContact CB-CB 4.03Å; V317-P404 HydrophobicContact CG1-CB 3.9Å; V317-Y405 HydrophobicContact CB-CE1 4.5Å; V317-Y405 HydrophobicContact CG1-CD1 4.15Å; V317-Y405 HydrophobicContact CG1-CE1 4.23Å; V317-Y405 HydrophobicContact CG2-CD1 4.09Å; V317-Y405 HydrophobicContact CG2-CE1 3.42Å; V317-Y405 VanDerWaalsContact CG2-CE1 3.42Å; V317-Y405 HydrophobicContact CG2-CE2 4Å; V317-Y405 WeakPolarHBondContact CG2-OH 3.45Å
318Q90.3Very high93.8Very high128 Ų12839.8 Ų39.860%0.59821%0.213SC*.EExtended strand (participates in β ladder)trans-71.7117.2172.2-17865.264.600110.5V323Q318-V323 VanDerWaalsContact OE1-CG2 3.26Å
319T86.9Confident94Very high6 Ų634.3 Ų34.34%0.03719%0.192CC..  trans-106175.9169.769.70000110.7V317 K321 K322 Y324 P404V317-T319 PolarHBondContact O-N 2.89Å; T319-K321 PolarHBondContact O-N 3.2Å; T319-K321 PolarHBondContact OG1-N 2.88Å; T319-K322 PolarHBondContact N-O 2.85Å; T319-K322 PolarHBondContact OG1-N 3.24Å; T319-K322 PolarHBondContact OG1-O 3.22Å; T319-Y324 HydrophobicContact CG2-CD2 3.62Å; T319-Y324 HydrophobicContact CG2-CE2 3.84Å; T319-Y324 WeakPolarHBondContact OG1-CE2 3.31Å; T319-P404 HydrophobicContact CG2-CB 3.99Å
320A80.6Confident94.1Very high106 Ų10634.3 Ų34.388%0.87619%0.192SC*.SBendtrans-64.3-18.3173.900000114.4
321K82.5Confident94.1Very high128 Ų12833.1 Ų33.156%0.55719%0.185SC*.SBendtrans-97.6-47.8179-64.6-172.8-178.2-171.50113T319 D428T319-K321 PolarHBondContact O-N 3.2Å; T319-K321 PolarHBondContact OG1-N 2.88Å; K321-D428 IonicContact NZ-OD1 3.21Å; K321-D428 PolarHBondContact NZ-OD1 3.21Å
322K90.1Very high93.9Very high83 Ų8334.6 Ų34.636%0.36119%0.194SC..  trans-167.6174.7-175.466.2-170.9-171.6-148.90111.6T319 Y324 D430T319-K322 PolarHBondContact N-O 2.85Å; T319-K322 PolarHBondContact OG1-N 3.24Å; T319-K322 PolarHBondContact OG1-O 3.22Å; K322-Y324 WeakPolarHBondContact CE-OH 3.49Å; K322-Y324 HydrophobicContact CG-CD2 4.2Å; K322-Y324 HydrophobicContact CG-CE2 3.78Å; K322-D430 IonicContact NZ-OD1 2.66Å; K322-D430 PolarHBondContact NZ-OD1 3.35Å; K322-D430 IonicContact NZ-OD2 3.35Å; K322-D430 PolarHBondContact NZ-OD2 2.85Å
323V91.6Very high93.7Very high73 Ų7336.8 Ų36.844%0.44221%0.205SC..EExtended strand (participates in β ladder)trans-77.3136.7166-177.90000110V317 Q318V317-V323 CarbonylContact O-C 3.59Å; V317-V323 WeakPolarHBondContact O-CA 3.46Å; Q318-V323 VanDerWaalsContact OE1-CG2 3.26Å
324Y94.6Very high93.6Very high8 Ų836.4 Ų36.43%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-115.3128.4168.3-69.2-94000110.2V317 T319 K322 V326 P404 V429 D430V317-Y324 PolarHBondContact N-O 2.78Å; V317-Y324 PolarHBondContact O-N 3.12Å; T319-Y324 HydrophobicContact CG2-CD2 3.62Å; T319-Y324 HydrophobicContact CG2-CE2 3.84Å; T319-Y324 WeakPolarHBondContact OG1-CE2 3.31Å; K322-Y324 WeakPolarHBondContact CE-OH 3.49Å; K322-Y324 HydrophobicContact CG-CD2 4.2Å; K322-Y324 HydrophobicContact CG-CE2 3.78Å; Y324-V326 PolarHBondContact O-N 3.02Å; Y324-P404 HydrophobicContact CD1-CG 4.44Å; Y324-P404 HydrophobicContact CD2-CB 4.16Å; Y324-P404 HydrophobicContact CD2-CG 4.23Å; Y324-P404 HydrophobicContact CG-CB 4.25Å; Y324-P404 HydrophobicContact CG-CG 3.88Å; Y324-V429 HydrophobicContact CD1-CG1 3.83Å; Y324-V429 HydrophobicContact CE1-CB 3.86Å; Y324-V429 HydrophobicContact CE1-CG1 3.32Å; Y324-V429 HydrophobicContact CE2-CB 4.14Å; Y324-V429 HydrophobicContact CE2-CG1 4.35Å; Y324-V429 HydrophobicContact CE2-CG2 4.33Å; Y324-D430 VanDerWaalsContact OH-CG 3.32Å; Y324-D430 PolarHBondContact OH-OD2 3.04Å
325N95.8Very high93.6Very high42 Ų4239.5 Ų39.523%0.22522%0.215CC..EExtended strand (participates in β ladder)trans-82.5105.4173.2-65.3-5.2000108.7L191 Y204 V314 L327L191-N325 HydrophobicContact CD2-CB 4.44Å; L191-N325 VanDerWaalsContact CD2-ND2 3.3Å; L191-N325 WeakPolarHBondContact CD2-ND2 3.38Å; Y204-N325 PolarHBondContact OH-ND2 3.36Å; V314-N325 HydrophobicContact CG1-CB 3.86Å; N325-L327 WeakPolarHBondContact O-CD1 3.43Å
326V97.6Very high93.7Very high0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-88.1119174.2-173.70000108.7V314 H315 V317 Y324 F328 K338 I340 P404 Y405V314-V326 WeakPolarHBondContact CA-O 3.49Å; H315-V326 PolarHBondContact N-O 3.27Å; H315-V326 PolarHBondContact O-N 3.32Å; V317-V326 HydrophobicContact CB-CG2 4.44Å; V317-V326 HydrophobicContact CG2-CB 4.46Å; V317-V326 HydrophobicContact CG2-CG2 3.63Å; Y324-V326 PolarHBondContact O-N 3.02Å; V326-F328 HydrophobicContact CB-CE2 4.23Å; V326-F328 HydrophobicContact CG1-CD2 4.35Å; V326-F328 HydrophobicContact CG1-CE1 4.26Å; V326-F328 HydrophobicContact CG1-CE2 3.82Å; V326-F328 HydrophobicContact CG1-CZ 3.78Å; V326-K338 HydrophobicContact CG1-CG 3.77Å; V326-I340 HydrophobicContact CB-CG2 4.18Å; V326-I340 HydrophobicContact CG1-CG2 4.26Å; V326-I340 HydrophobicContact CG2-CG2 3.72Å; V326-P404 HydrophobicContact CG2-CB 4.39Å; V326-P404 HydrophobicContact CG2-CG 3.93Å; V326-Y405 HydrophobicContact CB-CE2 4.28Å; V326-Y405 HydrophobicContact CG1-CE2 4.14Å; V326-Y405 HydrophobicContact CG2-CE2 3.95Å
327L98.4Very high93.8Very high2 Ų236.6 Ų36.61%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-90.6130.5174.8-74.563.5000108.6Y204 V221 I312 V314 N325 I329 K338 A339 M346Y204-L327 HydrophobicContact CD1-CD1 4.47Å; Y204-L327 HydrophobicContact CD1-CD2 4.25Å; Y204-L327 HydrophobicContact CD1-CG 4.46Å; Y204-L327 HydrophobicContact CE1-CD1 4.07Å; Y204-L327 HydrophobicContact CE1-CD2 4.42Å; V221-L327 HydrophobicContact CG1-CD2 3.89Å; I312-L327 HydrophobicContact CD1-CD2 3.97Å; I312-L327 HydrophobicContact CD1-CG 4.15Å; V314-L327 HydrophobicContact CG1-CD1 4.08Å; V314-L327 HydrophobicContact CG2-CD1 4.42Å; V314-L327 HydrophobicContact CG2-CG 4.03Å; N325-L327 WeakPolarHBondContact O-CD1 3.43Å; L327-I329 HydrophobicContact CB-CD1 4.24Å; L327-I329 HydrophobicContact CB-CG1 4.09Å; L327-I329 HydrophobicContact CD2-CD1 4.43Å; L327-K338 CarbonylContact O-C 3.49Å; L327-K338 WeakPolarHBondContact O-CA 3.46Å; L327-A339 PolarHBondContact N-O 3.11Å; L327-A339 PolarHBondContact O-N 2.9Å; L327-M346 HydrophobicContact CD1-CE 4.43Å; L327-M346 HydrophobicContact CD2-CE 3.95Å
328F98.6Very high94.1Very high4 Ų436.3 Ų36.32%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-113.7120.4167.3-58.1-89.4000107.9I312 V313 H315 V326 L336 H337 K338 L373 L386 Y405I312-F328 WeakPolarHBondContact CA-O 3.17Å; V313-F328 HydrophobicContact CG2-CB 3.91Å; V313-F328 HydrophobicContact CG2-CD2 4.24Å; V313-F328 PolarHBondContact N-O 3.42Å; V313-F328 PolarHBondContact O-N 2.74Å; H315-F328 HydrophobicContact CB-CE2 4.39Å; V326-F328 HydrophobicContact CB-CE2 4.23Å; V326-F328 HydrophobicContact CG1-CD2 4.35Å; V326-F328 HydrophobicContact CG1-CE1 4.26Å; V326-F328 HydrophobicContact CG1-CE2 3.82Å; V326-F328 HydrophobicContact CG1-CZ 3.78Å; F328-L336 HydrophobicContact CB-CD1 4.2Å; F328-L336 HydrophobicContact CD1-CD2 4.29Å; F328-H337 WeakPolarHBondContact CA-O 3.24Å; F328-K338 HydrophobicContact CD1-CB 4.07Å; F328-K338 HydrophobicContact CD1-CD 4.48Å; F328-K338 HydrophobicContact CD1-CG 3.94Å; F328-K338 HydrophobicContact CE1-CB 4.22Å; F328-K338 HydrophobicContact CE1-CD 3.82Å; F328-K338 HydrophobicContact CE1-CG 3.66Å; F328-K338 HydrophobicContact CZ-CG 4.41Å; F328-L373 HydrophobicContact CB-CD1 3.95Å; F328-L373 HydrophobicContact CD1-CD1 3.52Å; F328-L373 HydrophobicContact CD2-CD1 4.15Å; F328-L373 HydrophobicContact CD2-CD2 4.3Å; F328-L373 HydrophobicContact CE1-CD1 3.91Å; F328-L373 HydrophobicContact CG-CD1 3.62Å; F328-L373 HydrophobicContact CG-CD2 4.5Å; F328-L373 HydrophobicContact CZ-CD1 4.38Å; F328-L386 HydrophobicContact CD2-CD2 4.38Å; F328-L386 HydrophobicContact CE1-CD2 4.24Å; F328-L386 HydrophobicContact CE2-CD2 3.5Å; F328-L386 HydrophobicContact CZ-CB 4.18Å; F328-L386 HydrophobicContact CZ-CD2 3.4Å; F328-L386 VanDerWaalsContact CZ-CD2 3.4Å; F328-L386 HydrophobicContact CZ-CG 4.39Å; F328-Y405 AromaticContact CZ-CE2 3.8Å; F328-Y405 HydrophobicContact CZ-CE2 3.8Å
329I98.6Very high94.4Very high0 Ų030.2 Ų30.20%016%0.163CC..EExtended strand (participates in β ladder)trans-127.4119.2-165.3-43.5163.9000109.3V206 V221 L302 Y309 Q311 I312 L327 L336 H337V206-I329 HydrophobicContact CG2-CG2 4.23Å; V221-I329 HydrophobicContact CG2-CD1 3.99Å; L302-I329 HydrophobicContact CD2-CD1 3.73Å; Y309-I329 HydrophobicContact CD1-CB 4.3Å; Y309-I329 HydrophobicContact CD1-CG2 3.44Å; Y309-I329 VanDerWaalsContact CD1-CG2 3.44Å; Y309-I329 HydrophobicContact CD2-CG2 3.86Å; Y309-I329 HydrophobicContact CE1-CB 4.37Å; Y309-I329 HydrophobicContact CE1-CG2 3.92Å; Y309-I329 HydrophobicContact CE2-CG2 4.3Å; Y309-I329 HydrophobicContact CG-CG2 3.43Å; Y309-I329 VanDerWaalsContact CG-CG2 3.43Å; Q311-I329 CarbonylContact O-C 3.49Å; Q311-I329 WeakPolarHBondContact O-CA 3.19Å; Q311-I329 WeakPolarHBondContact O-CG2 3.47Å; I312-I329 HydrophobicContact CD1-CG1 4.34Å; I312-I329 HydrophobicContact CG1-CG1 4.39Å; L327-I329 HydrophobicContact CB-CD1 4.24Å; L327-I329 HydrophobicContact CB-CG1 4.09Å; L327-I329 HydrophobicContact CD2-CD1 4.43Å; I329-L336 WeakPolarHBondContact O-CA 3.26Å; I329-H337 PolarHBondContact N-O 2.94Å; I329-H337 PolarHBondContact O-N 2.86Å
330G98.1Very high94.9Very high0 Ų029.9 Ų29.90%016%0.161CC..EExtended strand (participates in β ladder)trans-83.6148.1179.600000112.7Y309 T310 Q311 R335Y309-G330 CarbonylContact C-O 3.27Å; Y309-G330 VanDerWaalsContact CA-O 3.25Å; Y309-G330 WeakPolarHBondContact CA-O 3.2Å; T310-G330 PolarHBondContact N-O 3.14Å; T310-G330 PolarHBondContact OG1-O 2.74Å; Q311-G330 PolarHBondContact O-N 3.27Å; G330-R335 WeakPolarHBondContact CA-O 3.41Å
331T96.6Very high95.6Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-107162.6174.369.20000112.8V307 R308 Y309 D333 G334 R335 V361V307-T331 HydrophobicContact CG1-CG2 3.62Å; R308-T331 CarbonylContact O-C 3.57Å; R308-T331 VanDerWaalsContact O-CA 3.31Å; R308-T331 WeakPolarHBondContact O-CA 3.3Å; Y309-T331 HydrophobicContact CD1-CG2 4.01Å; Y309-T331 HydrophobicContact CE1-CG2 4.09Å; T331-D333 WeakPolarHBondContact CB-OD1 3.49Å; T331-D333 PolarHBondContact O-N 3.37Å; T331-D333 PolarHBondContact OG1-N 3.32Å; T331-D333 PolarHBondContact OG1-OD1 3.1Å; T331-G334 PolarHBondContact OG1-N 2.91Å; T331-R335 HydrophobicContact CG2-CB 4.01Å; T331-R335 PolarHBondContact N-O 2.9Å; T331-R335 WeakPolarHBondContact OG1-CB 3.46Å; T331-R335 PolarHBondContact OG1-N 2.82Å; T331-R335 PolarHBondContact OG1-O 2.86Å; T331-V361 PolarHBondContact O-N 3.26Å
332D94.4Very high95.9Very high61 Ų6122 Ų2233%0.32611%0.11SC..THydrogen-bonded Turntrans-73-8.2169.368.8-23000113.9R308 T310 P360R308-D332 HydrophobicContact CB-CB 4.39Å; R308-D332 WeakPolarHBondContact CB-OD2 3.48Å; R308-D332 WeakPolarHBondContact CD-OD2 3.4Å; R308-D332 HydrophobicContact CG-CB 4.45Å; R308-D332 PolarHBondContact O-N 2.98Å; T310-D332 HydrophobicContact CG2-CB 3.81Å; D332-P360 VanDerWaalsContact O-CA 3.29Å; D332-P360 WeakPolarHBondContact O-CA 3.48Å; D332-P360 WeakPolarHBondContact O-CG 3.02Å
333D94.2Very high95.8Very high48 Ų4824.3 Ų24.326%0.25712%0.12SC..THydrogen-bonded Turntrans-111.724.8176.573.91.6000114T331 R335 S358T331-D333 WeakPolarHBondContact CB-OD1 3.49Å; T331-D333 PolarHBondContact O-N 3.37Å; T331-D333 PolarHBondContact OG1-N 3.32Å; T331-D333 PolarHBondContact OG1-OD1 3.1Å; D333-R335 IonicContact OD1-NH1 2.85Å; D333-R335 PolarHBondContact OD1-NH1 2.89Å; D333-R335 IonicContact OD2-CZ 3.86Å; D333-R335 IonicContact OD2-NH1 3.24Å; D333-R335 PolarHBondContact OD2-NH1 2.89Å; D333-S358 WeakPolarHBondContact O-CA 3.22Å
334G95.7Very high95.5Very high0 Ų028.1 Ų28.10%014%0.138CC..SBendtrans80.420.6165.100000116.6T331 I354 F355 K359T331-G334 PolarHBondContact OG1-N 2.91Å; G334-I354 WeakPolarHBondContact O-CA 3.4Å; G334-I354 WeakPolarHBondContact O-CB 3.4Å; G334-I354 PolarHBondContact O-N 2.81Å; G334-F355 PolarHBondContact O-N 2.87Å; G334-K359 WeakPolarHBondContact CA-O 3.3Å; G334-K359 PolarHBondContact N-O 2.68Å
335R96.9Very high95.2Very high67 Ų6735.5 Ų35.525%0.25317%0.17SC..EExtended strand (participates in β ladder)trans-104.9160.4175.5-63.2172.4171.780.5-9.6112.4G330 T331 D333 E351 I352 V353G330-R335 WeakPolarHBondContact CA-O 3.41Å; T331-R335 HydrophobicContact CG2-CB 4.01Å; T331-R335 PolarHBondContact N-O 2.9Å; T331-R335 WeakPolarHBondContact OG1-CB 3.46Å; T331-R335 PolarHBondContact OG1-N 2.82Å; T331-R335 PolarHBondContact OG1-O 2.86Å; D333-R335 IonicContact OD1-NH1 2.85Å; D333-R335 PolarHBondContact OD1-NH1 2.89Å; D333-R335 IonicContact OD2-CZ 3.86Å; D333-R335 IonicContact OD2-NH1 3.24Å; D333-R335 PolarHBondContact OD2-NH1 2.89Å; R335-E351 VanDerWaalsContact CD-OE1 3.26Å; R335-E351 WeakPolarHBondContact CD-OE1 3.33Å; R335-E351 HydrophobicContact CG-CG 4.45Å; R335-E351 IonicContact CZ-OE1 2.75Å; R335-E351 IonicContact NE-OE1 3.87Å; R335-E351 PolarHBondContact NE-OE1 2.87Å; R335-I352 CarbonylContact C-O 3.5Å; R335-I352 VanDerWaalsContact CA-O 3.3Å; R335-I352 WeakPolarHBondContact CA-O 3.45Å; R335-V353 HydrophobicContact CG-CG2 4.35Å
336L97.9Very high95.1Very high2 Ų234.5 Ų34.51%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-121.2121.4167.5-17074.6000109.1F328 I329 I352 I354 I364 L373F328-L336 HydrophobicContact CB-CD1 4.2Å; F328-L336 HydrophobicContact CD1-CD2 4.29Å; I329-L336 WeakPolarHBondContact O-CA 3.26Å; L336-I352 HydrophobicContact CB-CB 4.47Å; L336-I352 PolarHBondContact N-O 2.96Å; L336-I352 PolarHBondContact O-N 2.94Å; L336-I354 HydrophobicContact CB-CD1 3.93Å; L336-I354 HydrophobicContact CB-CG1 3.82Å; L336-I354 HydrophobicContact CD2-CD1 4.5Å; L336-I364 HydrophobicContact CD1-CD1 3.64Å; L336-L373 HydrophobicContact CD2-CD1 3.76Å
337H98.1Very high95Very high3 Ų336.4 Ų36.41%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-95128.4168.6-67.1171.9000109.7Y309 F328 I329 I348 E351Y309-H337 AromaticContact CE1-CE1 3.85Å; Y309-H337 AromaticContact CE1-ND1 3.34Å; Y309-H337 VanDerWaalsContact CE1-ND1 3.34Å; Y309-H337 WeakPolarHBondContact CE1-ND1 3.27Å; Y309-H337 AromaticContact CZ-ND1 3.56Å; Y309-H337 PolarHBondContact OH-ND1 3.13Å; F328-H337 WeakPolarHBondContact CA-O 3.24Å; I329-H337 PolarHBondContact N-O 2.94Å; I329-H337 PolarHBondContact O-N 2.86Å; H337-I348 HydrophobicContact CB-CG2 4.4Å; H337-E351 IonicContact NE2-OE2 2.86Å
338K98.3Very high94.9Very high1 Ų138.7 Ų38.70%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-102.3123.4171.1179.9-173.8177176.90109.1V326 L327 F328 I348 I349 E350 L386 D403V326-K338 HydrophobicContact CG1-CG 3.77Å; L327-K338 CarbonylContact O-C 3.49Å; L327-K338 WeakPolarHBondContact O-CA 3.46Å; F328-K338 HydrophobicContact CD1-CB 4.07Å; F328-K338 HydrophobicContact CD1-CD 4.48Å; F328-K338 HydrophobicContact CD1-CG 3.94Å; F328-K338 HydrophobicContact CE1-CB 4.22Å; F328-K338 HydrophobicContact CE1-CD 3.82Å; F328-K338 HydrophobicContact CE1-CG 3.66Å; F328-K338 HydrophobicContact CZ-CG 4.41Å; K338-I348 CarbonylContact O-C 3.58Å; K338-I348 WeakPolarHBondContact O-CA 3.22Å; K338-I349 HydrophobicContact CD-CB 4.4Å; K338-I349 HydrophobicContact CD-CD1 4.41Å; K338-I349 HydrophobicContact CD-CG2 4.37Å; K338-I349 HydrophobicContact CG-CB 4.42Å; K338-I349 HydrophobicContact CG-CD1 4.21Å; K338-I349 PolarHBondContact O-N 3.37Å; K338-E350 HydrophobicContact CB-CG 3.89Å; K338-E350 HydrophobicContact CD-CG 3.79Å; K338-E350 WeakPolarHBondContact CD-OE1 3.34Å; K338-E350 HydrophobicContact CG-CG 4.5Å; K338-E350 PolarHBondContact N-O 2.89Å; K338-E350 IonicContact NZ-OE1 2.67Å; K338-E350 PolarHBondContact NZ-OE1 2.97Å; K338-L386 WeakPolarHBondContact CE-O 3.44Å; K338-L386 PolarHBondContact NZ-O 3.28Å; K338-D403 WeakPolarHBondContact CE-OD1 3.31Å; K338-D403 IonicContact NZ-OD1 2.71Å; K338-D403 PolarHBondContact NZ-OD1 2.92Å; K338-D403 IonicContact NZ-OD2 2.78Å; K338-D403 PolarHBondContact NZ-OD2 3.28Å
339A97.9Very high94.8Very high0 Ų039.7 Ų39.70%019%0.19CC..EExtended strand (participates in β ladder)trans-143.3152.6-171.900000113.3L327 M346 H347 I348L327-A339 PolarHBondContact N-O 3.11Å; L327-A339 PolarHBondContact O-N 2.9Å; A339-M346 HydrophobicContact CB-CE 3.53Å; A339-H347 CarbonylContact C-O 3.54Å; A339-H347 WeakPolarHBondContact CA-O 3.47Å; A339-H347 WeakPolarHBondContact CB-O 3.15Å; A339-I348 HydrophobicContact CB-CG1 4.12Å
340I96.8Very high94.6Very high0 Ų041.3 Ų41.30%020%0.198CC..EExtended strand (participates in β ladder)trans-134.815317949.8166.9000111.3V326 I342 M346 H347 I349 R402 P404 V429V326-I340 HydrophobicContact CB-CG2 4.18Å; V326-I340 HydrophobicContact CG1-CG2 4.26Å; V326-I340 HydrophobicContact CG2-CG2 3.72Å; I340-I342 HydrophobicContact CD1-CD1 3.75Å; I340-I342 HydrophobicContact CD1-CG1 3.75Å; I340-I342 HydrophobicContact CG1-CD1 4.24Å; I340-I342 HydrophobicContact CG1-CG1 4.06Å; I340-M346 VanDerWaalsContact C-CE 3.47Å; I340-M346 VanDerWaalsContact C-SD 3.57Å; I340-M346 WeakPolarHBondContact O-CA 3.49Å; I340-M346 WeakPolarHBondContact O-CE 3.25Å; I340-H347 HydrophobicContact CG1-CB 4.4Å; I340-H347 PolarHBondContact N-O 2.99Å; I340-H347 PolarHBondContact O-N 2.99Å; I340-I349 HydrophobicContact CB-CD1 4.5Å; I340-I349 HydrophobicContact CD1-CD1 4.06Å; I340-I349 HydrophobicContact CD1-CG1 4.36Å; I340-I349 HydrophobicContact CG1-CD1 3.89Å; I340-I349 HydrophobicContact CG1-CG1 4.12Å; I340-I349 HydrophobicContact CG2-CD1 3.92Å; I340-R402 HydrophobicContact CD1-CB 4.32Å; I340-R402 WeakPolarHBondContact CD1-O 3.42Å; I340-P404 HydrophobicContact CD1-CG 4.4Å; I340-P404 HydrophobicContact CG2-CG 4Å; I340-V429 HydrophobicContact CD1-CG1 3.48Å; I340-V429 VanDerWaalsContact CD1-CG1 3.48Å
341N93.9Very high94.5Very high51 Ų5145.9 Ų45.927%0.27322%0.219SC..EExtended strand (participates in β ladder)trans-88.9115.1171.3-171.4-19.6000109.9N344 K345 M346N341-N344 WeakPolarHBondContact OD1-CA 3.42Å; N341-N344 PolarHBondContact OD1-N 2.82Å; N341-K345 PolarHBondContact OD1-N 2.85Å; N341-M346 VanDerWaalsContact CA-SD 3.58Å; N341-M346 HydrophobicContact CB-SD 3.62Å
342I90.7Very high94.4Very high17 Ų1748.2 Ų48.29%0.08723%0.231CC..EExtended strand (participates in β ladder)trans-112.5113173.7-53.4174.9000107.5I340 N344 K345 H347 R402I340-I342 HydrophobicContact CD1-CD1 3.75Å; I340-I342 HydrophobicContact CD1-CG1 3.75Å; I340-I342 HydrophobicContact CG1-CD1 4.24Å; I340-I342 HydrophobicContact CG1-CG1 4.06Å; I342-N344 VanDerWaalsContact C-N 3.32Å; I342-N344 PolarHBondContact O-N 2.88Å; I342-K345 PolarHBondContact N-O 3.32Å; I342-K345 WeakPolarHBondContact O-CB 3.28Å; I342-K345 PolarHBondContact O-N 2.93Å; I342-K345 VanDerWaalsContact O-O 3.05Å; I342-H347 HydrophobicContact CD1-CB 3.69Å; I342-H347 HydrophobicContact CG1-CB 4.27Å; I342-R402 HydrophobicContact CD1-CB 4.14Å; I342-R402 HydrophobicContact CD1-CG 4.34Å
343K87Confident94.5Very high132 Ų13249.3 Ų49.357%0.57424%0.24SC*.THydrogen-bonded Turntrans50.945.4175.7-58.6176.3174.3-176.20114.1K345 E431K343-K345 PolarHBondContact O-N 2.93Å; K343-E431 WeakPolarHBondContact CE-OE1 3.2Å; K343-E431 IonicContact NZ-OE1 2.66Å; K343-E431 PolarHBondContact NZ-OE1 2.96Å; K343-E431 IonicContact NZ-OE2 2.98Å; K343-E431 PolarHBondContact NZ-OE2 3.24Å
344N85Confident94.6Very high153 Ų15348 Ų4882%0.81823%0.232SC*.THydrogen-bonded Turntrans66.514.6-175.3-60.8-13.7000115.6N341 I342N341-N344 WeakPolarHBondContact OD1-CA 3.42Å; N341-N344 PolarHBondContact OD1-N 2.82Å; I342-N344 VanDerWaalsContact C-N 3.32Å; I342-N344 PolarHBondContact O-N 2.88Å
345K89Confident94.5Very high162 Ų16248 Ų4870%0.70423%0.233SC*.EExtended strand (participates in β ladder)trans-117.4125.2171.3-175.7-178.3177.8-173.20109.3N341 I342 K343 H347N341-K345 PolarHBondContact OD1-N 2.85Å; I342-K345 PolarHBondContact N-O 3.32Å; I342-K345 WeakPolarHBondContact O-CB 3.28Å; I342-K345 PolarHBondContact O-N 2.93Å; I342-K345 VanDerWaalsContact O-O 3.05Å; K343-K345 PolarHBondContact O-N 2.93Å; K345-H347 PolarHBondContact O-N 2.91Å
346M93.5Very high93.9Very high21 Ų2155.7 Ų55.710%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-72.6130.3172.6-72-65.1-5400110.9L301 L302 L327 A339 I340 N341L301-M346 HydrophobicContact CB-CG 3.72Å; L301-M346 HydrophobicContact CB-SD 4.17Å; L301-M346 WeakPolarHBondContact O-CB 3.49Å; L301-M346 WeakPolarHBondContact O-CG 3.31Å; L302-M346 HydrophobicContact CB-CB 4.09Å; L302-M346 HydrophobicContact CB-CG 3.98Å; L302-M346 HydrophobicContact CD1-CB 4.11Å; L327-M346 HydrophobicContact CD1-CE 4.43Å; L327-M346 HydrophobicContact CD2-CE 3.95Å; A339-M346 HydrophobicContact CB-CE 3.53Å; I340-M346 VanDerWaalsContact C-CE 3.47Å; I340-M346 VanDerWaalsContact C-SD 3.57Å; I340-M346 WeakPolarHBondContact O-CA 3.49Å; I340-M346 WeakPolarHBondContact O-CE 3.25Å; N341-M346 VanDerWaalsContact CA-SD 3.58Å; N341-M346 HydrophobicContact CB-SD 3.62Å
347H94.4Very high93.3Very high41 Ų4161.2 Ų61.219%0.1929%0.291CS..EExtended strand (participates in β ladder)trans-114.1128.3173169.581.1000108.3A339 I340 I342 K345A339-H347 CarbonylContact C-O 3.54Å; A339-H347 WeakPolarHBondContact CA-O 3.47Å; A339-H347 WeakPolarHBondContact CB-O 3.15Å; I340-H347 HydrophobicContact CG1-CB 4.4Å; I340-H347 PolarHBondContact N-O 2.99Å; I340-H347 PolarHBondContact O-N 2.99Å; I342-H347 HydrophobicContact CD1-CB 3.69Å; I342-H347 HydrophobicContact CG1-CB 4.27Å; K345-H347 PolarHBondContact O-N 2.91Å
348I96.4Very high92.8Very high50 Ų5064.5 Ų64.526%0.25631%0.314SS..EExtended strand (participates in β ladder)trans-91.6117.8173.3-59.3173.7000106.7L302 H337 K338 A339L302-I348 HydrophobicContact CD1-CD1 4.3Å; L302-I348 HydrophobicContact CD1-CG1 4.48Å; L302-I348 HydrophobicContact CD2-CD1 4.49Å; H337-I348 HydrophobicContact CB-CG2 4.4Å; K338-I348 CarbonylContact O-C 3.58Å; K338-I348 WeakPolarHBondContact O-CA 3.22Å; A339-I348 HydrophobicContact CB-CG1 4.12Å
349I96.5Very high92.6Very high24 Ų2467 Ų6712%0.12333%0.325CS..EExtended strand (participates in β ladder)trans-75.9-48.5-177.7-64.9162.3000109.9K338 I340 D403K338-I349 HydrophobicContact CD-CB 4.4Å; K338-I349 HydrophobicContact CD-CD1 4.41Å; K338-I349 HydrophobicContact CD-CG2 4.37Å; K338-I349 HydrophobicContact CG-CB 4.42Å; K338-I349 HydrophobicContact CG-CD1 4.21Å; K338-I349 PolarHBondContact O-N 3.37Å; I340-I349 HydrophobicContact CB-CD1 4.5Å; I340-I349 HydrophobicContact CD1-CD1 4.06Å; I340-I349 HydrophobicContact CD1-CG1 4.36Å; I340-I349 HydrophobicContact CG1-CD1 3.89Å; I340-I349 HydrophobicContact CG1-CG1 4.12Å; I340-I349 HydrophobicContact CG2-CD1 3.92Å; I349-D403 HydrophobicContact CD1-CB 4.44Å; I349-D403 HydrophobicContact CG2-CB 4.07Å
350E95.3Very high92.4Very high34 Ų3469.4 Ų69.416%0.15934%0.341CS..EExtended strand (participates in β ladder)trans-153150.9-177.657.6-168.4148.200111.8K338 I352K338-E350 HydrophobicContact CB-CG 3.89Å; K338-E350 HydrophobicContact CD-CG 3.79Å; K338-E350 WeakPolarHBondContact CD-OE1 3.34Å; K338-E350 HydrophobicContact CG-CG 4.5Å; K338-E350 PolarHBondContact N-O 2.89Å; K338-E350 IonicContact NZ-OE1 2.67Å; K338-E350 PolarHBondContact NZ-OE1 2.97Å; E350-I352 HydrophobicContact CG-CD1 4.31Å; E350-I352 HydrophobicContact CG-CG1 4.2Å
351E95.6Very high92.4Very high96 Ų9669.5 Ų69.545%0.44934%0.342SS..EExtended strand (participates in β ladder)trans-112.1121.5169.2173-178.3135.300107.1R335 H337R335-E351 VanDerWaalsContact CD-OE1 3.26Å; R335-E351 WeakPolarHBondContact CD-OE1 3.33Å; R335-E351 HydrophobicContact CG-CG 4.45Å; R335-E351 IonicContact CZ-OE1 2.75Å; R335-E351 IonicContact NE-OE1 3.87Å; R335-E351 PolarHBondContact NE-OE1 2.87Å; H337-E351 IonicContact NE2-OE2 2.86Å
352I95.4Very high92.5Very high49 Ų4971 Ų7125%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-115.1120.1-177.9-46.3179.5000108.4R335 L336 E350 I354 V384R335-I352 CarbonylContact C-O 3.5Å; R335-I352 VanDerWaalsContact CA-O 3.3Å; R335-I352 WeakPolarHBondContact CA-O 3.45Å; L336-I352 HydrophobicContact CB-CB 4.47Å; L336-I352 PolarHBondContact N-O 2.96Å; L336-I352 PolarHBondContact O-N 2.94Å; E350-I352 HydrophobicContact CG-CD1 4.31Å; E350-I352 HydrophobicContact CG-CG1 4.2Å; I352-I354 HydrophobicContact CB-CD1 4.08Å; I352-I354 HydrophobicContact CG2-CD1 3.74Å; I352-I354 PolarHBondContact O-N 2.82Å; I352-V384 HydrophobicContact CD1-CG1 4.24Å
353V96.1Very high92.7Very high84 Ų8474.7 Ų74.751%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-75.1111.2169.9-179.80000108.1R335R335-V353 HydrophobicContact CG-CG2 4.35Å
354I95.9Very high93.2Very high20 Ų2068.6 Ų68.610%0.10334%0.337CS..  trans-87.8-51.2179.7-51.9-56.4000109.7G334 L336 I352 V375 V382 V384G334-I354 WeakPolarHBondContact O-CA 3.4Å; G334-I354 WeakPolarHBondContact O-CB 3.4Å; G334-I354 PolarHBondContact O-N 2.81Å; L336-I354 HydrophobicContact CB-CD1 3.93Å; L336-I354 HydrophobicContact CB-CG1 3.82Å; L336-I354 HydrophobicContact CD2-CD1 4.5Å; I352-I354 HydrophobicContact CB-CD1 4.08Å; I352-I354 HydrophobicContact CG2-CD1 3.74Å; I352-I354 PolarHBondContact O-N 2.82Å; I354-V375 HydrophobicContact CG1-CG1 4.42Å; I354-V375 HydrophobicContact CG2-CB 4.22Å; I354-V375 HydrophobicContact CG2-CG1 4.01Å; I354-V382 HydrophobicContact CG2-CB 3.85Å; I354-V382 HydrophobicContact CG2-CG1 4.14Å; I354-V382 HydrophobicContact CG2-CG2 3.91Å; I354-V384 HydrophobicContact CD1-CG2 3.86Å
355F94.8Very high93.8Very high1 Ų166.3 Ų66.30%0.00432%0.322CS..  trans-113.3124.2-178.9-53.4-63.2000110G334 K359 V361 V375 E380 V382G334-F355 PolarHBondContact O-N 2.87Å; F355-K359 HydrophobicContact CB-CB 3.88Å; F355-K359 HydrophobicContact CB-CG 4.4Å; F355-K359 HydrophobicContact CD2-CB 4.47Å; F355-K359 WeakPolarHBondContact CD2-O 3.38Å; F355-K359 HydrophobicContact CG-CB 4.22Å; F355-V361 HydrophobicContact CD2-CG2 4.45Å; F355-V361 HydrophobicContact CE2-CG2 4.2Å; F355-V375 HydrophobicContact CE2-CG1 4.19Å; F355-V375 HydrophobicContact CZ-CG1 4.36Å; F355-E380 HydrophobicContact CD1-CB 3.99Å; F355-E380 HydrophobicContact CE1-CB 3.58Å; F355-V382 HydrophobicContact CD1-CG2 4.42Å; F355-V382 HydrophobicContact CE1-CG2 3.77Å; F355-V382 HydrophobicContact CZ-CG2 4.46Å
356R82.6Confident94.1Very high229 Ų22960.3 Ų60.386%0.86430%0.297SS*.THydrogen-bonded Turntrans-75.1-29.7-171.4-66.2-175.2-179.2-1751.5114.1S358R356-S358 PolarHBondContact O-N 3.19Å
357D86.9Confident94.2Very high117 Ų11760.6 Ų60.663%0.62630%0.299SS*.THydrogen-bonded Turntrans-8927.3-177.3-37.6-45.1000112.2K359D357-K359 VanDerWaalsContact C-N 3.26Å; D357-K359 HydrophobicContact CB-CG 4.25Å; D357-K359 PolarHBondContact O-N 2.9Å; D357-K359 WeakPolarHBondContact OD2-CE 3Å; D357-K359 IonicContact OD2-NZ 2.74Å; D357-K359 PolarHBondContact OD2-NZ 2.8Å
358S87.4Confident94.1Very high72 Ų7262.3 Ų62.350%0.50331%0.312SS..  trans51.436.9-174.8-57.20000114.8D333 R356D333-S358 WeakPolarHBondContact O-CA 3.22Å; R356-S358 PolarHBondContact O-N 3.19Å
359K92.6Very high93.8Very high54 Ų5468.8 Ų68.824%0.23534%0.342CS..PPolyproline II helixtrans-73.6131.9179.2-56.1-180-173.9167.40109.8G334 F355 D357 S379 E380G334-K359 WeakPolarHBondContact CA-O 3.3Å; G334-K359 PolarHBondContact N-O 2.68Å; F355-K359 HydrophobicContact CB-CB 3.88Å; F355-K359 HydrophobicContact CB-CG 4.4Å; F355-K359 HydrophobicContact CD2-CB 4.47Å; F355-K359 WeakPolarHBondContact CD2-O 3.38Å; F355-K359 HydrophobicContact CG-CB 4.22Å; D357-K359 VanDerWaalsContact C-N 3.26Å; D357-K359 HydrophobicContact CB-CG 4.25Å; D357-K359 PolarHBondContact O-N 2.9Å; D357-K359 WeakPolarHBondContact OD2-CE 3Å; D357-K359 IonicContact OD2-NZ 2.74Å; D357-K359 PolarHBondContact OD2-NZ 2.8Å; K359-S379 WeakPolarHBondContact CD-OG 3.48Å; K359-S379 PolarHBondContact NZ-OG 3.29Å; K359-E380 IonicContact NZ-OE1 3.72Å; K359-E380 PolarHBondContact NZ-OE1 3.43Å
360P94.8Very high93.6Very high51 Ų5174.4 Ų74.433%0.33137%0.365SS..PPolyproline II helixtrans-55.4144.9-179.7-24.430.4000113.5D332 H362 S377D332-P360 VanDerWaalsContact O-CA 3.29Å; D332-P360 WeakPolarHBondContact O-CA 3.48Å; D332-P360 WeakPolarHBondContact O-CG 3.02Å; P360-H362 PolarHBondContact O-CD2 3.15Å; P360-H362 PolarHBondContact O-N 3.5Å; P360-S377 VanDerWaalsContact O-CB 3.28Å; P360-S377 WeakPolarHBondContact O-CB 3.47Å
361V97.1Very high93.5Very high2 Ų272.9 Ų72.91%0.01236%0.358CS..PPolyproline II helixtrans-74.9117.1162.4177.20000108.2T310 Q311 T331 F355 I364 V375T310-V361 VanDerWaalsContact CB-O 3.31Å; T310-V361 WeakPolarHBondContact CB-O 3.41Å; T310-V361 PolarHBondContact OG1-O 3.04Å; Q311-V361 HydrophobicContact CB-CG1 4.37Å; Q311-V361 HydrophobicContact CG-CG1 4.43Å; T331-V361 PolarHBondContact O-N 3.26Å; F355-V361 HydrophobicContact CD2-CG2 4.45Å; F355-V361 HydrophobicContact CE2-CG2 4.2Å; V361-I364 HydrophobicContact CG1-CD1 4.05Å; V361-I364 HydrophobicContact CG1-CG1 3.67Å; V361-V375 HydrophobicContact CB-CG1 4.49Å; V361-V375 HydrophobicContact CG1-CG1 3.71Å; V361-V375 HydrophobicContact CG2-CG1 4.05Å
362H94.6Very high93.5Very high81 Ų8171.9 Ų71.938%0.37535%0.35SS..  trans-94.6-40.8-177.4-87-100.1000113.3Q311 P360 S376Q311-H362 WeakPolarHBondContact CG-O 3.06Å; Q311-H362 PolarHBondContact OE1-O 2.6Å; P360-H362 PolarHBondContact O-CD2 3.15Å; P360-H362 PolarHBondContact O-N 3.5Å; H362-S376 PolarHBondContact N-O 3.04Å
363Q95.8Very high93.6Very high95 Ų9569.6 Ų69.644%0.44434%0.339SS..EExtended strand (participates in β ladder)trans-146.2149.8175.7-166170.4-11.300110.5E365 S376Q363-E365 PolarHBondContact NE2-OE1 3.1Å; Q363-S376 WeakPolarHBondContact CB-OG 3.47Å; Q363-S376 PolarHBondContact N-OG 3.22Å; Q363-S376 PolarHBondContact O-N 3.46Å; Q363-S376 PolarHBondContact O-OG 2.82Å
364I97.8Very high93.7Very high4 Ų468.7 Ų68.72%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-128.7121.7170.8-54.6167.5000107.7Q311 V313 L336 V361 L373 Y374 V375Q311-I364 HydrophobicContact CB-CD1 3.76Å; Q311-I364 HydrophobicContact CB-CG1 3.97Å; V313-I364 HydrophobicContact CB-CG2 4.47Å; V313-I364 HydrophobicContact CG1-CB 4.08Å; V313-I364 HydrophobicContact CG1-CG2 4.02Å; V313-I364 VanDerWaalsContact CG1-O 3.23Å; V313-I364 WeakPolarHBondContact CG1-O 3.3Å; V313-I364 HydrophobicContact CG2-CB 4.41Å; V313-I364 HydrophobicContact CG2-CG2 3.6Å; L336-I364 HydrophobicContact CD1-CD1 3.64Å; V361-I364 HydrophobicContact CG1-CD1 4.05Å; V361-I364 HydrophobicContact CG1-CG1 3.67Å; I364-L373 HydrophobicContact CG2-CB 4.41Å; I364-L373 HydrophobicContact CG2-CD2 4.18Å; I364-Y374 WeakPolarHBondContact CA-O 3.45Å; I364-V375 HydrophobicContact CG1-CG1 4.38Å; I364-V375 HydrophobicContact CG1-CG2 4.49Å; I364-V375 HydrophobicContact CG2-CG2 4.29Å
365E96.8Very high93.8Very high105 Ų10567.7 Ų67.749%0.49132%0.322SS..EExtended strand (participates in β ladder)trans-109139.2172.2-72.3-60.2157.100111.1Q363 L373 Y374Q363-E365 PolarHBondContact NE2-OE1 3.1Å; E365-L373 CarbonylContact O-C 3.48Å; E365-L373 VanDerWaalsContact O-CA 3.29Å; E365-L373 WeakPolarHBondContact O-CA 3.46Å; E365-Y374 PolarHBondContact N-O 2.89Å; E365-Y374 PolarHBondContact O-N 3.06Å
366L96.6Very high94Very high37 Ų3769 Ų6919%0.19433%0.33CS..EExtended strand (participates in β ladder)trans-108.4111.8-175.8170.161.8000110.9V313 H315 T368 L373 L386V313-L366 HydrophobicContact CB-CB 4.36Å; V313-L366 HydrophobicContact CG2-CB 4.32Å; H315-L366 HydrophobicContact CB-CD1 4.49Å; H315-L366 HydrophobicContact CB-CD2 3.86Å; L366-T368 HydrophobicContact CD1-CG2 4.15Å; L366-T368 HydrophobicContact CD2-CG2 3.98Å; L366-T368 HydrophobicContact CG-CG2 3.83Å; L366-L373 HydrophobicContact CB-CD2 4.13Å; L366-L373 HydrophobicContact CD1-CD2 3.69Å; L366-L373 HydrophobicContact CG-CD2 4.49Å; L366-L386 HydrophobicContact CD1-CD1 4.23Å; L366-L386 HydrophobicContact CD1-CD2 3.69Å
367D95.6Very high94.6Very high27 Ų2758.7 Ų58.714%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-97.7100.8169.9-175.7-31.8000108.8E369 K370 G371 R372 Y374D367-E369 PolarHBondContact OD1-N 3.18Å; D367-K370 WeakPolarHBondContact OD1-CB 3.33Å; D367-K370 PolarHBondContact OD1-N 3.37Å; D367-K370 WeakPolarHBondContact OD2-CD 3.41Å; D367-K370 VanDerWaalsContact OD2-CG 3.31Å; D367-K370 WeakPolarHBondContact OD2-CG 3.37Å; D367-K370 IonicContact OD2-NZ 3.96Å; D367-K370 PolarHBondContact OD2-NZ 3.1Å; D367-G371 CarbonylContact O-C 3.51Å; D367-G371 WeakPolarHBondContact O-CA 3.32Å; D367-G371 PolarHBondContact O-N 2.96Å; D367-R372 PolarHBondContact N-O 3.21Å; D367-R372 PolarHBondContact O-N 3.2Å; D367-Y374 HydrophobicContact CB-CD2 4.43Å; D367-Y374 HydrophobicContact CB-CE2 3.85Å
368T91.3Very high94.8Very high76 Ų7660.4 Ų60.447%0.46630%0.302SS..THydrogen-bonded Turntrans-74-29.4-178.953.90000112.9L366 G371L366-T368 HydrophobicContact CD1-CG2 4.15Å; L366-T368 HydrophobicContact CD2-CG2 3.98Å; L366-T368 HydrophobicContact CG-CG2 3.83Å; T368-G371 PolarHBondContact O-N 3.44Å
369E90.5Very high95Very high187 Ų18760.7 Ų60.787%0.87430%0.304SS*.THydrogen-bonded Turntrans-75.3-54.1-175.9-62.5-17116200112.2D367 G371D367-E369 PolarHBondContact OD1-N 3.18Å; E369-G371 PolarHBondContact O-N 3.37Å
370K92.3Very high95.1Very high142 Ų14261.7 Ų61.762%0.61731%0.31SS*.THydrogen-bonded Turntrans-72.3-19.9168.8-53.3-168.1-156.886.10111.1D367 R372D367-K370 WeakPolarHBondContact OD1-CB 3.33Å; D367-K370 PolarHBondContact OD1-N 3.37Å; D367-K370 WeakPolarHBondContact OD2-CD 3.41Å; D367-K370 VanDerWaalsContact OD2-CG 3.31Å; D367-K370 WeakPolarHBondContact OD2-CG 3.37Å; D367-K370 IonicContact OD2-NZ 3.96Å; D367-K370 PolarHBondContact OD2-NZ 3.1Å; K370-R372 HydrophobicContact CB-CG 4.2Å
371G93Very high95.1Very high1 Ų165.1 Ų65.11%0.0133%0.325CS..THydrogen-bonded Turntrans74.444.1172.400000113.3D367 T368 E369 L386 R417D367-G371 CarbonylContact O-C 3.51Å; D367-G371 WeakPolarHBondContact O-CA 3.32Å; D367-G371 PolarHBondContact O-N 2.96Å; T368-G371 PolarHBondContact O-N 3.44Å; E369-G371 PolarHBondContact O-N 3.37Å; G371-L386 WeakPolarHBondContact O-CG 3.45Å; G371-L386 PolarHBondContact O-N 2.86Å; G371-R417 PolarHBondContact O-NH1 3.31Å; G371-R417 VanDerWaalsContact O-NH1 3.14Å
372R96.3Very high95.1Very high75 Ų7567.1 Ų67.128%0.28334%0.337SS..EExtended strand (participates in β ladder)trans-128.7161.5-172.5-60-54.4-171115.818.6111.8D367 K370 E383 V384D367-R372 PolarHBondContact N-O 3.21Å; D367-R372 PolarHBondContact O-N 3.2Å; K370-R372 HydrophobicContact CB-CG 4.2Å; R372-E383 HydrophobicContact CB-CG 4.08Å; R372-E383 HydrophobicContact CG-CG 4.04Å; R372-E383 IonicContact CZ-OE1 3.74Å; R372-E383 IonicContact NE-OE1 2.78Å; R372-E383 IonicContact NH1-OE1 3.79Å; R372-E383 PolarHBondContact NH1-OE1 2.97Å; R372-E383 IonicContact NH2-OE1 3.95Å; R372-E383 PolarHBondContact NH2-OE1 3.45Å; R372-V384 CarbonylContact C-O 3.53Å; R372-V384 WeakPolarHBondContact CA-O 3.36Å
373L97.7Very high95.3Very high1 Ų167.6 Ų67.61%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-112.2141.9162.7-57.2169.9000108.7V313 F328 L336 I364 E365 L366 V375 E383 V384 L386V313-L373 HydrophobicContact CG2-CD2 3.81Å; F328-L373 HydrophobicContact CB-CD1 3.95Å; F328-L373 HydrophobicContact CD1-CD1 3.52Å; F328-L373 HydrophobicContact CD2-CD1 4.15Å; F328-L373 HydrophobicContact CD2-CD2 4.3Å; F328-L373 HydrophobicContact CE1-CD1 3.91Å; F328-L373 HydrophobicContact CG-CD1 3.62Å; F328-L373 HydrophobicContact CG-CD2 4.5Å; F328-L373 HydrophobicContact CZ-CD1 4.38Å; L336-L373 HydrophobicContact CD2-CD1 3.76Å; I364-L373 HydrophobicContact CG2-CB 4.41Å; I364-L373 HydrophobicContact CG2-CD2 4.18Å; E365-L373 CarbonylContact O-C 3.48Å; E365-L373 VanDerWaalsContact O-CA 3.29Å; E365-L373 WeakPolarHBondContact O-CA 3.46Å; L366-L373 HydrophobicContact CB-CD2 4.13Å; L366-L373 HydrophobicContact CD1-CD2 3.69Å; L366-L373 HydrophobicContact CG-CD2 4.49Å; L373-V375 HydrophobicContact CB-CG2 4.22Å; L373-E383 CarbonylContact O-C 3.56Å; L373-E383 WeakPolarHBondContact O-CA 3.36Å; L373-V384 HydrophobicContact CB-CB 4.28Å; L373-V384 PolarHBondContact N-O 3.05Å; L373-V384 PolarHBondContact O-N 3.11Å; L373-L386 HydrophobicContact CD1-CD2 4.2Å; L373-L386 HydrophobicContact CD2-CD2 3.69Å; L373-L386 HydrophobicContact CG-CD2 3.68Å
374Y98.2Very high95.3Very high65 Ų6563.6 Ų63.626%0.25532%0.321SS..EExtended strand (participates in β ladder)trans-109.1110.3167.7-62.1-72.9000107.7I364 E365 D367 E383I364-Y374 WeakPolarHBondContact CA-O 3.45Å; E365-Y374 PolarHBondContact N-O 2.89Å; E365-Y374 PolarHBondContact O-N 3.06Å; D367-Y374 HydrophobicContact CB-CD2 4.43Å; D367-Y374 HydrophobicContact CB-CE2 3.85Å; Y374-E383 HydrophobicContact CD1-CB 4.15Å; Y374-E383 HydrophobicContact CD1-CG 4.2Å; Y374-E383 HydrophobicContact CE1-CB 3.99Å; Y374-E383 HydrophobicContact CE1-CG 3.71Å; Y374-E383 WeakPolarHBondContact CE1-OE2 3.43Å; Y374-E383 PolarHBondContact OH-OE2 3.41Å
375V98.1Very high95.2Very high0 Ų065.7 Ų65.70%034%0.335CS..EExtended strand (participates in β ladder)trans-109.3124.4-174.1-1750000109.2I354 F355 V361 I364 L373 V382 V384I354-V375 HydrophobicContact CG1-CG1 4.42Å; I354-V375 HydrophobicContact CG2-CB 4.22Å; I354-V375 HydrophobicContact CG2-CG1 4.01Å; F355-V375 HydrophobicContact CE2-CG1 4.19Å; F355-V375 HydrophobicContact CZ-CG1 4.36Å; V361-V375 HydrophobicContact CB-CG1 4.49Å; V361-V375 HydrophobicContact CG1-CG1 3.71Å; V361-V375 HydrophobicContact CG2-CG1 4.05Å; I364-V375 HydrophobicContact CG1-CG1 4.38Å; I364-V375 HydrophobicContact CG1-CG2 4.49Å; I364-V375 HydrophobicContact CG2-CG2 4.29Å; L373-V375 HydrophobicContact CB-CG2 4.22Å; V375-V382 PolarHBondContact N-O 3.4Å; V375-V382 PolarHBondContact O-N 2.74Å; V375-V384 HydrophobicContact CG2-CG2 3.88Å
376S97.3Very high95.2Very high27 Ų2760.7 Ų60.719%0.18931%0.312CS..EExtended strand (participates in β ladder)trans-114.2152.8-176.571.10000113.7H362 Q363 E380H362-S376 PolarHBondContact N-O 3.04Å; Q363-S376 WeakPolarHBondContact CB-OG 3.47Å; Q363-S376 PolarHBondContact N-OG 3.22Å; Q363-S376 PolarHBondContact O-N 3.46Å; Q363-S376 PolarHBondContact O-OG 2.82Å; S376-E380 CarbonylContact C-O 3.56Å; S376-E380 WeakPolarHBondContact CA-O 3.39Å
377S95.6Very high95.1Very high13 Ų1359.3 Ų59.39%0.09131%0.305CS..  trans-124.3-176.3159.365.20000108.7P360 S379 E380P360-S377 VanDerWaalsContact O-CB 3.28Å; P360-S377 WeakPolarHBondContact O-CB 3.47Å; S377-S379 PolarHBondContact O-N 2.99Å; S377-S379 PolarHBondContact OG-N 3Å; S377-E380 PolarHBondContact N-O 3.29Å; S377-E380 PolarHBondContact OG-N 3.29Å; S377-E380 PolarHBondContact OG-O 3.05Å
378L92.3Very high95Very high153 Ų15361.3 Ų61.380%0.80132%0.316SS*.SBendtrans-65.4-16.2175.7-66.3173.7000114.4
379S91.2Very high95.2Very high78 Ų7857.9 Ų57.955%0.54530%0.295SS..SBendtrans-121.3-17-177.464.50000115.3K359 S377K359-S379 WeakPolarHBondContact CD-OG 3.48Å; K359-S379 PolarHBondContact NZ-OG 3.29Å; S377-S379 PolarHBondContact O-N 2.99Å; S377-S379 PolarHBondContact OG-N 3Å
380E93.8Very high95.3Very high76 Ų7653.8 Ų53.836%0.35528%0.283SS..  trans-143.2149.5-167.9-76.2159.7-120.100112.3F355 K359 S376 S377F355-E380 HydrophobicContact CD1-CB 3.99Å; F355-E380 HydrophobicContact CE1-CB 3.58Å; K359-E380 IonicContact NZ-OE1 3.72Å; K359-E380 PolarHBondContact NZ-OE1 3.43Å; S376-E380 CarbonylContact C-O 3.56Å; S376-E380 WeakPolarHBondContact CA-O 3.39Å; S377-E380 PolarHBondContact N-O 3.29Å; S377-E380 PolarHBondContact OG-N 3.29Å; S377-E380 PolarHBondContact OG-O 3.05Å
381L96.4Very high95.2Very high123 Ų12350.2 Ų50.264%0.64427%0.271SS*.EExtended strand (participates in β ladder)trans-127.4128.6172.5-179.168.8000108.7
382V96.9Very high95.2Very high44 Ų4451.8 Ų51.827%0.26728%0.276SS..EExtended strand (participates in β ladder)trans-124.7128.9-176.1179.80000110.3I354 F355 V375 V384I354-V382 HydrophobicContact CG2-CB 3.85Å; I354-V382 HydrophobicContact CG2-CG1 4.14Å; I354-V382 HydrophobicContact CG2-CG2 3.91Å; F355-V382 HydrophobicContact CD1-CG2 4.42Å; F355-V382 HydrophobicContact CE1-CG2 3.77Å; F355-V382 HydrophobicContact CZ-CG2 4.46Å; V375-V382 PolarHBondContact N-O 3.4Å; V375-V382 PolarHBondContact O-N 2.74Å; V382-V384 HydrophobicContact CG1-CG2 4.06Å
383E97.4Very high94.8Very high91 Ų9154.9 Ų54.943%0.42529%0.294SS..EExtended strand (participates in β ladder)trans-85.4122.6168.9-173.8-170.997.200110.2R372 L373 Y374R372-E383 HydrophobicContact CB-CG 4.08Å; R372-E383 HydrophobicContact CG-CG 4.04Å; R372-E383 IonicContact CZ-OE1 3.74Å; R372-E383 IonicContact NE-OE1 2.78Å; R372-E383 IonicContact NH1-OE1 3.79Å; R372-E383 PolarHBondContact NH1-OE1 2.97Å; R372-E383 IonicContact NH2-OE1 3.95Å; R372-E383 PolarHBondContact NH2-OE1 3.45Å; L373-E383 CarbonylContact O-C 3.56Å; L373-E383 WeakPolarHBondContact O-CA 3.36Å; Y374-E383 HydrophobicContact CD1-CB 4.15Å; Y374-E383 HydrophobicContact CD1-CG 4.2Å; Y374-E383 HydrophobicContact CE1-CB 3.99Å; Y374-E383 HydrophobicContact CE1-CG 3.71Å; Y374-E383 WeakPolarHBondContact CE1-OE2 3.43Å; Y374-E383 PolarHBondContact OH-OE2 3.41Å
384V96.7Very high94.4Very high11 Ų1155.4 Ų55.47%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-116.4131.9-179.8-167.60000109.2I352 I354 R372 L373 V375 V382I352-V384 HydrophobicContact CD1-CG1 4.24Å; I354-V384 HydrophobicContact CD1-CG2 3.86Å; R372-V384 CarbonylContact C-O 3.53Å; R372-V384 WeakPolarHBondContact CA-O 3.36Å; L373-V384 HydrophobicContact CB-CB 4.28Å; L373-V384 PolarHBondContact N-O 3.05Å; L373-V384 PolarHBondContact O-N 3.11Å; V375-V384 HydrophobicContact CG2-CG2 3.88Å; V382-V384 HydrophobicContact CG1-CG2 4.06Å
385P95.8Very high94.1Very high48 Ų4853.1 Ų53.131%0.31229%0.292SS..EExtended strand (participates in β ladder)trans-71.5142.5170.531.6-34.4000110.7A387P385-A387 PolarHBondContact O-N 3.14Å; P385-A387 VanDerWaalsContact O-N 3.07Å
386L95.6Very high93.8Very high0 Ų053.1 Ų53.10%029%0.292CS..SBendtrans-59.1-23179.8-69.4171.2000114.1F328 K338 L366 G371 L373 Y405F328-L386 HydrophobicContact CD2-CD2 4.38Å; F328-L386 HydrophobicContact CE1-CD2 4.24Å; F328-L386 HydrophobicContact CE2-CD2 3.5Å; F328-L386 HydrophobicContact CZ-CB 4.18Å; F328-L386 HydrophobicContact CZ-CD2 3.4Å; F328-L386 VanDerWaalsContact CZ-CD2 3.4Å; F328-L386 HydrophobicContact CZ-CG 4.39Å; K338-L386 WeakPolarHBondContact CE-O 3.44Å; K338-L386 PolarHBondContact NZ-O 3.28Å; L366-L386 HydrophobicContact CD1-CD1 4.23Å; L366-L386 HydrophobicContact CD1-CD2 3.69Å; G371-L386 WeakPolarHBondContact O-CG 3.45Å; G371-L386 PolarHBondContact O-N 2.86Å; L373-L386 HydrophobicContact CD1-CD2 4.2Å; L373-L386 HydrophobicContact CD2-CD2 3.69Å; L373-L386 HydrophobicContact CG-CD2 3.68Å; L386-Y405 HydrophobicContact CB-CD1 4.48Å; L386-Y405 HydrophobicContact CB-CE1 3.94Å; L386-Y405 HydrophobicContact CB-CE2 4.07Å; L386-Y405 HydrophobicContact CD1-CE1 4.1Å; L386-Y405 WeakPolarHBondContact O-CE2 3.31Å
387A95.2Very high93.5Very high7 Ų753.4 Ų53.46%0.05829%0.29CS..  trans-154.6157169.300000110.7P385 D403 Y405P385-A387 PolarHBondContact O-N 3.14Å; P385-A387 VanDerWaalsContact O-N 3.07Å; A387-D403 WeakPolarHBondContact CB-OD2 3.4Å; A387-Y405 VanDerWaalsContact CB-CB 3.45Å; A387-Y405 HydrophobicContact CB-CD2 3.86Å; A387-Y405 HydrophobicContact CB-CG 3.85Å
388N93.9Very high93.4Very high69 Ų6953 Ų5337%0.36929%0.287SS..  trans-126.970.5170.6-171.919.9000110.9T390 N391N388-T390 PolarHBondContact O-N 3.08Å; N388-T390 PolarHBondContact OD1-OG1 3.42Å; N388-N391 PolarHBondContact ND2-OD1 2.97Å; N388-N391 VanDerWaalsContact ND2-OD1 3.16Å; N388-N391 VanDerWaalsContact O-CB 3.25Å; N388-N391 WeakPolarHBondContact O-CB 3.38Å; N388-N391 PolarHBondContact O-N 3.18Å
389C94.6Very high93.5Very high5 Ų545.9 Ų45.93%0.03425%0.25CC..G310 helixtrans-58-20.3-172.5-52.60000114.7N391 Y392 C406 C413C389-N391 PolarHBondContact O-N 3.35Å; C389-Y392 PolarHBondContact O-N 3.24Å; C389-C406 WeakPolarHBondContact CA-SG 3.4Å; C389-C406 HydrophobicContact CB-CB 3.81Å; C389-C406 WeakPolarHBondContact CB-SG 3.37Å; C389-C406 WeakPolarHBondContact SG-CA 3.43Å; C389-C406 WeakPolarHBondContact SG-CB 3.01Å; C389-C406 CovalentContact SG-SG 2.04Å; C389-C406 PolarHBondContact SG-SG 2.87Å; C389-C413 WeakPolarHBondContact O-CB 3.4Å
390T92.5Very high93.6Very high101 Ų10142.8 Ų42.862%0.6223%0.227SC*.G310 helixtrans-69-9.217461.30000113.5N388 Y392N388-T390 PolarHBondContact O-N 3.08Å; N388-T390 PolarHBondContact OD1-OG1 3.42Å; T390-Y392 PolarHBondContact O-N 2.81Å
391N91.6Very high93.7Very high66 Ų6639.8 Ų39.835%0.35321%0.214SC..G310 helixtrans-61.9-31.7165-73.8-14.2000111.3N388 C389 R474N388-N391 PolarHBondContact ND2-OD1 2.97Å; N388-N391 VanDerWaalsContact ND2-OD1 3.16Å; N388-N391 VanDerWaalsContact O-CB 3.25Å; N388-N391 WeakPolarHBondContact O-CB 3.38Å; N388-N391 PolarHBondContact O-N 3.18Å; C389-N391 PolarHBondContact O-N 3.35Å; N391-R474 PolarHBondContact O-NH1 3.47Å; N391-R474 VanDerWaalsContact O-NH1 3.13Å; N391-R474 PolarHBondContact O-NH2 3.45Å
392Y92.2Very high93.6Very high34 Ų3435.1 Ų35.113%0.13319%0.188CC..  trans-93.2107.2179.5-44.4-61.1000109.6C389 T390 E397 C406 C413C389-Y392 PolarHBondContact O-N 3.24Å; T390-Y392 PolarHBondContact O-N 2.81Å; Y392-E397 WeakPolarHBondContact CA-OE2 3.23Å; Y392-E397 HydrophobicContact CD1-CB 4.3Å; Y392-C406 HydrophobicContact CD2-CB 4.48Å; Y392-C413 WeakPolarHBondContact O-CB 3.46Å
393Q88.9Confident93.6Very high140 Ų14033.1 Ų33.165%0.65418%0.176SC*.  trans-93.5-23-171.6-62.7-178.51000112.1E397Q393-E397 PolarHBondContact N-OE2 2.81Å
394S89.3Confident93.5Very high13 Ų1328.8 Ų28.89%0.09116%0.156CC..SBendtrans-113162.1178.31000000112.5G396 E397 C398 W408 E523S394-G396 VanDerWaalsContact C-N 3.25Å; S394-G396 PolarHBondContact O-N 3.4Å; S394-G396 PolarHBondContact OG-N 3.11Å; S394-G396 VanDerWaalsContact OG-N 3.11Å; S394-E397 PolarHBondContact N-OE2 2.74Å; S394-E397 PolarHBondContact OG-N 2.85Å; S394-E397 VanDerWaalsContact OG-N 3.07Å; S394-C398 VanDerWaalsContact O-CB 3.29Å; S394-C398 WeakPolarHBondContact O-CB 3.3Å; S394-C398 PolarHBondContact O-N 3.21Å; S394-W408 WeakPolarHBondContact O-CZ3 3.36Å; S394-E523 VanDerWaalsContact CB-CD 3.45Å; S394-E523 WeakPolarHBondContact CB-OE1 3.5Å; S394-E523 WeakPolarHBondContact CB-OE2 3.36Å; S394-E523 PolarHBondContact OG-OE1 3.4Å; S394-E523 PolarHBondContact OG-OE2 3.13Å
395C91Very high93.4Very high17 Ų1728.4 Ų28.412%0.11515%0.153CC..Hα-helixtrans-60.4-39.6172.5-178.20000111.4C398 I399 W408 C438C395-C398 PolarHBondContact O-N 2.81Å; C395-I399 WeakPolarHBondContact O-CB 3.3Å; C395-I399 WeakPolarHBondContact O-CG1 3.2Å; C395-I399 PolarHBondContact O-N 3.37Å; C395-W408 HydrophobicContact CB-CD2 3.79Å; C395-W408 VanDerWaalsContact CB-CE2 3.48Å; C395-W408 HydrophobicContact CB-CE3 4.32Å; C395-W408 HydrophobicContact CB-CG 4.13Å; C395-W408 HydrophobicContact CB-CH2 4.32Å; C395-W408 HydrophobicContact CB-CZ2 3.76Å; C395-W408 VanDerWaalsContact N-CH2 3.3Å; C395-C438 HydrophobicContact CB-CB 3.67Å; C395-C438 WeakPolarHBondContact CB-SG 3.18Å; C395-C438 PolarHBondContact O-SG 2.88Å; C395-C438 WeakPolarHBondContact SG-CA 3.29Å; C395-C438 WeakPolarHBondContact SG-CB 3.19Å; C395-C438 CovalentContact SG-SG 2.04Å; C395-C438 PolarHBondContact SG-SG 2.95Å
396G91.4Very high93.3Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-63.8-52.2179.500000111.2S394 C398 I399 L400S394-G396 VanDerWaalsContact C-N 3.25Å; S394-G396 PolarHBondContact O-N 3.4Å; S394-G396 PolarHBondContact OG-N 3.11Å; S394-G396 VanDerWaalsContact OG-N 3.11Å; G396-C398 VanDerWaalsContact C-N 3.28Å; G396-C398 PolarHBondContact O-N 2.89Å; G396-I399 PolarHBondContact O-N 2.87Å; G396-L400 VanDerWaalsContact O-CB 3.23Å; G396-L400 WeakPolarHBondContact O-CB 3.47Å; G396-L400 WeakPolarHBondContact O-CG 3.32Å; G396-L400 PolarHBondContact O-N 2.03Å
397E91.7Very high93.2Very high33 Ų3326.3 Ų26.315%0.15414%0.139CC..Hα-helixtrans-55.5-43.6174.5-67.2-176.9154.900112.1Y392 Q393 S394 I399 S401 R474Y392-E397 WeakPolarHBondContact CA-OE2 3.23Å; Y392-E397 HydrophobicContact CD1-CB 4.3Å; Q393-E397 PolarHBondContact N-OE2 2.81Å; S394-E397 PolarHBondContact N-OE2 2.74Å; S394-E397 PolarHBondContact OG-N 2.85Å; S394-E397 VanDerWaalsContact OG-N 3.07Å; E397-I399 PolarHBondContact O-N 2.89Å; E397-S401 WeakPolarHBondContact O-CB 3.45Å; E397-S401 PolarHBondContact O-N 3.42Å; E397-R474 WeakPolarHBondContact OE1-CD 3.43Å; E397-R474 IonicContact OE1-CZ 2.85Å; E397-R474 IonicContact OE1-NE 3.53Å; E397-R474 IonicContact OE1-NH1 2.69Å; E397-R474 PolarHBondContact OE1-NH1 3.07Å; E397-R474 IonicContact OE2-CZ 3.43Å; E397-R474 IonicContact OE2-NH1 3.06Å; E397-R474 PolarHBondContact OE2-NH1 2.96Å
398C93.9Very high93.1Very high4 Ų427.7 Ų27.73%0.02714%0.143CC..Hα-helixtrans-62.8-41.1-178.7-168.20000112.1S394 C395 G396 S401 V407 W408 C413S394-C398 VanDerWaalsContact O-CB 3.29Å; S394-C398 WeakPolarHBondContact O-CB 3.3Å; S394-C398 PolarHBondContact O-N 3.21Å; C395-C398 PolarHBondContact O-N 2.81Å; G396-C398 VanDerWaalsContact C-N 3.28Å; G396-C398 PolarHBondContact O-N 2.89Å; C398-S401 PolarHBondContact O-OG 2.82Å; C398-V407 VanDerWaalsContact SG-C 3.56Å; C398-W408 HydrophobicContact CB-CB 4.33Å; C398-W408 HydrophobicContact CB-CE3 3.8Å; C398-W408 PolarHBondContact SG-N 3.1Å; C398-W408 VanDerWaalsContact SG-N 3.43Å; C398-C413 HydrophobicContact CB-CB 3.6Å; C398-C413 WeakPolarHBondContact CB-SG 3.41Å; C398-C413 WeakPolarHBondContact SG-CB 3.5Å; C398-C413 CovalentContact SG-SG 2.03Å; C398-C413 PolarHBondContact SG-SG 2.9Å
399I93.7Very high92.8Very high4 Ų425.3 Ų25.32%0.02113%0.13CC..Hα-helixtrans-80-41179.6-64-61.2000112.1C395 G396 E397 S401 R402 D428 A432 T434 I437C395-I399 WeakPolarHBondContact O-CB 3.3Å; C395-I399 WeakPolarHBondContact O-CG1 3.2Å; C395-I399 PolarHBondContact O-N 3.37Å; G396-I399 PolarHBondContact O-N 2.87Å; E397-I399 PolarHBondContact O-N 2.89Å; I399-S401 VanDerWaalsContact C-N 3.29Å; I399-S401 PolarHBondContact O-N 3.16Å; I399-R402 PolarHBondContact O-N 2.97Å; I399-D428 HydrophobicContact CG2-CB 4.46Å; I399-A432 HydrophobicContact CG2-CB 4.17Å; I399-T434 HydrophobicContact CB-CG2 4.26Å; I399-T434 HydrophobicContact CG2-CG2 4.13Å; I399-I437 HydrophobicContact CD1-CD1 4.14Å; I399-I437 HydrophobicContact CD1-CG2 3.98Å; I399-I437 HydrophobicContact CG1-CD1 4.48Å; I399-I437 HydrophobicContact CG1-CG2 3.96Å; I399-I437 HydrophobicContact CG2-CD1 4.23Å
400L94.1Very high92.3Very high13 Ų1333.8 Ų33.87%0.06817%0.167CC..Hα-helixtrans-68.1-25.7177.6-69.6169.1000113G396 R402 A432 T434 E518 E519 F521G396-L400 VanDerWaalsContact O-CB 3.23Å; G396-L400 WeakPolarHBondContact O-CB 3.47Å; G396-L400 WeakPolarHBondContact O-CG 3.32Å; G396-L400 PolarHBondContact O-N 2.03Å; L400-R402 WeakPolarHBondContact O-CG 3.25Å; L400-R402 PolarHBondContact O-N 2.66Å; L400-R402 VanDerWaalsContact O-N 3.09Å; L400-A432 HydrophobicContact CD2-CB 4.22Å; L400-T434 HydrophobicContact CD1-CG2 4.33Å; L400-T434 HydrophobicContact CD2-CG2 4.13Å; L400-T434 HydrophobicContact CG-CG2 3.85Å; L400-E518 HydrophobicContact CD1-CB 4.06Å; L400-E518 HydrophobicContact CD1-CG 4.2Å; L400-E519 HydrophobicContact CD2-CB 3.94Å; L400-E519 HydrophobicContact CD2-CG 4.32Å; L400-F521 HydrophobicContact CD1-CB 4.01Å; L400-F521 HydrophobicContact CD1-CD1 4.06Å; L400-F521 HydrophobicContact CD1-CG 4.32Å
401S94.2Very high91.9Very high12 Ų1231.1 Ų31.18%0.08416%0.159CC..THydrogen-bonded Turntrans-53.9-27.7171.5760000113.3E397 C398 I399 D403E397-S401 WeakPolarHBondContact O-CB 3.45Å; E397-S401 PolarHBondContact O-N 3.42Å; C398-S401 PolarHBondContact O-OG 2.82Å; I399-S401 VanDerWaalsContact C-N 3.29Å; I399-S401 PolarHBondContact O-N 3.16Å; S401-D403 PolarHBondContact O-N 3.31Å; S401-D403 PolarHBondContact OG-N 2.92Å
402R94.8Very high91.9Very high26 Ų2634.4 Ų34.410%0.09817%0.172CC..  trans51.721.5-173.8-64159.6172.8-79.13.7112.8I340 I342 I399 L400 P404 V429 D430 E431 A432 E519I340-R402 HydrophobicContact CD1-CB 4.32Å; I340-R402 WeakPolarHBondContact CD1-O 3.42Å; I342-R402 HydrophobicContact CD1-CB 4.14Å; I342-R402 HydrophobicContact CD1-CG 4.34Å; I399-R402 PolarHBondContact O-N 2.97Å; L400-R402 WeakPolarHBondContact O-CG 3.25Å; L400-R402 PolarHBondContact O-N 2.66Å; L400-R402 VanDerWaalsContact O-N 3.09Å; R402-P404 VanDerWaalsContact O-CD 3.32Å; R402-P404 WeakPolarHBondContact O-CD 3.45Å; R402-V429 HydrophobicContact CB-CG1 4.36Å; R402-V429 PolarHBondContact NH1-O 2.71Å; R402-V429 VanDerWaalsContact O-CG1 3.27Å; R402-V429 WeakPolarHBondContact O-CG1 3.19Å; R402-V429 WeakPolarHBondContact O-CG2 3.39Å; R402-D430 PolarHBondContact NH1-O 2.67Å; R402-E431 PolarHBondContact NH2-O 2.78Å; R402-E431 VanDerWaalsContact NH2-O 3.16Å; R402-A432 HydrophobicContact CG-CB 3.92Å; R402-A432 VanDerWaalsContact CZ-CB 3.42Å; R402-E519 IonicContact CZ-OE2 2.67Å; R402-E519 IonicContact NE-OE2 2.71Å; R402-E519 PolarHBondContact NE-OE2 3.41Å; R402-E519 IonicContact NH2-OE1 3.86Å; R402-E519 PolarHBondContact NH2-OE1 3.44Å; R402-E519 IonicContact NH2-OE2 2.8Å; R402-E519 PolarHBondContact NH2-OE2 3.47Å
403D96.1Very high91.9Very high2 Ų233 Ų331%0.01117%0.167CC..  trans-77.5117.1-176.5-172.8-1.9000111.5K338 I349 A387 S401 Y405 C406 Q427K338-D403 WeakPolarHBondContact CE-OD1 3.31Å; K338-D403 IonicContact NZ-OD1 2.71Å; K338-D403 PolarHBondContact NZ-OD1 2.92Å; K338-D403 IonicContact NZ-OD2 2.78Å; K338-D403 PolarHBondContact NZ-OD2 3.28Å; I349-D403 HydrophobicContact CD1-CB 4.44Å; I349-D403 HydrophobicContact CG2-CB 4.07Å; A387-D403 WeakPolarHBondContact CB-OD2 3.4Å; S401-D403 PolarHBondContact O-N 3.31Å; S401-D403 PolarHBondContact OG-N 2.92Å; D403-Y405 PolarHBondContact O-N 3.26Å; D403-Y405 VanDerWaalsContact O-N 3.13Å; D403-Y405 VanDerWaalsContact OD1-CD2 3.23Å; D403-Y405 WeakPolarHBondContact OD1-CD2 3.2Å; D403-Y405 PolarHBondContact OD1-N 2.97Å; D403-Y405 VanDerWaalsContact OD1-N 3.09Å; D403-C406 HydrophobicContact CB-CB 4.1Å; D403-C406 PolarHBondContact O-N 3.22Å; D403-C406 PolarHBondContact OD2-SG 3Å; D403-Q427 PolarHBondContact O-NE2 2.81Å
404P95.5Very high92.1Very high0 Ų028.1 Ų28.10%015%0.147CC..THydrogen-bonded Turntrans-60.9-22178.7-23.735.8000114.2V317 T319 Y324 V326 I340 R402 Q427 V429V317-P404 HydrophobicContact CB-CB 4.03Å; V317-P404 HydrophobicContact CG1-CB 3.9Å; T319-P404 HydrophobicContact CG2-CB 3.99Å; Y324-P404 HydrophobicContact CD1-CG 4.44Å; Y324-P404 HydrophobicContact CD2-CB 4.16Å; Y324-P404 HydrophobicContact CD2-CG 4.23Å; Y324-P404 HydrophobicContact CG-CB 4.25Å; Y324-P404 HydrophobicContact CG-CG 3.88Å; V326-P404 HydrophobicContact CG2-CB 4.39Å; V326-P404 HydrophobicContact CG2-CG 3.93Å; I340-P404 HydrophobicContact CD1-CG 4.4Å; I340-P404 HydrophobicContact CG2-CG 4Å; R402-P404 VanDerWaalsContact O-CD 3.32Å; R402-P404 WeakPolarHBondContact O-CD 3.45Å; P404-Q427 PolarHBondContact O-NE2 3.07Å; P404-V429 HydrophobicContact CG-CG1 4.43Å; P404-V429 HydrophobicContact CG-CG2 4.26Å
405Y95.3Very high92.3Very high2 Ų228.2 Ų28.21%0.00815%0.146CC..THydrogen-bonded Turntrans-78-17.7174.9-61.9-74.9000113.6H315 V317 V326 F328 L386 A387 D403 D415 I416H315-Y405 AromaticContact ND1-CE1 3.74Å; H315-Y405 AromaticContact ND1-CZ 3.71Å; H315-Y405 PolarHBondContact ND1-OH 3.3Å; V317-Y405 HydrophobicContact CB-CE1 4.5Å; V317-Y405 HydrophobicContact CG1-CD1 4.15Å; V317-Y405 HydrophobicContact CG1-CE1 4.23Å; V317-Y405 HydrophobicContact CG2-CD1 4.09Å; V317-Y405 HydrophobicContact CG2-CE1 3.42Å; V317-Y405 VanDerWaalsContact CG2-CE1 3.42Å; V317-Y405 HydrophobicContact CG2-CE2 4Å; V317-Y405 WeakPolarHBondContact CG2-OH 3.45Å; V326-Y405 HydrophobicContact CB-CE2 4.28Å; V326-Y405 HydrophobicContact CG1-CE2 4.14Å; V326-Y405 HydrophobicContact CG2-CE2 3.95Å; F328-Y405 AromaticContact CZ-CE2 3.8Å; F328-Y405 HydrophobicContact CZ-CE2 3.8Å; L386-Y405 HydrophobicContact CB-CD1 4.48Å; L386-Y405 HydrophobicContact CB-CE1 3.94Å; L386-Y405 HydrophobicContact CB-CE2 4.07Å; L386-Y405 HydrophobicContact CD1-CE1 4.1Å; L386-Y405 WeakPolarHBondContact O-CE2 3.31Å; A387-Y405 VanDerWaalsContact CB-CB 3.45Å; A387-Y405 HydrophobicContact CB-CD2 3.86Å; A387-Y405 HydrophobicContact CB-CG 3.85Å; D403-Y405 PolarHBondContact O-N 3.26Å; D403-Y405 VanDerWaalsContact O-N 3.13Å; D403-Y405 VanDerWaalsContact OD1-CD2 3.23Å; D403-Y405 WeakPolarHBondContact OD1-CD2 3.2Å; D403-Y405 PolarHBondContact OD1-N 2.97Å; D403-Y405 VanDerWaalsContact OD1-N 3.09Å; Y405-D415 CarbonylContact O-C 3.58Å; Y405-D415 WeakPolarHBondContact O-CA 3.47Å; Y405-I416 WeakPolarHBondContact O-CG2 3.41Å; Y405-I416 PolarHBondContact O-N 2.81Å
406C94.7Very high92.2Very high2 Ų229.1 Ų29.11%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-109.3135-170.1-60.80000112.5C389 Y392 D403 Q427C389-C406 WeakPolarHBondContact CA-SG 3.4Å; C389-C406 HydrophobicContact CB-CB 3.81Å; C389-C406 WeakPolarHBondContact CB-SG 3.37Å; C389-C406 WeakPolarHBondContact SG-CA 3.43Å; C389-C406 WeakPolarHBondContact SG-CB 3.01Å; C389-C406 CovalentContact SG-SG 2.04Å; C389-C406 PolarHBondContact SG-SG 2.87Å; Y392-C406 HydrophobicContact CD2-CB 4.48Å; D403-C406 HydrophobicContact CB-CB 4.1Å; D403-C406 PolarHBondContact O-N 3.22Å; D403-C406 PolarHBondContact OD2-SG 3Å; C406-Q427 PolarHBondContact O-NE2 3.32Å
407V93Very high91.8Very high2 Ų234.3 Ų34.31%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-131.4141177.3-55.20000110.1C398 V414 I416 A419 Q425 Q427C398-V407 VanDerWaalsContact SG-C 3.56Å; V407-V414 HydrophobicContact CG2-CG2 3.8Å; V407-V414 PolarHBondContact N-O 2.77Å; V407-V414 WeakPolarHBondContact O-CG2 3.21Å; V407-V414 PolarHBondContact O-N 3.26Å; V407-I416 HydrophobicContact CG1-CB 4.01Å; V407-I416 HydrophobicContact CG1-CD1 4Å; V407-I416 HydrophobicContact CG1-CG1 3.95Å; V407-A419 HydrophobicContact CG2-CB 4.03Å; V407-Q425 HydrophobicContact CG2-CG 4.34Å; V407-Q427 HydrophobicContact CG1-CB 4.03Å; V407-Q427 HydrophobicContact CG1-CG 4.3Å
408W91.9Very high91.3Very high36 Ų3642 Ų4214%0.13620%0.197CC..EExtended strand (participates in β ladder)trans-80.9129.2170.8-174.7-107.4000109.4S394 C395 C398 G411 Q412 C413 Q426S394-W408 WeakPolarHBondContact O-CZ3 3.36Å; C395-W408 HydrophobicContact CB-CD2 3.79Å; C395-W408 VanDerWaalsContact CB-CE2 3.48Å; C395-W408 HydrophobicContact CB-CE3 4.32Å; C395-W408 HydrophobicContact CB-CG 4.13Å; C395-W408 HydrophobicContact CB-CH2 4.32Å; C395-W408 HydrophobicContact CB-CZ2 3.76Å; C395-W408 VanDerWaalsContact N-CH2 3.3Å; C398-W408 HydrophobicContact CB-CB 4.33Å; C398-W408 HydrophobicContact CB-CE3 3.8Å; C398-W408 PolarHBondContact SG-N 3.1Å; C398-W408 VanDerWaalsContact SG-N 3.43Å; W408-G411 WeakPolarHBondContact CH2-O 3.42Å; W408-G411 VanDerWaalsContact CZ2-CA 3.42Å; W408-Q412 VanDerWaalsContact CZ3-C 3.4Å; W408-C413 HydrophobicContact CE3-CB 4.01Å; W408-C413 VanDerWaalsContact CE3-N 3.35Å; W408-C413 HydrophobicContact CZ3-CB 4.31Å; W408-Q426 HydrophobicContact CB-CB 4.26Å; W408-Q426 PolarHBondContact N-O 2.86Å; W408-Q426 PolarHBondContact O-N 2.78Å
409N88.5Confident90Very high19 Ų1942.5 Ų42.510%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-149.1123.3-174.7-171.1-0000110G411 Q412 V414N409-G411 PolarHBondContact O-N 2.87Å; N409-Q412 PolarHBondContact N-O 2.75Å; N409-Q412 PolarHBondContact O-N 3.25Å; N409-Q412 VanDerWaalsContact O-O 3.09Å; N409-V414 HydrophobicContact CB-CG2 3.72Å
410K83.7Confident88.7Confident184 Ų18447 Ų4780%0.823%0.231SC*.THydrogen-bonded Turntrans49.230.5174.5-66.4174.5-176.3-178.60115.8
411G85.4Confident87.3Confident44 Ų4451.5 Ų51.545%0.45427%0.27SS..THydrogen-bonded Turntrans94.810.8177.900000115.6W408 N409W408-G411 WeakPolarHBondContact CH2-O 3.42Å; W408-G411 VanDerWaalsContact CZ2-CA 3.42Å; N409-G411 PolarHBondContact O-N 2.87Å
412Q90.9Very high85.8Confident135 Ų13553.2 Ų53.263%0.63128%0.282SS*.EExtended strand (participates in β ladder)trans-137.1151.5174.4-65.9-178-19.800110.9W408 N409 V414W408-Q412 VanDerWaalsContact CZ3-C 3.4Å; N409-Q412 PolarHBondContact N-O 2.75Å; N409-Q412 PolarHBondContact O-N 3.25Å; N409-Q412 VanDerWaalsContact O-O 3.09Å; Q412-V414 HydrophobicContact CB-CG1 4.27Å
413C92.9Very high84.2Confident5 Ų560.5 Ų60.53%0.03432%0.322CS..EExtended strand (participates in β ladder)trans-87.2125.7168.5-159.80000109.2C389 Y392 C398 W408C389-C413 WeakPolarHBondContact O-CB 3.4Å; Y392-C413 WeakPolarHBondContact O-CB 3.46Å; C398-C413 HydrophobicContact CB-CB 3.6Å; C398-C413 WeakPolarHBondContact CB-SG 3.41Å; C398-C413 WeakPolarHBondContact SG-CB 3.5Å; C398-C413 CovalentContact SG-SG 2.03Å; C398-C413 PolarHBondContact SG-SG 2.9Å; W408-C413 HydrophobicContact CE3-CB 4.01Å; W408-C413 VanDerWaalsContact CE3-N 3.35Å; W408-C413 HydrophobicContact CZ3-CB 4.31Å
414V93.1Very high82.9Confident38 Ų3862.6 Ų62.623%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-134.1155.4-172.1-63.60000111.4V407 N409 Q412 A419V407-V414 HydrophobicContact CG2-CG2 3.8Å; V407-V414 PolarHBondContact N-O 2.77Å; V407-V414 WeakPolarHBondContact O-CG2 3.21Å; V407-V414 PolarHBondContact O-N 3.26Å; N409-V414 HydrophobicContact CB-CG2 3.72Å; Q412-V414 HydrophobicContact CB-CG1 4.27Å; V414-A419 HydrophobicContact CG2-CB 3.88Å
415D91.9Very high82.2Confident14 Ų1465.1 Ų65.18%0.07535%0.352CS..EExtended strand (participates in β ladder)trans-69.6127.7175-168.5-53.1000110.5Y405 R417 R418 A419Y405-D415 CarbonylContact O-C 3.58Å; Y405-D415 WeakPolarHBondContact O-CA 3.47Å; D415-R417 PolarHBondContact O-N 3.33Å; D415-R417 VanDerWaalsContact O-N 3.15Å; D415-R417 WeakPolarHBondContact OD1-CB 3.06Å; D415-R417 WeakPolarHBondContact OD1-CG 3.43Å; D415-R417 IonicContact OD1-CZ 3.6Å; D415-R417 PolarHBondContact OD1-N 2.79Å; D415-R417 IonicContact OD1-NE 2.68Å; D415-R417 PolarHBondContact OD1-NE 2.85Å; D415-R417 IonicContact OD1-NH2 2.74Å; D415-R417 IonicContact OD2-CZ 3.75Å; D415-R417 IonicContact OD2-NE 2.99Å; D415-R417 PolarHBondContact OD2-NE 2.89Å; D415-R417 IonicContact OD2-NH2 3.68Å; D415-R417 PolarHBondContact OD2-NH2 2.74Å; D415-R418 HydrophobicContact CB-CB 4.33Å; D415-R418 HydrophobicContact CB-CG 4.17Å; D415-R418 CarbonylContact O-C 3.42Å; D415-R418 WeakPolarHBondContact O-CA 3.21Å; D415-R418 PolarHBondContact O-N 2.72Å; D415-A419 PolarHBondContact O-N 3.3Å
416I89Confident81.9Confident36 Ų3668.5 Ų68.519%0.18537%0.368CS..THydrogen-bonded Turntrans-56-30.6-179.5-163.6170.5000112.5Y405 V407 R418 A419Y405-I416 WeakPolarHBondContact O-CG2 3.41Å; Y405-I416 PolarHBondContact O-N 2.81Å; V407-I416 HydrophobicContact CG1-CB 4.01Å; V407-I416 HydrophobicContact CG1-CD1 4Å; V407-I416 HydrophobicContact CG1-CG1 3.95Å; I416-R418 VanDerWaalsContact C-N 3.28Å; I416-R418 PolarHBondContact O-N 3.37Å; I416-A419 PolarHBondContact O-N 3.42Å
417R83.8Confident81.7Confident109 Ų10970.1 Ų70.141%0.41138%0.375SS..THydrogen-bonded Turntrans-75-17.6178.3-54.1168.9-69172.7-1.3112.8G371 D415G371-R417 PolarHBondContact O-NH1 3.31Å; G371-R417 VanDerWaalsContact O-NH1 3.14Å; D415-R417 PolarHBondContact O-N 3.33Å; D415-R417 VanDerWaalsContact O-N 3.15Å; D415-R417 WeakPolarHBondContact OD1-CB 3.06Å; D415-R417 WeakPolarHBondContact OD1-CG 3.43Å; D415-R417 IonicContact OD1-CZ 3.6Å; D415-R417 PolarHBondContact OD1-N 2.79Å; D415-R417 IonicContact OD1-NE 2.68Å; D415-R417 PolarHBondContact OD1-NE 2.85Å; D415-R417 IonicContact OD1-NH2 2.74Å; D415-R417 IonicContact OD2-CZ 3.75Å; D415-R417 IonicContact OD2-NE 2.99Å; D415-R417 PolarHBondContact OD2-NE 2.89Å; D415-R417 IonicContact OD2-NH2 3.68Å; D415-R417 PolarHBondContact OD2-NH2 2.74Å
418R80.1Confident81.6Confident196 Ų19670.6 Ų70.674%0.7438%0.378SS*.THydrogen-bonded Turntrans-105.5-14.9177.3-59.6-177.8-178.3176.51.5112.6D415 I416 P420D415-R418 HydrophobicContact CB-CB 4.33Å; D415-R418 HydrophobicContact CB-CG 4.17Å; D415-R418 CarbonylContact O-C 3.42Å; D415-R418 WeakPolarHBondContact O-CA 3.21Å; D415-R418 PolarHBondContact O-N 2.72Å; I416-R418 VanDerWaalsContact C-N 3.28Å; I416-R418 PolarHBondContact O-N 3.37Å; R418-P420 WeakPolarHBondContact O-CD 3.24Å
419A67.6Low81.6Confident13 Ų1369 Ų6911%0.10737%0.372CS..SBendtrans-84.3116.7-179.400000110.6V407 V414 D415 I416 A421 Q425V407-A419 HydrophobicContact CG2-CB 4.03Å; V414-A419 HydrophobicContact CG2-CB 3.88Å; D415-A419 PolarHBondContact O-N 3.3Å; I416-A419 PolarHBondContact O-N 3.42Å; A419-A421 PolarHBondContact O-N 2.95Å; A419-Q425 PolarHBondContact O-NE2 2.87Å
420P65.5Low81.8Confident100 Ų10069.4 Ų69.465%0.64937%0.374SS*.PPolyproline II helixtrans-60.9134.7173.626-33.7000109.8R418 S422 Q425R418-P420 WeakPolarHBondContact O-CD 3.24Å; P420-S422 WeakPolarHBondContact O-CB 3.49Å; P420-S422 PolarHBondContact O-N 2.88Å; P420-S422 VanDerWaalsContact O-N 3.11Å; P420-Q425 PolarHBondContact O-NE2 2.74Å
421A64.6Low82.1Confident107 Ų10765.6 Ų65.688%0.88436%0.359SS*.PPolyproline II helixtrans-53.5117.5-178.700000110.2A419A419-A421 PolarHBondContact O-N 2.95Å
422S64.1Low82.3Confident48 Ų4863.7 Ų63.734%0.33634%0.339SS..  trans-153.6139.3-169.3-172.90000110.9P420 A424 Q425P420-S422 WeakPolarHBondContact O-CB 3.49Å; P420-S422 PolarHBondContact O-N 2.88Å; P420-S422 VanDerWaalsContact O-N 3.11Å; S422-A424 PolarHBondContact O-N 3.22Å; S422-Q425 WeakPolarHBondContact O-CG 3.48Å; S422-Q425 PolarHBondContact O-N 3.13Å
423N60.8Low82.3Confident178 Ų17860.3 Ų60.395%0.95233%0.325SS*.THydrogen-bonded Turntrans-62.7-4.3179.3-55.5-0.2000113.7
424A68.4Low82.1Confident46 Ų4660.6 Ų60.638%0.3833%0.327SS..THydrogen-bonded Turntrans-97.2-0.617500000114.1S422S422-A424 PolarHBondContact O-N 3.22Å
425Q81.6Confident81.7Confident54 Ų5462.5 Ų62.525%0.25234%0.342SS..  trans-72.2133.6172.4-65.8-173.612.500110.5V407 A419 P420 S422V407-Q425 HydrophobicContact CG2-CG 4.34Å; A419-Q425 PolarHBondContact O-NE2 2.87Å; P420-Q425 PolarHBondContact O-NE2 2.74Å; S422-Q425 WeakPolarHBondContact O-CG 3.48Å; S422-Q425 PolarHBondContact O-N 3.13Å
426Q87.9Confident81.3Confident73 Ų7365.9 Ų65.934%0.34136%0.363SS..BIsolated β-bridgetrans-127.8125.9-178.8-68.2179.1-26.400110.5W408 I437W408-Q426 HydrophobicContact CB-CB 4.26Å; W408-Q426 PolarHBondContact N-O 2.86Å; W408-Q426 PolarHBondContact O-N 2.78Å; Q426-I437 HydrophobicContact CB-CG2 3.69Å; Q426-I437 HydrophobicContact CG-CG2 4.1Å
427Q90.6Very high81.2Confident36 Ų3665.6 Ų65.617%0.16836%0.361CS..  trans-154.4139.8-179.5-170.3-173.956.700110.1D403 P404 C406 V407 V429D403-Q427 PolarHBondContact O-NE2 2.81Å; P404-Q427 PolarHBondContact O-NE2 3.07Å; C406-Q427 PolarHBondContact O-NE2 3.32Å; V407-Q427 HydrophobicContact CG1-CB 4.03Å; V407-Q427 HydrophobicContact CG1-CG 4.3Å; Q427-V429 HydrophobicContact CG-CG2 4.18Å
428D90.6Very high81.3Confident12 Ų1261.6 Ų61.66%0.06435%0.35CS..  trans-151.970.7177.7-170.533.4000113.5K321 I399 D430 E431 A432 N433 I437K321-D428 IonicContact NZ-OD1 3.21Å; K321-D428 PolarHBondContact NZ-OD1 3.21Å; I399-D428 HydrophobicContact CG2-CB 4.46Å; D428-D430 VanDerWaalsContact C-N 3.29Å; D428-D430 PolarHBondContact O-N 2.98Å; D428-E431 WeakPolarHBondContact OD2-CB 3.33Å; D428-A432 WeakPolarHBondContact O-CA 3.05Å; D428-A432 PolarHBondContact O-N 3.16Å; D428-A432 PolarHBondContact OD2-N 2.79Å; D428-N433 PolarHBondContact OD2-N 2.66Å; D428-I437 HydrophobicContact CB-CD1 3.45Å; D428-I437 VanDerWaalsContact CB-CD1 3.45Å
429V92.9Very high81.1Confident2 Ų260.9 Ų60.91%0.01235%0.347CS..THydrogen-bonded Turntrans-58.3-35.6-178.6173.10000113.5Y324 I340 R402 P404 Q427Y324-V429 HydrophobicContact CD1-CG1 3.83Å; Y324-V429 HydrophobicContact CE1-CB 3.86Å; Y324-V429 HydrophobicContact CE1-CG1 3.32Å; Y324-V429 HydrophobicContact CE2-CB 4.14Å; Y324-V429 HydrophobicContact CE2-CG1 4.35Å; Y324-V429 HydrophobicContact CE2-CG2 4.33Å; I340-V429 HydrophobicContact CD1-CG1 3.48Å; I340-V429 VanDerWaalsContact CD1-CG1 3.48Å; R402-V429 HydrophobicContact CB-CG1 4.36Å; R402-V429 PolarHBondContact NH1-O 2.71Å; R402-V429 VanDerWaalsContact O-CG1 3.27Å; R402-V429 WeakPolarHBondContact O-CG1 3.19Å; R402-V429 WeakPolarHBondContact O-CG2 3.39Å; P404-V429 HydrophobicContact CG-CG1 4.43Å; P404-V429 HydrophobicContact CG-CG2 4.26Å; Q427-V429 HydrophobicContact CG-CG2 4.18Å
430D91.7Very high80.5Confident28 Ų2869.6 Ų69.615%0.1538%0.382CS..THydrogen-bonded Turntrans-72.4-50.3-174.7-78.6-41.3000113.2K322 Y324 R402 D428K322-D430 IonicContact NZ-OD1 2.66Å; K322-D430 PolarHBondContact NZ-OD1 3.35Å; K322-D430 IonicContact NZ-OD2 3.35Å; K322-D430 PolarHBondContact NZ-OD2 2.85Å; Y324-D430 VanDerWaalsContact OH-CG 3.32Å; Y324-D430 PolarHBondContact OH-OD2 3.04Å; R402-D430 PolarHBondContact NH1-O 2.67Å; D428-D430 VanDerWaalsContact C-N 3.29Å; D428-D430 PolarHBondContact O-N 2.98Å
431E90.6Very high79.3Confident104 Ų10470.8 Ų70.849%0.48639%0.39SS..THydrogen-bonded Turntrans-105.1-22.5-175.9-45.1-64.3175.900113.8K343 R402 D428 N433K343-E431 WeakPolarHBondContact CE-OE1 3.2Å; K343-E431 IonicContact NZ-OE1 2.66Å; K343-E431 PolarHBondContact NZ-OE1 2.96Å; K343-E431 IonicContact NZ-OE2 2.98Å; K343-E431 PolarHBondContact NZ-OE2 3.24Å; R402-E431 PolarHBondContact NH2-O 2.78Å; R402-E431 VanDerWaalsContact NH2-O 3.16Å; D428-E431 WeakPolarHBondContact OD2-CB 3.33Å; E431-N433 VanDerWaalsContact C-N 3.33Å; E431-N433 HydrophobicContact CB-CB 4.41Å; E431-N433 PolarHBondContact O-N 3.15Å
432A90.9Very high77.8Confident4 Ų470.3 Ų70.33%0.03338%0.381CS..  trans52.940.7-169.300000114.4I399 L400 R402 D428 T434I399-A432 HydrophobicContact CG2-CB 4.17Å; L400-A432 HydrophobicContact CD2-CB 4.22Å; R402-A432 HydrophobicContact CG-CB 3.92Å; R402-A432 VanDerWaalsContact CZ-CB 3.42Å; D428-A432 WeakPolarHBondContact O-CA 3.05Å; D428-A432 PolarHBondContact O-N 3.16Å; D428-A432 PolarHBondContact OD2-N 2.79Å; A432-T434 VanDerWaalsContact C-N 3.34Å; A432-T434 PolarHBondContact O-N 2.87Å
433N89.1Confident76.4Confident63 Ų6374.6 Ų74.634%0.33741%0.407SS..  trans-75.378.2-170.4-166.8-18000114.4D428 E431 S435 V436 I437D428-N433 PolarHBondContact OD2-N 2.66Å; E431-N433 VanDerWaalsContact C-N 3.33Å; E431-N433 HydrophobicContact CB-CB 4.41Å; E431-N433 PolarHBondContact O-N 3.15Å; N433-S435 PolarHBondContact O-N 3.2Å; N433-S435 PolarHBondContact OD1-N 2.94Å; N433-S435 PolarHBondContact OD1-OG 3.09Å; N433-V436 PolarHBondContact O-N 2.84Å; N433-V436 PolarHBondContact OD1-N 2.89Å; N433-I437 WeakPolarHBondContact O-CG1 3.26Å; N433-I437 PolarHBondContact O-N 2.84Å
434T89.4Confident75.1Confident12 Ų1276.9 Ų76.97%0.07440%0.402CS..Hα-helixtrans-56.5-31.8175.161.30000113.2I399 L400 A432 V436 I437 C438 F521I399-T434 HydrophobicContact CB-CG2 4.26Å; I399-T434 HydrophobicContact CG2-CG2 4.13Å; L400-T434 HydrophobicContact CD1-CG2 4.33Å; L400-T434 HydrophobicContact CD2-CG2 4.13Å; L400-T434 HydrophobicContact CG-CG2 3.85Å; A432-T434 VanDerWaalsContact C-N 3.34Å; A432-T434 PolarHBondContact O-N 2.87Å; T434-V436 VanDerWaalsContact C-N 3.29Å; T434-V436 PolarHBondContact O-N 3.47Å; T434-I437 PolarHBondContact O-N 3.43Å; T434-C438 WeakPolarHBondContact O-CA 3.41Å; T434-C438 WeakPolarHBondContact O-CB 3.12Å; T434-C438 PolarHBondContact O-N 3.02Å; T434-F521 HydrophobicContact CG2-CB 4.2Å; T434-F521 HydrophobicContact CG2-CD2 4.04Å; T434-F521 HydrophobicContact CG2-CG 4.14Å
435S84.6Confident73.7Confident78 Ų7881 Ų8155%0.54542%0.422SS..Hα-helixtrans-68.4-23.8-175.580.90000114.5N433 R439N433-S435 PolarHBondContact O-N 3.2Å; N433-S435 PolarHBondContact OD1-N 2.94Å; N433-S435 PolarHBondContact OD1-OG 3.09Å; S435-R439 VanDerWaalsContact O-CG 3.29Å; S435-R439 WeakPolarHBondContact O-CG 3.47Å; S435-R439 PolarHBondContact O-NE 3.03Å
436V83.9Confident71.2Confident84 Ų8482.7 Ų82.751%0.50945%0.446SS..Hα-helixtrans-95-43174.8176.60000110.3N433 T434 R439N433-V436 PolarHBondContact O-N 2.84Å; N433-V436 PolarHBondContact OD1-N 2.89Å; T434-V436 VanDerWaalsContact C-N 3.29Å; T434-V436 PolarHBondContact O-N 3.47Å; V436-R439 WeakPolarHBondContact O-CG 3.45Å
437I85.9Confident68.5Low31 Ų3186.2 Ų86.216%0.15947%0.467CS..Hα-helixtrans-80.2-52.7-170-64.1169.6000111.7I399 Q426 D428 N433 T434 R439I399-I437 HydrophobicContact CD1-CD1 4.14Å; I399-I437 HydrophobicContact CD1-CG2 3.98Å; I399-I437 HydrophobicContact CG1-CD1 4.48Å; I399-I437 HydrophobicContact CG1-CG2 3.96Å; I399-I437 HydrophobicContact CG2-CD1 4.23Å; Q426-I437 HydrophobicContact CB-CG2 3.69Å; Q426-I437 HydrophobicContact CG-CG2 4.1Å; D428-I437 HydrophobicContact CB-CD1 3.45Å; D428-I437 VanDerWaalsContact CB-CD1 3.45Å; N433-I437 WeakPolarHBondContact O-CG1 3.26Å; N433-I437 PolarHBondContact O-N 2.84Å; T434-I437 PolarHBondContact O-N 3.43Å; I437-R439 PolarHBondContact O-N 2.99Å; I437-R439 VanDerWaalsContact O-N 3.12Å
438C85.9Confident65.7Low24 Ų2492.3 Ų92.316%0.16250%0.495CS..SBendtrans-87.428.1-171.7-57.80000113.4C395 T434 K440 F521C395-C438 HydrophobicContact CB-CB 3.67Å; C395-C438 WeakPolarHBondContact CB-SG 3.18Å; C395-C438 PolarHBondContact O-SG 2.88Å; C395-C438 WeakPolarHBondContact SG-CA 3.29Å; C395-C438 WeakPolarHBondContact SG-CB 3.19Å; C395-C438 CovalentContact SG-SG 2.04Å; C395-C438 PolarHBondContact SG-SG 2.95Å; T434-C438 WeakPolarHBondContact O-CA 3.41Å; T434-C438 WeakPolarHBondContact O-CB 3.12Å; T434-C438 PolarHBondContact O-N 3.02Å; C438-K440 PolarHBondContact O-N 3.11Å; C438-K440 VanDerWaalsContact O-N 3.13Å; C438-F521 HydrophobicContact CB-CE2 4.42Å
439R75.9Confident62.8Low181 Ų18197 Ų9768%0.68353%0.526SS*.  trans-63.1115.5175.9-72.2-178.2174.8-167.9-0.6109.5S435 V436 I437S435-R439 VanDerWaalsContact O-CG 3.29Å; S435-R439 WeakPolarHBondContact O-CG 3.47Å; S435-R439 PolarHBondContact O-NE 3.03Å; V436-R439 WeakPolarHBondContact O-CG 3.45Å; I437-R439 PolarHBondContact O-N 2.99Å; I437-R439 VanDerWaalsContact O-N 3.12Å
440K55.6Low60.1Low196 Ų196101.8 Ų101.885%0.85256%0.557SS**PPolyproline II helixtrans-53.2128.5166.1-66.6177.8-179.9175.50108C438 S442C438-K440 PolarHBondContact O-N 3.11Å; C438-K440 VanDerWaalsContact O-N 3.13Å; K440-S442 PolarHBondContact O-N 3.04Å
441P40.7Very low57.7Low125 Ų125106.9 Ų106.981%0.81259%0.59SS**PPolyproline II helixtrans-57.5137.616426.1-32.8000108.1
442S32.5Very low55.6Low98 Ų98113.6 Ų113.669%0.68561%0.61SS**PPolyproline II helixtrans-53.3147.9179.9-57.80000111K440 R444K440-S442 PolarHBondContact O-N 3.04Å; S442-R444 PolarHBondContact O-N 2.76Å
443P35.4Very low53.4Low137 Ų137118.6 Ų118.689%0.8964%0.641SS**SBendtrans-70.177.6-179.229.5-35.8000111.5
444R34.1Very low51.8Low226 Ų226118 Ų11885%0.85364%0.641SS**SBendtrans-135.592.2173.1-73-167.3174.2-165.4-1.6109.5S442S442-R444 PolarHBondContact O-N 2.76Å
445V38.5Very low50.8Low132 Ų132122.4 Ų122.480%0.867%0.673SS**  trans59.285.3161.1-164.90000115.5
446A29Very low50.8Low90 Ų90120.7 Ų120.774%0.74466%0.661SS**  trans-131.1104.3156.700000108.4H448A446-H448 PolarHBondContact O-N 3.2Å
447N31Very low51Low147 Ų147122 Ų12279%0.78666%0.661SS**  trans-8138.7-171.8-74.4-5.3000113.9
448H30.8Very low51.1Low165 Ų165124.3 Ų124.376%0.76469%0.685SS**SBendtrans-134.6125.8167.7-74.7-66.7000109.5A446A446-H448 PolarHBondContact O-N 3.2Å
449P29.9Very low51.2Low111 Ų111123.9 Ų123.972%0.72168%0.681SS**  trans-71.7126.8-177.328.3-33.3000110.5T451P449-T451 PolarHBondContact O-N 2.92Å; P449-T451 VanDerWaalsContact O-N 3.13Å
450P37.6Very low51.7Low102 Ų102119.7 Ų119.766%0.66267%0.671SS**  trans-65.4114.3165.627.7-32000108.2R452P450-R452 PolarHBondContact O-N 2.7Å
451T40.7Very low53.2Low135 Ų135110.5 Ų110.583%0.82863%0.631SS**THydrogen-bonded Turntrans-61.7125.3-179.247.80000110.3P449P449-T451 PolarHBondContact O-N 2.92Å; P449-T451 VanDerWaalsContact O-N 3.13Å
452R46.6Very low55.3Low244 Ų244108 Ų10892%0.92162%0.615SS**THydrogen-bonded Turntrans7162.3-172.9-63.2-176.8164.8-177.8-5115.8P450P450-R452 PolarHBondContact O-N 2.7Å
453T44.9Very low57.5Low110 Ų110104.3 Ų104.368%0.67559%0.591SS**  -57.4139.8123.244.70000108.9S455T453-S455 VanDerWaalsContact C-N 3.29Å; T453-S455 PolarHBondContact O-N 2.97Å
454S54.1Low59.3Low49 Ų49104.4 Ų104.434%0.34358%0.584SS.*  trans-73.481.7-179.149.40000111C456 L524 N527S454-C456 PolarHBondContact O-N 2.92Å; S454-L524 WeakPolarHBondContact OG-CD2 3.21Å; S454-N527 PolarHBondContact O-ND2 2.78Å
455S69.8Low61.7Low105 Ų10596.6 Ų96.673%0.73456%0.561SS**  trans-50.4119.3169.255.30000109.4T453 Q457T453-S455 VanDerWaalsContact C-N 3.29Å; T453-S455 PolarHBondContact O-N 2.97Å; S455-Q457 PolarHBondContact O-N 2.94Å
456C83.4Confident63.9Low43 Ų4396.5 Ų96.529%0.29155%0.55SS.*  trans-51.3112.2-171.2-159.10000111.3S454 A458 N527 C529S454-C456 PolarHBondContact O-N 2.92Å; C456-A458 PolarHBondContact O-N 2.91Å; C456-N527 PolarHBondContact SG-OD1 3.2Å; C456-N527 VanDerWaalsContact SG-OD1 3.32Å; C456-C529 HydrophobicContact CB-CB 3.98Å; C456-C529 WeakPolarHBondContact CB-SG 3.46Å; C456-C529 WeakPolarHBondContact SG-CA 3.35Å; C456-C529 WeakPolarHBondContact SG-CB 3.37Å; C456-C529 PolarHBondContact SG-N 3.28Å; C456-C529 CovalentContact SG-SG 2.03Å; C456-C529 PolarHBondContact SG-SG 3.11Å
457Q89.1Confident66.7Low110 Ų11096.9 Ų96.951%0.51454%0.535SS..EExtended strand (participates in β ladder)trans-71.6107.1-174.2179.3175.9-9.100108.9S455 I459 N527 Y528 C529S455-Q457 PolarHBondContact O-N 2.94Å; Q457-I459 HydrophobicContact CG-CG1 4.38Å; Q457-I459 PolarHBondContact O-N 2.83Å; Q457-N527 WeakPolarHBondContact CB-O 3.42Å; Q457-N527 PolarHBondContact N-O 2.82Å; Q457-Y528 HydrophobicContact CB-CD1 3.92Å; Q457-Y528 HydrophobicContact CB-CE1 4.3Å; Q457-Y528 HydrophobicContact CG-CD1 4.25Å; Q457-Y528 HydrophobicContact CG-CE1 4.42Å; Q457-Y528 WeakPolarHBondContact O-CA 3.27Å; Q457-C529 PolarHBondContact O-N 3.18Å
458A87.9Confident69.6Low81 Ų8192.8 Ų92.867%0.66952%0.515SS*.EExtended strand (participates in β ladder)trans-61122.4177.300000110.3C456 C529C456-A458 PolarHBondContact O-N 2.91Å; A458-C529 WeakPolarHBondContact CA-O 3.13Å
459I88Confident72.4Confident15 Ų1584.9 Ų84.98%0.07748%0.479CS..EExtended strand (participates in β ladder)trans-125.1109176.1-71.4-177.7000107.9Q457 I461 K467 L469 Y528 C529 V530 R531Q457-I459 HydrophobicContact CG-CG1 4.38Å; Q457-I459 PolarHBondContact O-N 2.83Å; I459-I461 HydrophobicContact CG2-CD1 4.12Å; I459-I461 HydrophobicContact CG2-CG1 3.82Å; I459-K467 HydrophobicContact CG2-CD 3.9Å; I459-L469 HydrophobicContact CD1-CD2 3.69Å; I459-Y528 HydrophobicContact CD1-CD1 3.33Å; I459-Y528 HydrophobicContact CD1-CE1 3.79Å; I459-Y528 HydrophobicContact CD1-CG 4.12Å; I459-Y528 HydrophobicContact CG1-CD1 4.23Å; I459-C529 PolarHBondContact N-O 3.31Å; I459-V530 HydrophobicContact CB-CG2 4.39Å; I459-V530 CarbonylContact O-C 3.6Å; I459-V530 VanDerWaalsContact O-CA 3.32Å; I459-V530 WeakPolarHBondContact O-CA 3.23Å; I459-R531 PolarHBondContact O-N 3.35Å
460I86.8Confident75.4Confident92 Ų9283.5 Ų83.547%0.47247%0.47SS..EExtended strand (participates in β ladder)trans-84.6135.7171.8-57.8178.5000108E533I460-E533 HydrophobicContact CG2-CB 4.08Å; I460-E533 HydrophobicContact CG2-CG 3.65Å
461I86.4Confident77.9Confident4 Ų479.1 Ų79.12%0.02144%0.441CS..EExtended strand (participates in β ladder)trans-134.7136.9175.8-51.6177.8000106.7I459 A463 T465 K467 V502 A504 V530 R531 G532 E533I459-I461 HydrophobicContact CG2-CD1 4.12Å; I459-I461 HydrophobicContact CG2-CG1 3.82Å; I461-A463 PolarHBondContact O-N 2.03Å; I461-T465 WeakPolarHBondContact CG2-O 3.34Å; I461-T465 WeakPolarHBondContact CG2-OG1 3.44Å; I461-K467 HydrophobicContact CD1-CB 3.5Å; I461-K467 HydrophobicContact CD1-CD 4.24Å; I461-K467 HydrophobicContact CG1-CB 4.11Å; I461-K467 HydrophobicContact CG1-CD 4.1Å; I461-V502 HydrophobicContact CD1-CG2 3.99Å; I461-A504 HydrophobicContact CB-CB 3.69Å; I461-A504 HydrophobicContact CD1-CB 4.17Å; I461-A504 HydrophobicContact CG1-CB 4.32Å; I461-A504 HydrophobicContact CG2-CB 4.2Å; I461-V530 HydrophobicContact CD1-CG1 3.66Å; I461-V530 HydrophobicContact CG1-CG1 4.29Å; I461-R531 PolarHBondContact N-O 3.01Å; I461-R531 VanDerWaalsContact N-O 3.08Å; I461-G532 WeakPolarHBondContact O-CA 3.4Å; I461-E533 PolarHBondContact O-N 3.02Å
462P84.6Confident80.2Confident71 Ų7181.3 Ų81.346%0.46144%0.439SS..EExtended strand (participates in β ladder)trans-55.5136.8169.7-24.434000111.1N464 T465P462-N464 PolarHBondContact O-N 2.92Å; P462-T465 HydrophobicContact CB-CG2 4.11Å; P462-T465 PolarHBondContact O-N 3.41Å; P462-T465 PolarHBondContact O-OG1 3.22Å; P462-T465 VanDerWaalsContact O-OG1 3.06Å
463A78.1Confident82.2Confident22 Ų2271.5 Ų71.518%0.18241%0.405CS..THydrogen-bonded Turntrans-56137.4-178.200000111.6I461 T465 A506 E533I461-A463 PolarHBondContact O-N 2.03Å; A463-T465 PolarHBondContact O-N 3.46Å; A463-A506 HydrophobicContact CB-CB 3.88Å; A463-E533 VanDerWaalsContact CB-O 3.27Å; A463-E533 WeakPolarHBondContact CB-O 3.24Å; A463-E533 PolarHBondContact N-O 3.34Å
464N74.8Confident84.2Confident139 Ų13971.6 Ų71.674%0.74339%0.393SS*.THydrogen-bonded Turntrans65.611.9-176.1-49.1-28.7000115.6P462 A504P462-N464 PolarHBondContact O-N 2.92Å; N464-A504 PolarHBondContact N-O 2.89Å
465T83.4Confident86Confident62 Ų6270.8 Ų70.838%0.3839%0.387SS..  trans-103161.7164.476.40000111.5I461 P462 A463 A504I461-T465 WeakPolarHBondContact CG2-O 3.34Å; I461-T465 WeakPolarHBondContact CG2-OG1 3.44Å; P462-T465 HydrophobicContact CB-CG2 4.11Å; P462-T465 PolarHBondContact O-N 3.41Å; P462-T465 PolarHBondContact O-OG1 3.22Å; P462-T465 VanDerWaalsContact O-OG1 3.06Å; A463-T465 PolarHBondContact O-N 3.46Å; T465-A504 PolarHBondContact O-N 3.08Å
466F85.4Confident87Confident130 Ų13073.7 Ų73.757%0.5740%0.395SS*.EExtended strand (participates in β ladder)trans-103.9158.3-17872.6-90.4000112.1V501 V502 V503F466-V501 HydrophobicContact CB-CG1 4.04Å; F466-V501 HydrophobicContact CD2-CG1 4.03Å; F466-V501 HydrophobicContact CG-CG1 4.35Å; F466-V502 CarbonylContact C-O 3.55Å; F466-V502 VanDerWaalsContact CA-O 3.24Å; F466-V502 WeakPolarHBondContact CA-O 3.38Å; F466-V503 HydrophobicContact CB-CG2 4.01Å
467K88.2Confident87.3Confident97 Ų9777.6 Ų77.642%0.42241%0.412SS..EExtended strand (participates in β ladder)trans-145.2149.2167.7-164.5168-177.7170.30110.2I459 I461 V501 V502I459-K467 HydrophobicContact CG2-CD 3.9Å; I461-K467 HydrophobicContact CD1-CB 3.5Å; I461-K467 HydrophobicContact CD1-CD 4.24Å; I461-K467 HydrophobicContact CG1-CB 4.11Å; I461-K467 HydrophobicContact CG1-CD 4.1Å; K467-V501 WeakPolarHBondContact O-CA 3.22Å; K467-V502 PolarHBondContact N-O 3.42Å; K467-V502 PolarHBondContact O-N 3.1Å
468V90.8Very high87.4Confident61 Ų6172.9 Ų72.937%0.3739%0.392SS..EExtended strand (participates in β ladder)trans-89.2120.9171.5-166.20000109P470 L500 V501V468-P470 WeakPolarHBondContact O-CD 3.2Å; V468-L500 CarbonylContact C-O 3.51Å; V468-L500 WeakPolarHBondContact CA-O 3.26Å; V468-V501 HydrophobicContact CG2-CG2 4.34Å
469L90.9Very high87.6Confident0 Ų075.8 Ų75.80%039%0.392CS..EExtended strand (participates in β ladder)trans-83113.9168.7-56.5-176.8000108.3I459 W482 G499 L500 V502 Y512 Y528 V530I459-L469 HydrophobicContact CD1-CD2 3.69Å; L469-W482 HydrophobicContact CB-CH2 3.79Å; L469-W482 HydrophobicContact CB-CZ3 4.31Å; L469-W482 HydrophobicContact CD1-CZ3 4.41Å; L469-G499 CarbonylContact O-C 3.58Å; L469-G499 WeakPolarHBondContact O-CA 3.44Å; L469-L500 HydrophobicContact CB-CB 4.38Å; L469-L500 PolarHBondContact N-O 2.97Å; L469-L500 PolarHBondContact O-N 3.4Å; L469-V502 HydrophobicContact CD1-CG1 3.69Å; L469-V502 HydrophobicContact CD1-CG2 3.99Å; L469-V502 HydrophobicContact CD2-CG2 4.1Å; L469-V502 HydrophobicContact CG-CG1 4.12Å; L469-V502 HydrophobicContact CG-CG2 3.82Å; L469-Y512 HydrophobicContact CD1-CD1 4.46Å; L469-Y512 HydrophobicContact CD1-CD2 4Å; L469-Y512 HydrophobicContact CD1-CG 3.77Å; L469-Y528 HydrophobicContact CB-CD2 3.97Å; L469-Y528 HydrophobicContact CB-CE2 4Å; L469-Y528 HydrophobicContact CD1-CD2 3.92Å; L469-Y528 HydrophobicContact CD1-CG 4.22Å; L469-Y528 HydrophobicContact CD2-CD1 4.48Å; L469-Y528 HydrophobicContact CD2-CD2 4.31Å; L469-Y528 HydrophobicContact CD2-CG 4.13Å; L469-Y528 HydrophobicContact CG-CD2 4.3Å; L469-V530 HydrophobicContact CD1-CG2 4.17Å; L469-V530 HydrophobicContact CD2-CG2 4.11Å
470P91.9Very high87.8Confident82 Ų8278.3 Ų78.353%0.53240%0.4SS..  trans-71.4146.8-178.329.4-33.6000110.8V468 Y528V468-P470 WeakPolarHBondContact O-CD 3.2Å; P470-Y528 PolarHBondContact O-OH 3.23Å
471C90.9Very high88Confident9 Ų978.7 Ų78.76%0.06140%0.399CS..  trans-147.4101.1166.1-179.30000110.1R480 W482 C514C471-R480 VanDerWaalsContact O-CZ 3.29Å; C471-R480 PolarHBondContact O-NE 2.74Å; C471-R480 PolarHBondContact O-NH2 2.99Å; C471-W482 HydrophobicContact CB-CH2 3.86Å; C471-W482 HydrophobicContact CB-CZ2 3.4Å; C471-W482 VanDerWaalsContact CB-CZ2 3.4Å; C471-C514 HydrophobicContact CB-CB 3.65Å; C471-C514 WeakPolarHBondContact CB-SG 3.36Å; C471-C514 WeakPolarHBondContact SG-CB 3.28Å; C471-C514 CovalentContact SG-SG 2.02Å; C471-C514 PolarHBondContact SG-SG 3.17Å
472K88.9Confident88.2Confident182 Ų18280.4 Ų80.479%0.79141%0.405SS*.  trans-90.7110.4-179.1-175.5168.4-177.3175.10109.9
473L88.9Confident88.4Confident37 Ų3780.4 Ų80.419%0.19440%0.399CS..  trans-60.9151.8166.9-66.5177.1000110.2A478 R480 L525L473-A478 WeakPolarHBondContact CD1-O 3.35Å; L473-A478 HydrophobicContact CD2-CB 4.32Å; L473-R480 HydrophobicContact CD1-CB 4.12Å; L473-R480 HydrophobicContact CD2-CB 3.98Å; L473-R480 HydrophobicContact CD2-CG 4.34Å; L473-R480 HydrophobicContact CG-CB 4.22Å; L473-L525 HydrophobicContact CD2-CD1 3.93Å
474R86.3Confident88.8Confident112 Ų11284.4 Ų84.442%0.42341%0.412SS..SBendtrans-111.5-30.6-177.3-54.9-169.568.7-130.5-5112.8N391 E397N391-R474 PolarHBondContact O-NH1 3.47Å; N391-R474 VanDerWaalsContact O-NH1 3.13Å; N391-R474 PolarHBondContact O-NH2 3.45Å; E397-R474 WeakPolarHBondContact OE1-CD 3.43Å; E397-R474 IonicContact OE1-CZ 2.85Å; E397-R474 IonicContact OE1-NE 3.53Å; E397-R474 IonicContact OE1-NH1 2.69Å; E397-R474 PolarHBondContact OE1-NH1 3.07Å; E397-R474 IonicContact OE2-CZ 3.43Å; E397-R474 IonicContact OE2-NH1 3.06Å; E397-R474 PolarHBondContact OE2-NH1 2.96Å
475S90.5Very high89.1Confident32 Ų3279.7 Ų79.722%0.22439%0.39CS..SBendtrans-91.4143.9162.3174.30000110.2L477 E518S475-L477 VanDerWaalsContact C-N 3.26Å; S475-L477 PolarHBondContact OG-N 3.45Å; S475-E518 WeakPolarHBondContact CB-OE2 3.5Å; S475-E518 VanDerWaalsContact OG-CD 3.25Å; S475-E518 PolarHBondContact OG-OE1 3.39Å; S475-E518 PolarHBondContact OG-OE2 2.66Å; S475-E518 VanDerWaalsContact OG-OE2 3.08Å
476N90.9Very high88.3Confident167 Ų16786.6 Ų86.689%0.89342%0.418SS*.SBendtrans-82.1-4.1170.7-70-23.3000112.7
477L90.7Very high87.3Confident124 Ų12483.2 Ų83.265%0.64942%0.42SS*.SBendtrans-105.3-10.1178.6-54.5177.3000112.8S475 E518S475-L477 VanDerWaalsContact C-N 3.26Å; S475-L477 PolarHBondContact OG-N 3.45Å; L477-E518 WeakPolarHBondContact CB-OE1 3.37Å
478A91.8Very high86Confident12 Ų1279.3 Ų79.310%0.09941%0.405CS..PPolyproline II helixtrans-75.7145.6178.100000113L473 S516 V517 E518L473-A478 WeakPolarHBondContact CD1-O 3.35Å; L473-A478 HydrophobicContact CD2-CB 4.32Å; A478-S516 WeakPolarHBondContact CB-OG 3.45Å; A478-V517 WeakPolarHBondContact CA-O 3.48Å; A478-E518 HydrophobicContact CB-CB 4.05Å
479E92.1Very high84.5Confident141 Ų14177.2 Ų77.266%0.65940%0.395SS*.EExtended strand (participates in β ladder)trans-89.3146.9166.7-167.4-178.1165.700110.4V517E479-V517 HydrophobicContact CB-CB 4.49Å; E479-V517 PolarHBondContact N-O 2.89Å; E479-V517 PolarHBondContact O-N 3.47Å
480R91.9Very high83Confident68 Ų6886.2 Ų86.226%0.25744%0.437SS..EExtended strand (participates in β ladder)trans-101.1119.8175.5-170.5-169.8-69.799.7-16.5110.6C471 L473 E497 G498 C514C471-R480 VanDerWaalsContact O-CZ 3.29Å; C471-R480 PolarHBondContact O-NE 2.74Å; C471-R480 PolarHBondContact O-NH2 2.99Å; L473-R480 HydrophobicContact CD1-CB 4.12Å; L473-R480 HydrophobicContact CD2-CB 3.98Å; L473-R480 HydrophobicContact CD2-CG 4.34Å; L473-R480 HydrophobicContact CG-CB 4.22Å; R480-E497 PolarHBondContact NH2-O 2.93Å; R480-G498 WeakPolarHBondContact CD-O 3.45Å; R480-G498 PolarHBondContact NE-O 2.84Å; R480-G498 VanDerWaalsContact NE-O 3.11Å; R480-C514 WeakPolarHBondContact CG-SG 3.41Å
481K90.9Very high81.7Confident101 Ų10190.5 Ų90.544%0.43945%0.447SS..EExtended strand (participates in β ladder)trans-116.6121.3177.3-175.5175.8-177.7178.80111W515 V517K481-W515 HydrophobicContact CB-CB 4.4Å; K481-W515 PolarHBondContact N-O 2.77Å; K481-W515 WeakPolarHBondContact O-CA 3.28Å; K481-W515 WeakPolarHBondContact O-CB 3.33Å; K481-W515 PolarHBondContact O-N 3.41Å; K481-V517 HydrophobicContact CB-CG2 3.98Å; K481-V517 HydrophobicContact CD-CG2 4.44Å
482W90.2Very high80.8Confident39 Ų3992.7 Ų92.715%0.14846%0.457CS..EExtended strand (participates in β ladder)trans-89.5143.5170.7-71.596000110.9L469 C471 L500 E513 C514 Y528L469-W482 HydrophobicContact CB-CH2 3.79Å; L469-W482 HydrophobicContact CB-CZ3 4.31Å; L469-W482 HydrophobicContact CD1-CZ3 4.41Å; C471-W482 HydrophobicContact CB-CH2 3.86Å; C471-W482 HydrophobicContact CB-CZ2 3.4Å; C471-W482 VanDerWaalsContact CB-CZ2 3.4Å; W482-L500 HydrophobicContact CB-CD2 4.47Å; W482-L500 HydrophobicContact CD2-CB 3.86Å; W482-L500 HydrophobicContact CD2-CD2 3.9Å; W482-L500 HydrophobicContact CD2-CG 4.38Å; W482-L500 HydrophobicContact CE3-CB 4.16Å; W482-L500 HydrophobicContact CE3-CD2 3.81Å; W482-L500 HydrophobicContact CG-CB 4.44Å; W482-L500 HydrophobicContact CG-CD2 4.2Å; W482-L500 HydrophobicContact CH2-CB 3.9Å; W482-L500 HydrophobicContact CZ2-CB 3.58Å; W482-L500 HydrophobicContact CZ3-CB 4.18Å; W482-L500 HydrophobicContact CZ3-CD2 4.3Å; W482-E513 CarbonylContact C-O 3.56Å; W482-E513 WeakPolarHBondContact CA-O 3.17Å; W482-C514 HydrophobicContact CD2-CB 4.03Å; W482-C514 HydrophobicContact CE3-CB 3.77Å; W482-C514 HydrophobicContact CH2-CB 3.76Å; W482-C514 HydrophobicContact CZ2-CB 3.99Å; W482-C514 HydrophobicContact CZ3-CB 3.64Å; W482-Y528 HydrophobicContact CH2-CD2 4.4Å; W482-Y528 HydrophobicContact CH2-CE2 4.11Å; W482-Y528 HydrophobicContact CZ3-CD2 4.18Å; W482-Y528 HydrophobicContact CZ3-CE2 4.31Å
483Q89.1Confident80.4Confident72 Ų7291.2 Ų91.234%0.33645%0.447SS..EExtended strand (participates in β ladder)trans-130.7149171.5-62.2-171.273.600108.9E513Q483-E513 HydrophobicContact CB-CB 4.4Å; Q483-E513 PolarHBondContact N-O 3.28Å; Q483-E513 PolarHBondContact O-N 2.7Å
484F86.8Confident80.1Confident105 Ų10593.3 Ų93.346%0.46146%0.463SS..EExtended strand (participates in β ladder)trans-149.1156.6-174.144-102000112T488 H492 T511 Y512F484-T488 HydrophobicContact CB-CG2 4.12Å; F484-T488 VanDerWaalsContact CD2-OG1 3.29Å; F484-T488 WeakPolarHBondContact CD2-OG1 3.48Å; F484-H492 AromaticContact CD2-CE1 3.93Å; F484-H492 AromaticContact CE2-CE1 3.95Å; F484-T511 VanDerWaalsContact CA-O 3.25Å; F484-T511 WeakPolarHBondContact CA-O 3.35Å; F484-Y512 HydrophobicContact CB-CD1 3.83Å; F484-Y512 HydrophobicContact CB-CE1 3.93Å
485S80.1Confident79.9Confident41 Ų4188.9 Ų88.929%0.28745%0.449SS..  trans-66139.3-177.949.20000113.3G487 T488 T511S485-G487 PolarHBondContact O-N 2.87Å; S485-T488 VanDerWaalsContact O-CG2 3.32Å; S485-T488 WeakPolarHBondContact O-CG2 3.48Å; S485-T488 PolarHBondContact O-N 2.99Å; S485-T488 PolarHBondContact O-OG1 3.42Å; S485-T488 WeakPolarHBondContact OG-CG2 3.36Å; S485-T511 PolarHBondContact N-O 2.86Å; S485-T511 VanDerWaalsContact N-O 3.14Å; S485-T511 PolarHBondContact OG-N 2.85Å
486E67.8Low79.4Confident206 Ų20693.4 Ų93.496%0.96348%0.478SS*.THydrogen-bonded Turntrans-55.8126.9174.8-64.2-172.4166.800111.3
487G63.3Low79Confident60 Ų6093.4 Ų93.462%0.61947%0.473SS*.THydrogen-bonded Turntrans99.43.4-176.900000116.3S485S485-G487 PolarHBondContact O-N 2.87Å
488T61.4Low78.6Confident15 Ų1588 Ų889%0.09245%0.446CS..  trans-60.6145.8169.348.50000113F484 S485 H492 E510 Y512F484-T488 HydrophobicContact CB-CG2 4.12Å; F484-T488 VanDerWaalsContact CD2-OG1 3.29Å; F484-T488 WeakPolarHBondContact CD2-OG1 3.48Å; S485-T488 VanDerWaalsContact O-CG2 3.32Å; S485-T488 WeakPolarHBondContact O-CG2 3.48Å; S485-T488 PolarHBondContact O-N 2.99Å; S485-T488 PolarHBondContact O-OG1 3.42Å; S485-T488 WeakPolarHBondContact OG-CG2 3.36Å; T488-H492 WeakPolarHBondContact CB-CE1 3.16Å; T488-H492 WeakPolarHBondContact CB-NE2 3.48Å; T488-H492 PolarHBondContact OG1-CE1 3.44Å; T488-E510 VanDerWaalsContact CA-OE1 3.27Å; T488-E510 WeakPolarHBondContact CA-OE1 3.49Å; T488-E510 HydrophobicContact CG2-CB 3.83Å; T488-E510 HydrophobicContact CG2-CG 3.86Å; T488-Y512 HydrophobicContact CG2-CE1 4.33Å
489G60Low78.5Confident17 Ų1787.6 Ų87.618%0.17544%0.444CS..  trans-63.5143.3178.200000114.5F491 H492 E510G489-F491 PolarHBondContact O-N 2.8Å; G489-H492 PolarHBondContact O-CE1 2.99Å; G489-H492 PolarHBondContact O-NE2 2.95Å; G489-E510 PolarHBondContact N-OE1 2.71Å
490H58.4Low78.4Confident188 Ų18881.3 Ų81.387%0.8741%0.414SS*.SBendtrans-65.54.5-170-64.7-64.6000117.8
491F64.3Low78.3Confident172 Ų17279.5 Ų79.575%0.75441%0.411SS*.  trans-104.377.3-175.2-69.5-73.5000111.7G489G489-F491 PolarHBondContact O-N 2.8Å
492H72.9Confident78.1Confident55 Ų5574.7 Ų74.726%0.25539%0.39SS..  trans-109.8123173.5-58.8125.2000109.9F484 T488 G489 L500 Y512F484-H492 AromaticContact CD2-CE1 3.93Å; F484-H492 AromaticContact CE2-CE1 3.95Å; T488-H492 WeakPolarHBondContact CB-CE1 3.16Å; T488-H492 WeakPolarHBondContact CB-NE2 3.48Å; T488-H492 PolarHBondContact OG1-CE1 3.44Å; G489-H492 PolarHBondContact O-CE1 2.99Å; G489-H492 PolarHBondContact O-NE2 2.95Å; H492-L500 HydrophobicContact CB-CD1 4.24Å; H492-Y512 AromaticContact CD2-CE1 3.71Å; H492-Y512 AromaticContact NE2-CE1 3Å; H492-Y512 WeakPolarHBondContact NE2-CE1 3.32Å; H492-Y512 AromaticContact NE2-CZ 2.92Å; H492-Y512 PolarHBondContact NE2-OH 2.98Å
493Y80.4Confident77.8Confident151 Ų15175.6 Ų75.659%0.59240%0.4SS*.EExtended strand (participates in β ladder)trans-128.1120.5176.9-177.3-95000110.8S495 V501Y493-S495 PolarHBondContact O-N 2.67Å; Y493-V501 HydrophobicContact CD1-CG2 4.04Å; Y493-V501 PolarHBondContact N-O 3.25Å; Y493-V501 WeakPolarHBondContact O-CB 3.25Å; Y493-V501 WeakPolarHBondContact O-CG2 3.42Å; Y493-V501 PolarHBondContact O-N 3.34Å
494P82.7Confident77.3Confident81 Ų8172.2 Ų72.253%0.52638%0.384SS..EExtended strand (participates in β ladder)trans-73.2122.4172.429.8-31.8000109.9
495S82.3Confident76.7Confident19 Ų1970.6 Ų70.613%0.13338%0.378CS..  trans-59.7149.2169.9168.10000110.5Y493 E497 G498 G499Y493-S495 PolarHBondContact O-N 2.67Å; S495-E497 PolarHBondContact O-N 3.06Å; S495-E497 VanDerWaalsContact O-N 3.13Å; S495-E497 PolarHBondContact OG-N 2.96Å; S495-E497 VanDerWaalsContact OG-N 3.15Å; S495-G498 WeakPolarHBondContact O-CA 3.49Å; S495-G498 PolarHBondContact O-N 2.95Å; S495-G499 WeakPolarHBondContact CB-O 3.25Å; S495-G499 PolarHBondContact N-O 2.82Å
496P79.8Confident76.4Confident128 Ų12871.2 Ų71.283%0.83139%0.385SS*.THydrogen-bonded Turntrans-52.9-27.9168.3-26.935.8000114.1G498P496-G498 VanDerWaalsContact C-N 3.25Å; P496-G498 PolarHBondContact O-N 2.85Å
497E82.4Confident76.6Confident167 Ų16765.2 Ų65.278%0.7838%0.379SS*.THydrogen-bonded Turntrans-80.2-8175.9-58.5165.7163.700112.6R480 S495R480-E497 PolarHBondContact NH2-O 2.93Å; S495-E497 PolarHBondContact O-N 3.06Å; S495-E497 VanDerWaalsContact O-N 3.13Å; S495-E497 PolarHBondContact OG-N 2.96Å; S495-E497 VanDerWaalsContact OG-N 3.15Å
498G82.2Confident77.2Confident9 Ų969 Ų699%0.09337%0.374CS..SBendtrans87.65.8177.300000116.1R480 S495 P496R480-G498 WeakPolarHBondContact CD-O 3.45Å; R480-G498 PolarHBondContact NE-O 2.84Å; R480-G498 VanDerWaalsContact NE-O 3.11Å; S495-G498 WeakPolarHBondContact O-CA 3.49Å; S495-G498 PolarHBondContact O-N 2.95Å; P496-G498 VanDerWaalsContact C-N 3.25Å; P496-G498 PolarHBondContact O-N 2.85Å
499G88.9Confident78.2Confident5 Ų572.9 Ų72.95%0.05239%0.392CS..  trans-69163.5163.100000112.3L469 S495L469-G499 CarbonylContact O-C 3.58Å; L469-G499 WeakPolarHBondContact O-CA 3.44Å; S495-G499 WeakPolarHBondContact CB-O 3.25Å; S495-G499 PolarHBondContact N-O 2.82Å
500L90.4Very high79.5Confident8 Ų872.6 Ų72.64%0.04239%0.386CS..EExtended strand (participates in β ladder)trans-105.7120.2176.2-174.667.8000110.6V468 L469 W482 H492 V502 Y512V468-L500 CarbonylContact C-O 3.51Å; V468-L500 WeakPolarHBondContact CA-O 3.26Å; L469-L500 HydrophobicContact CB-CB 4.38Å; L469-L500 PolarHBondContact N-O 2.97Å; L469-L500 PolarHBondContact O-N 3.4Å; W482-L500 HydrophobicContact CB-CD2 4.47Å; W482-L500 HydrophobicContact CD2-CB 3.86Å; W482-L500 HydrophobicContact CD2-CD2 3.9Å; W482-L500 HydrophobicContact CD2-CG 4.38Å; W482-L500 HydrophobicContact CE3-CB 4.16Å; W482-L500 HydrophobicContact CE3-CD2 3.81Å; W482-L500 HydrophobicContact CG-CB 4.44Å; W482-L500 HydrophobicContact CG-CD2 4.2Å; W482-L500 HydrophobicContact CH2-CB 3.9Å; W482-L500 HydrophobicContact CZ2-CB 3.58Å; W482-L500 HydrophobicContact CZ3-CB 4.18Å; W482-L500 HydrophobicContact CZ3-CD2 4.3Å; H492-L500 HydrophobicContact CB-CD1 4.24Å; L500-V502 HydrophobicContact CD2-CG1 3.85Å; L500-V502 HydrophobicContact CG-CG1 3.9Å; L500-Y512 HydrophobicContact CD2-CD1 3.59Å; L500-Y512 HydrophobicContact CD2-CE1 4.02Å; L500-Y512 HydrophobicContact CD2-CG 4.45Å
501V89.6Confident80.9Confident31 Ų3165.7 Ų65.719%0.18836%0.357CS..EExtended strand (participates in β ladder)trans-74.1124.5168.3-173.20000108.5F466 K467 V468 Y493F466-V501 HydrophobicContact CB-CG1 4.04Å; F466-V501 HydrophobicContact CD2-CG1 4.03Å; F466-V501 HydrophobicContact CG-CG1 4.35Å; K467-V501 WeakPolarHBondContact O-CA 3.22Å; V468-V501 HydrophobicContact CG2-CG2 4.34Å; Y493-V501 HydrophobicContact CD1-CG2 4.04Å; Y493-V501 PolarHBondContact N-O 3.25Å; Y493-V501 WeakPolarHBondContact O-CB 3.25Å; Y493-V501 WeakPolarHBondContact O-CG2 3.42Å; Y493-V501 PolarHBondContact O-N 3.34Å
502V87.9Confident82.1Confident0 Ų057.6 Ų57.60%032%0.321CS..EExtended strand (participates in β ladder)trans-126.8148.4176-59.20000110.3I461 F466 K467 L469 L500 Y512 V530I461-V502 HydrophobicContact CD1-CG2 3.99Å; F466-V502 CarbonylContact C-O 3.55Å; F466-V502 VanDerWaalsContact CA-O 3.24Å; F466-V502 WeakPolarHBondContact CA-O 3.38Å; K467-V502 PolarHBondContact N-O 3.42Å; K467-V502 PolarHBondContact O-N 3.1Å; L469-V502 HydrophobicContact CD1-CG1 3.69Å; L469-V502 HydrophobicContact CD1-CG2 3.99Å; L469-V502 HydrophobicContact CD2-CG2 4.1Å; L469-V502 HydrophobicContact CG-CG1 4.12Å; L469-V502 HydrophobicContact CG-CG2 3.82Å; L500-V502 HydrophobicContact CD2-CG1 3.85Å; L500-V502 HydrophobicContact CG-CG1 3.9Å; V502-Y512 HydrophobicContact CB-CE2 4.27Å; V502-Y512 HydrophobicContact CG1-CD1 4Å; V502-Y512 HydrophobicContact CG1-CD2 4.23Å; V502-Y512 HydrophobicContact CG1-CE1 3.71Å; V502-Y512 HydrophobicContact CG1-CE2 3.93Å; V502-Y512 HydrophobicContact CG1-CG 4.25Å; V502-V530 HydrophobicContact CG2-CG1 4.37Å; V502-V530 HydrophobicContact CG2-CG2 4.23Å
503V83.6Confident82.9Confident57 Ų5757.4 Ų57.435%0.34532%0.321SS..EExtended strand (participates in β ladder)trans-120.3117.7177.9-177.40000108.7F466F466-V503 HydrophobicContact CB-CG2 4.01Å
504A78.2Confident83.5Confident1 Ų150.2 Ų50.21%0.00829%0.293CS..PPolyproline II helixtrans-83.5130-171.500000113.2I461 N464 T465 V530I461-A504 HydrophobicContact CB-CB 3.69Å; I461-A504 HydrophobicContact CD1-CB 4.17Å; I461-A504 HydrophobicContact CG1-CB 4.32Å; I461-A504 HydrophobicContact CG2-CB 4.2Å; N464-A504 PolarHBondContact N-O 2.89Å; T465-A504 PolarHBondContact O-N 3.08Å; A504-V530 HydrophobicContact CB-CG1 3.88Å
505Q74.5Confident83.9Confident72 Ų7248.8 Ų48.834%0.33628%0.277SS..PPolyproline II helixtrans-87136.4173-60.9-173.40.800111.1G507 R508 G532Q505-G507 PolarHBondContact O-N 3.26Å; Q505-R508 HydrophobicContact CB-CB 4.48Å; Q505-G532 WeakPolarHBondContact O-CA 3.43Å; Q505-G532 PolarHBondContact O-N 3.42Å
506A73.5Confident84.4Confident53 Ų5348.7 Ų48.744%0.43828%0.276SS..BIsolated β-bridgetrans-60.5136.1176.300000111.5A463 R508 A534A463-A506 HydrophobicContact CB-CB 3.88Å; A506-R508 PolarHBondContact O-N 2.75Å; A506-A534 HydrophobicContact CB-CB 4.21Å
507G71Confident84.9Confident80 Ų8044.1 Ų44.183%0.82525%0.246SC*.THydrogen-bonded Turntrans731.1174.200000115.9Q505Q505-G507 PolarHBondContact O-N 3.26Å
508R77.1Confident85.3Confident139 Ų13937.8 Ų37.853%0.52522%0.216SC..  trans-108.5153.9169.7-68.5-175.2177-167.8-2.4110.9Q505 A506Q505-R508 HydrophobicContact CB-CB 4.48Å; A506-R508 PolarHBondContact O-N 2.75Å
509Q82.4Confident85.5Confident97 Ų9743.6 Ų43.645%0.45324%0.241SC..EExtended strand (participates in β ladder)trans-120.2124.3166.6-177.5174.8-48.600108.2C529 V530Q509-C529 HydrophobicContact CG-CB 4.36Å; Q509-C529 PolarHBondContact NE2-SG 2.8Å; Q509-C529 VanDerWaalsContact NE2-SG 3.39Å; Q509-V530 CarbonylContact C-O 3.55Å; Q509-V530 VanDerWaalsContact CA-O 3.28Å; Q509-V530 WeakPolarHBondContact CA-O 3.26Å
510E86.1Confident85.2Confident11 Ų1146.7 Ų46.75%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-112.5136.8-178-64.6-176.6151.100109.2T488 G489 Y512 V530T488-E510 VanDerWaalsContact CA-OE1 3.27Å; T488-E510 WeakPolarHBondContact CA-OE1 3.49Å; T488-E510 HydrophobicContact CG2-CB 3.83Å; T488-E510 HydrophobicContact CG2-CG 3.86Å; G489-E510 PolarHBondContact N-OE1 2.71Å; E510-Y512 HydrophobicContact CB-CD2 4.25Å; E510-Y512 HydrophobicContact CB-CE2 3.52Å; E510-Y512 WeakPolarHBondContact OE2-CE2 3.14Å; E510-Y512 PolarHBondContact OE2-OH 2.66Å; E510-V530 PolarHBondContact N-O 3.16Å; E510-V530 PolarHBondContact O-N 3.48Å
511T88.2Confident85Confident44 Ų4448.5 Ų48.527%0.2728%0.28SS..EExtended strand (participates in β ladder)trans-101.7131178.3-56.10000109.8F484 S485 E513 N527 Y528F484-T511 VanDerWaalsContact CA-O 3.25Å; F484-T511 WeakPolarHBondContact CA-O 3.35Å; S485-T511 PolarHBondContact N-O 2.86Å; S485-T511 VanDerWaalsContact N-O 3.14Å; S485-T511 PolarHBondContact OG-N 2.85Å; T511-E513 HydrophobicContact CG2-CG 4.48Å; T511-N527 WeakPolarHBondContact CG2-OD1 3.48Å; T511-Y528 CarbonylContact C-O 3.59Å; T511-Y528 WeakPolarHBondContact CA-O 3.46Å
512Y89.3Confident84.9Confident1 Ų151.5 Ų51.50%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-128115.6-180-68.5-82.8000110.6L469 F484 T488 H492 L500 V502 E510 Y528 V530L469-Y512 HydrophobicContact CD1-CD1 4.46Å; L469-Y512 HydrophobicContact CD1-CD2 4Å; L469-Y512 HydrophobicContact CD1-CG 3.77Å; F484-Y512 HydrophobicContact CB-CD1 3.83Å; F484-Y512 HydrophobicContact CB-CE1 3.93Å; T488-Y512 HydrophobicContact CG2-CE1 4.33Å; H492-Y512 AromaticContact CD2-CE1 3.71Å; H492-Y512 AromaticContact NE2-CE1 3Å; H492-Y512 WeakPolarHBondContact NE2-CE1 3.32Å; H492-Y512 AromaticContact NE2-CZ 2.92Å; H492-Y512 PolarHBondContact NE2-OH 2.98Å; L500-Y512 HydrophobicContact CD2-CD1 3.59Å; L500-Y512 HydrophobicContact CD2-CE1 4.02Å; L500-Y512 HydrophobicContact CD2-CG 4.45Å; V502-Y512 HydrophobicContact CB-CE2 4.27Å; V502-Y512 HydrophobicContact CG1-CD1 4Å; V502-Y512 HydrophobicContact CG1-CD2 4.23Å; V502-Y512 HydrophobicContact CG1-CE1 3.71Å; V502-Y512 HydrophobicContact CG1-CE2 3.93Å; V502-Y512 HydrophobicContact CG1-CG 4.25Å; E510-Y512 HydrophobicContact CB-CD2 4.25Å; E510-Y512 HydrophobicContact CB-CE2 3.52Å; E510-Y512 WeakPolarHBondContact OE2-CE2 3.14Å; E510-Y512 PolarHBondContact OE2-OH 2.66Å; Y512-Y528 PolarHBondContact N-O 3.09Å; Y512-Y528 PolarHBondContact O-N 3.09Å; Y512-V530 HydrophobicContact CD2-CB 4.1Å; Y512-V530 HydrophobicContact CD2-CG2 3.68Å; Y512-V530 HydrophobicContact CE2-CB 4.08Å; Y512-V530 HydrophobicContact CE2-CG2 4.05Å
513E91.4Very high84.9Confident52 Ų5254.2 Ų54.224%0.24331%0.306CS..EExtended strand (participates in β ladder)trans-109.5132.1179.5-67.3-171.9159.700111.1W482 Q483 T511 W515 L524 A526W482-E513 CarbonylContact C-O 3.56Å; W482-E513 WeakPolarHBondContact CA-O 3.17Å; Q483-E513 HydrophobicContact CB-CB 4.4Å; Q483-E513 PolarHBondContact N-O 3.28Å; Q483-E513 PolarHBondContact O-N 2.7Å; T511-E513 HydrophobicContact CG2-CG 4.48Å; E513-W515 WeakPolarHBondContact OE2-CZ2 3.39Å; E513-W515 PolarHBondContact OE2-NE1 3.28Å; E513-L524 HydrophobicContact CB-CD1 3.71Å; E513-L524 HydrophobicContact CG-CD1 3.98Å; E513-A526 WeakPolarHBondContact CA-O 3.43Å
514C92.2Very high85.1Confident0 Ų053.7 Ų53.70%030%0.301CS..EExtended strand (participates in β ladder)trans-105122.4170.1-167.80000111.1C471 R480 W482 L525 A526C471-C514 HydrophobicContact CB-CB 3.65Å; C471-C514 WeakPolarHBondContact CB-SG 3.36Å; C471-C514 WeakPolarHBondContact SG-CB 3.28Å; C471-C514 CovalentContact SG-SG 2.02Å; C471-C514 PolarHBondContact SG-SG 3.17Å; R480-C514 WeakPolarHBondContact CG-SG 3.41Å; W482-C514 HydrophobicContact CD2-CB 4.03Å; W482-C514 HydrophobicContact CE3-CB 3.77Å; W482-C514 HydrophobicContact CH2-CB 3.76Å; W482-C514 HydrophobicContact CZ2-CB 3.99Å; W482-C514 HydrophobicContact CZ3-CB 3.64Å; C514-L525 PolarHBondContact O-N 3.32Å; C514-A526 HydrophobicContact CB-CB 4.28Å; C514-A526 PolarHBondContact N-O 3.42Å; C514-A526 PolarHBondContact O-N 3.25Å
515W91.2Very high85.7Confident51 Ų5156.1 Ų56.119%0.19331%0.314CS..EExtended strand (participates in β ladder)trans-110.3135.2179.6-65.579.9000111K481 E513 M522 E523 L524K481-W515 HydrophobicContact CB-CB 4.4Å; K481-W515 PolarHBondContact N-O 2.77Å; K481-W515 WeakPolarHBondContact O-CA 3.28Å; K481-W515 WeakPolarHBondContact O-CB 3.33Å; K481-W515 PolarHBondContact O-N 3.41Å; E513-W515 WeakPolarHBondContact OE2-CZ2 3.39Å; E513-W515 PolarHBondContact OE2-NE1 3.28Å; W515-M522 HydrophobicContact CE3-CB 4.05Å; W515-M522 HydrophobicContact CZ3-CB 4.43Å; W515-E523 CarbonylContact C-O 3.6Å; W515-E523 VanDerWaalsContact CA-O 3.27Å; W515-E523 WeakPolarHBondContact CA-O 3.27Å; W515-L524 HydrophobicContact CD2-CB 4.22Å; W515-L524 HydrophobicContact CD2-CD1 4.27Å; W515-L524 HydrophobicContact CE3-CB 4.05Å; W515-L524 HydrophobicContact CH2-CB 3.89Å; W515-L524 HydrophobicContact CZ2-CB 4.05Å; W515-L524 HydrophobicContact CZ2-CD1 4.12Å; W515-L524 HydrophobicContact CZ2-CD2 4.23Å; W515-L524 HydrophobicContact CZ2-CG 4.37Å; W515-L524 HydrophobicContact CZ3-CB 3.89Å
516S91.7Very high86.4Confident16 Ų1653.3 Ų53.311%0.11230%0.303CS..EExtended strand (participates in β ladder)trans-85.7136.9163.3-157.40000108.8A478 M522 E523A478-S516 WeakPolarHBondContact CB-OG 3.45Å; S516-M522 VanDerWaalsContact O-CA 3.32Å; S516-M522 WeakPolarHBondContact O-CA 3.36Å; S516-E523 PolarHBondContact N-O 3.22Å; S516-E523 PolarHBondContact O-N 2.8Å
517V91.1Very high87.3Confident33 Ų3351.8 Ų51.820%0.229%0.288CS..EExtended strand (participates in β ladder)trans-128.9120.6177.2-171.60000109.8A478 E479 K481 F521 M522A478-V517 WeakPolarHBondContact CA-O 3.48Å; E479-V517 HydrophobicContact CB-CB 4.49Å; E479-V517 PolarHBondContact N-O 2.89Å; E479-V517 PolarHBondContact O-N 3.47Å; K481-V517 HydrophobicContact CB-CG2 3.98Å; K481-V517 HydrophobicContact CD-CG2 4.44Å; V517-F521 WeakPolarHBondContact CA-O 3.42Å; V517-M522 HydrophobicContact CG1-CG 4.22Å; V517-M522 HydrophobicContact CG2-CG 4.09Å; V517-M522 HydrophobicContact CG2-SD 4.33Å
518E91.8Very high88.3Confident34 Ų3448.9 Ų48.916%0.15925%0.252CS..EExtended strand (participates in β ladder)trans-150.1127.3-177.2-173.2167.3-168.200110.4L400 S475 L477 A478 G520 F521L400-E518 HydrophobicContact CD1-CB 4.06Å; L400-E518 HydrophobicContact CD1-CG 4.2Å; S475-E518 WeakPolarHBondContact CB-OE2 3.5Å; S475-E518 VanDerWaalsContact OG-CD 3.25Å; S475-E518 PolarHBondContact OG-OE1 3.39Å; S475-E518 PolarHBondContact OG-OE2 2.66Å; S475-E518 VanDerWaalsContact OG-OE2 3.08Å; L477-E518 WeakPolarHBondContact CB-OE1 3.37Å; A478-E518 HydrophobicContact CB-CB 4.05Å; E518-G520 PolarHBondContact O-N 3.27Å; E518-F521 PolarHBondContact N-O 2.87Å; E518-F521 VanDerWaalsContact N-O 3.1Å; E518-F521 WeakPolarHBondContact O-CB 3.3Å; E518-F521 PolarHBondContact O-N 3.2Å
519E85.5Confident88.9Confident130 Ų13043 Ų4361%0.60723%0.232SC*.THydrogen-bonded Turntrans44.731.3-174-56.4-164.7139.300114.8L400 R402L400-E519 HydrophobicContact CD2-CB 3.94Å; L400-E519 HydrophobicContact CD2-CG 4.32Å; R402-E519 IonicContact CZ-OE2 2.67Å; R402-E519 IonicContact NE-OE2 2.71Å; R402-E519 PolarHBondContact NE-OE2 3.41Å; R402-E519 IonicContact NH2-OE1 3.86Å; R402-E519 PolarHBondContact NH2-OE1 3.44Å; R402-E519 IonicContact NH2-OE2 2.8Å; R402-E519 PolarHBondContact NH2-OE2 3.47Å
520G81.8Confident89.2Confident71 Ų7138.4 Ų38.473%0.73221%0.211SC*.THydrogen-bonded Turntrans86.3-5.6-179.100000115.5E518E518-G520 PolarHBondContact O-N 3.27Å
521F87.5Confident89.2Confident45 Ų4544.2 Ų44.220%0.19723%0.232CC..EExtended strand (participates in β ladder)trans-74.3146.6166.6-171.7-109.4000110.4L400 T434 C438 V517 E518 E523L400-F521 HydrophobicContact CD1-CB 4.01Å; L400-F521 HydrophobicContact CD1-CD1 4.06Å; L400-F521 HydrophobicContact CD1-CG 4.32Å; T434-F521 HydrophobicContact CG2-CB 4.2Å; T434-F521 HydrophobicContact CG2-CD2 4.04Å; T434-F521 HydrophobicContact CG2-CG 4.14Å; C438-F521 HydrophobicContact CB-CE2 4.42Å; V517-F521 WeakPolarHBondContact CA-O 3.42Å; E518-F521 PolarHBondContact N-O 2.87Å; E518-F521 VanDerWaalsContact N-O 3.1Å; E518-F521 WeakPolarHBondContact O-CB 3.3Å; E518-F521 PolarHBondContact O-N 3.2Å; F521-E523 HydrophobicContact CD1-CB 4.43Å; F521-E523 HydrophobicContact CE1-CB 3.8Å
522M87.4Confident89Confident95 Ų9542.4 Ų42.447%0.46822%0.222SC..EExtended strand (participates in β ladder)trans-130.9129.6175.4-61.8-163-58.700111.3W515 S516 V517W515-M522 HydrophobicContact CE3-CB 4.05Å; W515-M522 HydrophobicContact CZ3-CB 4.43Å; S516-M522 VanDerWaalsContact O-CA 3.32Å; S516-M522 WeakPolarHBondContact O-CA 3.36Å; V517-M522 HydrophobicContact CG1-CG 4.22Å; V517-M522 HydrophobicContact CG2-CG 4.09Å; V517-M522 HydrophobicContact CG2-SD 4.33Å
523E87.1Confident88.6Confident56 Ų5647.8 Ų47.826%0.26225%0.247SC..EExtended strand (participates in β ladder)trans-131.7133-179.8180148.7-153.600112.7S394 W515 S516 F521 L525S394-E523 VanDerWaalsContact CB-CD 3.45Å; S394-E523 WeakPolarHBondContact CB-OE1 3.5Å; S394-E523 WeakPolarHBondContact CB-OE2 3.36Å; S394-E523 PolarHBondContact OG-OE1 3.4Å; S394-E523 PolarHBondContact OG-OE2 3.13Å; W515-E523 CarbonylContact C-O 3.6Å; W515-E523 VanDerWaalsContact CA-O 3.27Å; W515-E523 WeakPolarHBondContact CA-O 3.27Å; S516-E523 PolarHBondContact N-O 3.22Å; S516-E523 PolarHBondContact O-N 2.8Å; F521-E523 HydrophobicContact CD1-CB 4.43Å; F521-E523 HydrophobicContact CE1-CB 3.8Å; E523-L525 PolarHBondContact O-N 2.72Å
524L89Confident87.6Confident46 Ų4648.6 Ų48.624%0.24126%0.263CS..EExtended strand (participates in β ladder)trans-81.299.5-179.8179.457.3000110S454 E513 W515 A526 N527S454-L524 WeakPolarHBondContact OG-CD2 3.21Å; E513-L524 HydrophobicContact CB-CD1 3.71Å; E513-L524 HydrophobicContact CG-CD1 3.98Å; W515-L524 HydrophobicContact CD2-CB 4.22Å; W515-L524 HydrophobicContact CD2-CD1 4.27Å; W515-L524 HydrophobicContact CE3-CB 4.05Å; W515-L524 HydrophobicContact CH2-CB 3.89Å; W515-L524 HydrophobicContact CZ2-CB 4.05Å; W515-L524 HydrophobicContact CZ2-CD1 4.12Å; W515-L524 HydrophobicContact CZ2-CD2 4.23Å; W515-L524 HydrophobicContact CZ2-CG 4.37Å; W515-L524 HydrophobicContact CZ3-CB 3.89Å; L524-A526 VanDerWaalsContact CD1-O 3.22Å; L524-A526 WeakPolarHBondContact CD1-O 3.48Å; L524-N527 HydrophobicContact CD2-CB 4.5Å
525L88.9Confident86.1Confident52 Ų5258.5 Ų58.527%0.27230%0.3SS..EExtended strand (participates in β ladder)trans-76.4-35.7-179-63.2-177.9000112.7L473 C514 E523L473-L525 HydrophobicContact CD2-CD1 3.93Å; C514-L525 PolarHBondContact O-N 3.32Å; E523-L525 PolarHBondContact O-N 2.72Å
526A90Very high84.3Confident13 Ų1364.7 Ų64.711%0.10733%0.331CS..EExtended strand (participates in β ladder)trans-152.6147.2-177.400000111.7E513 C514 L524 Y528E513-A526 WeakPolarHBondContact CA-O 3.43Å; C514-A526 HydrophobicContact CB-CB 4.28Å; C514-A526 PolarHBondContact N-O 3.42Å; C514-A526 PolarHBondContact O-N 3.25Å; L524-A526 VanDerWaalsContact CD1-O 3.22Å; L524-A526 WeakPolarHBondContact CD1-O 3.48Å; A526-Y528 HydrophobicContact CB-CD2 4.32Å; A526-Y528 HydrophobicContact CB-CE2 3.49Å; A526-Y528 VanDerWaalsContact CB-CE2 3.49Å
527N92.4Very high82.1Confident22 Ų2271 Ų7112%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-138.3120177.8-178.69.1000108.7S454 C456 Q457 T511 L524S454-N527 PolarHBondContact O-ND2 2.78Å; C456-N527 PolarHBondContact SG-OD1 3.2Å; C456-N527 VanDerWaalsContact SG-OD1 3.32Å; Q457-N527 WeakPolarHBondContact CB-O 3.42Å; Q457-N527 PolarHBondContact N-O 2.82Å; T511-N527 WeakPolarHBondContact CG2-OD1 3.48Å; L524-N527 HydrophobicContact CD2-CB 4.5Å
528Y91.2Very high79.6Confident18 Ų1873.7 Ų73.77%0.07138%0.38CS..EExtended strand (participates in β ladder)trans-121.8132.4-172.6-61.1-69.5000111.5Q457 I459 L469 P470 W482 T511 Y512 A526Q457-Y528 HydrophobicContact CB-CD1 3.92Å; Q457-Y528 HydrophobicContact CB-CE1 4.3Å; Q457-Y528 HydrophobicContact CG-CD1 4.25Å; Q457-Y528 HydrophobicContact CG-CE1 4.42Å; Q457-Y528 WeakPolarHBondContact O-CA 3.27Å; I459-Y528 HydrophobicContact CD1-CD1 3.33Å; I459-Y528 HydrophobicContact CD1-CE1 3.79Å; I459-Y528 HydrophobicContact CD1-CG 4.12Å; I459-Y528 HydrophobicContact CG1-CD1 4.23Å; L469-Y528 HydrophobicContact CB-CD2 3.97Å; L469-Y528 HydrophobicContact CB-CE2 4Å; L469-Y528 HydrophobicContact CD1-CD2 3.92Å; L469-Y528 HydrophobicContact CD1-CG 4.22Å; L469-Y528 HydrophobicContact CD2-CD1 4.48Å; L469-Y528 HydrophobicContact CD2-CD2 4.31Å; L469-Y528 HydrophobicContact CD2-CG 4.13Å; L469-Y528 HydrophobicContact CG-CD2 4.3Å; P470-Y528 PolarHBondContact O-OH 3.23Å; W482-Y528 HydrophobicContact CH2-CD2 4.4Å; W482-Y528 HydrophobicContact CH2-CE2 4.11Å; W482-Y528 HydrophobicContact CZ3-CD2 4.18Å; W482-Y528 HydrophobicContact CZ3-CE2 4.31Å; T511-Y528 CarbonylContact C-O 3.59Å; T511-Y528 WeakPolarHBondContact CA-O 3.46Å; Y512-Y528 PolarHBondContact N-O 3.09Å; Y512-Y528 PolarHBondContact O-N 3.09Å; A526-Y528 HydrophobicContact CB-CD2 4.32Å; A526-Y528 HydrophobicContact CB-CE2 3.49Å; A526-Y528 VanDerWaalsContact CB-CE2 3.49Å
529C90.1Very high77.2Confident15 Ų1578.5 Ų78.510%0.10141%0.411CS..EExtended strand (participates in β ladder)trans-107.995.1173.8-86.10000108.5C456 Q457 A458 I459 Q509C456-C529 HydrophobicContact CB-CB 3.98Å; C456-C529 WeakPolarHBondContact CB-SG 3.46Å; C456-C529 WeakPolarHBondContact SG-CA 3.35Å; C456-C529 WeakPolarHBondContact SG-CB 3.37Å; C456-C529 PolarHBondContact SG-N 3.28Å; C456-C529 CovalentContact SG-SG 2.03Å; C456-C529 PolarHBondContact SG-SG 3.11Å; Q457-C529 PolarHBondContact O-N 3.18Å; A458-C529 WeakPolarHBondContact CA-O 3.13Å; I459-C529 PolarHBondContact N-O 3.31Å; Q509-C529 HydrophobicContact CG-CB 4.36Å; Q509-C529 PolarHBondContact NE2-SG 2.8Å; Q509-C529 VanDerWaalsContact NE2-SG 3.39Å
530V88.3Confident74.8Confident2 Ų277.9 Ų77.91%0.01242%0.416CS..EExtended strand (participates in β ladder)trans-86.3133.2-175.1176.80000109.8I459 I461 L469 V502 A504 Q509 E510 Y512I459-V530 HydrophobicContact CB-CG2 4.39Å; I459-V530 CarbonylContact O-C 3.6Å; I459-V530 VanDerWaalsContact O-CA 3.32Å; I459-V530 WeakPolarHBondContact O-CA 3.23Å; I461-V530 HydrophobicContact CD1-CG1 3.66Å; I461-V530 HydrophobicContact CG1-CG1 4.29Å; L469-V530 HydrophobicContact CD1-CG2 4.17Å; L469-V530 HydrophobicContact CD2-CG2 4.11Å; V502-V530 HydrophobicContact CG2-CG1 4.37Å; V502-V530 HydrophobicContact CG2-CG2 4.23Å; A504-V530 HydrophobicContact CB-CG1 3.88Å; Q509-V530 CarbonylContact C-O 3.55Å; Q509-V530 VanDerWaalsContact CA-O 3.28Å; Q509-V530 WeakPolarHBondContact CA-O 3.26Å; E510-V530 PolarHBondContact N-O 3.16Å; E510-V530 PolarHBondContact O-N 3.48Å; Y512-V530 HydrophobicContact CD2-CB 4.1Å; Y512-V530 HydrophobicContact CD2-CG2 3.68Å; Y512-V530 HydrophobicContact CE2-CB 4.08Å; Y512-V530 HydrophobicContact CE2-CG2 4.05Å
531R87.5Confident73.1Confident133 Ų13382.8 Ų82.850%0.50243%0.425SS..EExtended strand (participates in β ladder)trans-135.5134.1176.8-174-175.3-66.7-171.6-0.6111I459 I461I459-R531 PolarHBondContact O-N 3.35Å; I461-R531 PolarHBondContact N-O 3.01Å; I461-R531 VanDerWaalsContact N-O 3.08Å
532G83Confident70.6Confident6 Ų687.3 Ų87.36%0.06246%0.457CS..EExtended strand (participates in β ladder)trans-83.3120.4173.200000112I461 Q505I461-G532 WeakPolarHBondContact O-CA 3.4Å; Q505-G532 WeakPolarHBondContact O-CA 3.43Å; Q505-G532 PolarHBondContact O-N 3.42Å
533E81.9Confident68.1Low113 Ų11386.4 Ų86.453%0.52847%0.472SS..EExtended strand (participates in β ladder)trans-83.4122.2166.7-96179.4-174.600110.5I460 I461 A463 R535I460-E533 HydrophobicContact CG2-CB 4.08Å; I460-E533 HydrophobicContact CG2-CG 3.65Å; I461-E533 PolarHBondContact O-N 3.02Å; A463-E533 VanDerWaalsContact CB-O 3.27Å; A463-E533 WeakPolarHBondContact CB-O 3.24Å; A463-E533 PolarHBondContact N-O 3.34Å; E533-R535 PolarHBondContact O-N 3.35Å
534A70.5Confident65.5Low70 Ų7095.9 Ų95.958%0.57951%0.505SS*.PPolyproline II helixtrans-67.5128.317400000110A506 Q536A506-A534 HydrophobicContact CB-CB 4.21Å; A534-Q536 PolarHBondContact O-N 3.21Å; A534-Q536 VanDerWaalsContact O-N 3.07Å
535R60.1Low63.1Low208 Ų20899.3 Ų99.379%0.78553%0.533SS*.  trans-58.9113.6169-98.7-173.4173-176.10.2109.2E533 E537E533-R535 PolarHBondContact O-N 3.35Å; R535-E537 PolarHBondContact O-N 2.82Å; R535-E537 VanDerWaalsContact O-N 3.13Å
536Q52.5Low60.4Low181 Ų181108.3 Ų108.385%0.84656%0.563SS**  trans-75.194.4161.3-75.6-171.3-25.100108.5A534 S538A534-Q536 PolarHBondContact O-N 3.21Å; A534-Q536 VanDerWaalsContact O-N 3.07Å; Q536-S538 PolarHBondContact O-N 3.46Å
537E45.7Very low57.9Low148 Ų148112.2 Ų112.269%0.69260%0.595SS**  trans-73.285.4162.8-68.9-170.8167.800108.7R535 T539R535-E537 PolarHBondContact O-N 2.82Å; R535-E537 VanDerWaalsContact O-N 3.13Å; E537-T539 VanDerWaalsContact C-N 3.34Å; E537-T539 PolarHBondContact O-N 3.35Å
538S40Very low55Low90 Ų90116.5 Ų116.563%0.62962%0.624SS**  trans-65.592.9170.7-67.20000109.9Q536 T540Q536-S538 PolarHBondContact O-N 3.46Å; S538-T540 PolarHBondContact O-N 2.8Å
539T41.3Very low52.3Low134 Ų134121.7 Ų121.782%0.82266%0.66SS**  trans-73.555.2178.340.60000112.9E537 L541E537-T539 VanDerWaalsContact C-N 3.34Å; E537-T539 PolarHBondContact O-N 3.35Å; T539-L541 PolarHBondContact O-N 3.47Å
540T35.6Very low49.6Very low117 Ų117128.7 Ų128.772%0.71870%0.695SS**  trans-87.491.9170.345.30000110.8S538 T542S538-T540 PolarHBondContact O-N 2.8Å; T540-T542 PolarHBondContact O-N 3.26Å
541L44Very low46.8Very low174 Ų174134.1 Ų134.191%0.91173%0.734SS**  trans-68.792.6169.2-99.1165.9000110.9T539T539-L541 PolarHBondContact O-N 3.47Å
542T35.7Very low44.2Very low141 Ų141136.3 Ų136.387%0.86575%0.75SS**  trans-165.41181570.60000109.8T540T540-T542 PolarHBondContact O-N 3.26Å
543G34.3Very low41.6Very low76 Ų76143.7 Ų143.778%0.78478%0.782SS**  trans-109.2147.3-172.300000114.3
544R33.6Very low39.1Very low255 Ų255146.9 Ų146.996%0.96280%0.797SS**  trans-157.1143.8141.5-119.5173.7179.5172.1-0.3111.4
545S38.3Very low37.1Very low117 Ų117148.4 Ų148.482%0.81880%0.799SS**  trans-73.4135.4-176.8179.10000112.6
546R32.7Very low35.7Very low242 Ų242145.6 Ų145.691%0.91380%0.798SS**  trans-160.1119.3150.8-109.4175.2-176.2-177.30.3108.9
547A36.9Very low34.5Very low94 Ų94145.3 Ų145.378%0.77780%0.795SS**PPolyproline II helixtrans-96132.3179.700000111.7
548P32.8Very low33.8Very low112 Ų112145 Ų14573%0.72780%0.797SS**PPolyproline II helixtrans-80.2166.6151.1-6.626.2000110.6
549P33.4Very low33.3Very low128 Ų128146.5 Ų146.583%0.83181%0.805SS**PPolyproline II helixtrans-75.3148.5-17430.5-35.5000113.9S551P549-S551 PolarHBondContact O-N 2.79Å
550L32.6Very low32.9Very low161 Ų161142.9 Ų142.984%0.84379%0.794SS**PPolyproline II helixtrans-68.7116.6170.9-81.9156.6000111.2Q552L550-Q552 PolarHBondContact O-N 3.13Å
551S31Very low32.8Very low117 Ų117146.6 Ų146.682%0.81880%0.804SS**  trans-94.873.2162.261.50000110.2P549P549-S551 PolarHBondContact O-N 2.79Å
552Q32.8Very low32.1Very low178 Ų178144.2 Ų144.283%0.83280%0.796SS**  trans35.186158.5-166.2164.6-10.200116.4L550 E554L550-Q552 PolarHBondContact O-N 3.13Å; Q552-E554 PolarHBondContact O-N 3.25Å
553E28.2Very low31.8Very low161 Ų161144.7 Ų144.775%0.75279%0.793SS**  trans-62.2127.2163.7-66.3178.2120.500110V555E553-V555 PolarHBondContact O-N 2.9Å
554E29.7Very low31.4Very low180 Ų180145.6 Ų145.684%0.84179%0.787SS**  trans-70.296.9161.1-76.6-167.7132.900108.5Q552 I556Q552-E554 PolarHBondContact O-N 3.25Å; E554-I556 VanDerWaalsContact C-N 3.31Å; E554-I556 PolarHBondContact O-N 2.65Å
555V27Very low31.1Very low102 Ų102138.9 Ų138.962%0.61878%0.776SS**  trans-65.295.1168.6179.20000107.9E553 F557E553-V555 PolarHBondContact O-N 2.9Å; V555-F557 HydrophobicContact CG1-CD2 4.5Å; V555-F557 HydrophobicContact CG1-CE2 4.45Å; V555-F557 VanDerWaalsContact O-CD2 3.32Å; V555-F557 WeakPolarHBondContact O-CD2 3.44Å; V555-F557 PolarHBondContact O-N 3.14Å
556I30.9Very low30.6Very low149 Ų149140.2 Ų140.276%0.76477%0.77SS**  trans-65.3100.6166.9-62.2175.1000106.9E554 L558E554-I556 VanDerWaalsContact C-N 3.31Å; E554-I556 PolarHBondContact O-N 2.65Å; I556-L558 PolarHBondContact O-N 2.84Å; I556-L558 VanDerWaalsContact O-N 3.12Å
557F27.6Very low30.7Very low175 Ų175135.5 Ų135.577%0.76876%0.761SS**  trans-58.8115168.5-73.6-97.5000108.6V555 P559V555-F557 HydrophobicContact CG1-CD2 4.5Å; V555-F557 HydrophobicContact CG1-CE2 4.45Å; V555-F557 VanDerWaalsContact O-CD2 3.32Å; V555-F557 WeakPolarHBondContact O-CD2 3.44Å; V555-F557 PolarHBondContact O-N 3.14Å; F557-P559 WeakPolarHBondContact O-CD 3.17Å
558L31.4Very low30.7Very low141 Ų141135.7 Ų135.774%0.73875%0.749SS**  trans-60.2127.2156.3-72.1169.8000107.1I556 G560I556-L558 PolarHBondContact O-N 2.84Å; I556-L558 VanDerWaalsContact O-N 3.12Å; L558-G560 PolarHBondContact O-N 2.99Å
559P29.6Very low31Very low122 Ų122135.3 Ų135.379%0.79275%0.745SS**  trans-74.271.917730.5-34.7000110.6F557 E561F557-P559 WeakPolarHBondContact O-CD 3.17Å; P559-E561 PolarHBondContact O-N 2.98Å
560G32.6Very low31.6Very low59 Ų59136.2 Ų136.261%0.60874%0.736SS**  trans-76.597.616900000110.5L558 T562L558-G560 PolarHBondContact O-N 2.99Å; G560-T562 VanDerWaalsContact C-N 3.31Å; G560-T562 PolarHBondContact O-N 3.02Å
561E34.2Very low32.5Very low195 Ų195133 Ų13391%0.91172%0.722SS**  trans47.934.4158.3-58.6-166.512300118.2P559 L563P559-E561 PolarHBondContact O-N 2.98Å; E561-L563 PolarHBondContact O-N 3.47Å
562T28.7Very low33.8Very low123 Ų123135 Ų13576%0.75571%0.714SS**  trans-74.680.5157.655.70000109.5G560G560-T562 VanDerWaalsContact C-N 3.31Å; G560-T562 PolarHBondContact O-N 3.02Å
563L28.6Very low35.4Very low152 Ų152134.8 Ų134.880%0.79671%0.705SS**  trans45.6111.9166.2-73.9142.8000115.3E561E561-L563 PolarHBondContact O-N 3.47Å
564S26.1Very low37.3Very low94 Ų94132.7 Ų132.766%0.65770%0.699SS**  trans-48.5140.4143.952.10000108Q566S564-Q566 PolarHBondContact O-N 3.03Å
565P28.7Very low39.6Very low114 Ų114129.7 Ų129.774%0.7469%0.685SS**  trans-53.7122.2157.326.1-31.4000104I567P565-I567 PolarHBondContact O-N 2.8Å
566Q27.9Very low42Very low146 Ų146129.4 Ų129.468%0.68268%0.68SS**  trans-57.3105172.8-115.1-173.8-11.700105S564 N568S564-Q566 PolarHBondContact O-N 3.03Å; Q566-N568 PolarHBondContact O-N 3.45Å; Q566-N568 PolarHBondContact OE1-ND2 3.3Å; Q566-N568 VanDerWaalsContact OE1-ND2 3.14Å; Q566-N568 PolarHBondContact OE1-OD1 2.95Å
567I34Very low44.5Very low142 Ų142126.6 Ų126.673%0.72867%0.665SS**  trans-65.874145.9-53.4-179.6000103.5P565 T569P565-I567 PolarHBondContact O-N 2.8Å; I567-T569 HydrophobicContact CG2-CG2 4.26Å; I567-T569 PolarHBondContact O-N 2.97Å; I567-T569 PolarHBondContact O-OG1 3.13Å
568N35.8Very low47.3Very low99 Ų99121.8 Ų121.853%0.52965%0.65SS.*  trans-49.985.1133.3-72.8-45.6000104.8Q566 K570Q566-N568 PolarHBondContact O-N 3.45Å; Q566-N568 PolarHBondContact OE1-ND2 3.3Å; Q566-N568 VanDerWaalsContact OE1-ND2 3.14Å; Q566-N568 PolarHBondContact OE1-OD1 2.95Å; N568-K570 PolarHBondContact O-N 2.84Å
569T39.9Very low50.1Low103 Ų103119 Ų11963%0.63264%0.639SS**  -42.178.7119.241.50000106.8I567 T571I567-T569 HydrophobicContact CG2-CG2 4.26Å; I567-T569 PolarHBondContact O-N 2.97Å; I567-T569 PolarHBondContact O-OG1 3.13Å; T569-T571 PolarHBondContact O-N 3.36Å
570K46.7Very low52.8Low148 Ų148116.9 Ų116.964%0.64363%0.626SS**  trans-50100.4146.5-83.8-168.1172.4-170.70102.3N568 Y572N568-K570 PolarHBondContact O-N 2.84Å; K570-Y572 HydrophobicContact CB-CE2 4.43Å; K570-Y572 WeakPolarHBondContact O-CD2 3.45Å; K570-Y572 PolarHBondContact O-N 3.09Å
571T50.9Low55.6Low92 Ų92117 Ų11756%0.56462%0.621SS**  trans-67.191.7176.534.50000103.5T569 W573 N574T569-T571 PolarHBondContact O-N 3.36Å; T571-W573 WeakPolarHBondContact O-CA 3.27Å; T571-W573 WeakPolarHBondContact O-CB 3.2Å; T571-W573 PolarHBondContact O-N 3.1Å; T571-N574 PolarHBondContact O-N 3.4Å
572Y59.1Low58.2Low161 Ų161112.7 Ų112.763%0.63160%0.604SS**THydrogen-bonded Turntrans-57.7-11.3-175.9-75.2-78000111K570 N574 E575 L576K570-Y572 HydrophobicContact CB-CE2 4.43Å; K570-Y572 WeakPolarHBondContact O-CD2 3.45Å; K570-Y572 PolarHBondContact O-N 3.09Å; Y572-N574 CarbonylContact O-C 3.21Å; Y572-N574 PolarHBondContact O-N 2.8Å; Y572-E575 HydrophobicContact CD1-CB 4.35Å; Y572-E575 HydrophobicContact CD1-CG 4.05Å; Y572-E575 CarbonylContact O-C 3.58Å; Y572-E575 WeakPolarHBondContact O-CA 3.39Å; Y572-E575 WeakPolarHBondContact O-CB 3.15Å; Y572-E575 PolarHBondContact O-N 3.11Å; Y572-L576 WeakPolarHBondContact O-CB 3.42Å; Y572-L576 PolarHBondContact O-N 2.86Å
573W64.9Low61.1Low172 Ų172112.1 Ų112.165%0.65260%0.595SS**Hα-helixtrans-15.3-54.2151.1-99.9101000116.5T571 L576 I577T571-W573 WeakPolarHBondContact O-CA 3.27Å; T571-W573 WeakPolarHBondContact O-CB 3.2Å; T571-W573 PolarHBondContact O-N 3.1Å; W573-L576 PolarHBondContact O-N 2.82Å; W573-I577 HydrophobicContact CE3-CD1 3.69Å; W573-I577 HydrophobicContact CE3-CG1 4.02Å; W573-I577 HydrophobicContact CZ3-CD1 4Å; W573-I577 HydrophobicContact CZ3-CG1 4.22Å; W573-I577 WeakPolarHBondContact O-CB 3.34Å; W573-I577 WeakPolarHBondContact O-CG1 3.45Å; W573-I577 PolarHBondContact O-N 3.16Å
574N69.8Low64.2Low118 Ų118106.4 Ų106.463%0.63157%0.573SS**Hα-helixtrans-69.7-47.8179-723.5000112.2T571 Y572 L576 I577 V578T571-N574 PolarHBondContact O-N 3.4Å; Y572-N574 CarbonylContact O-C 3.21Å; Y572-N574 PolarHBondContact O-N 2.8Å; N574-L576 VanDerWaalsContact C-N 3.25Å; N574-L576 PolarHBondContact O-N 3.34Å; N574-I577 PolarHBondContact O-N 2.98Å; N574-V578 WeakPolarHBondContact O-CG2 3.16Å; N574-V578 PolarHBondContact O-N 2.83Å
575E78.1Confident67.3Low117 Ų117108.5 Ų108.555%0.54757%0.571SS.*Hα-helixtrans-63.4-31.3173.7-53.5-64172.200112.1Y572 V578 V579Y572-E575 HydrophobicContact CD1-CB 4.35Å; Y572-E575 HydrophobicContact CD1-CG 4.05Å; Y572-E575 CarbonylContact O-C 3.58Å; Y572-E575 WeakPolarHBondContact O-CA 3.39Å; Y572-E575 WeakPolarHBondContact O-CB 3.15Å; Y572-E575 PolarHBondContact O-N 3.11Å; E575-V578 PolarHBondContact O-N 3.05Å; E575-V579 WeakPolarHBondContact O-CB 3.38Å; E575-V579 VanDerWaalsContact O-CG2 3.23Å; E575-V579 WeakPolarHBondContact O-CG2 3.44Å; E575-V579 PolarHBondContact O-N 3.26Å
576L75.4Confident70.3Confident96 Ų96106.5 Ų106.550%0.50356%0.56SS.*Hα-helixtrans-77.1-40.4-179.4-177.168.4000110.4Y572 W573 N574 V578 V579 C580Y572-L576 WeakPolarHBondContact O-CB 3.42Å; Y572-L576 PolarHBondContact O-N 2.86Å; W573-L576 PolarHBondContact O-N 2.82Å; N574-L576 VanDerWaalsContact C-N 3.25Å; N574-L576 PolarHBondContact O-N 3.34Å; L576-V578 VanDerWaalsContact C-N 3.31Å; L576-V579 PolarHBondContact O-N 2.82Å; L576-C580 WeakPolarHBondContact O-CB 3.28Å; L576-C580 PolarHBondContact O-N 2.96Å; L576-C580 PolarHBondContact O-SG 3.31Å
577I84Confident73.4Confident90 Ų90103.3 Ų103.346%0.46255%0.55SS.*Hα-helixtrans-58.9-46.4166.9-74.3164.2000109.2W573 N574 C580 A581W573-I577 HydrophobicContact CE3-CD1 3.69Å; W573-I577 HydrophobicContact CE3-CG1 4.02Å; W573-I577 HydrophobicContact CZ3-CD1 4Å; W573-I577 HydrophobicContact CZ3-CG1 4.22Å; W573-I577 WeakPolarHBondContact O-CB 3.34Å; W573-I577 WeakPolarHBondContact O-CG1 3.45Å; W573-I577 PolarHBondContact O-N 3.16Å; N574-I577 PolarHBondContact O-N 2.98Å; I577-C580 PolarHBondContact O-N 2.76Å; I577-A581 WeakPolarHBondContact O-CB 3.24Å; I577-A581 PolarHBondContact O-N 3.34Å
578V87.2Confident76.1Confident74 Ų74100.3 Ų100.345%0.44854%0.538SS..Hα-helixtrans-62.7-47178.1169.20000111.5N574 E575 L576 A581 L582N574-V578 WeakPolarHBondContact O-CG2 3.16Å; N574-V578 PolarHBondContact O-N 2.83Å; E575-V578 PolarHBondContact O-N 3.05Å; L576-V578 VanDerWaalsContact C-N 3.31Å; V578-A581 PolarHBondContact O-N 3.48Å; V578-L582 HydrophobicContact CG1-CD1 3.79Å; V578-L582 HydrophobicContact CG1-CG 4.36Å; V578-L582 VanDerWaalsContact O-CB 3.32Å; V578-L582 WeakPolarHBondContact O-CB 3.49Å; V578-L582 VanDerWaalsContact O-CG 3.24Å; V578-L582 WeakPolarHBondContact O-CG 3.32Å; V578-L582 PolarHBondContact O-N 3.17Å
579V89.1Confident78.8Confident82 Ų8298.9 Ų98.950%0.49753%0.533SS..Hα-helixtrans-65.7-42177.81670000111.6E575 L576 L582 L583E575-V579 WeakPolarHBondContact O-CB 3.38Å; E575-V579 VanDerWaalsContact O-CG2 3.23Å; E575-V579 WeakPolarHBondContact O-CG2 3.44Å; E575-V579 PolarHBondContact O-N 3.26Å; L576-V579 PolarHBondContact O-N 2.82Å; V579-L582 PolarHBondContact O-N 2.78Å; V579-L583 WeakPolarHBondContact O-CB 3.44Å; V579-L583 PolarHBondContact O-N 2.7Å
580C86.8Confident81.2Confident77 Ų77100.7 Ų100.752%0.5253%0.532SS..Hα-helixtrans-67.7-35.8175.3-72.70000112.3L576 I577 G584L576-C580 WeakPolarHBondContact O-CB 3.28Å; L576-C580 PolarHBondContact O-N 2.96Å; L576-C580 PolarHBondContact O-SG 3.31Å; I577-C580 PolarHBondContact O-N 2.76Å; C580-G584 PolarHBondContact O-N 2.86Å
581A90.9Very high83.1Confident61 Ų6196.2 Ų96.250%0.50452%0.52SS..Hα-helixtrans-69.8-42.5174.500000111.7I577 V578 G584 F585I577-A581 WeakPolarHBondContact O-CB 3.24Å; I577-A581 PolarHBondContact O-N 3.34Å; V578-A581 PolarHBondContact O-N 3.48Å; A581-G584 PolarHBondContact O-N 3.47Å; A581-F585 VanDerWaalsContact O-CB 3.27Å; A581-F585 WeakPolarHBondContact O-CB 3.27Å; A581-F585 PolarHBondContact O-N 2.83Å
582L90.3Very high84.9Confident106 Ų10697 Ų9756%0.55552%0.52SS*.Hα-helixtrans-64.4-44.9174.3-74.6171.2000111.4V578 V579 F585 S586V578-L582 HydrophobicContact CG1-CD1 3.79Å; V578-L582 HydrophobicContact CG1-CG 4.36Å; V578-L582 VanDerWaalsContact O-CB 3.32Å; V578-L582 WeakPolarHBondContact O-CB 3.49Å; V578-L582 VanDerWaalsContact O-CG 3.24Å; V578-L582 WeakPolarHBondContact O-CG 3.32Å; V578-L582 PolarHBondContact O-N 3.17Å; V579-L582 PolarHBondContact O-N 2.78Å; L582-F585 PolarHBondContact O-N 3.5Å; L582-S586 WeakPolarHBondContact O-CB 3.43Å; L582-S586 PolarHBondContact O-N 2.84Å; L582-S586 PolarHBondContact O-OG 2.87Å
583L89.7Confident86.2Confident110 Ų11094.9 Ų94.958%0.57651%0.514SS*.Hα-helixtrans-67.4-40.4177.7-168.5152.3000111.2V579 S586 V587V579-L583 WeakPolarHBondContact O-CB 3.44Å; V579-L583 PolarHBondContact O-N 2.7Å; L583-S586 PolarHBondContact O-N 3.02Å; L583-V587 HydrophobicContact CD2-CG2 4.08Å; L583-V587 WeakPolarHBondContact O-CB 3.15Å; L583-V587 WeakPolarHBondContact O-CG2 3.4Å; L583-V587 PolarHBondContact O-N 2.77Å
584G92Very high87.1Confident33 Ų3389.4 Ų89.434%0.3450%0.5SS..Hα-helixtrans-59.9-45.417100000112.3C580 A581 V587 V588C580-G584 PolarHBondContact O-N 2.86Å; A581-G584 PolarHBondContact O-N 3.47Å; G584-V587 PolarHBondContact O-N 2.82Å; G584-V588 WeakPolarHBondContact O-CB 3.48Å; G584-V588 WeakPolarHBondContact O-CG2 3.33Å; G584-V588 PolarHBondContact O-N 3.3Å
585F93.1Very high87.7Confident137 Ų13788.3 Ų88.360%0.60149%0.493SS*.Hα-helixtrans-62.8-43174-177.3-98.4000111.9A581 L582 V587 V588 V589A581-F585 VanDerWaalsContact O-CB 3.27Å; A581-F585 WeakPolarHBondContact O-CB 3.27Å; A581-F585 PolarHBondContact O-N 2.83Å; L582-F585 PolarHBondContact O-N 3.5Å; F585-V587 PolarHBondContact O-N 3.34Å; F585-V588 PolarHBondContact O-N 2.92Å; F585-V589 HydrophobicContact CD1-CG2 4.06Å; F585-V589 HydrophobicContact CE1-CG2 3.68Å; F585-V589 HydrophobicContact CE2-CG2 4.19Å; F585-V589 HydrophobicContact CG-CG2 4.47Å; F585-V589 HydrophobicContact CZ-CG2 3.75Å; F585-V589 WeakPolarHBondContact O-CB 3.48Å; F585-V589 WeakPolarHBondContact O-CG2 3.29Å; F585-V589 PolarHBondContact O-N 2.96Å
586S90.4Very high87.8Confident73 Ų7390.8 Ų90.851%0.5150%0.498SS..Hα-helixtrans-60.6-43174.5-620000112.1L582 L583 V589 F590L582-S586 WeakPolarHBondContact O-CB 3.43Å; L582-S586 PolarHBondContact O-N 2.84Å; L582-S586 PolarHBondContact O-OG 2.87Å; L583-S586 PolarHBondContact O-N 3.02Å; S586-V589 PolarHBondContact O-N 3.15Å; S586-F590 VanDerWaalsContact O-CB 3.27Å; S586-F590 WeakPolarHBondContact O-CB 3.44Å; S586-F590 PolarHBondContact O-N 2.89Å
587V92.5Very high87.9Confident79 Ų7995.1 Ų95.148%0.47951%0.508SS..Hα-helixtrans-66.5-40.1175.7169.30000111.4L583 G584 F585 F590 S591L583-V587 HydrophobicContact CD2-CG2 4.08Å; L583-V587 WeakPolarHBondContact O-CB 3.15Å; L583-V587 WeakPolarHBondContact O-CG2 3.4Å; L583-V587 PolarHBondContact O-N 2.77Å; G584-V587 PolarHBondContact O-N 2.82Å; F585-V587 PolarHBondContact O-N 3.34Å; V587-F590 PolarHBondContact O-N 2.84Å; V587-S591 VanDerWaalsContact O-CB 3.26Å; V587-S591 WeakPolarHBondContact O-CB 3.42Å; V587-S591 PolarHBondContact O-N 3.47Å; V587-S591 PolarHBondContact O-OG 2.8Å
588V92.3Very high87.1Confident79 Ų7994.4 Ų94.448%0.47951%0.505SS..Hα-helixtrans-65.1-45.2174.7168.10000111.2G584 F585 S591 L592G584-V588 WeakPolarHBondContact O-CB 3.48Å; G584-V588 WeakPolarHBondContact O-CG2 3.33Å; G584-V588 PolarHBondContact O-N 3.3Å; F585-V588 PolarHBondContact O-N 2.92Å; V588-S591 PolarHBondContact O-N 3.28Å; V588-L592 HydrophobicContact CG1-CD1 3.88Å; V588-L592 HydrophobicContact CG1-CG 4.39Å; V588-L592 WeakPolarHBondContact O-CB 3.19Å; V588-L592 VanDerWaalsContact O-CG 3.27Å; V588-L592 WeakPolarHBondContact O-CG 3.38Å; V588-L592 PolarHBondContact O-N 2.7Å
589V92.2Very high86.3Confident69 Ų6998.1 Ų98.142%0.41851%0.511SS..Hα-helixtrans-63.3-41.7175.7169.30000111.1F585 S586 L592 F593F585-V589 HydrophobicContact CD1-CG2 4.06Å; F585-V589 HydrophobicContact CE1-CG2 3.68Å; F585-V589 HydrophobicContact CE2-CG2 4.19Å; F585-V589 HydrophobicContact CG-CG2 4.47Å; F585-V589 HydrophobicContact CZ-CG2 3.75Å; F585-V589 WeakPolarHBondContact O-CB 3.48Å; F585-V589 WeakPolarHBondContact O-CG2 3.29Å; F585-V589 PolarHBondContact O-N 2.96Å; S586-V589 PolarHBondContact O-N 3.15Å; V589-L592 PolarHBondContact O-N 3.2Å; V589-F593 VanDerWaalsContact O-CB 3.29Å; V589-F593 WeakPolarHBondContact O-CB 3.33Å; V589-F593 PolarHBondContact O-N 2.93Å
590F90.6Very high85.1Confident140 Ų14099.2 Ų99.261%0.61451%0.514SS*.Hα-helixtrans-66.5-40.6176.1-165.3-92.4000111.8S586 V587 F593 V594S586-F590 VanDerWaalsContact O-CB 3.27Å; S586-F590 WeakPolarHBondContact O-CB 3.44Å; S586-F590 PolarHBondContact O-N 2.89Å; V587-F590 PolarHBondContact O-N 2.84Å; F590-F593 PolarHBondContact O-N 2.87Å; F590-V594 HydrophobicContact CD1-CG2 4.01Å; F590-V594 HydrophobicContact CE1-CG2 3.79Å; F590-V594 HydrophobicContact CZ-CG2 4.45Å; F590-V594 WeakPolarHBondContact O-CG2 3.39Å; F590-V594 PolarHBondContact O-N 3Å
591S86.4Confident83.8Confident55 Ų55101.9 Ų101.939%0.38552%0.518SS..Hα-helixtrans-64.7-43.2175-59.40000111.5V587 V588 F593 V594 I595V587-S591 VanDerWaalsContact O-CB 3.26Å; V587-S591 WeakPolarHBondContact O-CB 3.42Å; V587-S591 PolarHBondContact O-N 3.47Å; V587-S591 PolarHBondContact O-OG 2.8Å; V588-S591 PolarHBondContact O-N 3.28Å; S591-F593 VanDerWaalsContact C-N 3.34Å; S591-V594 PolarHBondContact O-N 3.3Å; S591-I595 WeakPolarHBondContact O-CB 3.2Å; S591-I595 WeakPolarHBondContact O-CD1 3.45Å; S591-I595 WeakPolarHBondContact O-CG1 3.27Å; S591-I595 PolarHBondContact O-N 3.31Å
592L88.5Confident82.2Confident108 Ų108103.8 Ų103.857%0.56552%0.518SS*.Hα-helixtrans-64.5-37.1173.7-73.6171.1000111.9V588 V589 I595 Y596V588-L592 HydrophobicContact CG1-CD1 3.88Å; V588-L592 HydrophobicContact CG1-CG 4.39Å; V588-L592 WeakPolarHBondContact O-CB 3.19Å; V588-L592 VanDerWaalsContact O-CG 3.27Å; V588-L592 WeakPolarHBondContact O-CG 3.38Å; V588-L592 PolarHBondContact O-N 2.7Å; V589-L592 PolarHBondContact O-N 3.2Å; L592-I595 PolarHBondContact O-N 3.28Å; L592-Y596 WeakPolarHBondContact O-CB 3.35Å; L592-Y596 PolarHBondContact O-N 3.48Å
593F86.2Confident80.6Confident117 Ų117104.7 Ų104.751%0.51352%0.518SS..Hα-helixtrans-66.9-41.8174.4-178.1-99.8000111.9V589 F590 S591 Y596 R597V589-F593 VanDerWaalsContact O-CB 3.29Å; V589-F593 WeakPolarHBondContact O-CB 3.33Å; V589-F593 PolarHBondContact O-N 2.93Å; F590-F593 PolarHBondContact O-N 2.87Å; S591-F593 VanDerWaalsContact C-N 3.34Å; F593-Y596 PolarHBondContact O-N 3.34Å; F593-R597 WeakPolarHBondContact O-CB 3.26Å; F593-R597 PolarHBondContact O-N 2.85Å
594V84.2Confident78.9Confident57 Ų57102.3 Ų102.335%0.34551%0.51SS..Hα-helixtrans-65-44.5173.6169.50000111.1F590 S591 Y596 R597 N598F590-V594 HydrophobicContact CD1-CG2 4.01Å; F590-V594 HydrophobicContact CE1-CG2 3.79Å; F590-V594 HydrophobicContact CZ-CG2 4.45Å; F590-V594 WeakPolarHBondContact O-CG2 3.39Å; F590-V594 PolarHBondContact O-N 3Å; S591-V594 PolarHBondContact O-N 3.3Å; V594-Y596 VanDerWaalsContact C-N 3.35Å; V594-Y596 PolarHBondContact O-N 2.82Å; V594-R597 PolarHBondContact O-N 3.19Å; V594-N598 VanDerWaalsContact O-CB 3.27Å; V594-N598 WeakPolarHBondContact O-CB 3.1Å; V594-N598 PolarHBondContact O-N 3.2Å
595I81.4Confident77Confident94 Ų94107.2 Ų107.248%0.48253%0.526SS..Hα-helixtrans-64.6-38.6175.9-69.9163.9000111.1S591 L592 N598 R599S591-I595 WeakPolarHBondContact O-CB 3.2Å; S591-I595 WeakPolarHBondContact O-CD1 3.45Å; S591-I595 WeakPolarHBondContact O-CG1 3.27Å; S591-I595 PolarHBondContact O-N 3.31Å; L592-I595 PolarHBondContact O-N 3.28Å; I595-N598 CarbonylContact O-C 3.55Å; I595-R599 WeakPolarHBondContact O-CA 3.14Å; I595-R599 WeakPolarHBondContact O-CB 3.33Å; I595-R599 PolarHBondContact O-N 2.86Å
596Y79.9Confident75Confident170 Ų170107.6 Ų107.667%0.66753%0.533SS*.Hα-helixtrans-66.7-48.6175.7179.7-94.4000111.5L592 F593 V594 N598 R599L592-Y596 WeakPolarHBondContact O-CB 3.35Å; L592-Y596 PolarHBondContact O-N 3.48Å; F593-Y596 PolarHBondContact O-N 3.34Å; V594-Y596 VanDerWaalsContact C-N 3.35Å; V594-Y596 PolarHBondContact O-N 2.82Å; Y596-N598 VanDerWaalsContact C-N 3.3Å; Y596-N598 PolarHBondContact O-N 3.4Å; Y596-R599 WeakPolarHBondContact O-CB 3.2Å; Y596-R599 PolarHBondContact O-N 3.09Å; Y596-R599 VanDerWaalsContact O-N 3.09Å
597R78.1Confident72.8Confident187 Ų187113 Ų11371%0.70655%0.548SS*.Hα-helixtrans-63-34.6177176.6173.9162.5157.7-3.6112.6F593 V594F593-R597 WeakPolarHBondContact O-CB 3.26Å; F593-R597 PolarHBondContact O-N 2.85Å; V594-R597 PolarHBondContact O-N 3.19Å
598N67.9Low70.6Confident74 Ų74117.2 Ų117.240%0.39656%0.562SS.*THydrogen-bonded Turntrans-91.13.1175.8-67-1.2000113.1V594 I595 Y596 D600 H601 M602V594-N598 VanDerWaalsContact O-CB 3.27Å; V594-N598 WeakPolarHBondContact O-CB 3.1Å; V594-N598 PolarHBondContact O-N 3.2Å; I595-N598 CarbonylContact O-C 3.55Å; Y596-N598 VanDerWaalsContact C-N 3.3Å; Y596-N598 PolarHBondContact O-N 3.4Å; N598-D600 VanDerWaalsContact C-N 3.33Å; N598-D600 PolarHBondContact O-N 3.43Å; N598-H601 CarbonylContact O-C 3.5Å; N598-H601 WeakPolarHBondContact O-CA 3.27Å; N598-H601 WeakPolarHBondContact O-CB 3.5Å; N598-H601 PolarHBondContact O-N 3.42Å; N598-M602 PolarHBondContact O-N 2.91Å
599R70.3Confident68.4Low152 Ų152116.6 Ų116.657%0.57457%0.572SS**Hα-helixtrans-60.3-41.8-174.2-175.5173.6177.8143.3-1.8112.4I595 Y596 H601 M602 K603I595-R599 WeakPolarHBondContact O-CA 3.14Å; I595-R599 WeakPolarHBondContact O-CB 3.33Å; I595-R599 PolarHBondContact O-N 2.86Å; Y596-R599 WeakPolarHBondContact O-CB 3.2Å; Y596-R599 PolarHBondContact O-N 3.09Å; Y596-R599 VanDerWaalsContact O-N 3.09Å; R599-H601 VanDerWaalsContact C-N 3.34Å; R599-M602 PolarHBondContact O-N 2.62Å; R599-K603 WeakPolarHBondContact O-CG 3.38Å; R599-K603 PolarHBondContact O-N 2.94Å
600D62.4Low65.8Low105 Ų105122.5 Ų122.556%0.56160%0.595SS**Hα-helixtrans-77.1-23.8177.5-63.7-49000112.3N598 K603N598-D600 VanDerWaalsContact C-N 3.33Å; N598-D600 PolarHBondContact O-N 3.43Å; D600-K603 PolarHBondContact O-N 3.45Å; D600-K603 WeakPolarHBondContact OD1-CD 3.35Å; D600-K603 WeakPolarHBondContact OD1-CE 3.36Å; D600-K603 IonicContact OD1-NZ 2.76Å; D600-K603 PolarHBondContact OD1-NZ 2.82Å
601H59.9Low63.2Low133 Ų133121.5 Ų121.562%0.61660%0.604SS**Hα-helixtrans-75.5-28.8171.3-140.4-51.6000112.6N598 R599 S604 M605N598-H601 CarbonylContact O-C 3.5Å; N598-H601 WeakPolarHBondContact O-CA 3.27Å; N598-H601 WeakPolarHBondContact O-CB 3.5Å; N598-H601 PolarHBondContact O-N 3.42Å; R599-H601 VanDerWaalsContact C-N 3.34Å; H601-S604 PolarHBondContact O-OG 3.32Å; H601-M605 WeakPolarHBondContact O-CG 3.4Å
602M58.8Low61.6Low101 Ų101124.2 Ų124.250%0.49862%0.62SS.*Hα-helixtrans-73.6-30.3169.4-81.9167.65000112.4N598 R599 S604 M605 L606N598-M602 PolarHBondContact O-N 2.91Å; R599-M602 PolarHBondContact O-N 2.62Å; M602-S604 VanDerWaalsContact C-N 3.31Å; M602-S604 PolarHBondContact O-N 2.81Å; M602-M605 PolarHBondContact O-N 2.74Å; M602-L606 PolarHBondContact O-N 2.82Å
603K56.8Low58.8Low125 Ų125126.4 Ų126.454%0.54363%0.632SS.*Hα-helixtrans-65.4-28.6176.3-77177.8-172.4161.70113.7R599 D600R599-K603 WeakPolarHBondContact O-CG 3.38Å; R599-K603 PolarHBondContact O-N 2.94Å; D600-K603 PolarHBondContact O-N 3.45Å; D600-K603 WeakPolarHBondContact OD1-CD 3.35Å; D600-K603 WeakPolarHBondContact OD1-CE 3.36Å; D600-K603 IonicContact OD1-NZ 2.76Å; D600-K603 PolarHBondContact OD1-NZ 2.82Å
604S52.7Low56.1Low61 Ų61127.9 Ų127.943%0.42764%0.642SS.*Hα-helixtrans-74.3-47.7172.659.20000111.1H601 M602 L606 K607H601-S604 PolarHBondContact O-OG 3.32Å; M602-S604 VanDerWaalsContact C-N 3.31Å; M602-S604 PolarHBondContact O-N 2.81Å; S604-L606 PolarHBondContact O-N 2.85Å; S604-K607 WeakPolarHBondContact O-CB 3.43Å; S604-K607 PolarHBondContact O-N 3.36Å
605M52.7Low53.6Low135 Ų135132.5 Ų132.567%0.66566%0.661SS**Hα-helixtrans-62.5-28.8-178.2-56.9-65.4-78.400113.1H601 M602 K607H601-M605 WeakPolarHBondContact O-CG 3.4Å; M602-M605 PolarHBondContact O-N 2.74Å; M605-K607 VanDerWaalsContact C-N 3.27Å; M605-K607 PolarHBondContact O-N 2.84Å
606L50.4Low51.1Low145 Ų145134.9 Ų134.976%0.75967%0.67SS**THydrogen-bonded Turntrans-79.40.2173.3-89.3162.6000114.5M602 S604M602-L606 PolarHBondContact O-N 2.82Å; S604-L606 PolarHBondContact O-N 2.85Å
607K45.5Very low48.7Very low186 Ų186135.9 Ų135.981%0.80968%0.677SS**THydrogen-bonded Turntrans-110.5-3.6-177.3-149.5-179179.3-1740114.6S604 M605S604-K607 WeakPolarHBondContact O-CB 3.43Å; S604-K607 PolarHBondContact O-N 3.36Å; M605-K607 VanDerWaalsContact C-N 3.27Å; M605-K607 PolarHBondContact O-N 2.84Å
608E46.4Very low46.3Very low169 Ų169136.3 Ų136.379%0.7968%0.684SS**SBendtrans-100.314.7173-62.6-174.2129.200112.3
609G46.1Very low45.1Very low65 Ų65137.7 Ų137.767%0.6770%0.697SS**  trans-98.516-168.800000117.3
610E36.3Very low43.1Very low194 Ų194141 Ų14191%0.90771%0.71SS**  trans-123.5132.5175.4-70.8-169.6131.100111.9
611C35.7Very low41.6Very low119 Ų119142.4 Ų142.480%0.80472%0.716SS**  trans-109.6-162.2-172.3-61.70000111.3
612P52.9Low40.2Very low112 Ų112142.9 Ų142.973%0.72773%0.728SS**  -125.6174.4-85.239.3-25.5000113
613N29.4Very low38.7Very low153 Ų153141.6 Ų141.682%0.81874%0.741SS**  trans-160.2168.2146.4-121.2-60.8000117.6
614M30.2Very low37.4Very low148 Ų148145.3 Ų145.373%0.72976%0.757SS**  trans-64.6163.5-172.4-55.7160.655.700113.7
615Q31Very low37.6Very low155 Ų155147.7 Ų147.772%0.72477%0.771SS**  cis-159.4160.845.9-66-174.36.600115.2
616Q30.2Very low36.6Very low144 Ų144147.2 Ų147.267%0.67378%0.775SS**  trans25.9142.5143.5-56.4-172.722.200120.8
617K29.7Very low35.8Very low190 Ų190147.9 Ų147.983%0.82677%0.774SS**  cis-163.8-178.539.4-136.4157.3-169.8170.40113.1
618K27.1Very low35Very low196 Ų196146.8 Ų146.885%0.85278%0.777SS**  trans-118.4179.1-177.9-105.4177.2-179.1173.10110
619P43.1Very low34.5Very low104 Ų104146.3 Ų146.368%0.67578%0.779SS**  cis-144.6179.4-2439.7-20.1000117.2
620R28.3Very low35.2Very low220 Ų220148 Ų14883%0.8378%0.779SS**  trans64.6134.7137.8-88.3-179.1164.7-171.3-2.4125.5
621I29.9Very low35Very low135 Ų135146.7 Ų146.769%0.69278%0.777SS**  trans95.8116.9130.8-75.6171.4000122.9
622V30.6Very low35Very low143 Ų143148.8 Ų148.887%0.86778%0.78SS**  trans44.5130.7139.5-174.20000122.5
623G27.2Very low33.9Very low74 Ų74147.1 Ų147.176%0.76378%0.783SS**  trans-175.1134.6158.200000115.8
624K31Very low34Very low204 Ų204145.2 Ų145.289%0.88778%0.782SS**  trans-160.3165.2170.7-107-165.7-179.3-172.40106.9
625P56.4Low34Very low111 Ų111145.2 Ų145.272%0.72179%0.79SS**  cis-129.1-160.9-25.339-20.6000111.2
626V32.2Very low34.1Very low124 Ų124143.9 Ų143.975%0.75279%0.793SS**  trans158.7157.3133.6162.20000111.3
627E32.2Very low34Very low160 Ų160142.9 Ų142.975%0.74880%0.796SS**  trans-80.5173.6-162.1-57.8137.7107.400116.8
628N30.1Very low34.1Very low162 Ų162140 Ų14087%0.86680%0.795SS**  -156147.7122.6-96.9-43.8000112.7
629L35.3Very low34.2Very low160 Ų160136.1 Ų136.184%0.83879%0.792SS**  trans-153.2-174.1176.4-114.4109.3000106.1
630P60.2Low33.6Very low101 Ų101135 Ų13566%0.65679%0.792SS**  cis-128.4-169.7-11.141.3-25.8000113
631L33Very low33.8Very low166 Ų166129.5 Ų129.587%0.86979%0.787SS**  trans-165.7162.1130.2-107.3167.3000112.8
632N35Very low33.9Very low163 Ų163129.7 Ų129.787%0.87279%0.79SS**  trans-84.6174.2-172.1-70.5-26.1000113.2
633G30.4Very low33.9Very low76 Ų76132 Ų13278%0.78479%0.791SS**  cis-171.4-157.11100000113.7
634S31.8Very low34.2Very low113 Ų113138.3 Ų138.379%0.7980%0.797SS**  trans-129.8157.1-162.255.90000116.4
635T30.6Very low34Very low148 Ų148131.8 Ų131.891%0.90879%0.788SS**  trans-173.7-177.1147.414.80000111.6
636V31.3Very low32.8Very low128 Ų128136.5 Ų136.578%0.77679%0.792SS**  trans-137.7166.9-152.6-174.90000113.5
637T29.8Very low32.7Very low122 Ų122137.6 Ų137.675%0.74879%0.79SS**  trans80.1142172.864.30000117.1
638T30Very low32.7Very low130 Ų130135.9 Ų135.980%0.79879%0.79SS**  cis-158.3157.1-3.13.40000113.2
639S30.5Very low32.6Very low114 Ų114136.2 Ų136.280%0.79779%0.791SS**  trans66.3111.1147.7-178.40000122.4
640A30Very low32.4Very low82 Ų82134.6 Ų134.668%0.67878%0.783SS**  165.8143.4110.400000114.2
641S32.1Very low30.9Very low104 Ų104135.6 Ų135.673%0.72778%0.783SS**  trans54.8148.6159.5570000120.4
642D31.7Very low30.7Very low138 Ų138134.8 Ų134.874%0.73878%0.779SS**  cis-159.5140.7-19.2-115.8-44.1000110.7
643H32.2Very low30.4Very low193 Ų193138 Ų13889%0.89478%0.781SS**  trans-156.3127.3166.8-92.1-30.3000113
644K31.8Very low30.3Very low205 Ų205142 Ų14289%0.89178%0.783SS**  trans-151159.7167-70.2-179.9-179.8171.90108.3
645G27Very low30.1Very low67 Ų67142.2 Ų142.269%0.69178%0.784SS**  cis137.4109-8.600000114.8
646Y31Very low29.9Very low210 Ų210141 Ų14182%0.82478%0.782SS**  trans80.3144.8154.2-80.2-66.8000124.7
647Q29.9Very low29.8Very low148 Ų148141.3 Ų141.369%0.69278%0.784SS**  trans62.5123.1143.8-74.7147.5-11.500119.5
648T32.5Very low31.1Very low123 Ų123141.2 Ų141.276%0.75579%0.785SS**  69.6126.557.568.40000116.4
649L28.2Very low31.8Very low169 Ų169139.9 Ų139.989%0.88578%0.779SS**  trans-174-178.3136.4-106.2166.2000114.2
650N30.7Very low31.7Very low126 Ų126142.4 Ų142.467%0.67478%0.778SS**  trans-115.2157.5-153.2-91.851.1000117.1
651D30.2Very low31.5Very low123 Ų123145.9 Ų145.966%0.65878%0.78SS**  trans58.1152136.6-54.3-24.5000126.4
652N29Very low31.1Very low148 Ų148146.4 Ų146.479%0.79178%0.782SS**  trans83.3128.8152.4-62-50.4000121.2
653Y28.3Very low30.8Very low230 Ų230145.5 Ų145.590%0.90279%0.787SS**  -164.3178.2121.9-118.4-83.2000112.3
654L27.8Very low30.6Very low160 Ų160141.8 Ų141.884%0.83878%0.782SS**  trans-110.7177.5-159.9-82.3134000116.5
655C27.3Very low31.3Very low119 Ų119137.2 Ų137.280%0.80477%0.774SS**  trans-75.3160.5-169-46.30000117.7
656S27.4Very low31.4Very low122 Ų122140.4 Ų140.485%0.85378%0.775SS**  trans-176.2166.4139.4-80.80000113.5
657T29.2Very low31.2Very low134 Ų134137 Ų13782%0.82277%0.771SS**  trans-152.2176.3-176.753.90000111.9
658P56.3Low31.2Very low121 Ų121135.9 Ų135.979%0.78677%0.774SS**  cis-110.4-105.2-18.133-12000111.2
659P44.2Very low30.9Very low101 Ų101139.7 Ų139.766%0.65678%0.781SS**  cis-131.3-174.7-10.544.9-27.4000117.1
660H29.1Very low30.8Very low167 Ų167137.4 Ų137.477%0.77378%0.779SS**  trans73166.4159.5-81.6-62.1000123.3
661E26.1Very low30.7Very low155 Ų155141.8 Ų141.872%0.72479%0.792SS**  trans-121.8163.8-150.1-52.4130.2106.300115.3
662C22.3Very low30.7Very low115 Ų115141.8 Ų141.878%0.77780%0.802SS**  167.6141.1116.2-95.40000116.7
663S26.9Very low30.8Very low120 Ų120144 Ų14484%0.83981%0.807SS**  trans62.8147.2148.4550000123.7
664S26.8Very low30.9Very low114 Ų114138.4 Ų138.480%0.79780%0.802SS**  trans-109.5-168.6177.8-40.80000110.2
665P47.7Very low31.1Very low109 Ų109139.3 Ų139.371%0.70880%0.802SS**  cis-142.4-166.1544.3-23.6000117.4
666D27.9Very low31.4Very low134 Ų134143.5 Ų143.572%0.71781%0.806SS**  trans89.9117.7150-75.1-2.1000124.1
667N27.5Very low31.6Very low138 Ų138148.7 Ų148.774%0.73881%0.807SS**  trans65.3142.2153.4-63-58.5000118.9
668T28.9Very low32Very low125 Ų125148.3 Ų148.377%0.76781%0.807SS**  cis-151.615713.3-21.70000113.3
669K27.8Very low31.3Very low204 Ų204149 Ų14989%0.88780%0.803SS**  trans-16.4131.2170.6-62.8171.5176.9174.90120.4
670S26.4Very low31.2Very low121 Ų121149.2 Ų149.285%0.84680%0.799SS**  trans-158.1163.9130.462.70000111.2
671F27.9Very low31.9Very low218 Ų218148.7 Ų148.796%0.95680%0.801SS**  trans-106136-178.6-97.8-105.3000111.4
672S29.1Very low33Very low122 Ų122150.5 Ų150.585%0.85381%0.807SS**  trans-160.6153.2146.357.90000111
673E32.9Very low34.2Very low195 Ų195150.6 Ų150.691%0.91180%0.796SS**  trans-83.4135.8174-62.7170.29700111
674S29.3Very low35.2Very low113 Ų113148.1 Ų148.179%0.7978%0.778SS**  trans-170.1172.9143.2-1580000112.7
675E31.3Very low36.6Very low179 Ų179147.1 Ų147.184%0.83676%0.761SS**  trans69.7102.4160.7-52.4-142.413700119.5
676K34.3Very low37.1Very low206 Ų206146.1 Ų146.190%0.89675%0.753SS**PPolyproline II helixtrans-69.8128.3163.8-59.5165.3-177.5170.80109.6
677R32.4Very low38.5Very low231 Ų231143.9 Ų143.987%0.87274%0.738SS**PPolyproline II helixtrans-65.5145.7159.1-79.5-177.2173.1174.8-2110.1L679R677-L679 PolarHBondContact O-N 3.42Å
678P36.1Very low39.7Very low126 Ų126143.2 Ų143.282%0.81873%0.733SS**PPolyproline II helixtrans-66130.1170.227.9-33.4000110.3
679L43Very low40.6Very low135 Ų135139.7 Ų139.771%0.70771%0.714SS**PPolyproline II helixtrans-74.7129.3175.9-71.5165.8000110R677 L681R677-L679 PolarHBondContact O-N 3.42Å; L679-L681 PolarHBondContact O-N 3.28Å
680N40.8Very low41.7Very low107 Ų107136.7 Ų136.757%0.57272%0.715SS**  trans-78.2106.7179.5-171.96.4000110.4K682 E683N680-K682 PolarHBondContact O-N 2.79Å; N680-E683 PolarHBondContact O-N 3.5Å
681L45.3Very low43Very low156 Ų156136.1 Ų136.182%0.81771%0.711SS**THydrogen-bonded Turntrans-68.75.9-168.1-144.783.7000115.6L679L679-L681 PolarHBondContact O-N 3.28Å
682K47.6Very low43.8Very low193 Ų193128.8 Ų128.884%0.83969%0.686SS**THydrogen-bonded Turntrans-98.6-8.2-179.3-74.3-172173.3-1760114.7N680N680-K682 PolarHBondContact O-N 2.79Å
683E49Very low44.9Very low117 Ų117128.9 Ų128.955%0.54768%0.684SS.*SBendtrans-117.528-171-63.3178.2171.300113.1N680N680-E683 PolarHBondContact O-N 3.5Å
684S48.2Very low45.8Very low67 Ų67128.9 Ų128.947%0.46968%0.675SS.*EExtended strand (participates in β ladder)trans-103.2110.4173.960.20000111.1R698S684-R698 WeakPolarHBondContact CA-O 3.44Å
685H55Low47Very low93 Ų93127.1 Ų127.143%0.43166%0.661SS.*EExtended strand (participates in β ladder)trans-128.2162.5172.766.2-88.3000111.4E687 R698H685-E687 IonicContact CD2-OE1 3.89Å; H685-E687 IonicContact CE1-OE1 3.3Å; H685-E687 IonicContact NE2-OE1 2.86Å; H685-E687 PolarHBondContact NE2-OE1 3.09Å; H685-R698 PolarHBondContact O-N 2.83Å
686V58.1Low48.3Very low89 Ų89124.2 Ų124.254%0.53964%0.643SS.*EExtended strand (participates in β ladder)trans-106.9124.8-178.8-176.90000109.2P695 R696 V697V686-P695 HydrophobicContact CG1-CB 3.62Å; V686-R696 WeakPolarHBondContact CA-O 3.36Å; V686-V697 HydrophobicContact CG2-CG2 4.36Å
687E57.8Low49.2Very low87 Ų87117.8 Ų117.841%0.40762%0.62SS.*EExtended strand (participates in β ladder)trans-103.9135.3174.6-66.9174.7-16300109.5H685 R696 R698H685-E687 IonicContact CD2-OE1 3.89Å; H685-E687 IonicContact CE1-OE1 3.3Å; H685-E687 IonicContact NE2-OE1 2.86Å; H685-E687 PolarHBondContact NE2-OE1 3.09Å; E687-R696 PolarHBondContact N-O 3.45Å; E687-R696 PolarHBondContact O-N 3.18Å; E687-R698 IonicContact OE1-NH1 2.98Å
688I52.6Low50.2Low124 Ų124110.6 Ų110.664%0.63659%0.593SS**EExtended strand (participates in β ladder)trans-116.7117.5173.8-59.4175.5000107.2P695I688-P695 HydrophobicContact CG1-CB 4.24Å
689S48.9Very low51Low51 Ų51108.5 Ų108.536%0.35758%0.575SS.*EExtended strand (participates in β ladder)trans-77.3134.1179.4-176.30000110.9S691 C692S689-S691 PolarHBondContact O-N 3.4Å; S689-S691 VanDerWaalsContact O-N 3.07Å; S689-S691 PolarHBondContact OG-N 3.5Å; S689-S691 PolarHBondContact OG-OG 2.92Å; S689-C692 CarbonylContact O-C 3.55Å; S689-C692 PolarHBondContact O-N 2.86Å; S689-C692 VanDerWaalsContact O-N 3.14Å; S689-C692 VanDerWaalsContact O-O 3.12Å
690P49.5Very low51.9Low141 Ų141103.4 Ų103.492%0.91656%0.555SS**THydrogen-bonded Turntrans-63.5-13.2172.128.1-35.4000113.1
691S55.1Low52.2Low109 Ų109103.7 Ų103.776%0.76257%0.566SS**THydrogen-bonded Turntrans-98.9-6.4176.562.40000115.1S689S689-S691 PolarHBondContact O-N 3.4Å; S689-S691 VanDerWaalsContact O-N 3.07Å; S689-S691 PolarHBondContact OG-N 3.5Å; S689-S691 PolarHBondContact OG-OG 2.92Å
692C42.8Very low52Low63 Ų63101.5 Ų101.543%0.42655%0.551SS.*EExtended strand (participates in β ladder)trans-157.8117.9178-168.20000111.6S689 R694S689-C692 CarbonylContact O-C 3.55Å; S689-C692 PolarHBondContact O-N 2.86Å; S689-C692 VanDerWaalsContact O-N 3.14Å; S689-C692 VanDerWaalsContact O-O 3.12Å; C692-R694 PolarHBondContact O-N 3.33Å
693P52.8Low52Low125 Ų12596.8 Ų96.881%0.81253%0.534SS*.EExtended strand (participates in β ladder)trans-8140.8-171.935.6-38.5000113.5
694R51.8Low51.9Low195 Ų19597.4 Ų97.474%0.73654%0.535SS*.EExtended strand (participates in β ladder)trans-107.7117.4170.3-70.3-173.1178.3-175.8-0.6108.9C692 R696C692-R694 PolarHBondContact O-N 3.33Å; R694-R696 PolarHBondContact O-N 3.45Å
695P54.9Low51.7Low76 Ų7698.7 Ų98.749%0.49454%0.536SS..EExtended strand (participates in β ladder)trans-65134.2174.727.3-32.9000109.8V686 I688V686-P695 HydrophobicContact CG1-CB 3.62Å; I688-P695 HydrophobicContact CG1-CB 4.24Å
696R59Low51.1Low118 Ų11898.9 Ų98.945%0.44555%0.549SS..EExtended strand (participates in β ladder)trans-113.5129.1175.8-78175.6158.5170.4-10.3109.8V686 E687 R694 D705V686-R696 WeakPolarHBondContact CA-O 3.36Å; E687-R696 PolarHBondContact N-O 3.45Å; E687-R696 PolarHBondContact O-N 3.18Å; R694-R696 PolarHBondContact O-N 3.45Å; R696-D705 IonicContact CZ-OD1 2.7Å; R696-D705 IonicContact CZ-OD2 2.7Å; R696-D705 IonicContact NE-OD1 3.86Å; R696-D705 PolarHBondContact NE-OD1 2.91Å; R696-D705 IonicContact NE-OD2 3.96Å; R696-D705 IonicContact NH2-OD1 2.88Å; R696-D705 PolarHBondContact NH2-OD1 3.02Å; R696-D705 IonicContact NH2-OD2 3.28Å; R696-D705 PolarHBondContact NH2-OD2 2.84Å
697V53.4Low50.1Low71 Ų71102.2 Ų102.243%0.4356%0.562SS.*EExtended strand (participates in β ladder)trans-88122.4175-173.20000108.7V686 L699V686-V697 HydrophobicContact CG2-CG2 4.36Å; V697-L699 HydrophobicContact CG1-CD2 4.49Å
698R52.5Low49Very low79 Ų79108 Ų10830%0.29860%0.602SS.*EExtended strand (participates in β ladder)trans-92.5135.9172.6-166.3175.1-171.3127.29.6109.8S684 H685 E687 G700 I703S684-R698 WeakPolarHBondContact CA-O 3.44Å; H685-R698 PolarHBondContact O-N 2.83Å; E687-R698 IonicContact OE1-NH1 2.98Å; R698-G700 WeakPolarHBondContact CG-O 3.35Å; R698-G700 PolarHBondContact NE-O 2.68Å; R698-I703 HydrophobicContact CG-CG1 4.43Å
699L52.9Low48.8Very low82 Ų82107.2 Ų107.243%0.42960%0.601SS.*EExtended strand (participates in β ladder)trans-121.180176.6-69.2172.2000108.5V697 S701 E702V697-L699 HydrophobicContact CG1-CD2 4.49Å; L699-S701 PolarHBondContact O-N 2.99Å; L699-E702 PolarHBondContact N-O 3.07Å; L699-E702 PolarHBondContact O-N 3.42Å
700G61.3Low48.8Very low29 Ų29110.2 Ų110.230%0.29961%0.614SS.*THydrogen-bonded Turntrans63.3-117.6-173.900000112.5R698R698-G700 WeakPolarHBondContact CG-O 3.35Å; R698-G700 PolarHBondContact NE-O 2.68Å
701S46.9Very low48.8Very low113 Ų113108.4 Ų108.479%0.7960%0.597SS**THydrogen-bonded Turntrans-78.2-22179.351.90000114.1L699L699-S701 PolarHBondContact O-N 2.99Å
702E41Very low48.4Very low109 Ų109108.4 Ų108.451%0.50959%0.587SS.*EExtended strand (participates in β ladder)trans-90.8138.1-179.7-71.3-172.6-175.900112.6L699 K704L699-E702 PolarHBondContact N-O 3.07Å; L699-E702 PolarHBondContact O-N 3.42Å; E702-K704 WeakPolarHBondContact OE2-CE 3.46Å; E702-K704 IonicContact OE2-NZ 3.62Å; E702-K704 PolarHBondContact OE2-NZ 3.24Å
703I48.3Very low48.8Very low94 Ų94111.3 Ų111.348%0.48260%0.597SS.*EExtended strand (participates in β ladder)trans-107.5124.3165.5-58.5173.1000106.7R698R698-I703 HydrophobicContact CG-CG1 4.43Å
704K46Very low48.5Very low130 Ų130110.3 Ų110.357%0.56558%0.583SS**  trans-116.5123.1170.4-71.8-178.1178.41560109.1E702 S706E702-K704 WeakPolarHBondContact OE2-CE 3.46Å; E702-K704 IonicContact OE2-NZ 3.62Å; E702-K704 PolarHBondContact OE2-NZ 3.24Å; K704-S706 PolarHBondContact O-N 3.39Å
705D45Very low48.3Very low94 Ų94104.3 Ų104.350%0.50357%0.572SS.*  trans-65.1124.8164.9-86-52.3000108.7R696 I707R696-D705 IonicContact CZ-OD1 2.7Å; R696-D705 IonicContact CZ-OD2 2.7Å; R696-D705 IonicContact NE-OD1 3.86Å; R696-D705 PolarHBondContact NE-OD1 2.91Å; R696-D705 IonicContact NE-OD2 3.96Å; R696-D705 IonicContact NH2-OD1 2.88Å; R696-D705 PolarHBondContact NH2-OD1 3.02Å; R696-D705 IonicContact NH2-OD2 3.28Å; R696-D705 PolarHBondContact NH2-OD2 2.84Å; D705-I707 PolarHBondContact O-N 3.43Å; D705-I707 VanDerWaalsContact O-N 3.1Å
706S41.4Very low47.7Very low98 Ų98106.5 Ų106.569%0.68558%0.578SS**  trans-71.2102.6175.654.10000109.5K704 V708K704-S706 PolarHBondContact O-N 3.39Å; S706-V708 PolarHBondContact O-N 3.45Å
707I37Very low46.8Very low159 Ų159105.5 Ų105.582%0.81559%0.589SS**  trans-81.396.9169.8-57.9178.8000107.7D705D705-I707 PolarHBondContact O-N 3.43Å; D705-I707 VanDerWaalsContact O-N 3.1Å
708V35.8Very low46.2Very low208 Ų208108.6 Ų108.6100%1.26160%0.603SS**  trans32.10163.3-167.50000115.5S706S706-V708 PolarHBondContact O-N 3.45Å

Retrieved 708 of 708 residues in 475.2 ms (Link to these results)

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