A0A087YIQ4_POEFO Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A087YIQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 742 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
1M34.2Very low72.3Confident243 Ų24373.5 Ų73.5100%1.19747%0.472SS*.  0105.20-57.6-69.6-88.900105.8
2A42.6Very low73.7Confident103 Ų10370 Ų7085%0.85145%0.449SS*.  trans-79.8140.1166.900000107.5
3S56.1Low75.1Confident74 Ų7475.4 Ų75.452%0.51746%0.457SS..  trans-72.8130.9177.244.30000110.3F5 G6S3-F5 PolarHBondContact O-N 2.91Å; S3-G6 PolarHBondContact O-N 3.18Å
4G70.1Confident76.4Confident46 Ų4670.1 Ų70.147%0.47442%0.424SS..THydrogen-bonded Turntrans-60.3-11.918000000115.1G6 F59G4-G6 PolarHBondContact O-N 3.09Å; G4-F59 WeakPolarHBondContact O-CE2 3.4Å; G4-F59 WeakPolarHBondContact O-CZ 3.49Å
5F78.4Confident77.6Confident13 Ų1371.2 Ų71.26%0.05742%0.423CS..THydrogen-bonded Turntrans-70.9-0.7178.1-64.7-92.5000114.7S3 K7 I8 M31 E33 S37 V38 L55S3-F5 PolarHBondContact O-N 2.91Å; F5-K7 PolarHBondContact O-N 3.05Å; F5-I8 VanDerWaalsContact O-CB 3.27Å; F5-I8 WeakPolarHBondContact O-CB 3.14Å; F5-I8 WeakPolarHBondContact O-CG1 3.12Å; F5-I8 PolarHBondContact O-N 3.1Å; F5-M31 HydrophobicContact CD1-CB 3.98Å; F5-M31 HydrophobicContact CD1-CG 4.2Å; F5-M31 HydrophobicContact CD1-SD 4.01Å; F5-M31 HydrophobicContact CE1-CB 3.75Å; F5-M31 HydrophobicContact CE1-CG 4.4Å; F5-M31 HydrophobicContact CG-SD 4.37Å; F5-M31 HydrophobicContact CZ-CB 4.35Å; F5-E33 HydrophobicContact CE2-CB 4.36Å; F5-E33 HydrophobicContact CE2-CG 3.89Å; F5-E33 HydrophobicContact CZ-CG 4.36Å; F5-S37 WeakPolarHBondContact CE1-O 3.19Å; F5-V38 HydrophobicContact CD1-CG1 3.84Å; F5-V38 HydrophobicContact CE1-CG1 3.82Å; F5-L55 HydrophobicContact CD1-CD1 3.85Å; F5-L55 HydrophobicContact CD1-CD2 3.78Å; F5-L55 HydrophobicContact CD1-CG 4.27Å; F5-L55 HydrophobicContact CD2-CD1 4.4Å; F5-L55 HydrophobicContact CE1-CD1 3.8Å; F5-L55 HydrophobicContact CE1-CD2 4.15Å; F5-L55 HydrophobicContact CE1-CG 4.21Å; F5-L55 HydrophobicContact CE2-CD1 4.35Å; F5-L55 HydrophobicContact CG-CD1 4.13Å; F5-L55 HydrophobicContact CG-CD2 4.48Å; F5-L55 HydrophobicContact CZ-CD1 4.04Å
6G82.3Confident78.5Confident25 Ų2566.9 Ų66.926%0.25840%0.398SS..THydrogen-bonded Turntrans61.9-120.5177.800000111.9S3 G4S3-G6 PolarHBondContact O-N 3.18Å; G4-G6 PolarHBondContact O-N 3.09Å
7K83.6Confident79.1Confident92 Ų9269.8 Ų69.840%0.440%0.404SS..THydrogen-bonded Turntrans-101.67.5176.7-60.3155-173.8136.10112.7F5 D64 V65 A66 D68F5-K7 PolarHBondContact O-N 3.05Å; K7-D64 WeakPolarHBondContact CD-O 3.5Å; K7-D64 PolarHBondContact NZ-O 3.4Å; K7-V65 HydrophobicContact CB-CB 4.43Å; K7-V65 PolarHBondContact N-O 2.92Å; K7-A66 PolarHBondContact NZ-O 3.46Å; K7-D68 WeakPolarHBondContact CE-OD2 3.49Å; K7-D68 IonicContact NZ-OD1 2.67Å; K7-D68 PolarHBondContact NZ-OD1 3.07Å; K7-D68 IonicContact NZ-OD2 2.59Å; K7-D68 PolarHBondContact NZ-OD2 3.31Å
8I86.4Confident79.3Confident6 Ų669.5 Ų69.53%0.03140%0.395CS..  trans-74.3134.6179.7-57.1169.8000110F5 V28 M31 V38 L55 I58 F59 V65F5-I8 VanDerWaalsContact O-CB 3.27Å; F5-I8 WeakPolarHBondContact O-CB 3.14Å; F5-I8 WeakPolarHBondContact O-CG1 3.12Å; F5-I8 PolarHBondContact O-N 3.1Å; I8-V28 HydrophobicContact CG2-CB 4.48Å; I8-V28 HydrophobicContact CG2-CG1 4.26Å; I8-V28 HydrophobicContact CG2-CG2 3.86Å; I8-M31 HydrophobicContact CG2-SD 4.24Å; I8-V38 HydrophobicContact CG2-CG1 4.45Å; I8-L55 HydrophobicContact CD1-CD2 3.85Å; I8-I58 HydrophobicContact CD1-CG2 3.67Å; I8-F59 HydrophobicContact CD1-CD1 4.24Å; I8-F59 HydrophobicContact CD1-CE1 3.56Å; I8-F59 HydrophobicContact CD1-CZ 4.23Å; I8-F59 HydrophobicContact CG1-CE1 4.22Å; I8-V65 HydrophobicContact CD1-CG2 4.03Å; I8-V65 HydrophobicContact CG1-CB 3.91Å; I8-V65 HydrophobicContact CG1-CG2 3.63Å
9V88.4Confident79.2Confident84 Ų8472.9 Ų72.951%0.50942%0.424SS..  trans-136162.8169.2-65.30000110.3G11 T12V9-G11 PolarHBondContact O-N 2.86Å; V9-T12 VanDerWaalsContact CG2-OG1 3.3Å; V9-T12 WeakPolarHBondContact CG2-OG1 3.42Å; V9-T12 PolarHBondContact N-OG1 3.25Å; V9-T12 VanDerWaalsContact O-CB 3.28Å; V9-T12 WeakPolarHBondContact O-CB 3.34Å; V9-T12 PolarHBondContact O-N 3.15Å; V9-T12 PolarHBondContact O-OG1 3.47Å
10V87.9Confident79.1Confident85 Ų8573.9 Ų73.952%0.51543%0.427SS..THydrogen-bonded Turntrans-61.2127.6171.3174.80000109.4V28 M31V10-V28 WeakPolarHBondContact CA-O 3.27Å; V10-M31 HydrophobicContact CG2-CE 4.37Å; V10-M31 HydrophobicContact CG2-CG 4.14Å
11G85Confident79.1Confident37 Ų3772.2 Ų72.238%0.38143%0.426SS..THydrogen-bonded Turntrans98.4-12.1-171.200000114.9V9 V28V9-G11 PolarHBondContact O-N 2.86Å; G11-V28 PolarHBondContact N-O 3.34Å
12T89.8Confident81.4Confident32 Ų3269 Ų6920%0.19640%0.4CS..  trans-68.1138.2170.6-61.50000110.2V9 V14 V28 V65V9-T12 VanDerWaalsContact CG2-OG1 3.3Å; V9-T12 WeakPolarHBondContact CG2-OG1 3.42Å; V9-T12 PolarHBondContact N-OG1 3.25Å; V9-T12 VanDerWaalsContact O-CB 3.28Å; V9-T12 WeakPolarHBondContact O-CB 3.34Å; V9-T12 PolarHBondContact O-N 3.15Å; V9-T12 PolarHBondContact O-OG1 3.47Å; T12-V14 HydrophobicContact CG2-CG1 4.1Å; T12-V28 PolarHBondContact O-N 2.81Å; T12-V65 HydrophobicContact CG2-CG1 4.39Å
13Y91.9Very high83.7Confident140 Ų14068 Ų6855%0.54938%0.38SS..EExtended strand (participates in β ladder)trans-92.1132170.5-75-108.3000109.4Q25 A26 M27Y13-Q25 HydrophobicContact CD1-CB 4.49Å; Y13-A26 WeakPolarHBondContact CA-O 3.25Å; Y13-M27 HydrophobicContact CD1-CB 4.19Å; Y13-M27 HydrophobicContact CD2-CB 4.38Å; Y13-M27 HydrophobicContact CD2-CG 4.23Å; Y13-M27 HydrophobicContact CE1-CB 3.9Å; Y13-M27 HydrophobicContact CE2-CB 4.08Å; Y13-M27 HydrophobicContact CE2-CG 3.83Å; Y13-M27 HydrophobicContact CE2-SD 3.82Å; Y13-M27 HydrophobicContact CG-CB 4.42Å
14V93.1Very high85.3Confident1 Ų166.6 Ų66.61%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-132.4143.9-179.3-67.50000110.5T12 I16 Q25 A26 V28 V40 I58 N62 V65T12-V14 HydrophobicContact CG2-CG1 4.1Å; V14-I16 HydrophobicContact CG2-CG2 4.06Å; V14-Q25 CarbonylContact O-C 3.38Å; V14-Q25 WeakPolarHBondContact O-CA 3.23Å; V14-A26 PolarHBondContact N-O 2.82Å; V14-A26 PolarHBondContact O-N 3.41Å; V14-V28 HydrophobicContact CG1-CG2 4.38Å; V14-V28 HydrophobicContact CG2-CG2 3.93Å; V14-V40 HydrophobicContact CG2-CG1 3.83Å; V14-I58 HydrophobicContact CB-CG2 4.42Å; V14-I58 HydrophobicContact CG1-CG2 4.31Å; V14-I58 HydrophobicContact CG2-CD1 4.24Å; V14-N62 WeakPolarHBondContact CA-OD1 3.27Å; V14-V65 HydrophobicContact CG1-CG2 4.44Å
15E94.1Very high86.4Confident87 Ų8770 Ų7041%0.40737%0.369SS..EExtended strand (participates in β ladder)trans-73.6129.5172.6-67.1-160177.700111.3I23 H24 Q25 N62E15-I23 HydrophobicContact CB-CG2 3.88Å; E15-I23 HydrophobicContact CG-CG2 4.44Å; E15-I23 WeakPolarHBondContact OE2-CG2 3.49Å; E15-H24 WeakPolarHBondContact CA-O 3.38Å; E15-Q25 HydrophobicContact CG-CG 4.1Å; E15-N62 PolarHBondContact N-OD1 2.8Å; E15-N62 PolarHBondContact O-ND2 3.27Å
16I92.6Very high87.1Confident3 Ų369.5 Ų69.52%0.01537%0.367CS..EExtended strand (participates in β ladder)trans-131.8139.2-176.661.6149.8000111.9V14 I23 H24 A26 V40 W42 I53 I58V14-I16 HydrophobicContact CG2-CG2 4.06Å; I16-I23 WeakPolarHBondContact O-CA 3.47Å; I16-H24 VanDerWaalsContact CD1-CE1 3.48Å; I16-H24 WeakPolarHBondContact CD1-CE1 3.42Å; I16-H24 WeakPolarHBondContact CG1-O 3.39Å; I16-H24 PolarHBondContact N-O 3.41Å; I16-H24 PolarHBondContact O-N 3.06Å; I16-H24 PolarHBondContact O-ND1 3.08Å; I16-H24 VanDerWaalsContact O-ND1 3.17Å; I16-A26 HydrophobicContact CD1-CB 3.63Å; I16-A26 HydrophobicContact CG1-CB 3.78Å; I16-V40 HydrophobicContact CD1-CG2 3.93Å; I16-V40 HydrophobicContact CG2-CG2 4.27Å; I16-W42 HydrophobicContact CD1-CE3 3.78Å; I16-W42 HydrophobicContact CD1-CH2 4.33Å; I16-W42 HydrophobicContact CD1-CZ3 3.68Å; I16-I53 HydrophobicContact CB-CD1 3.77Å; I16-I53 HydrophobicContact CD1-CD1 4.09Å; I16-I53 HydrophobicContact CG2-CD1 3.61Å; I16-I58 HydrophobicContact CG2-CD1 3.71Å
17K88.6Confident87.7Confident115 Ų11571.3 Ų71.350%0.537%0.369SS..EExtended strand (participates in β ladder)trans-91.6127179.6-164.2168.2-173169.70112G21 R22 I23 L61K17-G21 WeakPolarHBondContact CE-O 3.1Å; K17-R22 WeakPolarHBondContact CA-O 3.4Å; K17-I23 HydrophobicContact CB-CG1 4.22Å; K17-I23 HydrophobicContact CD-CG1 4.4Å; K17-I23 HydrophobicContact CG-CG1 4.09Å; K17-L61 HydrophobicContact CB-CD1 3.91Å
18R82.1Confident88.3Confident65 Ų6567 Ų6725%0.24535%0.35CS..  trans-86.4164.7179.2-67.3178.366.4135.3-2.4111.8D20 G21 R22 H24 E44R18-D20 WeakPolarHBondContact CB-OD1 3.5Å; R18-D20 IonicContact NE-OD2 2.82Å; R18-D20 PolarHBondContact O-N 3.26Å; R18-G21 WeakPolarHBondContact O-CA 2.8Å; R18-G21 PolarHBondContact O-N 2.94Å; R18-R22 PolarHBondContact N-O 3.35Å; R18-H24 VanDerWaalsContact CD-CE1 3.47Å; R18-H24 WeakPolarHBondContact CD-CE1 3.48Å; R18-H24 WeakPolarHBondContact CG-CE1 3.3Å; R18-E44 IonicContact CZ-OE1 2.66Å; R18-E44 IonicContact CZ-OE2 3.77Å; R18-E44 IonicContact NH1-OE1 2.94Å; R18-E44 PolarHBondContact NH1-OE1 3.3Å; R18-E44 IonicContact NH1-OE2 3.2Å; R18-E44 PolarHBondContact NH1-OE2 3.4Å; R18-E44 VanDerWaalsContact NH1-OE2 3.13Å; R18-E44 VanDerWaalsContact NH2-CD 3.3Å; R18-E44 IonicContact NH2-OE1 3.22Å; R18-E44 PolarHBondContact NH2-OE1 2.96Å; R18-E44 IonicContact NH2-OE2 2.84Å; R18-E44 PolarHBondContact NH2-OE2 3.19Å
19S76.9Confident88.6Confident135 Ų13568.6 Ų68.694%0.94436%0.361SS*.THydrogen-bonded Turntrans-66.6-15.7179.9-51.10000114.7
20D78.1Confident88.6Confident91 Ų9166.9 Ų66.949%0.48735%0.352SS..THydrogen-bonded Turntrans-89.7-0.7171.359.67.8000112.8R18 R22R18-D20 WeakPolarHBondContact CB-OD1 3.5Å; R18-D20 IonicContact NE-OD2 2.82Å; R18-D20 PolarHBondContact O-N 3.26Å; D20-R22 WeakPolarHBondContact OD1-CB 3.13Å; D20-R22 PolarHBondContact OD1-N 3.01Å; D20-R22 WeakPolarHBondContact OD2-CD 3.4Å
21G78.7Confident88.8Confident39 Ų3966.4 Ų66.440%0.40235%0.346SS..SBendtrans91.4-9.5-179.100000115.3K17 R18K17-G21 WeakPolarHBondContact CE-O 3.1Å; R18-G21 WeakPolarHBondContact O-CA 2.8Å; R18-G21 PolarHBondContact O-N 2.94Å
22R82.9Confident88.8Confident175 Ų17566.8 Ų66.866%0.6634%0.339SS*.  trans-68.1142.6-179.6-64.9178.4172.9-175.9-6.4111.4K17 R18 D20K17-R22 WeakPolarHBondContact CA-O 3.4Å; R18-R22 PolarHBondContact N-O 3.35Å; D20-R22 WeakPolarHBondContact OD1-CB 3.13Å; D20-R22 PolarHBondContact OD1-N 3.01Å; D20-R22 WeakPolarHBondContact OD2-CD 3.4Å
23I90Very high88.5Confident82 Ų8272.7 Ų72.742%0.42136%0.364SS..EExtended strand (participates in β ladder)trans-106.1140.2172.2-60.9171.2000108.1E15 I16 K17 L61E15-I23 HydrophobicContact CB-CG2 3.88Å; E15-I23 HydrophobicContact CG-CG2 4.44Å; E15-I23 WeakPolarHBondContact OE2-CG2 3.49Å; I16-I23 WeakPolarHBondContact O-CA 3.47Å; K17-I23 HydrophobicContact CB-CG1 4.22Å; K17-I23 HydrophobicContact CD-CG1 4.4Å; K17-I23 HydrophobicContact CG-CG1 4.09Å; I23-L61 HydrophobicContact CD1-CD2 4.03Å
24H90.4Very high87.8Confident46 Ų4673.3 Ų73.321%0.21338%0.377CS..EExtended strand (participates in β ladder)trans-160.2159.6177.767.1-34.6000110.4E15 I16 R18 W42E15-H24 WeakPolarHBondContact CA-O 3.38Å; I16-H24 VanDerWaalsContact CD1-CE1 3.48Å; I16-H24 WeakPolarHBondContact CD1-CE1 3.42Å; I16-H24 WeakPolarHBondContact CG1-O 3.39Å; I16-H24 PolarHBondContact N-O 3.41Å; I16-H24 PolarHBondContact O-N 3.06Å; I16-H24 PolarHBondContact O-ND1 3.08Å; I16-H24 VanDerWaalsContact O-ND1 3.17Å; R18-H24 VanDerWaalsContact CD-CE1 3.47Å; R18-H24 WeakPolarHBondContact CD-CE1 3.48Å; R18-H24 WeakPolarHBondContact CG-CE1 3.3Å; H24-W42 AromaticContact CD2-CD1 3.95Å; H24-W42 AromaticContact NE2-CD1 3.42Å; H24-W42 AromaticContact NE2-CD2 3.51Å; H24-W42 AromaticContact NE2-CE2 3.47Å; H24-W42 AromaticContact NE2-CG 3.48Å; H24-W42 AromaticContact NE2-NE1 3.42Å; H24-W42 PolarHBondContact NE2-NE1 3.3Å
25Q92.8Very high87.2Confident118 Ų11878.4 Ų78.455%0.55140%0.404SS*.EExtended strand (participates in β ladder)trans-74.8141.5174.3-72.8-174.5-800112.6Y13 V14 E15Y13-Q25 HydrophobicContact CD1-CB 4.49Å; V14-Q25 CarbonylContact O-C 3.38Å; V14-Q25 WeakPolarHBondContact O-CA 3.23Å; E15-Q25 HydrophobicContact CG-CG 4.1Å
26A94.1Very high87Confident1 Ų180.8 Ų80.81%0.00842%0.415CS..EExtended strand (participates in β ladder)trans-135.8150.2166.500000109.9Y13 V14 I16 V40 E41 W42Y13-A26 WeakPolarHBondContact CA-O 3.25Å; V14-A26 PolarHBondContact N-O 2.82Å; V14-A26 PolarHBondContact O-N 3.41Å; I16-A26 HydrophobicContact CD1-CB 3.63Å; I16-A26 HydrophobicContact CG1-CB 3.78Å; A26-V40 HydrophobicContact CB-CB 3.82Å; A26-V40 HydrophobicContact CB-CG2 4.15Å; A26-E41 CarbonylContact C-O 3.59Å; A26-E41 WeakPolarHBondContact CA-O 3.44Å; A26-W42 HydrophobicContact CB-CB 4.05Å; A26-W42 HydrophobicContact CB-CE3 3.92Å
27M94.8Very high86.9Confident63 Ų6381 Ų8131%0.3142%0.417SS..EExtended strand (participates in β ladder)trans-90130.2-179.5-175.5177.763.800110.4Y13 T29 V40 E41Y13-M27 HydrophobicContact CD1-CB 4.19Å; Y13-M27 HydrophobicContact CD2-CB 4.38Å; Y13-M27 HydrophobicContact CD2-CG 4.23Å; Y13-M27 HydrophobicContact CE1-CB 3.9Å; Y13-M27 HydrophobicContact CE2-CB 4.08Å; Y13-M27 HydrophobicContact CE2-CG 3.83Å; Y13-M27 HydrophobicContact CE2-SD 3.82Å; Y13-M27 HydrophobicContact CG-CB 4.42Å; M27-T29 HydrophobicContact CE-CG2 4.15Å; M27-T29 PolarHBondContact O-N 2.7Å; M27-V40 CarbonylContact O-C 3.58Å; M27-V40 VanDerWaalsContact O-CA 3.27Å; M27-V40 WeakPolarHBondContact O-CA 3.38Å; M27-E41 PolarHBondContact N-O 2.78Å; M27-E41 PolarHBondContact O-N 2.9Å
28V94.7Very high87.1Confident1 Ų175.5 Ų75.51%0.00639%0.393CS..EExtended strand (participates in β ladder)trans-67.2118.2174.31780000109.7I8 V10 G11 T12 V14 M31 V38 T39 V40I8-V28 HydrophobicContact CG2-CB 4.48Å; I8-V28 HydrophobicContact CG2-CG1 4.26Å; I8-V28 HydrophobicContact CG2-CG2 3.86Å; V10-V28 WeakPolarHBondContact CA-O 3.27Å; G11-V28 PolarHBondContact N-O 3.34Å; T12-V28 PolarHBondContact O-N 2.81Å; V14-V28 HydrophobicContact CG1-CG2 4.38Å; V14-V28 HydrophobicContact CG2-CG2 3.93Å; V28-M31 HydrophobicContact CG1-CG 3.98Å; V28-V38 HydrophobicContact CG1-CB 4.27Å; V28-V38 HydrophobicContact CG1-CG1 4.47Å; V28-T39 CarbonylContact C-O 3.57Å; V28-T39 WeakPolarHBondContact CA-O 3.46Å; V28-V40 HydrophobicContact CB-CG1 4.46Å; V28-V40 HydrophobicContact CG2-CG1 3.82Å
29T93Very high87.6Confident40 Ų4074.1 Ų74.125%0.24539%0.392CS..EExtended strand (participates in β ladder)trans-104.6-23.6179.558.60000113.5M27 T39 E41M27-T29 HydrophobicContact CE-CG2 4.15Å; M27-T29 PolarHBondContact O-N 2.7Å; T29-T39 PolarHBondContact N-O 3.39Å; T29-E41 HydrophobicContact CG2-CB 3.82Å; T29-E41 HydrophobicContact CG2-CG 3.85Å; T29-E41 PolarHBondContact OG1-OE1 2.78Å
30S89.8Confident88.4Confident48 Ų4867.7 Ų67.734%0.33635%0.347SS..EExtended strand (participates in β ladder)trans-152.6159.8168.773.20000112.4T39S30-T39 PolarHBondContact N-O 2.75Å; S30-T39 PolarHBondContact O-N 3.14Å; S30-T39 VanDerWaalsContact OG-CB 3.22Å; S30-T39 WeakPolarHBondContact OG-CB 3.13Å; S30-T39 PolarHBondContact OG-OG1 2.85Å; S30-T39 VanDerWaalsContact OG-OG1 3.05Å
31M90.6Very high89.2Confident76 Ų7667 Ų6737%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-125.8138.8178.3-56.8-173-6200108.2F5 I8 V10 V28 V38F5-M31 HydrophobicContact CD1-CB 3.98Å; F5-M31 HydrophobicContact CD1-CG 4.2Å; F5-M31 HydrophobicContact CD1-SD 4.01Å; F5-M31 HydrophobicContact CE1-CB 3.75Å; F5-M31 HydrophobicContact CE1-CG 4.4Å; F5-M31 HydrophobicContact CG-SD 4.37Å; F5-M31 HydrophobicContact CZ-CB 4.35Å; I8-M31 HydrophobicContact CG2-SD 4.24Å; V10-M31 HydrophobicContact CG2-CE 4.37Å; V10-M31 HydrophobicContact CG2-CG 4.14Å; V28-M31 HydrophobicContact CG1-CG 3.98Å; M31-V38 HydrophobicContact CG-CG1 4.13Å
32N86.6Confident89.9Confident45 Ų4566.8 Ų66.824%0.24133%0.328CS..EExtended strand (participates in β ladder)trans-126.395.2-169.7-179.49.5000110.5D34 N35 E36 S37 E52N32-D34 VanDerWaalsContact C-N 3.28Å; N32-D34 PolarHBondContact O-N 3.08Å; N32-N35 PolarHBondContact ND2-ND2 2.98Å; N32-N35 VanDerWaalsContact ND2-ND2 3.15Å; N32-N35 PolarHBondContact O-N 2.82Å; N32-E36 PolarHBondContact O-N 3.39Å; N32-S37 WeakPolarHBondContact CB-OG 3.49Å; N32-S37 PolarHBondContact N-O 2.8Å; N32-S37 PolarHBondContact ND2-OG 3.12Å; N32-S37 PolarHBondContact O-N 3Å; N32-E52 PolarHBondContact ND2-OE1 3.35Å
33E83Confident90.1Very high155 Ų15564.8 Ų64.872%0.72433%0.329SS*.THydrogen-bonded Turntrans-65.4-27.4-173.8-55-167.4152.200113.4F5 N35F5-E33 HydrophobicContact CE2-CB 4.36Å; F5-E33 HydrophobicContact CE2-CG 3.89Å; F5-E33 HydrophobicContact CZ-CG 4.36Å; E33-N35 VanDerWaalsContact C-N 3.35Å; E33-N35 PolarHBondContact O-N 3.33Å
34D77.1Confident89.9Confident154 Ų15463.3 Ų63.382%0.82432%0.32SS*.THydrogen-bonded Turntrans-73.2-24.2-178.2-72.1-36000113.5N32N32-D34 VanDerWaalsContact C-N 3.28Å; N32-D34 PolarHBondContact O-N 3.08Å
35N81.4Confident89.3Confident108 Ų10868.9 Ų68.958%0.57835%0.352SS*.THydrogen-bonded Turntrans-120.33.3-173.8-70.7-15.6000113.9N32 E33 S37N32-N35 PolarHBondContact ND2-ND2 2.98Å; N32-N35 VanDerWaalsContact ND2-ND2 3.15Å; N32-N35 PolarHBondContact O-N 2.82Å; E33-N35 VanDerWaalsContact C-N 3.35Å; E33-N35 PolarHBondContact O-N 3.33Å; N35-S37 VanDerWaalsContact C-N 3.27Å; N35-S37 PolarHBondContact O-N 3.35Å
36E87.9Confident88.5Confident137 Ų13766.6 Ų66.664%0.6436%0.36SS*.THydrogen-bonded Turntrans5144.5-174-60.9-172.4142.500113N32 L55N32-E36 PolarHBondContact O-N 3.39Å; E36-L55 HydrophobicContact CB-CD1 4.24Å; E36-L55 WeakPolarHBondContact O-CB 3.47Å; E36-L55 VanDerWaalsContact O-CG 3.31Å; E36-L55 WeakPolarHBondContact O-CG 3.41Å; E36-L55 PolarHBondContact O-N 2.9Å
37S91.1Very high87.1Confident7 Ų770.9 Ų70.95%0.04938%0.383CS..EExtended strand (participates in β ladder)trans-130.6157.6-174.364.60000113.6F5 N32 N35 E52 I53F5-S37 WeakPolarHBondContact CE1-O 3.19Å; N32-S37 WeakPolarHBondContact CB-OG 3.49Å; N32-S37 PolarHBondContact N-O 2.8Å; N32-S37 PolarHBondContact ND2-OG 3.12Å; N32-S37 PolarHBondContact O-N 3Å; N35-S37 VanDerWaalsContact C-N 3.27Å; N35-S37 PolarHBondContact O-N 3.35Å; S37-E52 PolarHBondContact OG-OE1 3.34Å; S37-I53 CarbonylContact C-O 3.56Å; S37-I53 VanDerWaalsContact CA-O 3.3Å; S37-I53 WeakPolarHBondContact CA-O 3.32Å; S37-I53 WeakPolarHBondContact CB-O 3.27Å
38V92.1Very high86.8Confident0 Ų072.3 Ų72.30%040%0.395CS..EExtended strand (participates in β ladder)trans-123.4141.5172.5-63.80000110.6F5 I8 V28 M31 V40 E52 I53 L55 I58F5-V38 HydrophobicContact CD1-CG1 3.84Å; F5-V38 HydrophobicContact CE1-CG1 3.82Å; I8-V38 HydrophobicContact CG2-CG1 4.45Å; V28-V38 HydrophobicContact CG1-CB 4.27Å; V28-V38 HydrophobicContact CG1-CG1 4.47Å; M31-V38 HydrophobicContact CG-CG1 4.13Å; V38-V40 HydrophobicContact CG2-CG1 4.24Å; V38-E52 WeakPolarHBondContact O-CA 3.18Å; V38-I53 PolarHBondContact N-O 3.17Å; V38-I53 PolarHBondContact O-N 2.85Å; V38-L55 HydrophobicContact CG1-CD2 3.97Å; V38-I58 HydrophobicContact CG2-CD1 4.2Å; V38-I58 HydrophobicContact CG2-CG1 3.77Å
39T93.2Very high86.4Confident36 Ų3675.6 Ų75.622%0.22141%0.409CS..EExtended strand (participates in β ladder)trans-92.6129.9167.2-530000108.7V28 T29 S30 K51V28-T39 CarbonylContact C-O 3.57Å; V28-T39 WeakPolarHBondContact CA-O 3.46Å; T29-T39 PolarHBondContact N-O 3.39Å; S30-T39 PolarHBondContact N-O 2.75Å; S30-T39 PolarHBondContact O-N 3.14Å; S30-T39 VanDerWaalsContact OG-CB 3.22Å; S30-T39 WeakPolarHBondContact OG-CB 3.13Å; S30-T39 PolarHBondContact OG-OG1 2.85Å; S30-T39 VanDerWaalsContact OG-OG1 3.05Å; T39-K51 WeakPolarHBondContact CA-O 3.48Å
40V94.4Very high86.3Confident0 Ų076.1 Ų76.10%042%0.423CS..EExtended strand (participates in β ladder)trans-123.4144.7179.5-68.80000110.7V14 I16 A26 M27 V28 V38 G50 K51 I53V14-V40 HydrophobicContact CG2-CG1 3.83Å; I16-V40 HydrophobicContact CD1-CG2 3.93Å; I16-V40 HydrophobicContact CG2-CG2 4.27Å; A26-V40 HydrophobicContact CB-CB 3.82Å; A26-V40 HydrophobicContact CB-CG2 4.15Å; M27-V40 CarbonylContact O-C 3.58Å; M27-V40 VanDerWaalsContact O-CA 3.27Å; M27-V40 WeakPolarHBondContact O-CA 3.38Å; V28-V40 HydrophobicContact CB-CG1 4.46Å; V28-V40 HydrophobicContact CG2-CG1 3.82Å; V38-V40 HydrophobicContact CG2-CG1 4.24Å; V40-G50 CarbonylContact O-C 3.59Å; V40-G50 WeakPolarHBondContact O-CA 3.45Å; V40-K51 WeakPolarHBondContact CG2-O 3.38Å; V40-K51 PolarHBondContact N-O 3.34Å; V40-K51 PolarHBondContact O-N 3.44Å; V40-I53 HydrophobicContact CG2-CD1 3.68Å; V40-I53 HydrophobicContact CG2-CG1 4.14Å
41E94.9Very high86.3Confident75 Ų7577.9 Ų77.935%0.3542%0.424SS..EExtended strand (participates in β ladder)trans-126.2145.6177.9-72.7173.8-143.900112.4A26 M27 T29 T48 K49A26-E41 CarbonylContact C-O 3.59Å; A26-E41 WeakPolarHBondContact CA-O 3.44Å; M27-E41 PolarHBondContact N-O 2.78Å; M27-E41 PolarHBondContact O-N 2.9Å; T29-E41 HydrophobicContact CG2-CB 3.82Å; T29-E41 HydrophobicContact CG2-CG 3.85Å; T29-E41 PolarHBondContact OG1-OE1 2.78Å; E41-T48 HydrophobicContact CB-CG2 4.1Å; E41-T48 HydrophobicContact CG-CG2 4.26Å; E41-T48 WeakPolarHBondContact OE2-CG2 3.26Å; E41-K49 CarbonylContact C-O 3.57Å; E41-K49 WeakPolarHBondContact CA-O 3.44Å
42W92.8Very high86.4Confident35 Ų3579 Ų7913%0.13343%0.428CS..EExtended strand (participates in β ladder)trans-142.4162.7175.366.595.3000110.2I16 H24 A26 K49 K51I16-W42 HydrophobicContact CD1-CE3 3.78Å; I16-W42 HydrophobicContact CD1-CH2 4.33Å; I16-W42 HydrophobicContact CD1-CZ3 3.68Å; H24-W42 AromaticContact CD2-CD1 3.95Å; H24-W42 AromaticContact NE2-CD1 3.42Å; H24-W42 AromaticContact NE2-CD2 3.51Å; H24-W42 AromaticContact NE2-CE2 3.47Å; H24-W42 AromaticContact NE2-CG 3.48Å; H24-W42 AromaticContact NE2-NE1 3.42Å; H24-W42 PolarHBondContact NE2-NE1 3.3Å; A26-W42 HydrophobicContact CB-CB 4.05Å; A26-W42 HydrophobicContact CB-CE3 3.92Å; W42-K49 HydrophobicContact CD2-CB 4.02Å; W42-K49 HydrophobicContact CG-CB 4.48Å; W42-K49 HydrophobicContact CH2-CB 4.24Å; W42-K49 HydrophobicContact CZ2-CB 3.66Å; W42-K49 HydrophobicContact CZ2-CG 4.45Å; W42-K49 PolarHBondContact N-O 2.72Å; W42-K49 PolarHBondContact O-N 3.32Å; W42-K51 HydrophobicContact CH2-CB 3.91Å; W42-K51 HydrophobicContact CZ3-CB 3.8Å
43I86.9Confident86.6Confident133 Ų13377.2 Ų77.268%0.68242%0.419SS*.EExtended strand (participates in β ladder)trans-98.8129.9175.4-58.8176000108.7
44E85.4Confident87Confident52 Ų5273.3 Ų73.324%0.24340%0.403CS..EExtended strand (participates in β ladder)trans-138.1121.1176.2175.8167.3-135.600109.5R18 G46 D47 K49R18-E44 IonicContact CZ-OE1 2.66Å; R18-E44 IonicContact CZ-OE2 3.77Å; R18-E44 IonicContact NH1-OE1 2.94Å; R18-E44 PolarHBondContact NH1-OE1 3.3Å; R18-E44 IonicContact NH1-OE2 3.2Å; R18-E44 PolarHBondContact NH1-OE2 3.4Å; R18-E44 VanDerWaalsContact NH1-OE2 3.13Å; R18-E44 VanDerWaalsContact NH2-CD 3.3Å; R18-E44 IonicContact NH2-OE1 3.22Å; R18-E44 PolarHBondContact NH2-OE1 2.96Å; R18-E44 IonicContact NH2-OE2 2.84Å; R18-E44 PolarHBondContact NH2-OE2 3.19Å; E44-G46 PolarHBondContact O-N 3.04Å; E44-D47 PolarHBondContact N-O 2.94Å; E44-D47 PolarHBondContact O-N 3.15Å; E44-K49 HydrophobicContact CB-CG 3.95Å
45N78.1Confident87.6Confident162 Ų16266.4 Ų66.487%0.86637%0.366SS*.THydrogen-bonded Turntrans53.432.5-178.6-54.9-19.7000113.9D47N45-D47 VanDerWaalsContact C-N 3.3Å; N45-D47 PolarHBondContact O-N 3.07Å
46G76.1Confident87.9Confident70 Ų7069.1 Ų69.172%0.72238%0.375SS*.THydrogen-bonded Turntrans84.6-10.2-17800000115.4E44E44-G46 PolarHBondContact O-N 3.04Å
47D66.3Low87.8Confident92 Ų9265.1 Ų65.149%0.49236%0.362SS..EExtended strand (participates in β ladder)trans-90.1137.8172.4-81.2-25.6000110.8E44 N45 K49E44-D47 PolarHBondContact N-O 2.94Å; E44-D47 PolarHBondContact O-N 3.15Å; N45-D47 VanDerWaalsContact C-N 3.3Å; N45-D47 PolarHBondContact O-N 3.07Å; D47-K49 HydrophobicContact CB-CD 4.25Å; D47-K49 VanDerWaalsContact CB-CE 3.41Å; D47-K49 VanDerWaalsContact CG-NZ 3.31Å; D47-K49 PolarHBondContact O-N 3.2Å; D47-K49 IonicContact OD2-NZ 2.74Å; D47-K49 PolarHBondContact OD2-NZ 3.41Å
48T88.3Confident87.8Confident93 Ų9364.8 Ų64.857%0.57136%0.36SS*.EExtended strand (participates in β ladder)trans-69.9128.8160.6-490000109.9E41E41-T48 HydrophobicContact CB-CG2 4.1Å; E41-T48 HydrophobicContact CG-CG2 4.26Å; E41-T48 WeakPolarHBondContact OE2-CG2 3.26Å
49K85.8Confident87.8Confident70 Ų7066.8 Ų66.830%0.30437%0.369SS..EExtended strand (participates in β ladder)trans-114.6149.9170.7-51.1-58174.5-168.70108.5E41 W42 E44 D47E41-K49 CarbonylContact C-O 3.57Å; E41-K49 WeakPolarHBondContact CA-O 3.44Å; W42-K49 HydrophobicContact CD2-CB 4.02Å; W42-K49 HydrophobicContact CG-CB 4.48Å; W42-K49 HydrophobicContact CH2-CB 4.24Å; W42-K49 HydrophobicContact CZ2-CB 3.66Å; W42-K49 HydrophobicContact CZ2-CG 4.45Å; W42-K49 PolarHBondContact N-O 2.72Å; W42-K49 PolarHBondContact O-N 3.32Å; E44-K49 HydrophobicContact CB-CG 3.95Å; D47-K49 HydrophobicContact CB-CD 4.25Å; D47-K49 VanDerWaalsContact CB-CE 3.41Å; D47-K49 VanDerWaalsContact CG-NZ 3.31Å; D47-K49 PolarHBondContact O-N 3.2Å; D47-K49 IonicContact OD2-NZ 2.74Å; D47-K49 PolarHBondContact OD2-NZ 3.41Å
50G90.6Very high87.5Confident51 Ų5169.1 Ų69.153%0.52639%0.392SS..EExtended strand (participates in β ladder)trans-142.3153.517700000112.8V40V40-G50 CarbonylContact O-C 3.59Å; V40-G50 WeakPolarHBondContact O-CA 3.45Å
51K90.5Very high87.2Confident85 Ų8571.6 Ų71.637%0.3741%0.405SS..EExtended strand (participates in β ladder)trans-148.7141.6-179.5-174.7-171.8167.8-149.70110.3T39 V40 W42 I53T39-K51 WeakPolarHBondContact CA-O 3.48Å; V40-K51 WeakPolarHBondContact CG2-O 3.38Å; V40-K51 PolarHBondContact N-O 3.34Å; V40-K51 PolarHBondContact O-N 3.44Å; W42-K51 HydrophobicContact CH2-CB 3.91Å; W42-K51 HydrophobicContact CZ3-CB 3.8Å; K51-I53 HydrophobicContact CB-CG1 4.48Å; K51-I53 HydrophobicContact CD-CD1 3.97Å; K51-I53 HydrophobicContact CD-CG1 3.83Å; K51-I53 HydrophobicContact CG-CD1 4.48Å; K51-I53 HydrophobicContact CG-CG1 3.98Å
52E92.5Very high87Confident99 Ų9968.6 Ų68.646%0.46339%0.391SS..EExtended strand (participates in β ladder)trans-87.1134165.6-171175.7-171.400109.7N32 S37 V38N32-E52 PolarHBondContact ND2-OE1 3.35Å; S37-E52 PolarHBondContact OG-OE1 3.34Å; V38-E52 WeakPolarHBondContact O-CA 3.18Å
53I90.6Very high86.6Confident7 Ų771.8 Ų71.84%0.03642%0.416CS..EExtended strand (participates in β ladder)trans-136.9138.4-176.4-49.7-176.9000109I16 S37 V38 V40 K51 I58I16-I53 HydrophobicContact CB-CD1 3.77Å; I16-I53 HydrophobicContact CD1-CD1 4.09Å; I16-I53 HydrophobicContact CG2-CD1 3.61Å; S37-I53 CarbonylContact C-O 3.56Å; S37-I53 VanDerWaalsContact CA-O 3.3Å; S37-I53 WeakPolarHBondContact CA-O 3.32Å; S37-I53 WeakPolarHBondContact CB-O 3.27Å; V38-I53 PolarHBondContact N-O 3.17Å; V38-I53 PolarHBondContact O-N 2.85Å; V40-I53 HydrophobicContact CG2-CD1 3.68Å; V40-I53 HydrophobicContact CG2-CG1 4.14Å; K51-I53 HydrophobicContact CB-CG1 4.48Å; K51-I53 HydrophobicContact CD-CD1 3.97Å; K51-I53 HydrophobicContact CD-CG1 3.83Å; K51-I53 HydrophobicContact CG-CD1 4.48Å; K51-I53 HydrophobicContact CG-CG1 3.98Å; I53-I58 HydrophobicContact CB-CD1 4.02Å; I53-I58 HydrophobicContact CB-CG1 4.26Å; I53-I58 HydrophobicContact CD1-CD1 4.16Å; I53-I58 HydrophobicContact CG2-CD1 3.78Å; I53-I58 HydrophobicContact CG2-CG1 3.94Å
54D91.4Very high86.3Confident73 Ų7370.7 Ų70.739%0.3941%0.412SS..EExtended strand (participates in β ladder)trans-64.5144.3173.352.9105.1000112.6E56 S57 I58D54-E56 VanDerWaalsContact C-N 3.29Å; D54-E56 PolarHBondContact O-N 3.09Å; D54-S57 VanDerWaalsContact CG-OG 3.31Å; D54-S57 PolarHBondContact O-N 3.45Å; D54-S57 WeakPolarHBondContact OD1-CB 3.44Å; D54-S57 PolarHBondContact OD1-N 3.16Å; D54-S57 PolarHBondContact OD1-OG 2.89Å; D54-S57 PolarHBondContact OD2-OG 3.15Å; D54-I58 WeakPolarHBondContact O-CG1 3.35Å; D54-I58 PolarHBondContact O-N 3.32Å
55L89.3Confident86.2Confident10 Ų1068.9 Ų68.95%0.05240%0.404CS..Hα-helixtrans-60.9-34.4-179.7-79.5173.6000113.2F5 I8 E36 V38 I58 F59F5-L55 HydrophobicContact CD1-CD1 3.85Å; F5-L55 HydrophobicContact CD1-CD2 3.78Å; F5-L55 HydrophobicContact CD1-CG 4.27Å; F5-L55 HydrophobicContact CD2-CD1 4.4Å; F5-L55 HydrophobicContact CE1-CD1 3.8Å; F5-L55 HydrophobicContact CE1-CD2 4.15Å; F5-L55 HydrophobicContact CE1-CG 4.21Å; F5-L55 HydrophobicContact CE2-CD1 4.35Å; F5-L55 HydrophobicContact CG-CD1 4.13Å; F5-L55 HydrophobicContact CG-CD2 4.48Å; F5-L55 HydrophobicContact CZ-CD1 4.04Å; I8-L55 HydrophobicContact CD1-CD2 3.85Å; E36-L55 HydrophobicContact CB-CD1 4.24Å; E36-L55 WeakPolarHBondContact O-CB 3.47Å; E36-L55 VanDerWaalsContact O-CG 3.31Å; E36-L55 WeakPolarHBondContact O-CG 3.41Å; E36-L55 PolarHBondContact O-N 2.9Å; V38-L55 HydrophobicContact CG1-CD2 3.97Å; L55-I58 PolarHBondContact O-N 3.5Å; L55-I58 VanDerWaalsContact O-N 3.16Å; L55-F59 HydrophobicContact CB-CD2 4.33Å; L55-F59 HydrophobicContact CB-CE2 3.91Å; L55-F59 HydrophobicContact CB-CZ 4.45Å; L55-F59 HydrophobicContact CD2-CE1 4.48Å; L55-F59 HydrophobicContact CD2-CE2 4.25Å; L55-F59 HydrophobicContact CD2-CZ 3.93Å; L55-F59 HydrophobicContact CG-CE2 4.49Å; L55-F59 VanDerWaalsContact O-CD2 3.22Å; L55-F59 WeakPolarHBondContact O-CD2 3.46Å; L55-F59 WeakPolarHBondContact O-CG 3.16Å; L55-F59 PolarHBondContact O-N 3.33Å
56E87.4Confident86.4Confident164 Ų16462.1 Ų62.177%0.76637%0.371SS*.Hα-helixtrans-60-49.1177.4-169.5178.3-174.700111.4D54 I58 F59 A60D54-E56 VanDerWaalsContact C-N 3.29Å; D54-E56 PolarHBondContact O-N 3.09Å; E56-I58 VanDerWaalsContact C-N 3.29Å; E56-I58 PolarHBondContact O-N 3.19Å; E56-F59 PolarHBondContact O-N 3.4Å; E56-A60 VanDerWaalsContact O-CB 3.24Å; E56-A60 WeakPolarHBondContact O-CB 3.22Å; E56-A60 PolarHBondContact O-N 2.97Å
57S87.3Confident86.5Confident53 Ų5362.2 Ų62.237%0.37136%0.359SS..Hα-helixtrans-64.1-29.2174.3-66.10000113.7D54D54-S57 VanDerWaalsContact CG-OG 3.31Å; D54-S57 PolarHBondContact O-N 3.45Å; D54-S57 WeakPolarHBondContact OD1-CB 3.44Å; D54-S57 PolarHBondContact OD1-N 3.16Å; D54-S57 PolarHBondContact OD1-OG 2.89Å; D54-S57 PolarHBondContact OD2-OG 3.15Å
58I89.9Confident86.5Confident1 Ų164 Ų641%0.00537%0.368CS..Hα-helixtrans-72.2-50.7175-64.4-64.1000110.6I8 V14 I16 V38 I53 D54 L55 E56 A60 L61 N62I8-I58 HydrophobicContact CD1-CG2 3.67Å; V14-I58 HydrophobicContact CB-CG2 4.42Å; V14-I58 HydrophobicContact CG1-CG2 4.31Å; V14-I58 HydrophobicContact CG2-CD1 4.24Å; I16-I58 HydrophobicContact CG2-CD1 3.71Å; V38-I58 HydrophobicContact CG2-CD1 4.2Å; V38-I58 HydrophobicContact CG2-CG1 3.77Å; I53-I58 HydrophobicContact CB-CD1 4.02Å; I53-I58 HydrophobicContact CB-CG1 4.26Å; I53-I58 HydrophobicContact CD1-CD1 4.16Å; I53-I58 HydrophobicContact CG2-CD1 3.78Å; I53-I58 HydrophobicContact CG2-CG1 3.94Å; D54-I58 WeakPolarHBondContact O-CG1 3.35Å; D54-I58 PolarHBondContact O-N 3.32Å; L55-I58 PolarHBondContact O-N 3.5Å; L55-I58 VanDerWaalsContact O-N 3.16Å; E56-I58 VanDerWaalsContact C-N 3.29Å; E56-I58 PolarHBondContact O-N 3.19Å; I58-A60 VanDerWaalsContact C-N 3.3Å; I58-A60 PolarHBondContact O-N 3.48Å; I58-L61 CarbonylContact O-C 3.41Å; I58-L61 PolarHBondContact O-N 3.26Å; I58-L61 VanDerWaalsContact O-N 3.09Å; I58-N62 WeakPolarHBondContact O-CB 3.19Å; I58-N62 PolarHBondContact O-N 2.8Å; I58-N62 PolarHBondContact O-ND2 3.35Å
59F91.3Very high85.1Confident42 Ų4268.3 Ų68.318%0.18438%0.382CS..Hα-helixtrans-65-33179.5-61.3-40.6000112.6G4 I8 L55 E56 L61 N62 V65 A66G4-F59 WeakPolarHBondContact O-CE2 3.4Å; G4-F59 WeakPolarHBondContact O-CZ 3.49Å; I8-F59 HydrophobicContact CD1-CD1 4.24Å; I8-F59 HydrophobicContact CD1-CE1 3.56Å; I8-F59 HydrophobicContact CD1-CZ 4.23Å; I8-F59 HydrophobicContact CG1-CE1 4.22Å; L55-F59 HydrophobicContact CB-CD2 4.33Å; L55-F59 HydrophobicContact CB-CE2 3.91Å; L55-F59 HydrophobicContact CB-CZ 4.45Å; L55-F59 HydrophobicContact CD2-CE1 4.48Å; L55-F59 HydrophobicContact CD2-CE2 4.25Å; L55-F59 HydrophobicContact CD2-CZ 3.93Å; L55-F59 HydrophobicContact CG-CE2 4.49Å; L55-F59 VanDerWaalsContact O-CD2 3.22Å; L55-F59 WeakPolarHBondContact O-CD2 3.46Å; L55-F59 WeakPolarHBondContact O-CG 3.16Å; L55-F59 PolarHBondContact O-N 3.33Å; E56-F59 PolarHBondContact O-N 3.4Å; F59-L61 PolarHBondContact O-N 3.19Å; F59-N62 CarbonylContact O-C 3.56Å; F59-N62 PolarHBondContact O-N 3.34Å; F59-V65 HydrophobicContact CD1-CG2 4.41Å; F59-A66 HydrophobicContact CB-CB 4.25Å; F59-A66 HydrophobicContact CD1-CB 3.92Å; F59-A66 HydrophobicContact CG-CB 4.19Å
60A87.4Confident82.9Confident85 Ų8574.3 Ų74.370%0.70241%0.411SS*.THydrogen-bonded Turntrans-65.7-18.9174.100000114.1E56 I58E56-A60 VanDerWaalsContact O-CB 3.24Å; E56-A60 WeakPolarHBondContact O-CB 3.22Å; E56-A60 PolarHBondContact O-N 2.97Å; I58-A60 VanDerWaalsContact C-N 3.3Å; I58-A60 PolarHBondContact O-N 3.48Å
61L89.4Confident80.6Confident52 Ų5279.7 Ų79.727%0.27243%0.426SS..THydrogen-bonded Turntrans-103.5-26.2173.2-69.2170.3000112.7K17 I23 I58 F59 P63K17-L61 HydrophobicContact CB-CD1 3.91Å; I23-L61 HydrophobicContact CD1-CD2 4.03Å; I58-L61 CarbonylContact O-C 3.41Å; I58-L61 PolarHBondContact O-N 3.26Å; I58-L61 VanDerWaalsContact O-N 3.09Å; F59-L61 PolarHBondContact O-N 3.19Å; L61-P63 WeakPolarHBondContact O-CD 3.42Å
62N90.6Very high78Confident11 Ų1179.6 Ų79.66%0.05944%0.441CS..  trans-128.473.3-173-53.2-98.2000109.8V14 E15 I58 F59 D64 V65V14-N62 WeakPolarHBondContact CA-OD1 3.27Å; E15-N62 PolarHBondContact N-OD1 2.8Å; E15-N62 PolarHBondContact O-ND2 3.27Å; I58-N62 WeakPolarHBondContact O-CB 3.19Å; I58-N62 PolarHBondContact O-N 2.8Å; I58-N62 PolarHBondContact O-ND2 3.35Å; F59-N62 CarbonylContact O-C 3.56Å; F59-N62 PolarHBondContact O-N 3.34Å; N62-D64 PolarHBondContact O-N 3.49Å; N62-V65 HydrophobicContact CB-CG2 3.62Å; N62-V65 WeakPolarHBondContact O-CG2 3.48Å; N62-V65 PolarHBondContact O-N 3.46Å
63P83.8Confident75.4Confident102 Ų10280.7 Ų80.766%0.66246%0.457SS*.THydrogen-bonded Turntrans-71.4-10.1-176.730.1-36.5000113.4L61L61-P63 WeakPolarHBondContact O-CD 3.42Å
64D81Confident73Confident111 Ų11186 Ų8659%0.59450%0.495SS*.THydrogen-bonded Turntrans-78.2-34.8176.564.2-46.5000112.9K7 N62K7-D64 WeakPolarHBondContact CD-O 3.5Å; K7-D64 PolarHBondContact NZ-O 3.4Å; N62-D64 PolarHBondContact O-N 3.49Å
65V83.4Confident70.7Confident14 Ų1488.5 Ų88.59%0.08552%0.515CS..THydrogen-bonded Turntrans-88.9-4.5175.3-55.30000113.7K7 I8 T12 V14 F59 N62K7-V65 HydrophobicContact CB-CB 4.43Å; K7-V65 PolarHBondContact N-O 2.92Å; I8-V65 HydrophobicContact CD1-CG2 4.03Å; I8-V65 HydrophobicContact CG1-CB 3.91Å; I8-V65 HydrophobicContact CG1-CG2 3.63Å; T12-V65 HydrophobicContact CG2-CG1 4.39Å; V14-V65 HydrophobicContact CG1-CG2 4.44Å; F59-V65 HydrophobicContact CD1-CG2 4.41Å; N62-V65 HydrophobicContact CB-CG2 3.62Å; N62-V65 WeakPolarHBondContact O-CG2 3.48Å; N62-V65 PolarHBondContact O-N 3.46Å
66A80.8Confident68Low20 Ų2097.1 Ų97.117%0.16556%0.555CS.*SBendtrans-61.8151.7173.400000112.2K7 F59K7-A66 PolarHBondContact NZ-O 3.46Å; F59-A66 HydrophobicContact CB-CB 4.25Å; F59-A66 HydrophobicContact CD1-CB 3.92Å; F59-A66 HydrophobicContact CG-CB 4.19Å
67P79.4Confident65.7Low72 Ų7296 Ų9647%0.46856%0.559SS.*PPolyproline II helixtrans-63.5139170.327.5-33.7000110.7E69P67-E69 PolarHBondContact O-N 3.43Å
68D65.1Low63.6Low129 Ų12998.9 Ų98.969%0.6958%0.577SS**PPolyproline II helixtrans-74.3122.6177.4-52.7-71000110.2K7 E70K7-D68 WeakPolarHBondContact CE-OD2 3.49Å; K7-D68 IonicContact NZ-OD1 2.67Å; K7-D68 PolarHBondContact NZ-OD1 3.07Å; K7-D68 IonicContact NZ-OD2 2.59Å; K7-D68 PolarHBondContact NZ-OD2 3.31Å; D68-E70 PolarHBondContact O-N 2.93Å
69E59.9Low61.5Low183 Ų183104.5 Ų104.586%0.85561%0.613SS**PPolyproline II helixtrans-72124.5179.6-69.7-167.8133.800112.4P67 I71P67-E69 PolarHBondContact O-N 3.43Å; E69-I71 PolarHBondContact O-N 3.2Å
70E39Very low59.3Low197 Ų197107.8 Ų107.892%0.92164%0.639SS**  trans-73.2107.7165.7-75.5-164.5135.700110.4D68 A72D68-E70 PolarHBondContact O-N 2.93Å; E70-A72 PolarHBondContact O-N 2.86Å; E70-A72 VanDerWaalsContact O-N 3.12Å
71I43.3Very low56.8Low164 Ų164109.7 Ų109.784%0.84164%0.644SS**  trans-69.7106.9-179.3-57174.1000110.9E69E69-I71 PolarHBondContact O-N 3.2Å
72A34.6Very low54Low82 Ų82113.4 Ų113.468%0.67867%0.669SS**PPolyproline II helixtrans-84.1141.3165.400000111.3E70E70-A72 PolarHBondContact O-N 2.86Å; E70-A72 VanDerWaalsContact O-N 3.12Å
73P37.5Very low52.1Low122 Ų122118.1 Ų118.179%0.79270%0.7SS**PPolyproline II helixtrans-82.3144.5-169.931.8-36.1000114.8
74S40.6Very low49.5Very low120 Ų120120.4 Ų120.484%0.83971%0.712SS**PPolyproline II helixtrans-74143.7179.2-42.30000114.4
75P43.6Very low47Very low124 Ų124120.1 Ų120.181%0.80572%0.719SS**PPolyproline II helixtrans-101.4166.1158.635.3-28.8000113.3
76E31.7Very low44.5Very low192 Ų192125 Ų12590%0.89775%0.749SS**PPolyproline II helixtrans-86.3159.6-157.5-57.7163.9113.900117
77T39.8Very low42.1Very low140 Ų140133.2 Ų133.286%0.85978%0.781SS**PPolyproline II helixtrans-92.7133.216452.30000112.6
78P43.7Very low39.8Very low113 Ų113135.3 Ų135.373%0.73479%0.792SS**  trans-150.9176.6132.933.8-15.4000114.5
79P44.6Very low38Very low119 Ų119135 Ų13577%0.77379%0.79SS**  cis-132.8-155.5-44.843.7-26000110.2
80P46.4Very low36.5Very low111 Ų111134.7 Ų134.772%0.72179%0.786SS**  trans-117.2-174.4-164.343.8-34.3000115.7
81P35.2Very low36.1Very low125 Ų125132.5 Ų132.581%0.81278%0.779SS**  trans-121.2150.615637.7-27.2000114.7
82T29.1Very low35.5Very low131 Ų131128.3 Ų128.380%0.80477%0.769SS**  trans-148.8-179.8167.457.70000107.9
83P51.1Low35.3Very low110 Ų110133.8 Ų133.871%0.71478%0.778SS**  -122.8179.6-51.735.8-22.1000111.5
84T28.7Very low34.8Very low149 Ų149135.3 Ų135.391%0.91478%0.779SS**  trans-149.5170.5154.2-15.90000110.6
85S29.8Very low34.2Very low106 Ų106140 Ų14074%0.74178%0.778SS**  trans-141.8-176.2-148.764.10000115.7
86V29.9Very low33.5Very low116 Ų116144 Ų14470%0.70378%0.778SS**  trans108.492.2163-172.90000117.2
87K31Very low33.3Very low193 Ų193140.6 Ų140.684%0.83977%0.77SS**  52.8153.7120.6-62.3179.4-176.3174.80120
88V30.5Very low32.7Very low115 Ų115141.9 Ų141.970%0.69777%0.77SS**  cis-174.5143.9-2.6133.70000105.9
89N27.6Very low31.8Very low123 Ų123140.4 Ų140.466%0.65877%0.767SS**  -173.1144.667.4-123.2-20.9000108.2
90K29.3Very low31.9Very low176 Ų176139.8 Ų139.877%0.76576%0.763SS**  50.1140.794-62-170.2-174.8175.30116.1
91I29.8Very low31Very low152 Ų152140.1 Ų140.178%0.77976%0.763SS**  cis-166.9172.93.7-115.1170.5000108.7
92A30.2Very low30.8Very low76 Ų76142 Ų14263%0.62876%0.759SS**  -177.8159.8-5300000112
93K31.5Very low30.8Very low197 Ų197142.1 Ų142.186%0.85775%0.754SS**  trans71.4110.9157.5-70.8-179.5178.8-179.90122.8
94N27.5Very low29.7Very low154 Ų154145.5 Ų145.582%0.82476%0.76SS**  58.9122.5118.3-80.86.3000125.2
95R27.8Very low29.7Very low217 Ų217144.1 Ų144.182%0.81975%0.752SS**  96.2106.4120.3-160.9-173.4-149.5-1618.9121.7
96R28.6Very low30.1Very low210 Ų210144.7 Ų144.779%0.79275%0.753SS**  trans66131142.5-77.6-168.1171.8-177.6-2.8123
97T27Very low30.2Very low120 Ų120144 Ų14474%0.73675%0.754SS**  trans82.3152.9132.8520000123
98I27.9Very low30.2Very low166 Ų166142.7 Ų142.785%0.85175%0.748SS**  trans82.7133.4167.2-37178.3000115.8
99A25.4Very low30.2Very low83 Ų83142.2 Ų142.269%0.68674%0.741SS**  trans-102.7-152.3172.200000108.6
100P46.3Very low30.4Very low105 Ų105142.3 Ų142.368%0.68274%0.742SS**  cis-132.2-156.1-12.928.8-2.7000112.2
101T27.8Very low30.4Very low118 Ų118145.2 Ų145.272%0.72475%0.748SS**  trans76.1149.9160.864.90000117.9
102K29.8Very low30.3Very low166 Ų166142.7 Ų142.772%0.72275%0.75SS**  cis-162.7146-1-124.3170.4-178.6-177.70112.4
103N29.2Very low30.4Very low132 Ų132146.9 Ų146.971%0.70676%0.76SS**  trans58.8173.5135.7-70.321.4000119.9
104E27.6Very low30.7Very low181 Ų181142.7 Ų142.785%0.84675%0.753SS**  cis-133.2163.918.2-90.4-167.4143.900117.5
105T28.9Very low30.7Very low120 Ų120141.5 Ų141.574%0.73675%0.751SS**  trans-105.9177.3170.154.70000111.1
106P39Very low30.8Very low118 Ų118142.7 Ų142.777%0.76676%0.756SS**  -128.7-173.91112.220.5000111
107S30.6Very low30.8Very low102 Ų102138.1 Ų138.171%0.71375%0.751SS**  cis178.8165.6-25.9-91.60000105.8
108K32.8Very low31Very low165 Ų165143.4 Ų143.472%0.71776%0.758SS**  cis-172168.4-12-103.9173.8158.7-102.80105.8
109D30.3Very low31.2Very low105 Ų105141.5 Ų141.556%0.56176%0.756SS**  cis-158.7164.1-1.9-125.4-22.7000111.4
110N30.9Very low31.4Very low125 Ų125145.6 Ų145.667%0.66877%0.765SS**  trans46.5100.3148-66.9-50.1000125
111R30.3Very low30.7Very low238 Ų238148.6 Ų148.690%0.89877%0.771SS**  62109.9105.2-172.3-174.4-179175.71121.9
112A27.7Very low31.1Very low98 Ų98149.3 Ų149.381%0.8178%0.777SS**  trans-163.1157.7134.900000112.8
113I31.5Very low31.2Very low165 Ų165150.4 Ų150.485%0.84679%0.785SS**  trans-142.6134.4178.6-70.6179000104.9
114P38.5Very low31.5Very low108 Ų108152.7 Ų152.770%0.70179%0.791SS**  -150.4161.863.742.9-23.2000119.9
115T27.6Very low31.9Very low129 Ų129150.1 Ų150.179%0.79179%0.79SS**  trans23.5121.7147.661.70000121.6
116R29.4Very low32.2Very low242 Ų242151.8 Ų151.891%0.91379%0.794SS**  -161.2166.4119.6-128.9-175.6151.5155.3-5.3115.4
117T28.7Very low32.2Very low114 Ų114152.1 Ų152.170%0.69980%0.797SS**  trans-71.3145.5-172.348.70000117.2
118R30.2Very low32.7Very low232 Ų232151.8 Ų151.888%0.87580%0.8SS**  trans41.7118.9133.8-163.7178.6-172.1175.53.8119.4
119P32Very low33.4Very low125 Ų125149.9 Ų149.981%0.81280%0.804SS**  trans-65.6157.9170.4-2033000114.6
120L29.9Very low34.6Very low169 Ų169150.5 Ų150.589%0.88581%0.814SS**  trans-118.1168.9177.8-98.7166.5000112.3
121Q32.1Very low35.1Very low169 Ų169150.2 Ų150.279%0.7982%0.819SS**PPolyproline II helixtrans-78.6157.1179.8-69.8164-37.900112.3
122P35Very low35.8Very low132 Ų132144.8 Ų144.886%0.85782%0.815SS**PPolyproline II helixtrans-69.7151.4178.229.1-35.7000113.2
123Q32.7Very low36.6Very low189 Ų189146 Ų14688%0.88381%0.812SS**PPolyproline II helixtrans-91159-172.1-64.2170.1-83.100114.1
124Q35.1Very low36.7Very low181 Ų181147.4 Ų147.485%0.84682%0.815SS**PPolyproline II helixtrans-99.5157157.2-69.7-177.1-47.700109.6
125P37.5Very low36.4Very low126 Ų126150.5 Ų150.582%0.81882%0.82SS**PPolyproline II helixtrans-81.4159.1-178.233-36000114.4
126D34.7Very low37.5Very low155 Ų155149.7 Ų149.783%0.82982%0.817SS**PPolyproline II helixtrans-80.5158.7-168.6-58.4-74.5000116.7
127P39.6Very low37.7Very low125 Ų125145.1 Ų145.181%0.81282%0.816SS**PPolyproline II helixtrans-93.4164.5166.837.7-34.2000113.8
128A40Very low38.6Very low95 Ų95148.3 Ų148.379%0.78582%0.823SS**  trans-110159.5-179.200000113.6
129P47.2Very low39.1Very low125 Ų125145.1 Ų145.181%0.81282%0.823SS**  trans-86.1167.9-169.633.6-36.5000116.5
130P56.8Low39.5Very low118 Ų118148.3 Ų148.377%0.76683%0.827SS**  trans-99.6168.3-166.741.4-38.3000114.8
131P39.9Very low40.3Very low119 Ų119147 Ų14777%0.77383%0.826SS**  -153-167.596.542.9-25.6000113.5
132P44.5Very low40.8Very low124 Ų124147.8 Ų147.881%0.80583%0.83SS**  cis-120.3-172.1-23.123.8-0.3000113.2
133V45.9Very low41.2Very low125 Ų125150.7 Ų150.776%0.75883%0.832SS**  trans-94142.2-175.8175.50000113.6
134Q32.9Very low41.6Very low194 Ų194151 Ų15191%0.90783%0.833SS**  trans-152.6144.8143.7-112.2165.944.300111.6
135Q33.6Very low42.2Very low173 Ų173151.7 Ų151.781%0.80884%0.836SS**  trans-118.9178.6175.2-58.9-177.6-3.900109
136P49.8Very low42.5Very low112 Ų112154.6 Ų154.673%0.72784%0.839SS**  -122.7171.3-63.536.6-23.9000110.3
137T33.3Very low42.7Very low146 Ų146154.5 Ų154.590%0.89684%0.839SS**  trans-135.2124.4163.9-34.80000110.5
138Q47.9Very low43.1Very low180 Ų180153 Ų15384%0.84184%0.836SS**  trans-72.7132.3175.3-61.9164.6-1900109.1
139L41.1Very low43.7Very low166 Ų166160.1 Ų160.187%0.86984%0.843SS**  trans164.997.5143.9-92.3160.7000110.6
140Q39.6Very low44.3Very low191 Ų191165.4 Ų165.489%0.89385%0.847SS**  trans165.260140.9-89.7175.820.400112Q142Q140-Q142 PolarHBondContact O-N 2.82Å
141T46.2Very low44.4Very low142 Ų142164.4 Ų164.487%0.87183%0.83SS**  trans-6891.6158.8180000109.9
142Q44Very low45.5Very low186 Ų186162.3 Ų162.387%0.86982%0.819SS**SBendtrans178.754.3151.9-102.1172.435.700114.2Q140Q140-Q142 PolarHBondContact O-N 2.82Å
143Q42.9Very low46.6Very low193 Ų193162 Ų16290%0.90281%0.81SS**SBendtrans-153.922.2164.4-127.3160.792.300117.3
144Q42Very low47Very low196 Ų196160.5 Ų160.592%0.91680%0.804SS**  trans-119.651178.3-72.3-169.3-13.200113.8
145Q46.5Very low48.5Very low194 Ų194154.9 Ų154.991%0.90778%0.783SS**SBendtrans-127.912.8169.1-92.1-172.3-10.500114.9
146Q43.8Very low50.3Low187 Ų187151 Ų15187%0.87476%0.763SS**  trans-128.165.9171.2-70.3-165.3-1.200112.6
147N39.8Very low51.1Low154 Ų154150.6 Ų150.682%0.82475%0.752SS**  trans-146.450160.6-110.3-33.2000112.2R149N147-R149 PolarHBondContact O-N 2.81Å
148A46.3Very low52.6Low92 Ų92148.2 Ų148.276%0.7674%0.737SS**  trans-55.4125.3160.400000108.7R150A148-R150 PolarHBondContact O-N 2.73Å
149R54.5Low53.8Low245 Ų245143.3 Ų143.393%0.92571%0.714SS**  trans-45.5105.9-173.9-80.1175162.7170.9-6.6111.3N147 K151N147-R149 PolarHBondContact O-N 2.81Å; R149-K151 VanDerWaalsContact C-N 3.34Å; R149-K151 PolarHBondContact O-N 2.7Å
150R59.1Low55.5Low236 Ų236140.7 Ų140.789%0.89170%0.695SS**  trans-6592.2173.2-86.1-177.4164.4-177.5-3.9109.4A148 S152A148-R150 PolarHBondContact O-N 2.73Å; R150-S152 PolarHBondContact O-N 3.26Å
151K58.4Low56.7Low98 Ų98135.8 Ų135.843%0.42668%0.675SS.*  trans-50.6130.9171.2-63.2-177.8-171.2173.20109.3R149 V155 K156 E159R149-K151 VanDerWaalsContact C-N 3.34Å; R149-K151 PolarHBondContact O-N 2.7Å; K151-V155 HydrophobicContact CB-CB 4.37Å; K151-V155 HydrophobicContact CB-CG1 4.22Å; K151-V155 HydrophobicContact CD-CG1 4.25Å; K151-V155 HydrophobicContact CG-CG1 4.44Å; K151-K156 HydrophobicContact CB-CG 4.15Å; K151-K156 VanDerWaalsContact O-CE 3.29Å; K151-K156 WeakPolarHBondContact O-CE 3.42Å; K151-E159 VanDerWaalsContact CD-OE2 3.27Å; K151-E159 WeakPolarHBondContact CD-OE2 3.48Å; K151-E159 IonicContact NZ-OE1 2.75Å; K151-E159 PolarHBondContact NZ-OE1 2.77Å; K151-E159 IonicContact NZ-OE2 2.66Å; K151-E159 PolarHBondContact NZ-OE2 3.45Å
152S62.7Low57.8Low75 Ų75132.6 Ų132.652%0.52465%0.65SS.*  trans-56.8150.1175.8173.60000110.8R150 C154 V155 K156R150-S152 PolarHBondContact O-N 3.26Å; S152-C154 PolarHBondContact O-N 2.58Å; S152-V155 WeakPolarHBondContact O-CA 3.2Å; S152-V155 WeakPolarHBondContact O-CB 3.45Å; S152-V155 PolarHBondContact O-N 3.13Å; S152-K156 PolarHBondContact O-N 2.82Å
153N68.7Low59.6Low118 Ų118128.3 Ų128.363%0.63163%0.63SS**Hα-helixtrans-57.1-34.9179.4-73.7-12.2000112.3V155 K156 E157N153-V155 PolarHBondContact O-N 3.23Å; N153-K156 PolarHBondContact O-N 2.91Å; N153-E157 PolarHBondContact O-N 2.88Å
154C53.3Low61.4Low93 Ų93126.1 Ų126.163%0.62862%0.618SS**Hα-helixtrans-59.8-45.8172.9-177.70000111.9S152 K156 E157 V158S152-C154 PolarHBondContact O-N 2.58Å; C154-K156 VanDerWaalsContact C-N 3.31Å; C154-K156 PolarHBondContact O-N 2.99Å; C154-E157 PolarHBondContact O-N 3.48Å; C154-V158 WeakPolarHBondContact O-CG2 3.41Å; C154-V158 PolarHBondContact O-N 3.32Å
155V65.3Low62.6Low75 Ų75123.6 Ų123.646%0.45560%0.6SS.*Hα-helixtrans-63-38176.9179.80000111K151 S152 N153 V158 E159K151-V155 HydrophobicContact CB-CB 4.37Å; K151-V155 HydrophobicContact CB-CG1 4.22Å; K151-V155 HydrophobicContact CD-CG1 4.25Å; K151-V155 HydrophobicContact CG-CG1 4.44Å; S152-V155 WeakPolarHBondContact O-CA 3.2Å; S152-V155 WeakPolarHBondContact O-CB 3.45Å; S152-V155 PolarHBondContact O-N 3.13Å; N153-V155 PolarHBondContact O-N 3.23Å; V155-V158 PolarHBondContact O-N 2.96Å; V155-E159 VanDerWaalsContact O-CB 3.29Å; V155-E159 WeakPolarHBondContact O-CB 3Å; V155-E159 PolarHBondContact O-N 3.36Å
156K70.9Confident64Low91 Ų91119 Ų11940%0.39658%0.578SS.*Hα-helixtrans-66.9-37.3176.4-67.8179.2178.2174.60113.5K151 S152 N153 C154 E159 K160K151-K156 HydrophobicContact CB-CG 4.15Å; K151-K156 VanDerWaalsContact O-CE 3.29Å; K151-K156 WeakPolarHBondContact O-CE 3.42Å; S152-K156 PolarHBondContact O-N 2.82Å; N153-K156 PolarHBondContact O-N 2.91Å; C154-K156 VanDerWaalsContact C-N 3.31Å; C154-K156 PolarHBondContact O-N 2.99Å; K156-E159 PolarHBondContact O-N 3.45Å; K156-K160 WeakPolarHBondContact O-CG 3.26Å; K156-K160 PolarHBondContact O-N 2.96Å
157E67.8Low65.9Low105 Ų105116.5 Ų116.549%0.49156%0.561SS.*Hα-helixtrans-72.4-34.1175.6-63.5-47.6125.600112N153 C154 K160 L161N153-E157 PolarHBondContact O-N 2.88Å; C154-E157 PolarHBondContact O-N 3.48Å; E157-K160 WeakPolarHBondContact OE1-CE 3.06Å; E157-K160 IonicContact OE1-NZ 3.24Å; E157-K160 PolarHBondContact OE1-NZ 2.88Å; E157-K160 WeakPolarHBondContact OE2-CD 3.42Å; E157-K160 IonicContact OE2-NZ 2.69Å; E157-K160 PolarHBondContact OE2-NZ 2.71Å; E157-L161 WeakPolarHBondContact O-CB 3.22Å; E157-L161 PolarHBondContact O-N 3.12Å
158V64.2Low67.5Low96 Ų96117.7 Ų117.758%0.58255%0.553SS**Hα-helixtrans-63.3-42.5169.6173.50000111C154 V155 L161 Q162C154-V158 WeakPolarHBondContact O-CG2 3.41Å; C154-V158 PolarHBondContact O-N 3.32Å; V155-V158 PolarHBondContact O-N 2.96Å; V158-L161 WeakPolarHBondContact O-CB 3.25Å; V158-L161 PolarHBondContact O-N 3.42Å; V158-Q162 PolarHBondContact O-N 3.34Å
159E73.3Confident68.8Low76 Ų76122 Ų12236%0.35555%0.55SS..Hα-helixtrans-63.4-47.7177.3-172.8154.6-111.200111.9K151 V155 K156 L161 Q162 E163K151-E159 VanDerWaalsContact CD-OE2 3.27Å; K151-E159 WeakPolarHBondContact CD-OE2 3.48Å; K151-E159 IonicContact NZ-OE1 2.75Å; K151-E159 PolarHBondContact NZ-OE1 2.77Å; K151-E159 IonicContact NZ-OE2 2.66Å; K151-E159 PolarHBondContact NZ-OE2 3.45Å; V155-E159 VanDerWaalsContact O-CB 3.29Å; V155-E159 WeakPolarHBondContact O-CB 3Å; V155-E159 PolarHBondContact O-N 3.36Å; K156-E159 PolarHBondContact O-N 3.45Å; E159-L161 VanDerWaalsContact C-N 3.29Å; E159-L161 PolarHBondContact O-N 2.91Å; E159-Q162 WeakPolarHBondContact O-CB 3.36Å; E159-Q162 PolarHBondContact O-N 2.68Å; E159-Q162 VanDerWaalsContact O-N 3.1Å; E159-E163 PolarHBondContact O-N 3.15Å
160K75.2Confident70Confident111 Ų111115 Ų11548%0.48353%0.531SS..Hα-helixtrans-58.1-38.5170.7-73.8170.9179.8174.80113.1K156 E157 Q162 K164K156-K160 WeakPolarHBondContact O-CG 3.26Å; K156-K160 PolarHBondContact O-N 2.96Å; E157-K160 WeakPolarHBondContact OE1-CE 3.06Å; E157-K160 IonicContact OE1-NZ 3.24Å; E157-K160 PolarHBondContact OE1-NZ 2.88Å; E157-K160 WeakPolarHBondContact OE2-CD 3.42Å; E157-K160 IonicContact OE2-NZ 2.69Å; E157-K160 PolarHBondContact OE2-NZ 2.71Å; K160-Q162 VanDerWaalsContact C-N 3.3Å; K160-K164 VanDerWaalsContact O-CB 3.24Å; K160-K164 WeakPolarHBondContact O-CB 3.16Å; K160-K164 PolarHBondContact O-N 2.74Å
161L65.7Low70.9Confident89 Ų89109.4 Ų109.447%0.46652%0.515SS..Hα-helixtrans-67.4-35.1178.1-173.565.3000110.9E157 V158 E159 R165E157-L161 WeakPolarHBondContact O-CB 3.22Å; E157-L161 PolarHBondContact O-N 3.12Å; V158-L161 WeakPolarHBondContact O-CB 3.25Å; V158-L161 PolarHBondContact O-N 3.42Å; E159-L161 VanDerWaalsContact C-N 3.29Å; E159-L161 PolarHBondContact O-N 2.91Å; L161-R165 WeakPolarHBondContact O-CD 3.27Å; L161-R165 VanDerWaalsContact O-CG 3.25Å; L161-R165 WeakPolarHBondContact O-CG 3.39Å; L161-R165 PolarHBondContact O-N 2.83Å; L161-R165 VanDerWaalsContact O-N 3.08Å
162Q69.9Low71.4Confident75 Ų75110.8 Ų110.835%0.3552%0.522SS..Hα-helixtrans-68.5-51.1173.3-172.662.414.400111.5V158 E159 K160 K164 R165 E166V158-Q162 PolarHBondContact O-N 3.34Å; E159-Q162 WeakPolarHBondContact O-CB 3.36Å; E159-Q162 PolarHBondContact O-N 2.68Å; E159-Q162 VanDerWaalsContact O-N 3.1Å; K160-Q162 VanDerWaalsContact C-N 3.3Å; Q162-K164 PolarHBondContact O-N 3.25Å; Q162-K164 VanDerWaalsContact O-N 3.16Å; Q162-R165 WeakPolarHBondContact O-CA 3.42Å; Q162-R165 WeakPolarHBondContact O-CB 3.44Å; Q162-R165 PolarHBondContact O-N 3.21Å; Q162-E166 WeakPolarHBondContact CG-OE1 3.22Å; Q162-E166 PolarHBondContact NE2-OE1 3.34Å; Q162-E166 PolarHBondContact O-N 3.37Å
163E81.6Confident71.8Confident96 Ų96112.1 Ų112.145%0.44952%0.52SS..Hα-helixtrans-53.6-37.3172.8-71.2177.3-17900112.4E159 R167E159-E163 PolarHBondContact O-N 3.15Å; E163-R167 WeakPolarHBondContact O-CB 3.26Å; E163-R167 PolarHBondContact O-N 3.11Å
164K79.4Confident72.4Confident147 Ų147111.1 Ų111.164%0.63951%0.512SS*.Hα-helixtrans-72.8-30.3178.2-167.3175.2-174.4179.10112.4K160 Q162 R168K160-K164 VanDerWaalsContact O-CB 3.24Å; K160-K164 WeakPolarHBondContact O-CB 3.16Å; K160-K164 PolarHBondContact O-N 2.74Å; Q162-K164 PolarHBondContact O-N 3.25Å; Q162-K164 VanDerWaalsContact O-N 3.16Å; K164-R168 WeakPolarHBondContact O-CB 3.46Å; K164-R168 PolarHBondContact O-N 3.35Å
165R67.4Low73.4Confident143 Ų143111.4 Ų111.454%0.5451%0.507SS..Hα-helixtrans-73-44.7171.5-72.6162.1172.8-175.8-3111.2L161 Q162 R168 R169L161-R165 WeakPolarHBondContact O-CD 3.27Å; L161-R165 VanDerWaalsContact O-CG 3.25Å; L161-R165 WeakPolarHBondContact O-CG 3.39Å; L161-R165 PolarHBondContact O-N 2.83Å; L161-R165 VanDerWaalsContact O-N 3.08Å; Q162-R165 WeakPolarHBondContact O-CA 3.42Å; Q162-R165 WeakPolarHBondContact O-CB 3.44Å; Q162-R165 PolarHBondContact O-N 3.21Å; R165-R168 PolarHBondContact O-N 3.01Å; R165-R169 WeakPolarHBondContact O-CG 3.47Å; R165-R169 PolarHBondContact O-N 3.45Å
166E77.5Confident73.5Confident96 Ų96117.4 Ų117.445%0.44952%0.521SS..Hα-helixtrans-66.5-48.4-178.9-72.9165.1175.300111.6Q162 R168 R169 L170Q162-E166 WeakPolarHBondContact CG-OE1 3.22Å; Q162-E166 PolarHBondContact NE2-OE1 3.34Å; Q162-E166 PolarHBondContact O-N 3.37Å; E166-R168 VanDerWaalsContact C-N 3.26Å; E166-R168 PolarHBondContact O-N 3.33Å; E166-R169 WeakPolarHBondContact O-CA 3.44Å; E166-R169 WeakPolarHBondContact O-CB 3.39Å; E166-R169 PolarHBondContact O-N 3.33Å; E166-L170 PolarHBondContact O-N 3.36Å
167R82.3Confident73.5Confident135 Ų135117.3 Ų117.351%0.50952%0.522SS..Hα-helixtrans-58.4-34.9171.8174.4166.929.7-174.5-14.7113.1E163 Q171E163-R167 WeakPolarHBondContact O-CB 3.26Å; E163-R167 PolarHBondContact O-N 3.11Å; R167-Q171 WeakPolarHBondContact O-CB 3.3Å; R167-Q171 VanDerWaalsContact O-CG 3.32Å; R167-Q171 WeakPolarHBondContact O-CG 3.44Å; R167-Q171 PolarHBondContact O-N 2.96Å
168R73.8Confident73.9Confident179 Ų179118.6 Ų118.668%0.67553%0.526SS*.Hα-helixtrans-69.4-38.3173.8-175.5178.5179.1-174.90.8112K164 R165 E166 Q172K164-R168 WeakPolarHBondContact O-CB 3.46Å; K164-R168 PolarHBondContact O-N 3.35Å; R165-R168 PolarHBondContact O-N 3.01Å; E166-R168 VanDerWaalsContact C-N 3.26Å; E166-R168 PolarHBondContact O-N 3.33Å; R168-Q172 VanDerWaalsContact O-CB 3.28Å; R168-Q172 WeakPolarHBondContact O-CB 3.49Å; R168-Q172 PolarHBondContact O-N 3.17Å; R168-Q172 VanDerWaalsContact O-N 3.1Å
169R73.4Confident74Confident182 Ų182121.2 Ų121.269%0.68753%0.526SS*.Hα-helixtrans-62.5-48172.1-72.1175.1175.7-171.8-3.4110.6R165 E166 Q172 Q173R165-R169 WeakPolarHBondContact O-CG 3.47Å; R165-R169 PolarHBondContact O-N 3.45Å; E166-R169 WeakPolarHBondContact O-CA 3.44Å; E166-R169 WeakPolarHBondContact O-CB 3.39Å; E166-R169 PolarHBondContact O-N 3.33Å; R169-Q172 CarbonylContact O-C 3.58Å; R169-Q172 PolarHBondContact O-N 2.85Å; R169-Q172 VanDerWaalsContact O-N 3.13Å; R169-Q173 WeakPolarHBondContact O-CB 3.41Å; R169-Q173 PolarHBondContact O-N 3.3Å
170L79.7Confident73.6Confident100 Ų100120.5 Ų120.552%0.52453%0.533SS..Hα-helixtrans-60.2-48.4-179.7-162.673000111.5E166 Q172 Q173 E174E166-L170 PolarHBondContact O-N 3.36Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 2.86Å; L170-Q173 CarbonylContact O-C 3.47Å; L170-Q173 WeakPolarHBondContact O-CA 3.09Å; L170-Q173 WeakPolarHBondContact O-CB 3.17Å; L170-Q173 PolarHBondContact O-N 2.98Å; L170-Q173 VanDerWaalsContact O-N 3.09Å; L170-E174 WeakPolarHBondContact O-CG 3.38Å; L170-E174 PolarHBondContact O-N 3.49Å
171Q78.9Confident73.1Confident117 Ų117122.9 Ų122.955%0.54755%0.545SS..Hα-helixtrans-61.4-33.7175.1-74.2177.6-26.200113.5R167 L175R167-Q171 WeakPolarHBondContact O-CB 3.3Å; R167-Q171 VanDerWaalsContact O-CG 3.32Å; R167-Q171 WeakPolarHBondContact O-CG 3.44Å; R167-Q171 PolarHBondContact O-N 2.96Å; Q171-L175 VanDerWaalsContact O-CB 3.31Å; Q171-L175 WeakPolarHBondContact O-CB 3.47Å; Q171-L175 PolarHBondContact O-N 3.33Å; Q171-L175 VanDerWaalsContact O-N 3.12Å
172Q68.7Low73.1Confident127 Ų127126.2 Ų126.259%0.59356%0.559SS**Hα-helixtrans-75.8-26.9176.9-167.7167.512.900112.1R168 R169 L170 R176R168-Q172 VanDerWaalsContact O-CB 3.28Å; R168-Q172 WeakPolarHBondContact O-CB 3.49Å; R168-Q172 PolarHBondContact O-N 3.17Å; R168-Q172 VanDerWaalsContact O-N 3.1Å; R169-Q172 CarbonylContact O-C 3.58Å; R169-Q172 PolarHBondContact O-N 2.85Å; R169-Q172 VanDerWaalsContact O-N 3.13Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 2.86Å; Q172-R176 PolarHBondContact O-N 2.88Å
173Q71.9Confident72.9Confident103 Ų103123.9 Ų123.948%0.48155%0.55SS..Hα-helixtrans-75.5-50.8171.6174.6170-800111.3R169 L170 L175 R176 E177R169-Q173 WeakPolarHBondContact O-CB 3.41Å; R169-Q173 PolarHBondContact O-N 3.3Å; L170-Q173 CarbonylContact O-C 3.47Å; L170-Q173 WeakPolarHBondContact O-CA 3.09Å; L170-Q173 WeakPolarHBondContact O-CB 3.17Å; L170-Q173 PolarHBondContact O-N 2.98Å; L170-Q173 VanDerWaalsContact O-N 3.09Å; Q173-L175 PolarHBondContact O-N 3.15Å; Q173-R176 CarbonylContact O-C 3.52Å; Q173-R176 WeakPolarHBondContact O-CA 3.34Å; Q173-R176 WeakPolarHBondContact O-CB 3.25Å; Q173-R176 PolarHBondContact O-N 3.31Å; Q173-E177 HydrophobicContact CG-CG 4.35Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.29Å; Q173-E177 PolarHBondContact NE2-OE1 2.87Å; Q173-E177 WeakPolarHBondContact O-CG 3.32Å; Q173-E177 PolarHBondContact O-N 2.85Å
174E80Confident72.2Confident98 Ų98122.9 Ų122.946%0.45855%0.547SS..Hα-helixtrans-52.7-40.2173.2-72.2179143.900111.9L170 E177 K178L170-E174 WeakPolarHBondContact O-CG 3.38Å; L170-E174 PolarHBondContact O-N 3.49Å; E174-E177 PolarHBondContact O-N 2.61Å; E174-K178 WeakPolarHBondContact O-CB 3.34Å; E174-K178 WeakPolarHBondContact O-CG 3.38Å; E174-K178 PolarHBondContact O-N 2.87Å
175L74.8Confident71.6Confident98 Ų98120.7 Ų120.751%0.51355%0.546SS..Hα-helixtrans-68.6-32.7176.5-176.962.7000112.6Q171 Q173 R179Q171-L175 VanDerWaalsContact O-CB 3.31Å; Q171-L175 WeakPolarHBondContact O-CB 3.47Å; Q171-L175 PolarHBondContact O-N 3.33Å; Q171-L175 VanDerWaalsContact O-N 3.12Å; Q173-L175 PolarHBondContact O-N 3.15Å; L175-R179 WeakPolarHBondContact O-CB 3.28Å; L175-R179 VanDerWaalsContact O-CG 3.25Å; L175-R179 WeakPolarHBondContact O-CG 3.31Å; L175-R179 PolarHBondContact O-N 2.85Å
176R67.6Low71.9Confident202 Ų202118.7 Ų118.776%0.76255%0.55SS**Hα-helixtrans-73.6-40.8174.8-172.1180-178.4-172.8-1111.1Q172 Q173 R179 A180Q172-R176 PolarHBondContact O-N 2.88Å; Q173-R176 CarbonylContact O-C 3.52Å; Q173-R176 WeakPolarHBondContact O-CA 3.34Å; Q173-R176 WeakPolarHBondContact O-CB 3.25Å; Q173-R176 PolarHBondContact O-N 3.31Å; R176-R179 PolarHBondContact O-N 3.05Å; R176-A180 WeakPolarHBondContact O-CB 3.44Å; R176-A180 PolarHBondContact O-N 2.8Å
177E70.4Confident71.6Confident89 Ų89116.2 Ų116.242%0.41654%0.539SS..Hα-helixtrans-67.5-44.5178.3-71.7164.2179.600111.5Q173 E174 R179 A180 Q181Q173-E177 HydrophobicContact CG-CG 4.35Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.29Å; Q173-E177 PolarHBondContact NE2-OE1 2.87Å; Q173-E177 WeakPolarHBondContact O-CG 3.32Å; Q173-E177 PolarHBondContact O-N 2.85Å; E174-E177 PolarHBondContact O-N 2.61Å; E177-R179 PolarHBondContact O-N 2.88Å; E177-A180 WeakPolarHBondContact O-CB 3.25Å; E177-A180 PolarHBondContact O-N 2.84Å; E177-A180 VanDerWaalsContact O-N 3.11Å; E177-Q181 WeakPolarHBondContact O-CG 3.24Å; E177-Q181 PolarHBondContact O-N 3.07Å
178K75.7Confident71.2Confident132 Ų132113.1 Ų113.157%0.57454%0.537SS*.Hα-helixtrans-60.7-42.2171.9-75.6-177.3178.7-178.70112.6E174 A180 Q181 E182E174-K178 WeakPolarHBondContact O-CB 3.34Å; E174-K178 WeakPolarHBondContact O-CG 3.38Å; E174-K178 PolarHBondContact O-N 2.87Å; K178-A180 VanDerWaalsContact C-N 3.31Å; K178-A180 PolarHBondContact O-N 3.04Å; K178-Q181 PolarHBondContact O-N 2.77Å; K178-E182 PolarHBondContact O-N 3.02Å; K178-E182 VanDerWaalsContact O-N 3.16Å
179R67.4Low71.6Confident150 Ų150107.2 Ų107.257%0.56652%0.519SS*.Hα-helixtrans-62.6-36.7172.9-77.5176176.9-151.1-1.5112.3L175 R176 E177 Q181 E182 V183L175-R179 WeakPolarHBondContact O-CB 3.28Å; L175-R179 VanDerWaalsContact O-CG 3.25Å; L175-R179 WeakPolarHBondContact O-CG 3.31Å; L175-R179 PolarHBondContact O-N 2.85Å; R176-R179 PolarHBondContact O-N 3.05Å; E177-R179 PolarHBondContact O-N 2.88Å; R179-Q181 VanDerWaalsContact C-N 3.33Å; R179-E182 PolarHBondContact O-N 2.9Å; R179-V183 VanDerWaalsContact O-CG2 3.25Å; R179-V183 WeakPolarHBondContact O-CG2 3.33Å
180A64.1Low72.1Confident61 Ų61102 Ų10250%0.50450%0.5SS..Hα-helixtrans-69-29.7175.100000112.8R176 E177 K178 E182 V183R176-A180 WeakPolarHBondContact O-CB 3.44Å; R176-A180 PolarHBondContact O-N 2.8Å; E177-A180 WeakPolarHBondContact O-CB 3.25Å; E177-A180 PolarHBondContact O-N 2.84Å; E177-A180 VanDerWaalsContact O-N 3.11Å; K178-A180 VanDerWaalsContact C-N 3.31Å; K178-A180 PolarHBondContact O-N 3.04Å; A180-E182 VanDerWaalsContact C-N 3.33Å; A180-V183 PolarHBondContact O-N 3.06Å
181Q65.2Low72.4Confident161 Ų161101 Ų10175%0.75249%0.492SS*.Hα-helixtrans-73.1-22.7172.7-70.1170.4-4.100113.2E177 K178 R179 V183E177-Q181 WeakPolarHBondContact O-CG 3.24Å; E177-Q181 PolarHBondContact O-N 3.07Å; K178-Q181 PolarHBondContact O-N 2.77Å; R179-Q181 VanDerWaalsContact C-N 3.33Å; Q181-V183 VanDerWaalsContact C-N 3.3Å
182E66.5Low72.9Confident159 Ų15995.8 Ų95.874%0.74347%0.468SS*.THydrogen-bonded Turntrans-82.7-2.6172.3-69.4175.1178.100113.3K178 R179 A180K178-E182 PolarHBondContact O-N 3.02Å; K178-E182 VanDerWaalsContact O-N 3.16Å; R179-E182 PolarHBondContact O-N 2.9Å; A180-E182 VanDerWaalsContact C-N 3.33Å
183V64.9Low73.9Confident27 Ų2793.3 Ų93.316%0.16446%0.457CS..SBendtrans-97.6122.6-174.4165.40000111.5R179 A180 Q181 T185 Y190 Y194R179-V183 VanDerWaalsContact O-CG2 3.25Å; R179-V183 WeakPolarHBondContact O-CG2 3.33Å; A180-V183 PolarHBondContact O-N 3.06Å; Q181-V183 VanDerWaalsContact C-N 3.3Å; V183-T185 HydrophobicContact CG1-CG2 4.45Å; V183-T185 PolarHBondContact O-N 2.69Å; V183-Y190 HydrophobicContact CG1-CD2 3.3Å; V183-Y190 HydrophobicContact CG1-CE2 3.57Å; V183-Y190 HydrophobicContact CG1-CG 3.88Å; V183-Y194 HydrophobicContact CB-CE2 4.48Å; V183-Y194 HydrophobicContact CG1-CE2 4.13Å; V183-Y194 HydrophobicContact CG2-CD2 4.39Å; V183-Y194 HydrophobicContact CG2-CE2 3.7Å
184D66.3Low74.7Confident75 Ų7592 Ų9240%0.40145%0.449SS..  trans-70.594.9170.3179.37000110.9T186 I187D184-T186 PolarHBondContact O-N 2.98Å; D184-T186 WeakPolarHBondContact OD1-CA 3.46Å; D184-T186 VanDerWaalsContact OD1-CB 3.24Å; D184-T186 WeakPolarHBondContact OD1-CB 3.48Å; D184-T186 WeakPolarHBondContact OD1-CG2 3.47Å; D184-T186 PolarHBondContact OD1-N 2.96Å; D184-T186 PolarHBondContact OD1-OG1 3.21Å; D184-T186 PolarHBondContact OD2-OG1 3.03Å; D184-I187 HydrophobicContact CB-CD1 3.99Å; D184-I187 HydrophobicContact CB-CG1 4.25Å; D184-I187 PolarHBondContact O-N 3.21Å; D184-I187 WeakPolarHBondContact OD2-CG1 3.36Å
185T68.1Low75.3Confident100 Ų10090.6 Ų90.661%0.61344%0.443SS*.THydrogen-bonded Turntrans-68.4-8.1176.953.20000113.7V183 I187 Y190V183-T185 HydrophobicContact CG1-CG2 4.45Å; V183-T185 PolarHBondContact O-N 2.69Å; T185-I187 PolarHBondContact O-N 2.92Å; T185-Y190 HydrophobicContact CG2-CE1 4.33Å
186T72.1Confident76.2Confident101 Ų10186.2 Ų86.262%0.6242%0.42SS*.THydrogen-bonded Turntrans-78.8-1.3171.582.50000113.1D184 K236D184-T186 PolarHBondContact O-N 2.98Å; D184-T186 WeakPolarHBondContact OD1-CA 3.46Å; D184-T186 VanDerWaalsContact OD1-CB 3.24Å; D184-T186 WeakPolarHBondContact OD1-CB 3.48Å; D184-T186 WeakPolarHBondContact OD1-CG2 3.47Å; D184-T186 PolarHBondContact OD1-N 2.96Å; D184-T186 PolarHBondContact OD1-OG1 3.21Å; D184-T186 PolarHBondContact OD2-OG1 3.03Å; T186-K236 PolarHBondContact O-NZ 3.14Å
187I71Confident77.5Confident44 Ų4483.6 Ų83.623%0.22641%0.41CS..SBendtrans-91.4112.1171.5-61.5174.5000108.8D184 T185 N189 Y190D184-I187 HydrophobicContact CB-CD1 3.99Å; D184-I187 HydrophobicContact CB-CG1 4.25Å; D184-I187 PolarHBondContact O-N 3.21Å; D184-I187 WeakPolarHBondContact OD2-CG1 3.36Å; T185-I187 PolarHBondContact O-N 2.92Å; I187-N189 PolarHBondContact O-N 3.09Å; I187-Y190 WeakPolarHBondContact O-CB 3.49Å; I187-Y190 PolarHBondContact O-N 2.8Å
188P74.8Confident78.5Confident70 Ų7084.2 Ų84.246%0.45542%0.416SS..THydrogen-bonded Turntrans-61.5139.8175.227.6-33.9000109.8Y190 K236P188-Y190 VanDerWaalsContact C-N 3.26Å; P188-Y190 PolarHBondContact O-N 3.27Å; P188-K236 HydrophobicContact CG-CB 4.46Å; P188-K236 HydrophobicContact CG-CD 4.38Å
189N82.5Confident79.3Confident55 Ų5580.6 Ų80.629%0.29440%0.4SS..THydrogen-bonded Turntrans61.825.1-178.5-53.1-65.9000115.1I187 E191 I192 M193 L238 R262 M529I187-N189 PolarHBondContact O-N 3.09Å; N189-E191 PolarHBondContact O-N 3.3Å; N189-E191 VanDerWaalsContact O-N 3.15Å; N189-I192 HydrophobicContact CB-CB 4.43Å; N189-I192 HydrophobicContact CB-CD1 4.14Å; N189-I192 WeakPolarHBondContact O-CB 3.47Å; N189-I192 PolarHBondContact O-N 2.93Å; N189-M193 PolarHBondContact O-N 3.46Å; N189-M193 VanDerWaalsContact O-N 3.13Å; N189-L238 HydrophobicContact CB-CD1 3.87Å; N189-R262 PolarHBondContact OD1-NH1 2.82Å; N189-M529 HydrophobicContact CB-CE 4.37Å
190Y83.9Confident80.6Confident74 Ų7476.2 Ų76.229%0.2938%0.384SS..Hα-helixtrans-49.8-40.817772.8-93.7000113V183 T185 I187 P188 I192 M193 Y194V183-Y190 HydrophobicContact CG1-CD2 3.3Å; V183-Y190 HydrophobicContact CG1-CE2 3.57Å; V183-Y190 HydrophobicContact CG1-CG 3.88Å; T185-Y190 HydrophobicContact CG2-CE1 4.33Å; I187-Y190 WeakPolarHBondContact O-CB 3.49Å; I187-Y190 PolarHBondContact O-N 2.8Å; P188-Y190 VanDerWaalsContact C-N 3.26Å; P188-Y190 PolarHBondContact O-N 3.27Å; Y190-I192 VanDerWaalsContact C-N 3.32Å; Y190-I192 PolarHBondContact O-N 2.8Å; Y190-M193 WeakPolarHBondContact O-CA 3.46Å; Y190-M193 WeakPolarHBondContact O-CB 3.27Å; Y190-M193 PolarHBondContact O-N 2.86Å; Y190-M193 VanDerWaalsContact O-N 3.11Å; Y190-Y194 HydrophobicContact CD2-CD2 4.28Å; Y190-Y194 VanDerWaalsContact O-CD2 3.24Å; Y190-Y194 WeakPolarHBondContact O-CD2 3.29Å; Y190-Y194 PolarHBondContact O-N 3.17Å
191E84.7Confident82.1Confident78 Ų7877.5 Ų77.536%0.36439%0.394SS..Hα-helixtrans-55.7-46.2178.5-61.4-172.9156.800112.2N189 Y194 M195 R262N189-E191 PolarHBondContact O-N 3.3Å; N189-E191 VanDerWaalsContact O-N 3.15Å; E191-Y194 PolarHBondContact O-N 3.13Å; E191-M195 HydrophobicContact CB-CE 4.44Å; E191-M195 WeakPolarHBondContact O-CG 3.43Å; E191-M195 PolarHBondContact O-N 3.44Å; E191-R262 WeakPolarHBondContact OE2-CD 3.3Å
192I90.3Very high83.4Confident8 Ų874 Ų744%0.04139%0.388CS..Hα-helixtrans-65.4-41.4178.9-66.6165000109.6N189 Y190 Y194 M195 I196 L238 P254 L264 M529N189-I192 HydrophobicContact CB-CB 4.43Å; N189-I192 HydrophobicContact CB-CD1 4.14Å; N189-I192 WeakPolarHBondContact O-CB 3.47Å; N189-I192 PolarHBondContact O-N 2.93Å; Y190-I192 VanDerWaalsContact C-N 3.32Å; Y190-I192 PolarHBondContact O-N 2.8Å; I192-Y194 PolarHBondContact O-N 2.73Å; I192-M195 PolarHBondContact O-N 2.89Å; I192-I196 HydrophobicContact CG2-CD1 3.84Å; I192-I196 HydrophobicContact CG2-CG1 4.49Å; I192-I196 VanDerWaalsContact O-CG1 3.28Å; I192-I196 WeakPolarHBondContact O-CG1 3.33Å; I192-I196 PolarHBondContact O-N 3.19Å; I192-L238 HydrophobicContact CB-CD1 4.12Å; I192-L238 HydrophobicContact CG2-CD1 3.89Å; I192-P254 HydrophobicContact CD1-CB 3.77Å; I192-P254 HydrophobicContact CG1-CB 4.25Å; I192-P254 HydrophobicContact CG2-CB 4.07Å; I192-P254 HydrophobicContact CG2-CG 4.08Å; I192-L264 HydrophobicContact CG2-CD2 4.14Å; I192-M529 HydrophobicContact CD1-SD 4.38Å; I192-M529 HydrophobicContact CG2-SD 4.29Å
193M90.4Very high84.7Confident74 Ų7468.5 Ų68.537%0.36536%0.363SS..Hα-helixtrans-58.7-45174.2-178.1-166162.500111.9N189 Y190 I196 R197 L238N189-M193 PolarHBondContact O-N 3.46Å; N189-M193 VanDerWaalsContact O-N 3.13Å; Y190-M193 WeakPolarHBondContact O-CA 3.46Å; Y190-M193 WeakPolarHBondContact O-CB 3.27Å; Y190-M193 PolarHBondContact O-N 2.86Å; Y190-M193 VanDerWaalsContact O-N 3.11Å; M193-I196 PolarHBondContact O-N 3.43Å; M193-R197 VanDerWaalsContact O-CB 3.31Å; M193-R197 WeakPolarHBondContact O-CB 3.35Å; M193-R197 PolarHBondContact O-N 3.16Å; M193-L238 HydrophobicContact CB-CD1 4.1Å; M193-L238 HydrophobicContact CB-CD2 3.96Å; M193-L238 HydrophobicContact CG-CD2 4.23Å
194Y88.9Confident86.1Confident77 Ų7772 Ų7230%0.30238%0.382SS..Hα-helixtrans-67.4-41.5177.6-80.8-76.8000112.2V183 Y190 E191 I192 I196 R197 D198V183-Y194 HydrophobicContact CB-CE2 4.48Å; V183-Y194 HydrophobicContact CG1-CE2 4.13Å; V183-Y194 HydrophobicContact CG2-CD2 4.39Å; V183-Y194 HydrophobicContact CG2-CE2 3.7Å; Y190-Y194 HydrophobicContact CD2-CD2 4.28Å; Y190-Y194 VanDerWaalsContact O-CD2 3.24Å; Y190-Y194 WeakPolarHBondContact O-CD2 3.29Å; Y190-Y194 PolarHBondContact O-N 3.17Å; E191-Y194 PolarHBondContact O-N 3.13Å; I192-Y194 PolarHBondContact O-N 2.73Å; Y194-I196 VanDerWaalsContact C-N 3.33Å; Y194-I196 PolarHBondContact O-N 2.95Å; Y194-R197 PolarHBondContact O-N 2.67Å; Y194-D198 WeakPolarHBondContact O-CB 3.44Å; Y194-D198 PolarHBondContact O-N 2.77Å
195M91.9Very high87.3Confident67 Ų6773.6 Ų73.633%0.3338%0.383SS..Hα-helixtrans-59.2-42.7173.9-67.5176.7-163.600112E191 I192 F199 R262 L264E191-M195 HydrophobicContact CB-CE 4.44Å; E191-M195 WeakPolarHBondContact O-CG 3.43Å; E191-M195 PolarHBondContact O-N 3.44Å; I192-M195 PolarHBondContact O-N 2.89Å; M195-F199 VanDerWaalsContact O-CB 3.3Å; M195-F199 WeakPolarHBondContact O-CB 3.45Å; M195-F199 PolarHBondContact O-N 3.32Å; M195-R262 HydrophobicContact CE-CB 4.36Å; M195-L264 HydrophobicContact CB-CD1 3.63Å; M195-L264 HydrophobicContact CB-CG 3.93Å; M195-L264 HydrophobicContact SD-CG 4.4Å
196I94.2Very high88.5Confident7 Ų777.1 Ų77.14%0.03639%0.385CS..Hα-helixtrans-67.2-40.9176.9-67.6169.5000110.7I192 M193 Y194 F199 R200 V240 H252 L264I192-I196 HydrophobicContact CG2-CD1 3.84Å; I192-I196 HydrophobicContact CG2-CG1 4.49Å; I192-I196 VanDerWaalsContact O-CG1 3.28Å; I192-I196 WeakPolarHBondContact O-CG1 3.33Å; I192-I196 PolarHBondContact O-N 3.19Å; M193-I196 PolarHBondContact O-N 3.43Å; Y194-I196 VanDerWaalsContact C-N 3.33Å; Y194-I196 PolarHBondContact O-N 2.95Å; I196-F199 PolarHBondContact O-N 2.75Å; I196-R200 HydrophobicContact CG2-CG 4.32Å; I196-R200 WeakPolarHBondContact O-CB 3.37Å; I196-R200 VanDerWaalsContact O-CG 3.26Å; I196-R200 WeakPolarHBondContact O-CG 3.31Å; I196-R200 PolarHBondContact O-N 3.28Å; I196-V240 HydrophobicContact CD1-CG1 3.94Å; I196-H252 HydrophobicContact CD1-CB 4.06Å; I196-H252 HydrophobicContact CG1-CB 3.86Å; I196-L264 HydrophobicContact CD1-CD2 4.47Å; I196-L264 HydrophobicContact CG1-CD1 3.7Å; I196-L264 HydrophobicContact CG1-CD2 4.05Å
197R93.3Very high89.4Confident147 Ų14775.1 Ų75.156%0.55537%0.373SS*.Hα-helixtrans-62.6-49.3178.3-179.3-178.8179.5179.4-0.7112M193 Y194 F199 R200 A201M193-R197 VanDerWaalsContact O-CB 3.31Å; M193-R197 WeakPolarHBondContact O-CB 3.35Å; M193-R197 PolarHBondContact O-N 3.16Å; Y194-R197 PolarHBondContact O-N 2.67Å; R197-F199 VanDerWaalsContact C-N 3.33Å; R197-R200 PolarHBondContact O-N 2.79Å; R197-A201 WeakPolarHBondContact O-CB 3.27Å; R197-A201 PolarHBondContact O-N 3.23Å
198D91.8Very high90.4Very high102 Ų10273.6 Ų73.655%0.54537%0.366SS..Hα-helixtrans-66.3-36.9179.7-75.94.1000111Y194 A201Y194-D198 WeakPolarHBondContact O-CB 3.44Å; Y194-D198 PolarHBondContact O-N 2.77Å; D198-A201 PolarHBondContact O-N 3.2Å
199F93.5Very high91.3Very high55 Ų5573.2 Ų73.224%0.24136%0.362CS..Hα-helixtrans-64.1-49172.8-170-90.2000111.8M195 I196 R197 A201 S202 L203 M250 H252 N266M195-F199 VanDerWaalsContact O-CB 3.3Å; M195-F199 WeakPolarHBondContact O-CB 3.45Å; M195-F199 PolarHBondContact O-N 3.32Å; I196-F199 PolarHBondContact O-N 2.75Å; R197-F199 VanDerWaalsContact C-N 3.33Å; F199-A201 VanDerWaalsContact C-N 3.28Å; F199-A201 PolarHBondContact O-N 3.46Å; F199-S202 WeakPolarHBondContact O-CB 3.43Å; F199-S202 PolarHBondContact O-N 2.82Å; F199-S202 PolarHBondContact O-OG 2.81Å; F199-L203 HydrophobicContact CD1-CD1 4.18Å; F199-L203 HydrophobicContact CD1-CG 4.43Å; F199-L203 HydrophobicContact CE1-CD1 4.03Å; F199-L203 HydrophobicContact CE1-CD2 3.9Å; F199-L203 HydrophobicContact CE1-CG 4.26Å; F199-L203 HydrophobicContact CZ-CD2 4.37Å; F199-M250 HydrophobicContact CE1-CE 3.72Å; F199-M250 HydrophobicContact CE1-SD 4.13Å; F199-M250 HydrophobicContact CZ-CE 3.74Å; F199-H252 AromaticContact CD1-CE1 3.41Å; F199-H252 VanDerWaalsContact CD1-CE1 3.41Å; F199-H252 WeakPolarHBondContact CD1-CE1 3.3Å; F199-H252 AromaticContact CE1-CE1 3.62Å; F199-N266 WeakPolarHBondContact CE2-ND2 3.33Å; F199-N266 HydrophobicContact CZ-CB 4.34Å
200R95.3Very high91.7Very high58 Ų5874.5 Ų74.522%0.21937%0.372CS..Hα-helixtrans-58.4-38.3177-77.2175.2172.1-171.3-8112.4I196 R197 S202 L203 D239 I241 T242I196-R200 HydrophobicContact CG2-CG 4.32Å; I196-R200 WeakPolarHBondContact O-CB 3.37Å; I196-R200 VanDerWaalsContact O-CG 3.26Å; I196-R200 WeakPolarHBondContact O-CG 3.31Å; I196-R200 PolarHBondContact O-N 3.28Å; R197-R200 PolarHBondContact O-N 2.79Å; R200-S202 PolarHBondContact O-N 3.22Å; R200-S202 VanDerWaalsContact O-N 3.16Å; R200-L203 PolarHBondContact O-N 2.79Å; R200-L203 VanDerWaalsContact O-N 3.15Å; R200-D239 IonicContact CZ-OD2 2.8Å; R200-D239 VanDerWaalsContact CZ-OD2 3.24Å; R200-D239 IonicContact NH1-OD2 2.92Å; R200-D239 PolarHBondContact NH1-OD2 3.44Å; R200-D239 VanDerWaalsContact NH2-CG 3.31Å; R200-D239 PolarHBondContact NH2-O 2.76Å; R200-D239 IonicContact NH2-OD1 2.64Å; R200-D239 IonicContact NH2-OD2 2.9Å; R200-D239 PolarHBondContact NH2-OD2 3.48Å; R200-I241 PolarHBondContact NH2-O 2.84Å; R200-T242 HydrophobicContact CG-CG2 4.37Å; R200-T242 PolarHBondContact NE-OG1 3.12Å; R200-T242 PolarHBondContact NH2-OG1 3.38Å
201A94.3Very high92.1Very high88 Ų8875.3 Ų75.373%0.72739%0.394SS*.THydrogen-bonded Turntrans-64.9-13.4176.700000114.3R197 D198 F199R197-A201 WeakPolarHBondContact O-CB 3.27Å; R197-A201 PolarHBondContact O-N 3.23Å; D198-A201 PolarHBondContact O-N 3.2Å; F199-A201 VanDerWaalsContact C-N 3.28Å; F199-A201 PolarHBondContact O-N 3.46Å
202S93.1Very high92.4Very high89 Ų8973.4 Ų73.462%0.62239%0.386SS*.THydrogen-bonded Turntrans-94.6-6175.576.50000114.8F199 R200F199-S202 WeakPolarHBondContact O-CB 3.43Å; F199-S202 PolarHBondContact O-N 2.82Å; F199-S202 PolarHBondContact O-OG 2.81Å; R200-S202 PolarHBondContact O-N 3.22Å; R200-S202 VanDerWaalsContact O-N 3.16Å
203L93.7Very high92.5Very high42 Ų4278.3 Ų78.322%0.2242%0.417CS..  trans-90.2142.3-175.3-60.1176.7000112.6F199 R200 Y205 T242 P244 M250F199-L203 HydrophobicContact CD1-CD1 4.18Å; F199-L203 HydrophobicContact CD1-CG 4.43Å; F199-L203 HydrophobicContact CE1-CD1 4.03Å; F199-L203 HydrophobicContact CE1-CD2 3.9Å; F199-L203 HydrophobicContact CE1-CG 4.26Å; F199-L203 HydrophobicContact CZ-CD2 4.37Å; R200-L203 PolarHBondContact O-N 2.79Å; R200-L203 VanDerWaalsContact O-N 3.15Å; L203-Y205 HydrophobicContact CB-CD2 4.28Å; L203-Y205 HydrophobicContact CB-CE2 3.82Å; L203-Y205 WeakPolarHBondContact O-CD2 3.45Å; L203-T242 HydrophobicContact CD1-CG2 3.76Å; L203-P244 HydrophobicContact CD1-CB 4.36Å; L203-M250 HydrophobicContact CD1-SD 4.11Å; L203-M250 HydrophobicContact CD2-SD 4.25Å
204D93.3Very high92.5Very high102 Ų10277.4 Ų77.455%0.54541%0.413SS..  trans-87.7124.5166.2-178.314.2000109.6R206D204-R206 IonicContact OD1-NE 3.67Å; D204-R206 IonicContact OD2-CZ 2.69Å; D204-R206 IonicContact OD2-NE 3.21Å; D204-R206 PolarHBondContact OD2-NE 3Å; D204-R206 IonicContact OD2-NH2 2.98Å; D204-R206 PolarHBondContact OD2-NH2 3.34Å
205Y93Very high92.3Very high108 Ų10879.2 Ų79.242%0.42442%0.424SS..  trans-103.1113.5-172.4-79.1-91.8000111.5L203 T242 P244L203-Y205 HydrophobicContact CB-CD2 4.28Å; L203-Y205 HydrophobicContact CB-CE2 3.82Å; L203-Y205 WeakPolarHBondContact O-CD2 3.45Å; Y205-T242 HydrophobicContact CE1-CG2 4.06Å; Y205-T242 WeakPolarHBondContact OH-CG2 3.32Å; Y205-P244 CarbonylContact C-O 3.58Å; Y205-P244 WeakPolarHBondContact CA-O 3.43Å
206R93.6Very high91.7Very high174 Ų17482.5 Ų82.566%0.65744%0.438SS*.BIsolated β-bridgetrans-130.663179.1-54.7-174.4-168.7-169.54.4110.3D204 P244 S245 K246D204-R206 IonicContact OD1-NE 3.67Å; D204-R206 IonicContact OD2-CZ 2.69Å; D204-R206 IonicContact OD2-NE 3.21Å; D204-R206 PolarHBondContact OD2-NE 3Å; D204-R206 IonicContact OD2-NH2 2.98Å; D204-R206 PolarHBondContact OD2-NH2 3.34Å; R206-P244 CarbonylContact C-O 3.51Å; R206-P244 PolarHBondContact N-O 3.07Å; R206-S245 WeakPolarHBondContact O-CA 3.39Å; R206-K246 PolarHBondContact O-N 2.72Å
207P90.5Very high91Very high59 Ų5985 Ų8538%0.38345%0.449SS..  trans-62.3159-175.428.2-36.5000112.3T209P207-T209 PolarHBondContact O-N 2.64Å
208L92.6Very high90.5Very high12 Ų1284.2 Ų84.26%0.06345%0.447CS..  trans-61.1130.1177.518060.7000111.2D212 K246 Y273 F275 F287L208-D212 HydrophobicContact CD1-CB 3.7Å; L208-K246 HydrophobicContact CB-CB 3.65Å; L208-K246 HydrophobicContact CD1-CB 3.86Å; L208-K246 HydrophobicContact CD1-CD 4.06Å; L208-K246 HydrophobicContact CG-CB 4.3Å; L208-Y273 HydrophobicContact CD1-CD1 4.1Å; L208-Y273 HydrophobicContact CD2-CD1 3.94Å; L208-Y273 HydrophobicContact CD2-CG 4.41Å; L208-F275 HydrophobicContact CD2-CD1 3.75Å; L208-F275 HydrophobicContact CD2-CE1 3.41Å; L208-F275 VanDerWaalsContact CD2-CE1 3.41Å; L208-F275 HydrophobicContact CD2-CZ 4.28Å; L208-F287 HydrophobicContact CD1-CE1 4.17Å; L208-F287 HydrophobicContact CD1-CE2 4.07Å; L208-F287 HydrophobicContact CD1-CZ 3.88Å; L208-F287 HydrophobicContact CD2-CD2 3.87Å; L208-F287 HydrophobicContact CD2-CE2 4.04Å; L208-F287 HydrophobicContact CD2-CG 4.29Å; L208-F287 HydrophobicContact CG-CD2 4.4Å; L208-F287 HydrophobicContact CG-CE2 4.05Å; L208-F287 HydrophobicContact CG-CZ 4.37Å
209T93.4Very high90.2Very high62 Ų6280.6 Ų80.638%0.3843%0.427SS..  trans-111.3166.3179.273.80000111.5P207 A211 D212 F287P207-T209 PolarHBondContact O-N 2.64Å; T209-A211 PolarHBondContact O-N 3.07Å; T209-A211 PolarHBondContact OG1-N 3.44Å; T209-D212 PolarHBondContact N-OD2 2.6Å; T209-D212 PolarHBondContact O-N 2.91Å; T209-D212 PolarHBondContact OG1-N 3.13Å; T209-D212 PolarHBondContact OG1-OD2 2.84Å; T209-F287 VanDerWaalsContact O-CZ 3.26Å; T209-F287 WeakPolarHBondContact O-CZ 3.47Å
210T91.1Very high90.1Very high81 Ų8178.7 Ų78.750%0.49742%0.421SS..THydrogen-bonded Turntrans-70.9-12.6169.251.60000113.3M283 R286T210-M283 HydrophobicContact CG2-CE 4.27Å; T210-R286 VanDerWaalsContact O-CZ 3.25Å; T210-R286 PolarHBondContact O-NE 3.35Å; T210-R286 PolarHBondContact O-NH2 2.82Å
211A90.8Very high90.1Very high92 Ų9276 Ų7676%0.7641%0.41SS*.THydrogen-bonded Turntrans-84.6-13.9177.500000113.3T209T209-A211 PolarHBondContact O-N 3.07Å; T209-A211 PolarHBondContact OG1-N 3.44Å
212D92.1Very high90.2Very high37 Ų3771.8 Ų71.820%0.19838%0.376CS..SBendtrans-62141.3176.3-79.3-85.5000112.6L208 T209 K246 F287L208-D212 HydrophobicContact CD1-CB 3.7Å; T209-D212 PolarHBondContact N-OD2 2.6Å; T209-D212 PolarHBondContact O-N 2.91Å; T209-D212 PolarHBondContact OG1-N 3.13Å; T209-D212 PolarHBondContact OG1-OD2 2.84Å; D212-K246 WeakPolarHBondContact OD1-CD 3.36Å; D212-K246 WeakPolarHBondContact OD1-CE 3.49Å; D212-K246 IonicContact OD1-NZ 3.16Å; D212-K246 PolarHBondContact OD1-NZ 2.88Å; D212-F287 HydrophobicContact CB-CE1 4.12Å; D212-F287 HydrophobicContact CB-CZ 3.98Å
213V91.1Very high90.4Very high112 Ų11267.5 Ų67.568%0.67935%0.346SS*.  trans-68.5140.6174.4-1780000109.4
214I91.4Very high90.7Very high55 Ų5566.8 Ų66.828%0.28234%0.34SS..  trans-88.2113.9173.2-55.6172.8000108Y273 R286 F287 P291I214-Y273 WeakPolarHBondContact CA-OH 3.31Å; I214-R286 HydrophobicContact CD1-CG 4.46Å; I214-R286 WeakPolarHBondContact CD1-O 3.22Å; I214-F287 HydrophobicContact CG1-CD1 3.71Å; I214-F287 HydrophobicContact CG1-CE1 3.74Å; I214-P291 HydrophobicContact CG2-CG 3.74Å
215E85.2Confident90.9Very high115 Ų11562.4 Ų62.454%0.53732%0.316SS..  trans-80.3142.5172.7-64.6179.4-148.800111.3H217 Y273E215-H217 IonicContact OE2-CE1 3.82Å; E215-Y273 PolarHBondContact N-OH 2.87Å
216E78.2Confident91.1Very high136 Ų13659 Ų5964%0.63630%0.302SS*.  trans-94.6116.7-177.9-67.5-123.297.100111.2R518E216-R518 IonicContact OE1-CZ 2.74Å; E216-R518 IonicContact OE1-NH1 3.21Å; E216-R518 PolarHBondContact OE1-NH1 3.34Å; E216-R518 IonicContact OE1-NH2 3.75Å; E216-R518 PolarHBondContact OE1-NH2 3.24Å; E216-R518 IonicContact OE2-NH1 3.79Å
217H80.9Confident91.3Very high58 Ų5854.3 Ų54.327%0.26930%0.295SS..  trans-123.8156.5172.8-58.5-0.8000111E215 I219 D272 R518E215-H217 IonicContact OE2-CE1 3.82Å; H217-I219 WeakPolarHBondContact CB-O 3.28Å; H217-D272 VanDerWaalsContact CD2-CG 3.49Å; H217-D272 IonicContact CD2-OD1 3.79Å; H217-D272 IonicContact CD2-OD2 2.67Å; H217-D272 PolarHBondContact CD2-OD2 2.85Å; H217-D272 IonicContact NE2-OD1 3.13Å; H217-R518 PolarHBondContact O-NE 3.08Å; H217-R518 VanDerWaalsContact O-NE 3.12Å; H217-R518 PolarHBondContact O-NH2 2.93Å
218R81.8Confident91.5Very high131 Ų13153.4 Ų53.449%0.49429%0.286SS..SBendtrans-75.4-43.1171.7-173-177.9-176.3-168.51.6111.5G514 S517 R518 T519R218-G514 PolarHBondContact NH2-O 3.5Å; R218-S517 WeakPolarHBondContact CG-O 3.45Å; R218-S517 PolarHBondContact NE-O 2.67Å; R218-R518 WeakPolarHBondContact O-CA 3.39Å; R218-T519 PolarHBondContact O-N 2.96Å
219I85.7Confident91.4Very high27 Ų2755.9 Ų55.914%0.13830%0.3CS..EExtended strand (participates in β ladder)trans-116.3116.3168.8-60.3175.8000106H217 V221 T519 V545 F548H217-I219 WeakPolarHBondContact CB-O 3.28Å; I219-V221 HydrophobicContact CG2-CG2 4.1Å; I219-T519 CarbonylContact C-O 3.59Å; I219-T519 WeakPolarHBondContact CA-O 3.37Å; I219-V545 HydrophobicContact CG2-CG1 4.03Å; I219-F548 HydrophobicContact CD1-CB 4.12Å
220C91.8Very high91.4Very high15 Ų1561.7 Ų61.710%0.10132%0.32CS..EExtended strand (participates in β ladder)trans-102.6134.5171.8-177.20000109.9C222 D272 T519 C520 M521C220-C222 VanDerWaalsContact SG-SG 3.61Å; C220-D272 WeakPolarHBondContact CA-OD2 3.12Å; C220-D272 PolarHBondContact SG-OD2 3.49Å; C220-T519 PolarHBondContact N-O 2.83Å; C220-C520 HydrophobicContact CB-CB 4.39Å; C220-C520 CarbonylContact O-C 3.57Å; C220-C520 VanDerWaalsContact O-CA 3.31Å; C220-C520 WeakPolarHBondContact O-CA 3.14Å; C220-M521 PolarHBondContact O-N 2.94Å
221V94.1Very high91.3Very high0 Ų065.3 Ų65.30%033%0.329CS..EExtended strand (participates in β ladder)trans-126.6116178.4-172.20000110I219 F271 D272 M521 A542 V545 K546I219-V221 HydrophobicContact CG2-CG2 4.1Å; V221-F271 HydrophobicContact CG1-CD1 3.89Å; V221-F271 HydrophobicContact CG1-CE1 4.23Å; V221-D272 PolarHBondContact N-OD2 2.86Å; V221-D272 PolarHBondContact O-N 2.86Å; V221-M521 HydrophobicContact CG1-CB 4.38Å; V221-M521 HydrophobicContact CG1-CG 4.4Å; V221-M521 HydrophobicContact CG1-SD 4.21Å; V221-M521 HydrophobicContact CG2-CB 4.42Å; V221-A542 HydrophobicContact CG1-CB 3.91Å; V221-V545 HydrophobicContact CG2-CB 4.02Å; V221-V545 HydrophobicContact CG2-CG1 3.67Å; V221-K546 HydrophobicContact CB-CB 4.12Å; V221-K546 HydrophobicContact CG2-CB 4.07Å
222C96.8Very high91.4Very high0 Ų061.5 Ų61.50%030%0.295CS..EExtended strand (participates in β ladder)trans-116.6154.3-179.8-55.30000111.3C220 Y273 F275 T288 M521 A523C220-C222 VanDerWaalsContact SG-SG 3.61Å; C222-Y273 CarbonylContact C-O 3.52Å; C222-Y273 WeakPolarHBondContact CA-O 3.4Å; C222-Y273 WeakPolarHBondContact CB-O 3.36Å; C222-F275 HydrophobicContact CB-CD2 4.4Å; C222-F275 HydrophobicContact CB-CE2 3.77Å; C222-T288 HydrophobicContact CB-CG2 4.06Å; C222-M521 PolarHBondContact N-O 2.94Å; C222-A523 PolarHBondContact O-N 3.27Å
223V98.4Very high91.3Very high0 Ų064.7 Ų64.70%031%0.312CS..EExtended strand (participates in β ladder)trans-117.2141.2169.2171.70000110.1V249 F271 Y273 F275 A523 I525 L539V223-V249 HydrophobicContact CB-CG2 3.87Å; V223-V249 HydrophobicContact CG1-CG1 4.44Å; V223-V249 HydrophobicContact CG1-CG2 3.82Å; V223-V249 HydrophobicContact CG2-CG2 4.28Å; V223-F271 HydrophobicContact CB-CD2 4.17Å; V223-F271 HydrophobicContact CB-CE2 4.47Å; V223-F271 HydrophobicContact CB-CG 4.48Å; V223-F271 HydrophobicContact CG2-CD1 3.92Å; V223-F271 HydrophobicContact CG2-CD2 3.42Å; V223-F271 VanDerWaalsContact CG2-CD2 3.42Å; V223-F271 HydrophobicContact CG2-CE1 3.95Å; V223-F271 HydrophobicContact CG2-CE2 3.43Å; V223-F271 VanDerWaalsContact CG2-CE2 3.43Å; V223-F271 HydrophobicContact CG2-CG 3.67Å; V223-F271 HydrophobicContact CG2-CZ 3.71Å; V223-Y273 PolarHBondContact N-O 3.01Å; V223-F275 VanDerWaalsContact O-CD2 3.3Å; V223-F275 WeakPolarHBondContact O-CD2 3.37Å; V223-F275 PolarHBondContact O-N 3.5Å; V223-A523 CarbonylContact C-O 3.56Å; V223-A523 VanDerWaalsContact CA-O 3.29Å; V223-A523 WeakPolarHBondContact CA-O 3.46Å; V223-A523 HydrophobicContact CG2-CB 3.99Å; V223-I525 HydrophobicContact CG1-CD1 3.64Å; V223-I525 HydrophobicContact CG1-CG1 4Å; V223-I525 HydrophobicContact CG1-CG2 4.45Å; V223-L539 HydrophobicContact CB-CD2 4.43Å; V223-L539 HydrophobicContact CG1-CD2 3.93Å; V223-L539 HydrophobicContact CG2-CD2 3.62Å
224R98.5Very high91.4Very high27 Ų2765.1 Ų65.110%0.10232%0.315CS..EExtended strand (participates in β ladder)trans-125.2115171.7-176.3-175.6-166.7-179.69.1111.1F275 S279 N281 V284 T317 I522 A523 T524 I525R224-F275 HydrophobicContact CB-CB 4.19Å; R224-F275 HydrophobicContact CB-CD2 4.29Å; R224-F275 HydrophobicContact CG-CB 4.08Å; R224-S279 PolarHBondContact NH2-O 2.94Å; R224-N281 PolarHBondContact NH1-OD1 2.77Å; R224-N281 PolarHBondContact NH2-OD1 3.33Å; R224-V284 HydrophobicContact CG-CG2 4.37Å; R224-T317 PolarHBondContact NH1-OG1 2.79Å; R224-I522 HydrophobicContact CB-CG2 4.42Å; R224-A523 PolarHBondContact N-O 2.89Å; R224-T524 HydrophobicContact CB-CG2 4.36Å; R224-T524 WeakPolarHBondContact O-CA 3.41Å; R224-I525 PolarHBondContact O-N 2.91Å
225K98.4Very high91.3Very high10 Ų1068.4 Ų68.44%0.04333%0.33CS..EExtended strand (participates in β ladder)trans-71.9140162.3-173.4-172.9-179.8-170.60108.9D239 I241 I243 F275 D277 I525 P527K225-D239 WeakPolarHBondContact CE-OD1 3.43Å; K225-D239 IonicContact NZ-OD1 3.8Å; K225-D239 PolarHBondContact NZ-OD1 3.09Å; K225-D239 IonicContact NZ-OD2 2.79Å; K225-D239 PolarHBondContact NZ-OD2 3.28Å; K225-I241 HydrophobicContact CD-CB 4.24Å; K225-I241 HydrophobicContact CD-CG2 3.98Å; K225-I241 VanDerWaalsContact CE-O 3.32Å; K225-I241 WeakPolarHBondContact CE-O 3.29Å; K225-I241 HydrophobicContact CG-CG2 4.15Å; K225-I241 PolarHBondContact NZ-O 3Å; K225-I243 HydrophobicContact CB-CD1 3.84Å; K225-F275 PolarHBondContact N-O 3.36Å; K225-D277 HydrophobicContact CD-CB 4.06Å; K225-D277 WeakPolarHBondContact CE-OD2 3.36Å; K225-D277 HydrophobicContact CG-CB 4.25Å; K225-D277 IonicContact NZ-OD2 2.98Å; K225-D277 PolarHBondContact NZ-OD2 3.48Å; K225-I525 HydrophobicContact CB-CG1 4.44Å; K225-P527 HydrophobicContact CG-CB 4.4Å
226R97Very high91.5Very high35 Ų3567.4 Ų67.413%0.13232%0.324CS..PPolyproline II helixtrans-101.3157161.864.9157178.281.13.5110.2E232 G311 I525 S526 P527R226-E232 IonicContact CZ-OE1 3.53Å; R226-E232 IonicContact CZ-OE2 2.67Å; R226-E232 IonicContact NH1-OE1 3.16Å; R226-E232 PolarHBondContact NH1-OE1 2.82Å; R226-E232 IonicContact NH1-OE2 2.82Å; R226-E232 PolarHBondContact NH1-OE2 2.84Å; R226-E232 IonicContact NH2-OE1 3.05Å; R226-E232 PolarHBondContact NH2-OE1 3.4Å; R226-E232 IonicContact NH2-OE2 3.53Å; R226-G311 WeakPolarHBondContact CD-O 3.43Å; R226-G311 PolarHBondContact NE-O 3.34Å; R226-I525 PolarHBondContact N-O 3.28Å; R226-S526 PolarHBondContact NH2-OG 3.06Å; R226-P527 WeakPolarHBondContact O-CD 3.4Å; R226-P527 VanDerWaalsContact O-CG 3.25Å; R226-P527 WeakPolarHBondContact O-CG 3.39Å
227P96.9Very high92.2Very high77 Ų7761.7 Ų61.750%0.530%0.298SS..PPolyproline II helixtrans-62.6159.816925.4-34.3000112.2N229 D277P227-N229 PolarHBondContact O-N 3.31Å; P227-D277 HydrophobicContact CB-CB 4.06Å
228L95.4Very high92.8Very high39 Ų3959.9 Ų59.920%0.20429%0.29CS..PPolyproline II helixtrans-59.6134.3166.6-75.4167000109.3E232 L233 D239 P527L228-E232 WeakPolarHBondContact CA-OE2 3.28Å; L228-E232 HydrophobicContact CD2-CB 3.79Å; L228-E232 HydrophobicContact CD2-CG 4.42Å; L228-L233 HydrophobicContact CB-CD2 3.87Å; L228-L233 HydrophobicContact CB-CG 4.01Å; L228-L233 HydrophobicContact CD1-CD2 3.92Å; L228-D239 HydrophobicContact CD1-CB 3.91Å; L228-D239 HydrophobicContact CG-CB 4.42Å; L228-P527 HydrophobicContact CB-CG 4.46Å; L228-P527 HydrophobicContact CD2-CB 4.4Å; L228-P527 HydrophobicContact CD2-CG 3.75Å; L228-P527 HydrophobicContact CG-CB 4.41Å; L228-P527 HydrophobicContact CG-CG 3.83Å
229N91.4Very high93.6Very high65 Ų6555 Ų5535%0.34827%0.274SS..PPolyproline II helixtrans-88.9164.9178.984.272.4000111.3P227 K231 E232 L233P227-N229 PolarHBondContact O-N 3.31Å; N229-K231 PolarHBondContact O-N 2.92Å; N229-K231 VanDerWaalsContact O-N 3.11Å; N229-K231 WeakPolarHBondContact OD1-CB 3.27Å; N229-K231 PolarHBondContact OD1-N 2.98Å; N229-E232 PolarHBondContact N-OE2 3.32Å; N229-E232 WeakPolarHBondContact ND2-CG 3.47Å; N229-E232 PolarHBondContact ND2-OE1 2.8Å; N229-E232 VanDerWaalsContact ND2-OE1 3.17Å; N229-E232 PolarHBondContact ND2-OE2 3.49Å; N229-E232 PolarHBondContact O-N 2.88Å; N229-L233 PolarHBondContact O-N 2.85Å
230K91.4Very high94.1Very high183 Ų18353.7 Ų53.780%0.79627%0.267SS*.Hα-helixtrans-54.2-35.4-175.5-67.6-172.1177.3-174.80114T234K230-T234 PolarHBondContact O-N 3.06Å; K230-T234 PolarHBondContact O-OG1 2.82Å
231K89.1Confident94.4Very high158 Ų15853 Ų5369%0.68726%0.263SS*.Hα-helixtrans-69.2-44.6177.7-63-171.6175.1-168.80111.9N229 L233 T234 M235N229-K231 PolarHBondContact O-N 2.92Å; N229-K231 VanDerWaalsContact O-N 3.11Å; N229-K231 WeakPolarHBondContact OD1-CB 3.27Å; N229-K231 PolarHBondContact OD1-N 2.98Å; K231-L233 VanDerWaalsContact C-N 3.31Å; K231-L233 PolarHBondContact O-N 3.11Å; K231-T234 PolarHBondContact O-N 3.41Å; K231-M235 VanDerWaalsContact O-CG 3.31Å; K231-M235 WeakPolarHBondContact O-CG 3.37Å; K231-M235 PolarHBondContact O-N 3.33Å
232E92.8Very high94.6Very high12 Ų1253.2 Ų53.26%0.05626%0.264CS..Hα-helixtrans-60.6-43.9177.9-68.4162.6168.200110.4R226 L228 N229 M235 K236 D237R226-E232 IonicContact CZ-OE1 3.53Å; R226-E232 IonicContact CZ-OE2 2.67Å; R226-E232 IonicContact NH1-OE1 3.16Å; R226-E232 PolarHBondContact NH1-OE1 2.82Å; R226-E232 IonicContact NH1-OE2 2.82Å; R226-E232 PolarHBondContact NH1-OE2 2.84Å; R226-E232 IonicContact NH2-OE1 3.05Å; R226-E232 PolarHBondContact NH2-OE1 3.4Å; R226-E232 IonicContact NH2-OE2 3.53Å; L228-E232 WeakPolarHBondContact CA-OE2 3.28Å; L228-E232 HydrophobicContact CD2-CB 3.79Å; L228-E232 HydrophobicContact CD2-CG 4.42Å; N229-E232 PolarHBondContact N-OE2 3.32Å; N229-E232 WeakPolarHBondContact ND2-CG 3.47Å; N229-E232 PolarHBondContact ND2-OE1 2.8Å; N229-E232 VanDerWaalsContact ND2-OE1 3.17Å; N229-E232 PolarHBondContact ND2-OE2 3.49Å; N229-E232 PolarHBondContact O-N 2.88Å; E232-M235 CarbonylContact O-C 3.58Å; E232-M235 PolarHBondContact O-N 3.33Å; E232-K236 PolarHBondContact O-N 2.99Å; E232-D237 HydrophobicContact CB-CB 4.11Å; E232-D237 PolarHBondContact O-N 3.25Å
233L91.6Very high94.7Very high104 Ų10453.9 Ų53.955%0.54527%0.267SS..Hα-helixtrans-62.4-43.1174.2-64.9170.5000112.6L228 N229 K231 M235 K236L228-L233 HydrophobicContact CB-CD2 3.87Å; L228-L233 HydrophobicContact CB-CG 4.01Å; L228-L233 HydrophobicContact CD1-CD2 3.92Å; N229-L233 PolarHBondContact O-N 2.85Å; K231-L233 VanDerWaalsContact C-N 3.31Å; K231-L233 PolarHBondContact O-N 3.11Å; L233-M235 VanDerWaalsContact C-N 3.29Å; L233-M235 PolarHBondContact O-N 3.23Å; L233-K236 PolarHBondContact O-N 3.4Å
234T92.5Very high94.5Very high121 Ų12154.4 Ų54.474%0.74227%0.271SS*.Hα-helixtrans-62.6-34.4174.4-640000112.5K230 K231 K236K230-T234 PolarHBondContact O-N 3.06Å; K230-T234 PolarHBondContact O-OG1 2.82Å; K231-T234 PolarHBondContact O-N 3.41Å; T234-K236 VanDerWaalsContact C-N 3.25Å; T234-K236 PolarHBondContact O-N 2.91Å
235M89.7Confident94.4Very high123 Ų12354.3 Ų54.361%0.60627%0.274SS*.THydrogen-bonded Turntrans-82.24.3177.5-64.6-177.4-50.100113.7K231 E232 L233 D237K231-M235 VanDerWaalsContact O-CG 3.31Å; K231-M235 WeakPolarHBondContact O-CG 3.37Å; K231-M235 PolarHBondContact O-N 3.33Å; E232-M235 CarbonylContact O-C 3.58Å; E232-M235 PolarHBondContact O-N 3.33Å; L233-M235 VanDerWaalsContact C-N 3.29Å; L233-M235 PolarHBondContact O-N 3.23Å; M235-D237 PolarHBondContact O-N 3.45Å
236K89.2Confident94.2Very high95 Ų9556.7 Ų56.741%0.41329%0.285SS..THydrogen-bonded Turntrans53.632-171.8-59.9-177.8177.9-1750113.3T186 P188 E232 L233 T234T186-K236 PolarHBondContact O-NZ 3.14Å; P188-K236 HydrophobicContact CG-CB 4.46Å; P188-K236 HydrophobicContact CG-CD 4.38Å; E232-K236 PolarHBondContact O-N 2.99Å; L233-K236 PolarHBondContact O-N 3.4Å; T234-K236 VanDerWaalsContact C-N 3.25Å; T234-K236 PolarHBondContact O-N 2.91Å
237D92.9Very high94.1Very high15 Ų1556.7 Ų56.78%0.0829%0.287CS..  trans-67139.5177.1-165.95.4000110.8E232 M235 G528 M529 T530E232-D237 HydrophobicContact CB-CB 4.11Å; E232-D237 PolarHBondContact O-N 3.25Å; M235-D237 PolarHBondContact O-N 3.45Å; D237-G528 WeakPolarHBondContact OD2-CA 3Å; D237-M529 VanDerWaalsContact OD1-CB 3.3Å; D237-M529 WeakPolarHBondContact OD1-CB 3.46Å; D237-M529 PolarHBondContact OD1-N 3.48Å; D237-T530 PolarHBondContact OD1-N 2.99Å; D237-T530 WeakPolarHBondContact OD2-CB 3.35Å; D237-T530 WeakPolarHBondContact OD2-CG2 3.24Å; D237-T530 PolarHBondContact OD2-OG1 3.22Å
238L93.9Very high94.1Very high20 Ų2053.9 Ų53.911%0.10527%0.269CS..  trans-91.4136.9-172.1-60.5-177.5000111.2N189 I192 M193 V240 G528 M529N189-L238 HydrophobicContact CB-CD1 3.87Å; I192-L238 HydrophobicContact CB-CD1 4.12Å; I192-L238 HydrophobicContact CG2-CD1 3.89Å; M193-L238 HydrophobicContact CB-CD1 4.1Å; M193-L238 HydrophobicContact CB-CD2 3.96Å; M193-L238 HydrophobicContact CG-CD2 4.23Å; L238-V240 PolarHBondContact O-N 2.7Å; L238-G528 CarbonylContact O-C 3.55Å; L238-G528 WeakPolarHBondContact O-CA 3.19Å; L238-M529 HydrophobicContact CB-CB 4.27Å; L238-M529 HydrophobicContact CD1-SD 4.25Å; L238-M529 PolarHBondContact O-N 3.05Å
239D97.1Very high94.2Very high29 Ų2952 Ų5216%0.15526%0.259CS..BIsolated β-bridgetrans-76.5103170.8169.935.3000110.9R200 K225 L228 I241 P527R200-D239 IonicContact CZ-OD2 2.8Å; R200-D239 VanDerWaalsContact CZ-OD2 3.24Å; R200-D239 IonicContact NH1-OD2 2.92Å; R200-D239 PolarHBondContact NH1-OD2 3.44Å; R200-D239 VanDerWaalsContact NH2-CG 3.31Å; R200-D239 PolarHBondContact NH2-O 2.76Å; R200-D239 IonicContact NH2-OD1 2.64Å; R200-D239 IonicContact NH2-OD2 2.9Å; R200-D239 PolarHBondContact NH2-OD2 3.48Å; K225-D239 WeakPolarHBondContact CE-OD1 3.43Å; K225-D239 IonicContact NZ-OD1 3.8Å; K225-D239 PolarHBondContact NZ-OD1 3.09Å; K225-D239 IonicContact NZ-OD2 2.79Å; K225-D239 PolarHBondContact NZ-OD2 3.28Å; L228-D239 HydrophobicContact CD1-CB 3.91Å; L228-D239 HydrophobicContact CG-CB 4.42Å; D239-I241 PolarHBondContact OD1-N 2.82Å; D239-P527 WeakPolarHBondContact CA-O 3.47Å; D239-P527 WeakPolarHBondContact OD1-CB 2.83Å
240V97.8Very high94.5Very high0 Ų049.9 Ų49.90%025%0.247CC..  trans-93.46.1-179.4-61.10000113.6I196 L238 H252 P254 P527 M529 C532I196-V240 HydrophobicContact CD1-CG1 3.94Å; L238-V240 PolarHBondContact O-N 2.7Å; V240-H252 HydrophobicContact CB-CB 4.34Å; V240-H252 PolarHBondContact O-CD2 3.09Å; V240-H252 VanDerWaalsContact O-CD2 3.24Å; V240-H252 PolarHBondContact O-N 3.18Å; V240-P254 HydrophobicContact CG1-CG 4.38Å; V240-P527 WeakPolarHBondContact CG2-O 3.18Å; V240-P527 PolarHBondContact N-O 2.67Å; V240-M529 HydrophobicContact CG1-CB 3.73Å; V240-M529 HydrophobicContact CG1-CG 3.86Å; V240-C532 HydrophobicContact CG2-CB 4.3Å
241I98.3Very high94.8Very high0 Ų041.1 Ų41.10%021%0.209CC..EExtended strand (participates in β ladder)trans-115.8119.7-172.7-55.4-60.6000111.4R200 K225 D239 V249 V251 I525 T535R200-I241 PolarHBondContact NH2-O 2.84Å; K225-I241 HydrophobicContact CD-CB 4.24Å; K225-I241 HydrophobicContact CD-CG2 3.98Å; K225-I241 VanDerWaalsContact CE-O 3.32Å; K225-I241 WeakPolarHBondContact CE-O 3.29Å; K225-I241 HydrophobicContact CG-CG2 4.15Å; K225-I241 PolarHBondContact NZ-O 3Å; D239-I241 PolarHBondContact OD1-N 2.82Å; I241-V249 HydrophobicContact CG2-CG1 4.34Å; I241-V251 HydrophobicContact CD1-CB 4.21Å; I241-V251 HydrophobicContact CD1-CG1 3.92Å; I241-V251 HydrophobicContact CD1-CG2 3.82Å; I241-I525 HydrophobicContact CG2-CD1 3.71Å; I241-T535 HydrophobicContact CD1-CG2 3.62Å; I241-T535 HydrophobicContact CG1-CG2 4.35Å
242T97.7Very high95.2Very high4 Ų433.6 Ų33.63%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-119.9131.7177.8-540000110.8R200 L203 Y205 P244 M250 H252R200-T242 HydrophobicContact CG-CG2 4.37Å; R200-T242 PolarHBondContact NE-OG1 3.12Å; R200-T242 PolarHBondContact NH2-OG1 3.38Å; L203-T242 HydrophobicContact CD1-CG2 3.76Å; Y205-T242 HydrophobicContact CE1-CG2 4.06Å; Y205-T242 WeakPolarHBondContact OH-CG2 3.32Å; T242-P244 WeakPolarHBondContact O-CD 3.21Å; T242-M250 PolarHBondContact N-O 2.65Å; T242-M250 WeakPolarHBondContact O-CB 3.46Å; T242-M250 PolarHBondContact O-N 2.87Å; T242-H252 WeakPolarHBondContact CB-NE2 3.14Å; T242-H252 PolarHBondContact OG1-CD2 3.25Å; T242-H252 PolarHBondContact OG1-NE2 3.15Å
243I97.8Very high95.4Very high14 Ų1434.6 Ų34.67%0.07218%0.181CC..EExtended strand (participates in β ladder)trans-116.592.8174.6-68.7176000106.3K225 S245 V249 A274 F275K225-I243 HydrophobicContact CB-CD1 3.84Å; I243-S245 WeakPolarHBondContact CG2-O 3.21Å; I243-V249 HydrophobicContact CD1-CG2 4.19Å; I243-V249 HydrophobicContact CG1-CB 4.47Å; I243-V249 HydrophobicContact CG1-CG1 4.33Å; I243-V249 HydrophobicContact CG1-CG2 4.13Å; I243-A274 HydrophobicContact CD1-CB 4.37Å; I243-A274 HydrophobicContact CG2-CB 3.76Å; I243-F275 WeakPolarHBondContact CD1-O 3.4Å
244P95.6Very high95.4Very high12 Ų1231.2 Ų31.28%0.07817%0.165CC..EExtended strand (participates in β ladder)trans-80.6-27.8-176.832.1-35.3000112.4L203 Y205 R206 T242 V248 M250L203-P244 HydrophobicContact CD1-CB 4.36Å; Y205-P244 CarbonylContact C-O 3.58Å; Y205-P244 WeakPolarHBondContact CA-O 3.43Å; R206-P244 CarbonylContact C-O 3.51Å; R206-P244 PolarHBondContact N-O 3.07Å; T242-P244 WeakPolarHBondContact O-CD 3.21Å; P244-V248 HydrophobicContact CG-CB 4.23Å; P244-V248 HydrophobicContact CG-CG1 3.96Å; P244-M250 HydrophobicContact CG-CG 4.24Å; P244-M250 HydrophobicContact CG-SD 3.9Å
245S95.4Very high95.3Very high25 Ų2528.4 Ų28.418%0.17514%0.142CC..EExtended strand (participates in β ladder)trans-136164.5179.2700000112R206 I243 D247 V248R206-S245 WeakPolarHBondContact O-CA 3.39Å; I243-S245 WeakPolarHBondContact CG2-O 3.21Å; S245-D247 PolarHBondContact O-N 2.95Å; S245-D247 PolarHBondContact OG-OD1 2.97Å; S245-V248 PolarHBondContact O-N 2.86Å; S245-V248 WeakPolarHBondContact OG-CB 3.23Å; S245-V248 WeakPolarHBondContact OG-CG2 3.2Å
246K94.3Very high95.4Very high60 Ų6027.5 Ų27.526%0.26114%0.137SC..THydrogen-bonded Turntrans-55.9-14.5-179.272.5172.3-177.1174.10116.7R206 L208 D212 Y273 A274R206-K246 PolarHBondContact O-N 2.72Å; L208-K246 HydrophobicContact CB-CB 3.65Å; L208-K246 HydrophobicContact CD1-CB 3.86Å; L208-K246 HydrophobicContact CD1-CD 4.06Å; L208-K246 HydrophobicContact CG-CB 4.3Å; D212-K246 WeakPolarHBondContact OD1-CD 3.36Å; D212-K246 WeakPolarHBondContact OD1-CE 3.49Å; D212-K246 IonicContact OD1-NZ 3.16Å; D212-K246 PolarHBondContact OD1-NZ 2.88Å; K246-Y273 CarbonylContact O-C 3.3Å; K246-Y273 WeakPolarHBondContact O-CA 3.32Å; K246-A274 PolarHBondContact O-N 2.83Å
247D94.6Very high95.3Very high35 Ų3528 Ų2819%0.18714%0.139CC..THydrogen-bonded Turntrans-122.5-11.2-175.970.1-59.3000113.7S245 R270 F271S245-D247 PolarHBondContact O-N 2.95Å; S245-D247 PolarHBondContact OG-OD1 2.97Å; D247-R270 CarbonylContact O-C 3.59Å; D247-R270 VanDerWaalsContact O-CA 3.29Å; D247-R270 WeakPolarHBondContact O-CA 3.44Å; D247-R270 IonicContact OD2-CZ 3.97Å; D247-R270 IonicContact OD2-NE 2.71Å; D247-R270 PolarHBondContact OD2-NE 2.9Å; D247-R270 IonicContact OD2-NH2 3.92Å; D247-R270 PolarHBondContact OD2-NH2 3.31Å; D247-F271 PolarHBondContact O-N 2.9Å
248V96.6Very high95.1Very high18 Ų1834.6 Ų34.611%0.10918%0.179CC..EExtended strand (participates in β ladder)trans-109132.3-170.7175.90000111.7P244 S245 M250 T268 R270P244-V248 HydrophobicContact CG-CB 4.23Å; P244-V248 HydrophobicContact CG-CG1 3.96Å; S245-V248 PolarHBondContact O-N 2.86Å; S245-V248 WeakPolarHBondContact OG-CB 3.23Å; S245-V248 WeakPolarHBondContact OG-CG2 3.2Å; V248-M250 HydrophobicContact CG1-CG 3.87Å; V248-T268 HydrophobicContact CG1-CG2 3.73Å; V248-R270 HydrophobicContact CG2-CG 4.27Å
249V98.1Very high94.7Very high0 Ų038.3 Ų38.30%020%0.199CC..EExtended strand (participates in β ladder)trans-119.8123.3169.5-176.80000108.8V223 I241 I243 F269 F271 A274 I525 L539V223-V249 HydrophobicContact CB-CG2 3.87Å; V223-V249 HydrophobicContact CG1-CG1 4.44Å; V223-V249 HydrophobicContact CG1-CG2 3.82Å; V223-V249 HydrophobicContact CG2-CG2 4.28Å; I241-V249 HydrophobicContact CG2-CG1 4.34Å; I243-V249 HydrophobicContact CD1-CG2 4.19Å; I243-V249 HydrophobicContact CG1-CB 4.47Å; I243-V249 HydrophobicContact CG1-CG1 4.33Å; I243-V249 HydrophobicContact CG1-CG2 4.13Å; V249-F269 PolarHBondContact N-O 2.93Å; V249-F269 PolarHBondContact O-N 2.84Å; V249-F271 HydrophobicContact CB-CD2 4.35Å; V249-F271 HydrophobicContact CB-CE2 4.25Å; V249-F271 HydrophobicContact CG2-CD2 3.75Å; V249-F271 HydrophobicContact CG2-CE2 4.05Å; V249-A274 HydrophobicContact CG2-CB 3.78Å; V249-I525 HydrophobicContact CG1-CD1 4.13Å; V249-L539 HydrophobicContact CG1-CD1 4.1Å; V249-L539 HydrophobicContact CG1-CD2 4.09Å
250M97.6Very high94.1Very high19 Ų1942.9 Ų42.99%0.09422%0.223CC..EExtended strand (participates in β ladder)trans-109.1134.8176.6-51.1-172.882.600110.2F199 L203 T242 P244 V248 Q267 T268F199-M250 HydrophobicContact CE1-CE 3.72Å; F199-M250 HydrophobicContact CE1-SD 4.13Å; F199-M250 HydrophobicContact CZ-CE 3.74Å; L203-M250 HydrophobicContact CD1-SD 4.11Å; L203-M250 HydrophobicContact CD2-SD 4.25Å; T242-M250 PolarHBondContact N-O 2.65Å; T242-M250 WeakPolarHBondContact O-CB 3.46Å; T242-M250 PolarHBondContact O-N 2.87Å; P244-M250 HydrophobicContact CG-CG 4.24Å; P244-M250 HydrophobicContact CG-SD 3.9Å; V248-M250 HydrophobicContact CG1-CG 3.87Å; M250-Q267 WeakPolarHBondContact CA-O 3.48Å; M250-T268 HydrophobicContact CG-CG2 4.41Å
251V98.3Very high93.5Very high0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-113.8121.7173.5-173.60000108.5I241 E253 N266 Q267 F269 L536 L539I241-V251 HydrophobicContact CD1-CB 4.21Å; I241-V251 HydrophobicContact CD1-CG1 3.92Å; I241-V251 HydrophobicContact CD1-CG2 3.82Å; V251-E253 VanDerWaalsContact C-N 3.34Å; V251-E253 PolarHBondContact O-N 2.81Å; V251-N266 CarbonylContact O-C 3.55Å; V251-N266 WeakPolarHBondContact O-CA 3.08Å; V251-Q267 HydrophobicContact CB-CB 4.5Å; V251-Q267 PolarHBondContact N-O 2.77Å; V251-Q267 PolarHBondContact O-N 3.37Å; V251-F269 HydrophobicContact CG2-CD2 4.25Å; V251-F269 HydrophobicContact CG2-CE2 3.89Å; V251-L536 HydrophobicContact CB-CD2 4.01Å; V251-L536 HydrophobicContact CG1-CD2 3.88Å; V251-L536 HydrophobicContact CG1-CG 4.08Å; V251-L536 HydrophobicContact CG2-CD2 3.96Å; V251-L539 HydrophobicContact CG2-CD1 3.4Å; V251-L539 VanDerWaalsContact CG2-CD1 3.4Å
252H97.4Very high93Very high0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-89.371.9175.2-54.7-56.1000109.2I196 F199 V240 T242 P254 L264 N266I196-H252 HydrophobicContact CD1-CB 4.06Å; I196-H252 HydrophobicContact CG1-CB 3.86Å; F199-H252 AromaticContact CD1-CE1 3.41Å; F199-H252 VanDerWaalsContact CD1-CE1 3.41Å; F199-H252 WeakPolarHBondContact CD1-CE1 3.3Å; F199-H252 AromaticContact CE1-CE1 3.62Å; V240-H252 HydrophobicContact CB-CB 4.34Å; V240-H252 PolarHBondContact O-CD2 3.09Å; V240-H252 VanDerWaalsContact O-CD2 3.24Å; V240-H252 PolarHBondContact O-N 3.18Å; T242-H252 WeakPolarHBondContact CB-NE2 3.14Å; T242-H252 PolarHBondContact OG1-CD2 3.25Å; T242-H252 PolarHBondContact OG1-NE2 3.15Å; H252-P254 WeakPolarHBondContact O-CD 3.29Å; H252-L264 HydrophobicContact CB-CD1 4.33Å; H252-L264 HydrophobicContact CB-CD2 4.29Å; H252-N266 PolarHBondContact ND1-OD1 3.19Å
253E96.1Very high92.5Very high33 Ų3354 Ų5415%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-66.4112.6-177.2-172.6-178.7-15000109.4V251 K255 E265 Q267 L536V251-E253 VanDerWaalsContact C-N 3.34Å; V251-E253 PolarHBondContact O-N 2.81Å; E253-K255 HydrophobicContact CG-CG 4.43Å; E253-K255 PolarHBondContact O-N 3.42Å; E253-K255 IonicContact OE1-NZ 3.31Å; E253-K255 WeakPolarHBondContact OE2-CE 3.35Å; E253-K255 IonicContact OE2-NZ 2.83Å; E253-K255 PolarHBondContact OE2-NZ 2.7Å; E253-E265 HydrophobicContact CB-CB 4.37Å; E253-E265 WeakPolarHBondContact CB-O 3.29Å; E253-E265 PolarHBondContact N-O 3.11Å; E253-E265 VanDerWaalsContact N-O 3.15Å; E253-E265 PolarHBondContact O-N 3.01Å; E253-Q267 PolarHBondContact OE2-NE2 3.29Å; E253-L536 HydrophobicContact CB-CD1 4.35Å; E253-L536 VanDerWaalsContact CD-CD1 3.47Å; E253-L536 HydrophobicContact CG-CD1 3.93Å; E253-L536 WeakPolarHBondContact OE1-CD1 3.45Å
254P91.6Very high92.3Very high33 Ų3354.6 Ų54.621%0.21428%0.276CS..EExtended strand (participates in β ladder)trans-76.9127.4-178.6-6.123.5000109.2I192 V240 H252 L264 M529I192-P254 HydrophobicContact CD1-CB 3.77Å; I192-P254 HydrophobicContact CG1-CB 4.25Å; I192-P254 HydrophobicContact CG2-CB 4.07Å; I192-P254 HydrophobicContact CG2-CG 4.08Å; V240-P254 HydrophobicContact CG1-CG 4.38Å; H252-P254 WeakPolarHBondContact O-CD 3.29Å; P254-L264 HydrophobicContact CB-CD2 4.49Å; P254-M529 HydrophobicContact CB-SD 4.49Å; P254-M529 HydrophobicContact CG-CG 3.78Å; P254-M529 HydrophobicContact CG-SD 3.73Å
255K91.7Very high92.3Very high61 Ų6157.4 Ų57.427%0.26529%0.288SS..EExtended strand (participates in β ladder)trans-130.2162178.8-72.3-172.1-177165.90111.4E253 R262 Y263 E265E253-K255 HydrophobicContact CG-CG 4.43Å; E253-K255 PolarHBondContact O-N 3.42Å; E253-K255 IonicContact OE1-NZ 3.31Å; E253-K255 WeakPolarHBondContact OE2-CE 3.35Å; E253-K255 IonicContact OE2-NZ 2.83Å; E253-K255 PolarHBondContact OE2-NZ 2.7Å; K255-R262 CarbonylContact O-C 3.44Å; K255-R262 WeakPolarHBondContact O-CA 3.18Å; K255-Y263 HydrophobicContact CB-CD1 4.06Å; K255-Y263 HydrophobicContact CB-CD2 4.49Å; K255-Y263 HydrophobicContact CB-CE1 3.49Å; K255-Y263 VanDerWaalsContact CB-CE1 3.49Å; K255-Y263 HydrophobicContact CB-CE2 3.97Å; K255-Y263 VanDerWaalsContact CB-CZ 3.43Å; K255-Y263 HydrophobicContact CD-CE2 4.47Å; K255-Y263 PolarHBondContact N-O 2.86Å; K255-Y263 PolarHBondContact O-N 2.89Å; K255-Y263 VanDerWaalsContact O-O 3.12Å; K255-E265 HydrophobicContact CD-CB 4.12Å; K255-E265 WeakPolarHBondContact CD-OE2 3.34Å; K255-E265 IonicContact NZ-OE1 3.1Å; K255-E265 PolarHBondContact NZ-OE1 3.32Å; K255-E265 IonicContact NZ-OE2 2.64Å; K255-E265 PolarHBondContact NZ-OE2 3.18Å
256Q90.9Very high92.3Very high105 Ų10558.9 Ų58.949%0.49129%0.294SS..EExtended strand (participates in β ladder)trans-126.2135.4177.5-169.8166.4-16.700107.9L260Q256-L260 WeakPolarHBondContact CG-O 3.17Å
257K87.1Confident92.4Very high104 Ų10457.5 Ų57.545%0.45229%0.289SS..  trans-79.9169.2173.1-67.6-174.2-168.1169.90110.8D259 L260 T261 Y263K257-D259 WeakPolarHBondContact CB-OD1 3.15Å; K257-D259 WeakPolarHBondContact CD-OD2 3.36Å; K257-D259 PolarHBondContact O-N 2.8Å; K257-L260 WeakPolarHBondContact O-CA 3.42Å; K257-L260 PolarHBondContact O-N 2.85Å; K257-T261 PolarHBondContact N-O 2.84Å; K257-Y263 HydrophobicContact CG-CD1 3.81Å; K257-Y263 HydrophobicContact CG-CE1 3.71Å
258V89.1Confident92.5Very high154 Ų15459.6 Ų59.693%0.93330%0.303SS*.THydrogen-bonded Turntrans-60-31.3170.5-173.10000111.8L260V258-L260 PolarHBondContact O-N 2.89Å
259D85.7Confident92.5Very high98 Ų9859.6 Ų59.652%0.52430%0.302SS..THydrogen-bonded Turntrans-77.515172.865.428.6000113.9K257 T261K257-D259 WeakPolarHBondContact CB-OD1 3.15Å; K257-D259 WeakPolarHBondContact CD-OD2 3.36Å; K257-D259 PolarHBondContact O-N 2.8Å; D259-T261 PolarHBondContact O-N 2.92Å; D259-T261 WeakPolarHBondContact OD1-CB 3.48Å; D259-T261 PolarHBondContact OD1-N 2.92Å; D259-T261 PolarHBondContact OD1-OG1 3.33Å
260L84.9Confident92.4Very high126 Ų12667 Ų6766%0.6633%0.33SS*.  trans60.8-0-174.1-49.6179.4000116.1Q256 K257 V258 R262Q256-L260 WeakPolarHBondContact CG-O 3.17Å; K257-L260 WeakPolarHBondContact O-CA 3.42Å; K257-L260 PolarHBondContact O-N 2.85Å; V258-L260 PolarHBondContact O-N 2.89Å; L260-R262 PolarHBondContact O-N 2.81Å
261T84.6Confident92.3Very high67 Ų6766.3 Ų66.341%0.41133%0.326SS..  trans-63.5121.1177.3-53.40000110.8K257 D259K257-T261 PolarHBondContact N-O 2.84Å; D259-T261 PolarHBondContact O-N 2.92Å; D259-T261 WeakPolarHBondContact OD1-CB 3.48Å; D259-T261 PolarHBondContact OD1-N 2.92Å; D259-T261 PolarHBondContact OD1-OG1 3.33Å
262R87.3Confident92.1Very high87 Ų8767.1 Ų67.133%0.32833%0.33SS..EExtended strand (participates in β ladder)trans-72.6141.9169.9-60.6-168.1-178.9-147.20.3111.2N189 E191 M195 K255 L260N189-R262 PolarHBondContact OD1-NH1 2.82Å; E191-R262 WeakPolarHBondContact OE2-CD 3.3Å; M195-R262 HydrophobicContact CE-CB 4.36Å; K255-R262 CarbonylContact O-C 3.44Å; K255-R262 WeakPolarHBondContact O-CA 3.18Å; L260-R262 PolarHBondContact O-N 2.81Å
263Y88.8Confident92.1Very high83 Ų8367.5 Ų67.533%0.32533%0.332SS..EExtended strand (participates in β ladder)trans-151.3167.7175.171.6-79.3000111.4K255 K257 E265K255-Y263 HydrophobicContact CB-CD1 4.06Å; K255-Y263 HydrophobicContact CB-CD2 4.49Å; K255-Y263 HydrophobicContact CB-CE1 3.49Å; K255-Y263 VanDerWaalsContact CB-CE1 3.49Å; K255-Y263 HydrophobicContact CB-CE2 3.97Å; K255-Y263 VanDerWaalsContact CB-CZ 3.43Å; K255-Y263 HydrophobicContact CD-CE2 4.47Å; K255-Y263 PolarHBondContact N-O 2.86Å; K255-Y263 PolarHBondContact O-N 2.89Å; K255-Y263 VanDerWaalsContact O-O 3.12Å; K257-Y263 HydrophobicContact CG-CD1 3.81Å; K257-Y263 HydrophobicContact CG-CE1 3.71Å; Y263-E265 HydrophobicContact CE2-CB 4.31Å
264L92.9Very high92.1Very high27 Ų2766 Ų6614%0.14133%0.325CS..EExtended strand (participates in β ladder)trans-104.1127.6172.6-60.2178.5000110.4I192 M195 I196 H252 P254I192-L264 HydrophobicContact CG2-CD2 4.14Å; M195-L264 HydrophobicContact CB-CD1 3.63Å; M195-L264 HydrophobicContact CB-CG 3.93Å; M195-L264 HydrophobicContact SD-CG 4.4Å; I196-L264 HydrophobicContact CD1-CD2 4.47Å; I196-L264 HydrophobicContact CG1-CD1 3.7Å; I196-L264 HydrophobicContact CG1-CD2 4.05Å; H252-L264 HydrophobicContact CB-CD1 4.33Å; H252-L264 HydrophobicContact CB-CD2 4.29Å; P254-L264 HydrophobicContact CB-CD2 4.49Å
265E95.4Very high92.5Very high71 Ų7164.4 Ų64.433%0.33232%0.315SS..EExtended strand (participates in β ladder)trans-93.699.3163.7-168.9175.8118.800109.2E253 K255 Y263 Q267E253-E265 HydrophobicContact CB-CB 4.37Å; E253-E265 WeakPolarHBondContact CB-O 3.29Å; E253-E265 PolarHBondContact N-O 3.11Å; E253-E265 VanDerWaalsContact N-O 3.15Å; E253-E265 PolarHBondContact O-N 3.01Å; K255-E265 HydrophobicContact CD-CB 4.12Å; K255-E265 WeakPolarHBondContact CD-OE2 3.34Å; K255-E265 IonicContact NZ-OE1 3.1Å; K255-E265 PolarHBondContact NZ-OE1 3.32Å; K255-E265 IonicContact NZ-OE2 2.64Å; K255-E265 PolarHBondContact NZ-OE2 3.18Å; Y263-E265 HydrophobicContact CE2-CB 4.31Å; E265-Q267 VanDerWaalsContact C-N 3.34Å; E265-Q267 PolarHBondContact O-N 2.95Å
266N94.4Very high92.7Very high55 Ų5563 Ų6329%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-80.475.4-174.3-66.3-48.3000111.9F199 V251 H252 T268F199-N266 WeakPolarHBondContact CE2-ND2 3.33Å; F199-N266 HydrophobicContact CZ-CB 4.34Å; V251-N266 CarbonylContact O-C 3.55Å; V251-N266 WeakPolarHBondContact O-CA 3.08Å; H252-N266 PolarHBondContact ND1-OD1 3.19Å; N266-T268 PolarHBondContact O-N 2.98Å
267Q97.1Very high92.9Very high31 Ų3161.1 Ų61.115%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-66.4129.7174.7-74.7179.173.700110.7M250 V251 E253 E265 F269 L536 R540M250-Q267 WeakPolarHBondContact CA-O 3.48Å; V251-Q267 HydrophobicContact CB-CB 4.5Å; V251-Q267 PolarHBondContact N-O 2.77Å; V251-Q267 PolarHBondContact O-N 3.37Å; E253-Q267 PolarHBondContact OE2-NE2 3.29Å; E265-Q267 VanDerWaalsContact C-N 3.34Å; E265-Q267 PolarHBondContact O-N 2.95Å; Q267-F269 HydrophobicContact CB-CE2 3.85Å; Q267-F269 HydrophobicContact CB-CZ 4.25Å; Q267-L536 HydrophobicContact CB-CD2 4.41Å; Q267-R540 VanDerWaalsContact CD-NH2 3.34Å
268T96.3Very high93.3Very high79 Ų7960.6 Ų60.649%0.48531%0.313SS..EExtended strand (participates in β ladder)trans-118.9129.5-178.3-57.10000110.2V248 M250 N266V248-T268 HydrophobicContact CG1-CG2 3.73Å; M250-T268 HydrophobicContact CG-CG2 4.41Å; N266-T268 PolarHBondContact O-N 2.98Å
269F96.9Very high93.6Very high19 Ų1953.6 Ų53.68%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-122149179.8-58.2-90.9000109.8V249 V251 Q267 F271 L536 L539 R540V249-F269 PolarHBondContact N-O 2.93Å; V249-F269 PolarHBondContact O-N 2.84Å; V251-F269 HydrophobicContact CG2-CD2 4.25Å; V251-F269 HydrophobicContact CG2-CE2 3.89Å; Q267-F269 HydrophobicContact CB-CE2 3.85Å; Q267-F269 HydrophobicContact CB-CZ 4.25Å; F269-F271 HydrophobicContact CB-CD2 4.33Å; F269-F271 HydrophobicContact CB-CE2 3.42Å; F269-F271 VanDerWaalsContact CB-CE2 3.42Å; F269-F271 HydrophobicContact CB-CZ 3.92Å; F269-F271 HydrophobicContact CG-CE2 4.39Å; F269-L536 HydrophobicContact CE2-CD2 3.92Å; F269-L536 HydrophobicContact CZ-CD2 3.95Å; F269-L539 HydrophobicContact CD1-CB 4.24Å; F269-L539 HydrophobicContact CD2-CB 4.18Å; F269-L539 HydrophobicContact CD2-CD1 3.98Å; F269-L539 HydrophobicContact CE1-CB 4.2Å; F269-L539 HydrophobicContact CE2-CB 4.14Å; F269-L539 HydrophobicContact CE2-CD1 4.03Å; F269-L539 HydrophobicContact CG-CB 4.24Å; F269-L539 HydrophobicContact CZ-CB 4.15Å; F269-R540 HydrophobicContact CE1-CG 3.92Å; F269-R540 HydrophobicContact CZ-CG 4.1Å
270R95.4Very high94.1Very high156 Ų15652 Ų5259%0.58927%0.267SS*.EExtended strand (participates in β ladder)trans-122.8133.6176.6-58.8-172.584.5159.95.7111.2D247 V248D247-R270 CarbonylContact O-C 3.59Å; D247-R270 VanDerWaalsContact O-CA 3.29Å; D247-R270 WeakPolarHBondContact O-CA 3.44Å; D247-R270 IonicContact OD2-CZ 3.97Å; D247-R270 IonicContact OD2-NE 2.71Å; D247-R270 PolarHBondContact OD2-NE 2.9Å; D247-R270 IonicContact OD2-NH2 3.92Å; D247-R270 PolarHBondContact OD2-NH2 3.31Å; V248-R270 HydrophobicContact CG2-CG 4.27Å
271F95.6Very high94.7Very high3 Ų346.4 Ų46.41%0.01324%0.238CC..  trans-124.3-172-176.4-67.2-72.2000110.2V221 V223 D247 V249 F269 L539 A542 K546V221-F271 HydrophobicContact CG1-CD1 3.89Å; V221-F271 HydrophobicContact CG1-CE1 4.23Å; V223-F271 HydrophobicContact CB-CD2 4.17Å; V223-F271 HydrophobicContact CB-CE2 4.47Å; V223-F271 HydrophobicContact CB-CG 4.48Å; V223-F271 HydrophobicContact CG2-CD1 3.92Å; V223-F271 HydrophobicContact CG2-CD2 3.42Å; V223-F271 VanDerWaalsContact CG2-CD2 3.42Å; V223-F271 HydrophobicContact CG2-CE1 3.95Å; V223-F271 HydrophobicContact CG2-CE2 3.43Å; V223-F271 VanDerWaalsContact CG2-CE2 3.43Å; V223-F271 HydrophobicContact CG2-CG 3.67Å; V223-F271 HydrophobicContact CG2-CZ 3.71Å; D247-F271 PolarHBondContact O-N 2.9Å; V249-F271 HydrophobicContact CB-CD2 4.35Å; V249-F271 HydrophobicContact CB-CE2 4.25Å; V249-F271 HydrophobicContact CG2-CD2 3.75Å; V249-F271 HydrophobicContact CG2-CE2 4.05Å; F269-F271 HydrophobicContact CB-CD2 4.33Å; F269-F271 HydrophobicContact CB-CE2 3.42Å; F269-F271 VanDerWaalsContact CB-CE2 3.42Å; F269-F271 HydrophobicContact CB-CZ 3.92Å; F269-F271 HydrophobicContact CG-CE2 4.39Å; F271-L539 HydrophobicContact CE2-CD2 3.76Å; F271-L539 HydrophobicContact CZ-CD2 3.9Å; F271-A542 HydrophobicContact CD1-CB 4.43Å; F271-A542 HydrophobicContact CE1-CB 3.53Å; F271-A542 HydrophobicContact CZ-CB 4.06Å; F271-K546 PolarHBondContact O-NZ 3.17Å
272D94.8Very high95.2Very high18 Ų1847 Ų4710%0.09624%0.236CC..SBendtrans-84-44.6173.1-52.1-21.1000109.5H217 C220 V221 K546H217-D272 VanDerWaalsContact CD2-CG 3.49Å; H217-D272 IonicContact CD2-OD1 3.79Å; H217-D272 IonicContact CD2-OD2 2.67Å; H217-D272 PolarHBondContact CD2-OD2 2.85Å; H217-D272 IonicContact NE2-OD1 3.13Å; C220-D272 WeakPolarHBondContact CA-OD2 3.12Å; C220-D272 PolarHBondContact SG-OD2 3.49Å; V221-D272 PolarHBondContact N-OD2 2.86Å; V221-D272 PolarHBondContact O-N 2.86Å; D272-K546 WeakPolarHBondContact OD1-CD 3.32Å; D272-K546 VanDerWaalsContact OD1-CE 3.3Å; D272-K546 WeakPolarHBondContact OD1-CE 3.37Å; D272-K546 IonicContact OD1-NZ 3.96Å; D272-K546 PolarHBondContact OD1-NZ 2.82Å
273Y96.9Very high95.7Very high7 Ų744.7 Ų44.73%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-136.6134.7172-53.1-81.5000110.9L208 I214 E215 C222 V223 K246 F287L208-Y273 HydrophobicContact CD1-CD1 4.1Å; L208-Y273 HydrophobicContact CD2-CD1 3.94Å; L208-Y273 HydrophobicContact CD2-CG 4.41Å; I214-Y273 WeakPolarHBondContact CA-OH 3.31Å; E215-Y273 PolarHBondContact N-OH 2.87Å; C222-Y273 CarbonylContact C-O 3.52Å; C222-Y273 WeakPolarHBondContact CA-O 3.4Å; C222-Y273 WeakPolarHBondContact CB-O 3.36Å; V223-Y273 PolarHBondContact N-O 3.01Å; K246-Y273 CarbonylContact O-C 3.3Å; K246-Y273 WeakPolarHBondContact O-CA 3.32Å; Y273-F287 HydrophobicContact CD1-CB 4.12Å; Y273-F287 AromaticContact CD1-CD1 3.82Å; Y273-F287 HydrophobicContact CD1-CD1 3.82Å; Y273-F287 HydrophobicContact CD1-CG 4.08Å; Y273-F287 HydrophobicContact CD2-CB 4.1Å; Y273-F287 HydrophobicContact CE1-CB 4.26Å; Y273-F287 AromaticContact CE1-CD1 3.37Å; Y273-F287 HydrophobicContact CE1-CD1 3.37Å; Y273-F287 AromaticContact CE1-CE1 3.99Å; Y273-F287 HydrophobicContact CE1-CE1 3.99Å; Y273-F287 HydrophobicContact CE1-CG 4.08Å; Y273-F287 HydrophobicContact CE2-CB 4.25Å; Y273-F287 HydrophobicContact CG-CB 4.05Å; Y273-F287 HydrophobicContact CG-CG 4.5Å; Y273-F287 AromaticContact CZ-CD1 3.79Å
274A97.7Very high96.1Very high2 Ų240.8 Ų40.82%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-117.2111.2174.600000108.7I243 K246 V249I243-A274 HydrophobicContact CD1-CB 4.37Å; I243-A274 HydrophobicContact CG2-CB 3.76Å; K246-A274 PolarHBondContact O-N 2.83Å; V249-A274 HydrophobicContact CG2-CB 3.78Å
275F98.3Very high96.3Very high0 Ų039.5 Ų39.50%021%0.207CC..EExtended strand (participates in β ladder)trans-95.2125.7178.9-54.9-74000109.8L208 C222 V223 R224 K225 I243 V284 F287 T288L208-F275 HydrophobicContact CD2-CD1 3.75Å; L208-F275 HydrophobicContact CD2-CE1 3.41Å; L208-F275 VanDerWaalsContact CD2-CE1 3.41Å; L208-F275 HydrophobicContact CD2-CZ 4.28Å; C222-F275 HydrophobicContact CB-CD2 4.4Å; C222-F275 HydrophobicContact CB-CE2 3.77Å; V223-F275 VanDerWaalsContact O-CD2 3.3Å; V223-F275 WeakPolarHBondContact O-CD2 3.37Å; V223-F275 PolarHBondContact O-N 3.5Å; R224-F275 HydrophobicContact CB-CB 4.19Å; R224-F275 HydrophobicContact CB-CD2 4.29Å; R224-F275 HydrophobicContact CG-CB 4.08Å; K225-F275 PolarHBondContact N-O 3.36Å; I243-F275 WeakPolarHBondContact CD1-O 3.4Å; F275-V284 HydrophobicContact CB-CG2 4.22Å; F275-V284 HydrophobicContact CD1-CG2 3.97Å; F275-V284 HydrophobicContact CD2-CG1 4.26Å; F275-V284 HydrophobicContact CD2-CG2 3.95Å; F275-V284 HydrophobicContact CE1-CB 4.5Å; F275-V284 HydrophobicContact CE1-CG2 4.31Å; F275-V284 HydrophobicContact CE2-CB 4.38Å; F275-V284 HydrophobicContact CE2-CG1 3.98Å; F275-V284 HydrophobicContact CE2-CG2 4.3Å; F275-V284 HydrophobicContact CG-CG2 3.79Å; F275-V284 HydrophobicContact CZ-CB 4.39Å; F275-V284 HydrophobicContact CZ-CG1 4.34Å; F275-V284 HydrophobicContact CZ-CG2 4.48Å; F275-F287 HydrophobicContact CE1-CB 4.3Å; F275-F287 HydrophobicContact CE1-CD2 4.25Å; F275-F287 HydrophobicContact CZ-CB 3.97Å; F275-T288 HydrophobicContact CE2-CG2 3.8Å; F275-T288 HydrophobicContact CZ-CG2 3.98Å
276D96.5Very high96.4Very high30 Ų3040.1 Ų40.116%0.1621%0.207CC..  trans-74.9-176.7176.471.3-3.2000112.6S278 S279D276-S278 VanDerWaalsContact C-N 3.26Å; D276-S278 PolarHBondContact O-N 2.94Å; D276-S278 WeakPolarHBondContact OD1-CA 3.45Å; D276-S278 PolarHBondContact OD1-N 3.39Å; D276-S278 VanDerWaalsContact OD1-N 3.07Å; D276-S278 PolarHBondContact OD1-OG 3.25Å; D276-S278 PolarHBondContact OD2-OG 3.26Å; D276-S279 PolarHBondContact N-OG 2.85Å; D276-S279 WeakPolarHBondContact O-CB 3.37Å; D276-S279 PolarHBondContact O-N 3.01Å; D276-S279 WeakPolarHBondContact OD1-CB 3.33Å; D276-S279 PolarHBondContact OD1-N 2.85Å; D276-S279 PolarHBondContact OD1-OG 3.06Å
277D95.3Very high96.5Very high67 Ų6737.6 Ų37.636%0.35819%0.193SC..THydrogen-bonded Turntrans-75.6-8.8176.34321.8000114.2K225 P227K225-D277 HydrophobicContact CD-CB 4.06Å; K225-D277 WeakPolarHBondContact CE-OD2 3.36Å; K225-D277 HydrophobicContact CG-CB 4.25Å; K225-D277 IonicContact NZ-OD2 2.98Å; K225-D277 PolarHBondContact NZ-OD2 3.48Å; P227-D277 HydrophobicContact CB-CB 4.06Å
278S95.4Very high96.4Very high92 Ų9236.3 Ų36.364%0.64319%0.188SC*.THydrogen-bonded Turntrans-85.6-20.2169.986.70000113.1D276 S280D276-S278 VanDerWaalsContact C-N 3.26Å; D276-S278 PolarHBondContact O-N 2.94Å; D276-S278 WeakPolarHBondContact OD1-CA 3.45Å; D276-S278 PolarHBondContact OD1-N 3.39Å; D276-S278 VanDerWaalsContact OD1-N 3.07Å; D276-S278 PolarHBondContact OD1-OG 3.25Å; D276-S278 PolarHBondContact OD2-OG 3.26Å; S278-S280 PolarHBondContact O-N 3.11Å
279S96.1Very high96.4Very high8 Ų832.6 Ų32.66%0.05616%0.164CC..  trans-67.8115.7-170.3-67.80000113.8R224 D276R224-S279 PolarHBondContact NH2-O 2.94Å; D276-S279 PolarHBondContact N-OG 2.85Å; D276-S279 WeakPolarHBondContact O-CB 3.37Å; D276-S279 PolarHBondContact O-N 3.01Å; D276-S279 WeakPolarHBondContact OD1-CB 3.33Å; D276-S279 PolarHBondContact OD1-N 2.85Å; D276-S279 PolarHBondContact OD1-OG 3.06Å
280S96.1Very high96.5Very high63 Ų6336.5 Ų36.544%0.44118%0.179SC..  trans-74.7162.8-179.375.60000113.6S278 E282 M283 V284S278-S280 PolarHBondContact O-N 3.11Å; S280-E282 VanDerWaalsContact C-N 3.28Å; S280-E282 PolarHBondContact O-N 2.73Å; S280-M283 PolarHBondContact O-N 2.81Å; S280-M283 VanDerWaalsContact O-N 3.15Å; S280-M283 PolarHBondContact OG-N 3.35Å; S280-V284 WeakPolarHBondContact O-CG2 3.34Å; S280-V284 PolarHBondContact O-N 2.76Å
281N96.3Very high96.5Very high10 Ų1030.3 Ų30.35%0.05316%0.159CC..Hα-helixtrans-58.1-36.2176-81.415.9000113.2R224 V284 Y285 H316 K331R224-N281 PolarHBondContact NH1-OD1 2.77Å; R224-N281 PolarHBondContact NH2-OD1 3.33Å; N281-V284 PolarHBondContact O-N 3.22Å; N281-Y285 WeakPolarHBondContact O-CB 3.39Å; N281-Y285 PolarHBondContact O-N 3.03Å; N281-H316 PolarHBondContact ND2-O 3.03Å; N281-K331 VanDerWaalsContact CB-O 3.25Å; N281-K331 WeakPolarHBondContact CB-O 3.25Å; N281-K331 PolarHBondContact ND2-O 2.82Å
282E96.2Very high96.5Very high79 Ų7930.5 Ų30.537%0.36916%0.16SC..Hα-helixtrans-69.2-36.6177-173.678.2-130.700111.5S280 R286 L336 R339S280-E282 VanDerWaalsContact C-N 3.28Å; S280-E282 PolarHBondContact O-N 2.73Å; E282-R286 WeakPolarHBondContact O-CB 3.3Å; E282-R286 PolarHBondContact O-N 2.87Å; E282-L336 WeakPolarHBondContact OE2-CD2 3.22Å; E282-R339 IonicContact OE1-CZ 3.53Å; E282-R339 IonicContact OE1-NH1 3.39Å; E282-R339 PolarHBondContact OE1-NH1 3.38Å; E282-R339 IonicContact OE1-NH2 2.78Å; E282-R339 PolarHBondContact OE1-NH2 2.98Å; E282-R339 IonicContact OE2-CZ 3.63Å; E282-R339 IonicContact OE2-NH1 2.75Å; E282-R339 PolarHBondContact OE2-NH1 3.06Å; E282-R339 IonicContact OE2-NH2 3.63Å
283M96.4Very high96.6Very high39 Ų3929.7 Ų29.719%0.19216%0.156CC..Hα-helixtrans-66.2-45.8174-178.1-178.1-80.300111.2T210 S280 R286 F287T210-M283 HydrophobicContact CG2-CE 4.27Å; S280-M283 PolarHBondContact O-N 2.81Å; S280-M283 VanDerWaalsContact O-N 3.15Å; S280-M283 PolarHBondContact OG-N 3.35Å; M283-R286 WeakPolarHBondContact O-CB 3.37Å; M283-R286 PolarHBondContact O-N 2.93Å; M283-F287 WeakPolarHBondContact O-CD2 3.33Å
284V97.6Very high96.5Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-59.7-49.5174.9176.10000110.3R224 F275 S280 N281 R286 F287 T288 T317 I333 I522R224-V284 HydrophobicContact CG-CG2 4.37Å; F275-V284 HydrophobicContact CB-CG2 4.22Å; F275-V284 HydrophobicContact CD1-CG2 3.97Å; F275-V284 HydrophobicContact CD2-CG1 4.26Å; F275-V284 HydrophobicContact CD2-CG2 3.95Å; F275-V284 HydrophobicContact CE1-CB 4.5Å; F275-V284 HydrophobicContact CE1-CG2 4.31Å; F275-V284 HydrophobicContact CE2-CB 4.38Å; F275-V284 HydrophobicContact CE2-CG1 3.98Å; F275-V284 HydrophobicContact CE2-CG2 4.3Å; F275-V284 HydrophobicContact CG-CG2 3.79Å; F275-V284 HydrophobicContact CZ-CB 4.39Å; F275-V284 HydrophobicContact CZ-CG1 4.34Å; F275-V284 HydrophobicContact CZ-CG2 4.48Å; S280-V284 WeakPolarHBondContact O-CG2 3.34Å; S280-V284 PolarHBondContact O-N 2.76Å; N281-V284 PolarHBondContact O-N 3.22Å; V284-R286 VanDerWaalsContact C-N 3.34Å; V284-R286 PolarHBondContact O-N 3.45Å; V284-F287 PolarHBondContact O-N 3.43Å; V284-T288 HydrophobicContact CG1-CG2 4.11Å; V284-T288 WeakPolarHBondContact O-CB 3.5Å; V284-T288 WeakPolarHBondContact O-CG2 3.5Å; V284-T288 PolarHBondContact O-N 2.99Å; V284-T288 VanDerWaalsContact O-N 3.11Å; V284-T288 PolarHBondContact O-OG1 3Å; V284-T317 HydrophobicContact CG1-CG2 4.07Å; V284-I333 HydrophobicContact CG1-CD1 4.34Å; V284-I522 HydrophobicContact CG1-CD1 4.09Å; V284-I522 HydrophobicContact CG1-CG2 4.42Å
285Y97.8Very high96.3Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-54.3-45.8177.7171.7-109.8000112.7N281 F287 T288 A289 R290 I333 L336 A337 D340N281-Y285 WeakPolarHBondContact O-CB 3.39Å; N281-Y285 PolarHBondContact O-N 3.03Å; Y285-F287 VanDerWaalsContact C-N 3.26Å; Y285-F287 PolarHBondContact O-N 2.79Å; Y285-T288 PolarHBondContact O-N 3.03Å; Y285-A289 HydrophobicContact CD2-CB 3.92Å; Y285-A289 HydrophobicContact CE2-CB 4.04Å; Y285-A289 PolarHBondContact O-N 2.73Å; Y285-R290 HydrophobicContact CD1-CB 4.11Å; Y285-R290 HydrophobicContact CD1-CG 4.5Å; Y285-R290 HydrophobicContact CD2-CB 4.38Å; Y285-R290 HydrophobicContact CE1-CB 3.67Å; Y285-R290 HydrophobicContact CE1-CG 3.73Å; Y285-R290 HydrophobicContact CE2-CB 3.94Å; Y285-R290 HydrophobicContact CG-CB 4.42Å; Y285-R290 WeakPolarHBondContact O-CB 3.41Å; Y285-R290 PolarHBondContact O-N 2.89Å; Y285-I333 HydrophobicContact CD2-CG1 4.31Å; Y285-I333 HydrophobicContact CD2-CG2 4.31Å; Y285-L336 HydrophobicContact CD1-CB 3.74Å; Y285-L336 HydrophobicContact CD1-CD1 4.06Å; Y285-L336 HydrophobicContact CD1-CG 4.49Å; Y285-L336 HydrophobicContact CD2-CB 3.81Å; Y285-L336 HydrophobicContact CE1-CB 3.9Å; Y285-L336 HydrophobicContact CE2-CB 4Å; Y285-L336 HydrophobicContact CG-CB 3.72Å; Y285-L336 HydrophobicContact CG-CD1 3.83Å; Y285-L336 HydrophobicContact CG-CG 4.44Å; Y285-L336 PolarHBondContact OH-O 2.87Å; Y285-A337 HydrophobicContact CE2-CB 4.11Å; Y285-D340 WeakPolarHBondContact CE1-OD2 3.41Å; Y285-D340 VanDerWaalsContact OH-CB 3.25Å; Y285-D340 WeakPolarHBondContact OH-CB 3.39Å; Y285-D340 PolarHBondContact OH-OD2 3.17Å
286R96.6Very high96.2Very high84 Ų8433 Ų3332%0.31717%0.171SC..Hα-helixtrans-51.6-40.8-178.4178.9-175.5179.892.1-1.6113.6T210 I214 E282 M283 V284T210-R286 VanDerWaalsContact O-CZ 3.25Å; T210-R286 PolarHBondContact O-NE 3.35Å; T210-R286 PolarHBondContact O-NH2 2.82Å; I214-R286 HydrophobicContact CD1-CG 4.46Å; I214-R286 WeakPolarHBondContact CD1-O 3.22Å; E282-R286 WeakPolarHBondContact O-CB 3.3Å; E282-R286 PolarHBondContact O-N 2.87Å; M283-R286 WeakPolarHBondContact O-CB 3.37Å; M283-R286 PolarHBondContact O-N 2.93Å; V284-R286 VanDerWaalsContact C-N 3.34Å; V284-R286 PolarHBondContact O-N 3.45Å
287F96.4Very high96.2Very high3 Ų331.8 Ų31.81%0.01317%0.165CC..Hα-helixtrans-100.4-14.1-175.8-69-81.1000113.8L208 T209 D212 I214 Y273 F275 M283 V284 Y285L208-F287 HydrophobicContact CD1-CE1 4.17Å; L208-F287 HydrophobicContact CD1-CE2 4.07Å; L208-F287 HydrophobicContact CD1-CZ 3.88Å; L208-F287 HydrophobicContact CD2-CD2 3.87Å; L208-F287 HydrophobicContact CD2-CE2 4.04Å; L208-F287 HydrophobicContact CD2-CG 4.29Å; L208-F287 HydrophobicContact CG-CD2 4.4Å; L208-F287 HydrophobicContact CG-CE2 4.05Å; L208-F287 HydrophobicContact CG-CZ 4.37Å; T209-F287 VanDerWaalsContact O-CZ 3.26Å; T209-F287 WeakPolarHBondContact O-CZ 3.47Å; D212-F287 HydrophobicContact CB-CE1 4.12Å; D212-F287 HydrophobicContact CB-CZ 3.98Å; I214-F287 HydrophobicContact CG1-CD1 3.71Å; I214-F287 HydrophobicContact CG1-CE1 3.74Å; Y273-F287 HydrophobicContact CD1-CB 4.12Å; Y273-F287 AromaticContact CD1-CD1 3.82Å; Y273-F287 HydrophobicContact CD1-CD1 3.82Å; Y273-F287 HydrophobicContact CD1-CG 4.08Å; Y273-F287 HydrophobicContact CD2-CB 4.1Å; Y273-F287 HydrophobicContact CE1-CB 4.26Å; Y273-F287 AromaticContact CE1-CD1 3.37Å; Y273-F287 HydrophobicContact CE1-CD1 3.37Å; Y273-F287 AromaticContact CE1-CE1 3.99Å; Y273-F287 HydrophobicContact CE1-CE1 3.99Å; Y273-F287 HydrophobicContact CE1-CG 4.08Å; Y273-F287 HydrophobicContact CE2-CB 4.25Å; Y273-F287 HydrophobicContact CG-CB 4.05Å; Y273-F287 HydrophobicContact CG-CG 4.5Å; Y273-F287 AromaticContact CZ-CD1 3.79Å; F275-F287 HydrophobicContact CE1-CB 4.3Å; F275-F287 HydrophobicContact CE1-CD2 4.25Å; F275-F287 HydrophobicContact CZ-CB 3.97Å; M283-F287 WeakPolarHBondContact O-CD2 3.33Å; V284-F287 PolarHBondContact O-N 3.43Å; Y285-F287 VanDerWaalsContact C-N 3.26Å; Y285-F287 PolarHBondContact O-N 2.79Å
288T96.4Very high96.1Very high4 Ų434 Ų343%0.02517%0.173CC..THydrogen-bonded Turntrans-104.4-78.8-175.354.90000113.2C222 F275 V284 Y285 C520 I522C222-T288 HydrophobicContact CB-CG2 4.06Å; F275-T288 HydrophobicContact CE2-CG2 3.8Å; F275-T288 HydrophobicContact CZ-CG2 3.98Å; V284-T288 HydrophobicContact CG1-CG2 4.11Å; V284-T288 WeakPolarHBondContact O-CB 3.5Å; V284-T288 WeakPolarHBondContact O-CG2 3.5Å; V284-T288 PolarHBondContact O-N 2.99Å; V284-T288 VanDerWaalsContact O-N 3.11Å; V284-T288 PolarHBondContact O-OG1 3Å; Y285-T288 PolarHBondContact O-N 3.03Å; T288-C520 VanDerWaalsContact CB-SG 3.59Å; T288-I522 HydrophobicContact CG2-CD1 3.83Å; T288-I522 HydrophobicContact CG2-CG1 3.83Å
289A96.8Very high96Very high0 Ų037.8 Ų37.80%017%0.173CC..Hα-helixtrans-87-22.8-172.400000113.2Y285 L292 V293 C304 I333 F448Y285-A289 HydrophobicContact CD2-CB 3.92Å; Y285-A289 HydrophobicContact CE2-CB 4.04Å; Y285-A289 PolarHBondContact O-N 2.73Å; A289-L292 WeakPolarHBondContact O-CB 3.38Å; A289-L292 PolarHBondContact O-N 3.47Å; A289-V293 PolarHBondContact O-N 3.48Å; A289-C304 HydrophobicContact CB-CB 4.19Å; A289-I333 HydrophobicContact CB-CG2 3.67Å; A289-F448 HydrophobicContact CB-CZ 3.91Å; A289-F448 WeakPolarHBondContact O-CE1 3.47Å; A289-F448 WeakPolarHBondContact O-CZ 2.95Å
290R97.1Very high95.8Very high101 Ų10137.5 Ų37.538%0.38117%0.171SC..Hα-helixtrans-63.3-43.9-176.9-172171.9-172-108.30.5114.4Y285 L292 V293 D340Y285-R290 HydrophobicContact CD1-CB 4.11Å; Y285-R290 HydrophobicContact CD1-CG 4.5Å; Y285-R290 HydrophobicContact CD2-CB 4.38Å; Y285-R290 HydrophobicContact CE1-CB 3.67Å; Y285-R290 HydrophobicContact CE1-CG 3.73Å; Y285-R290 HydrophobicContact CE2-CB 3.94Å; Y285-R290 HydrophobicContact CG-CB 4.42Å; Y285-R290 WeakPolarHBondContact O-CB 3.41Å; Y285-R290 PolarHBondContact O-N 2.89Å; R290-L292 VanDerWaalsContact C-N 3.28Å; R290-L292 PolarHBondContact O-N 2.99Å; R290-V293 WeakPolarHBondContact O-CB 2.87Å; R290-V293 WeakPolarHBondContact O-CG2 3.43Å; R290-V293 PolarHBondContact O-N 3.43Å; R290-D340 IonicContact CZ-OD2 3.86Å; R290-D340 IonicContact NE-OD2 2.89Å; R290-D340 PolarHBondContact NE-OD2 3.04Å; R290-D340 IonicContact NH2-OD2 3.97Å
291P95.4Very high95.5Very high27 Ų2735.9 Ų35.918%0.17516%0.157CC..Hα-helixtrans-63.6-35176.4-2235.6000112.6I214 V293 E294I214-P291 HydrophobicContact CG2-CG 3.74Å; P291-V293 PolarHBondContact O-N 3.07Å; P291-E294 PolarHBondContact O-N 3.35Å; P291-E294 VanDerWaalsContact O-N 3.09Å
292L95.9Very high95.4Very high6 Ų635.4 Ų35.43%0.03115%0.154CC..Hα-helixtrans-66-15.4178-56.4-177.8000113.6A289 R290 E294 T295 A302 T303 C304 F448 R518 C520A289-L292 WeakPolarHBondContact O-CB 3.38Å; A289-L292 PolarHBondContact O-N 3.47Å; R290-L292 VanDerWaalsContact C-N 3.28Å; R290-L292 PolarHBondContact O-N 2.99Å; L292-E294 VanDerWaalsContact C-N 3.29Å; L292-T295 WeakPolarHBondContact O-CB 3.47Å; L292-T295 PolarHBondContact O-N 3.3Å; L292-A302 HydrophobicContact CB-CB 3.96Å; L292-T303 WeakPolarHBondContact CD1-O 3.18Å; L292-C304 HydrophobicContact CD1-CB 4.29Å; L292-F448 HydrophobicContact CB-CE1 4.1Å; L292-F448 HydrophobicContact CB-CE2 4.01Å; L292-F448 HydrophobicContact CB-CZ 3.56Å; L292-F448 HydrophobicContact CD1-CE2 3.96Å; L292-F448 HydrophobicContact CD1-CZ 4.04Å; L292-F448 HydrophobicContact CG-CZ 4.42Å; L292-R518 HydrophobicContact CD2-CB 3.51Å; L292-C520 HydrophobicContact CD1-CB 3.72Å
293V97.1Very high95.3Very high1 Ų131.7 Ų31.71%0.00614%0.137CC..Hα-helixtrans-63.7-36.7171.6-176.40000110.5A289 R290 P291 T295 I296 F297 V341 M344 F448A289-V293 PolarHBondContact O-N 3.48Å; R290-V293 WeakPolarHBondContact O-CB 2.87Å; R290-V293 WeakPolarHBondContact O-CG2 3.43Å; R290-V293 PolarHBondContact O-N 3.43Å; P291-V293 PolarHBondContact O-N 3.07Å; V293-T295 PolarHBondContact O-N 2.57Å; V293-I296 WeakPolarHBondContact O-CG1 3.42Å; V293-F297 HydrophobicContact CG1-CE2 4Å; V293-F297 WeakPolarHBondContact O-CD2 3.26Å; V293-V341 HydrophobicContact CG1-CG2 3.64Å; V293-M344 HydrophobicContact CB-SD 4.34Å; V293-M344 HydrophobicContact CG1-SD 3.66Å; V293-F448 HydrophobicContact CG2-CD1 4.44Å; V293-F448 HydrophobicContact CG2-CE1 3.88Å
294E94.7Very high95.3Very high77 Ų7729.8 Ų29.836%0.3613%0.128SC..Hα-helixtrans-67.6-39.8-179-155.6118.6-117.400111.1P291 L292 I296 F297 E298 M344 K347 Y350P291-E294 PolarHBondContact O-N 3.35Å; P291-E294 VanDerWaalsContact O-N 3.09Å; L292-E294 VanDerWaalsContact C-N 3.29Å; E294-I296 VanDerWaalsContact C-N 3.28Å; E294-I296 PolarHBondContact O-N 2.9Å; E294-I296 VanDerWaalsContact O-N 3.15Å; E294-F297 PolarHBondContact O-N 3.43Å; E294-E298 PolarHBondContact O-N 3.24Å; E294-M344 HydrophobicContact CB-CE 4.26Å; E294-M344 HydrophobicContact CG-CE 3.95Å; E294-M344 WeakPolarHBondContact OE1-CE 3.41Å; E294-K347 IonicContact OE1-NZ 2.81Å; E294-K347 PolarHBondContact OE1-NZ 2.83Å; E294-Y350 PolarHBondContact OE1-OH 2.79Å
295T94.4Very high95.2Very high2 Ų229.9 Ų29.91%0.01213%0.128CC..Hα-helixtrans-50.2-41.8178.8-50.40000113.3L292 V293 F297 E298 G300 R518L292-T295 WeakPolarHBondContact O-CB 3.47Å; L292-T295 PolarHBondContact O-N 3.3Å; V293-T295 PolarHBondContact O-N 2.57Å; T295-F297 PolarHBondContact O-N 2.9Å; T295-E298 PolarHBondContact O-N 2.84Å; T295-G300 VanDerWaalsContact O-CA 3.3Å; T295-G300 WeakPolarHBondContact O-CA 3.5Å; T295-G300 PolarHBondContact O-N 3.5Å; T295-R518 HydrophobicContact CG2-CB 4.35Å; T295-R518 HydrophobicContact CG2-CG 4.32Å
296I95.8Very high95.1Very high0 Ų029.9 Ų29.90%013%0.128CC..Hα-helixtrans-74-22.5-178.563.1164.7000113.9V293 E294 E298 A302 V341 L438 H445 F448V293-I296 WeakPolarHBondContact O-CG1 3.42Å; E294-I296 VanDerWaalsContact C-N 3.28Å; E294-I296 PolarHBondContact O-N 2.9Å; E294-I296 VanDerWaalsContact O-N 3.15Å; I296-E298 VanDerWaalsContact C-N 3.34Å; I296-A302 HydrophobicContact CG2-CB 3.62Å; I296-V341 HydrophobicContact CD1-CG2 4.09Å; I296-L438 HydrophobicContact CB-CD1 4.26Å; I296-L438 HydrophobicContact CD1-CD1 3.71Å; I296-L438 HydrophobicContact CD1-CG 3.98Å; I296-L438 HydrophobicContact CG1-CD1 3.83Å; I296-H445 PolarHBondContact O-CD2 3.2Å; I296-F448 HydrophobicContact CD1-CB 4.19Å; I296-F448 HydrophobicContact CG2-CB 4.02Å
297F96.1Very high95Very high5 Ų526.8 Ų26.82%0.02212%0.116CC..Hα-helixtrans-78.8-23.7171.1-68.5-94.8000111.8V293 E294 T295 R299 V341 M344 L345 Y350 L355 L438 H445V293-F297 HydrophobicContact CG1-CE2 4Å; V293-F297 WeakPolarHBondContact O-CD2 3.26Å; E294-F297 PolarHBondContact O-N 3.43Å; T295-F297 PolarHBondContact O-N 2.9Å; F297-R299 PolarHBondContact O-N 3.04Å; F297-V341 HydrophobicContact CE2-CG2 4.47Å; F297-V341 HydrophobicContact CZ-CG1 4.18Å; F297-M344 HydrophobicContact CB-CE 4.32Å; F297-M344 HydrophobicContact CD2-CB 4.2Å; F297-M344 HydrophobicContact CD2-CE 3.49Å; F297-M344 VanDerWaalsContact CD2-CE 3.49Å; F297-M344 HydrophobicContact CD2-SD 4.06Å; F297-M344 HydrophobicContact CE1-CB 4Å; F297-M344 HydrophobicContact CE2-CB 3.53Å; F297-M344 HydrophobicContact CE2-CE 3.93Å; F297-M344 HydrophobicContact CE2-CG 4.29Å; F297-M344 HydrophobicContact CE2-SD 3.96Å; F297-M344 HydrophobicContact CG-CE 3.93Å; F297-M344 HydrophobicContact CZ-CB 3.41Å; F297-M344 VanDerWaalsContact CZ-CB 3.41Å; F297-L345 HydrophobicContact CE1-CD1 3.73Å; F297-L345 HydrophobicContact CE1-CG 4.38Å; F297-L345 HydrophobicContact CZ-CD1 3.75Å; F297-Y350 HydrophobicContact CB-CD1 3.68Å; F297-Y350 HydrophobicContact CB-CE1 3.48Å; F297-Y350 VanDerWaalsContact CB-CE1 3.48Å; F297-Y350 HydrophobicContact CB-CE2 4.42Å; F297-Y350 HydrophobicContact CB-CG 4.23Å; F297-Y350 AromaticContact CD1-CD1 3.91Å; F297-Y350 HydrophobicContact CD1-CD1 3.91Å; F297-Y350 HydrophobicContact CD1-CD2 4.13Å; F297-Y350 AromaticContact CD1-CG 3.7Å; F297-Y350 HydrophobicContact CD1-CG 3.7Å; F297-Y350 HydrophobicContact CE1-CG 4.44Å; F297-Y350 HydrophobicContact CG-CD1 4.13Å; F297-Y350 HydrophobicContact CG-CD2 4.37Å; F297-Y350 HydrophobicContact CG-CE1 4.27Å; F297-Y350 HydrophobicContact CG-CG 4.18Å; F297-L355 HydrophobicContact CD1-CD1 3.9Å; F297-L355 HydrophobicContact CE1-CD1 4.22Å; F297-L438 HydrophobicContact CD1-CD1 3.96Å; F297-L438 HydrophobicContact CD2-CD1 4.14Å; F297-L438 HydrophobicContact CE1-CD1 3.9Å; F297-L438 HydrophobicContact CE2-CD1 4.07Å; F297-L438 HydrophobicContact CG-CD1 4.08Å; F297-L438 HydrophobicContact CZ-CD1 3.95Å; F297-H445 PolarHBondContact O-NE2 3.08Å
298E93.5Very high94.9Very high114 Ų11426.7 Ų26.753%0.53312%0.116SC..THydrogen-bonded Turntrans-85.615.1176.1-60.6-172.8143.800113.3E294 T295 I296 G300 N516E294-E298 PolarHBondContact O-N 3.24Å; T295-E298 PolarHBondContact O-N 2.84Å; I296-E298 VanDerWaalsContact C-N 3.34Å; E298-G300 VanDerWaalsContact C-N 3.29Å; E298-N516 PolarHBondContact O-ND2 3.37Å; E298-N516 VanDerWaalsContact O-ND2 3.16Å
299R93.4Very high94.6Very high171 Ų17127.3 Ų27.365%0.64512%0.118SC*.THydrogen-bonded Turntrans66.822.6-175.8-49.6-178.9-170175.48.2115.4F297 H445F297-R299 PolarHBondContact O-N 3.04Å; R299-H445 WeakPolarHBondContact CA-O 3.31Å; R299-H445 WeakPolarHBondContact CB-O 3.38Å
300G91.4Very high94.2Very high1 Ų129.7 Ų29.71%0.0113%0.133CC..  trans-88.4172.917500000113.7T295 E298 G446 N516T295-G300 VanDerWaalsContact O-CA 3.3Å; T295-G300 WeakPolarHBondContact O-CA 3.5Å; T295-G300 PolarHBondContact O-N 3.5Å; E298-G300 VanDerWaalsContact C-N 3.29Å; G300-G446 WeakPolarHBondContact O-CA 3.1Å; G300-N516 CarbonylContact C-O 3.54Å; G300-N516 VanDerWaalsContact CA-CG 3.46Å; G300-N516 WeakPolarHBondContact CA-ND2 3.33Å; G300-N516 WeakPolarHBondContact CA-O 3.36Å; G300-N516 PolarHBondContact N-ND2 2.84Å
301M91.2Very high93.8Very high30 Ų3027.4 Ų27.415%0.14814%0.141CC..EExtended strand (participates in β ladder)trans-104.8133.6170.6-56.7-64.3-108.100108.3K447 D510 N516 S517 R518M301-K447 HydrophobicContact CE-CB 4.22Å; M301-K447 HydrophobicContact CE-CD 4.45Å; M301-K447 VanDerWaalsContact CE-CE 3.44Å; M301-K447 HydrophobicContact SD-CB 3.8Å; M301-D510 HydrophobicContact CE-CB 3.94Å; M301-N516 PolarHBondContact N-O 3.29Å; M301-S517 WeakPolarHBondContact O-CA 3.35Å; M301-S517 PolarHBondContact O-OG 2.96Å; M301-R518 PolarHBondContact O-N 3.1Å
302A93.9Very high93.6Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-119.8141.3178.400000109.6L292 I296 K447 F448 S449 R518L292-A302 HydrophobicContact CB-CB 3.96Å; I296-A302 HydrophobicContact CG2-CB 3.62Å; A302-K447 PolarHBondContact N-O 3.04Å; A302-F448 HydrophobicContact CB-CB 4.12Å; A302-F448 HydrophobicContact CB-CD1 4.33Å; A302-F448 HydrophobicContact CB-CD2 3.42Å; A302-F448 VanDerWaalsContact CB-CD2 3.42Å; A302-F448 HydrophobicContact CB-CE2 3.8Å; A302-F448 HydrophobicContact CB-CG 3.71Å; A302-F448 HydrophobicContact CB-CZ 4.41Å; A302-F448 CarbonylContact O-C 3.57Å; A302-F448 WeakPolarHBondContact O-CA 3.4Å; A302-S449 PolarHBondContact O-N 3.48Å; A302-R518 WeakPolarHBondContact CA-O 3.5Å
303T94Very high93.5Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-141.1132.8171.1-77.50000111.4L292 F305 S449 I451 S511 R518 T519 C520L292-T303 WeakPolarHBondContact CD1-O 3.18Å; T303-F305 HydrophobicContact CG2-CD1 4.2Å; T303-S449 CarbonylContact C-O 3.57Å; T303-S449 VanDerWaalsContact CA-O 3.28Å; T303-S449 WeakPolarHBondContact CA-O 3.37Å; T303-I451 HydrophobicContact CG2-CD1 3.65Å; T303-S511 VanDerWaalsContact OG1-CB 3.22Å; T303-S511 WeakPolarHBondContact OG1-CB 3.48Å; T303-S511 PolarHBondContact OG1-OG 2.81Å; T303-S511 VanDerWaalsContact OG1-OG 3.13Å; T303-R518 PolarHBondContact N-O 2.94Å; T303-T519 HydrophobicContact CG2-CG2 4.46Å; T303-T519 CarbonylContact O-C 3.24Å; T303-T519 VanDerWaalsContact O-CA 3.27Å; T303-T519 WeakPolarHBondContact O-CA 3.24Å; T303-C520 PolarHBondContact O-N 2.94Å
304C95.9Very high93.4Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-128.9123.3171.3-173.50000109.4A289 L292 F448 S449 L450 I451 C520A289-C304 HydrophobicContact CB-CB 4.19Å; L292-C304 HydrophobicContact CD1-CB 4.29Å; C304-F448 HydrophobicContact CB-CE2 3.94Å; C304-F448 HydrophobicContact CB-CZ 4.36Å; C304-S449 PolarHBondContact N-O 3.48Å; C304-L450 HydrophobicContact CB-CD2 3.76Å; C304-L450 WeakPolarHBondContact O-CA 3.36Å; C304-I451 PolarHBondContact O-N 3.05Å; C304-C520 VanDerWaalsContact CA-O 3.31Å; C304-C520 WeakPolarHBondContact CA-O 3.32Å; C304-C520 HydrophobicContact CB-CB 4.37Å
305F94.8Very high93.2Very high2 Ų224.5 Ų24.51%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-125.1134.4179.863-91.7000113.2T303 I451 L453 L483 I487 F512 T519 C520 M521 I522T303-F305 HydrophobicContact CG2-CD1 4.2Å; F305-I451 WeakPolarHBondContact CA-O 3.19Å; F305-I451 HydrophobicContact CB-CB 3.82Å; F305-I451 HydrophobicContact CB-CD1 4.14Å; F305-I451 HydrophobicContact CB-CG2 4.3Å; F305-L453 HydrophobicContact CB-CD1 4.39Å; F305-L453 HydrophobicContact CB-CG 4.5Å; F305-L453 HydrophobicContact CD2-CD1 3.75Å; F305-L453 HydrophobicContact CE2-CD1 4.47Å; F305-L453 HydrophobicContact CG-CD1 4.43Å; F305-L483 HydrophobicContact CE2-CD2 4.5Å; F305-I487 HydrophobicContact CZ-CD1 4.48Å; F305-F512 HydrophobicContact CE1-CZ 4.17Å; F305-T519 HydrophobicContact CD1-CG2 4.18Å; F305-T519 HydrophobicContact CE1-CG2 3.66Å; F305-C520 PolarHBondContact N-O 3.16Å; F305-M521 HydrophobicContact CD2-CB 4.42Å; F305-M521 HydrophobicContact CD2-CG 4.12Å; F305-M521 HydrophobicContact CE1-CB 4.16Å; F305-M521 HydrophobicContact CE2-CB 3.8Å; F305-M521 HydrophobicContact CE2-CE 4.44Å; F305-M521 HydrophobicContact CE2-CG 3.46Å; F305-M521 VanDerWaalsContact CE2-CG 3.46Å; F305-M521 HydrophobicContact CE2-SD 3.79Å; F305-M521 HydrophobicContact CZ-CB 3.65Å; F305-M521 HydrophobicContact CZ-CG 3.8Å; F305-M521 HydrophobicContact CZ-SD 4Å; F305-I522 PolarHBondContact O-N 2.85Å
306A96.3Very high93.1Very high0 Ų027.9 Ų27.90%015%0.148CC..EExtended strand (participates in β ladder)trans-88133.7168.800000110.5K314 M318 I451 L453 I522A306-K314 HydrophobicContact CB-CB 3.91Å; A306-K314 HydrophobicContact CB-CG 4.22Å; A306-M318 HydrophobicContact CB-CG 3.61Å; A306-M318 HydrophobicContact CB-SD 3.91Å; A306-I451 PolarHBondContact N-O 2.76Å; A306-L453 VanDerWaalsContact O-CB 3.3Å; A306-L453 WeakPolarHBondContact O-CB 3.48Å; A306-L453 WeakPolarHBondContact O-CG 3.22Å; A306-L453 PolarHBondContact O-N 3.06Å; A306-I522 WeakPolarHBondContact CA-O 3.38Å
307Y94.9Very high93.1Very high19 Ų1928 Ų288%0.07515%0.148CC..EExtended strand (participates in β ladder)trans-136.5149.5-176.7177-92.4000111.1L453 N456 L480 M521 I522 A523 T524 T538 Y541Y307-L453 HydrophobicContact CD2-CD1 3.92Å; Y307-N456 VanDerWaalsContact CE1-ND2 3.25Å; Y307-N456 WeakPolarHBondContact CE1-ND2 3.32Å; Y307-N456 HydrophobicContact CE2-CB 4.04Å; Y307-N456 WeakPolarHBondContact OH-CB 3.45Å; Y307-N456 PolarHBondContact OH-ND2 3.2Å; Y307-L480 HydrophobicContact CD2-CD2 4.24Å; Y307-L480 HydrophobicContact CE2-CD1 4.14Å; Y307-L480 HydrophobicContact CE2-CD2 4.01Å; Y307-M521 HydrophobicContact CD1-CE 3.64Å; Y307-M521 HydrophobicContact CE1-CE 4.43Å; Y307-M521 HydrophobicContact CG-CE 3.94Å; Y307-I522 PolarHBondContact N-O 2.62Å; Y307-A523 CarbonylContact O-C 3.58Å; Y307-A523 WeakPolarHBondContact O-CA 3.45Å; Y307-T524 PolarHBondContact O-N 2.94Å; Y307-T524 PolarHBondContact O-OG1 3.34Å; Y307-T538 HydrophobicContact CD1-CG2 3.97Å; Y307-T538 HydrophobicContact CE1-CG2 4Å; Y307-Y541 AromaticContact CD1-CD1 3.64Å; Y307-Y541 HydrophobicContact CD1-CD1 3.64Å; Y307-Y541 HydrophobicContact CD1-CE1 4.04Å; Y307-Y541 HydrophobicContact CD2-CD1 4.32Å; Y307-Y541 AromaticContact CD2-CE1 4Å; Y307-Y541 HydrophobicContact CD2-CE1 4Å; Y307-Y541 AromaticContact CE1-CD1 3.2Å; Y307-Y541 HydrophobicContact CE1-CD1 3.2Å; Y307-Y541 AromaticContact CE1-CE1 3.87Å; Y307-Y541 HydrophobicContact CE1-CE1 3.87Å; Y307-Y541 AromaticContact CE1-CG 3.97Å; Y307-Y541 HydrophobicContact CE1-CG 3.97Å; Y307-Y541 AromaticContact CE2-CD1 3.94Å; Y307-Y541 HydrophobicContact CE2-CD1 3.94Å; Y307-Y541 AromaticContact CE2-CE1 3.79Å; Y307-Y541 HydrophobicContact CE2-CE1 3.79Å; Y307-Y541 HydrophobicContact CG-CD1 4.18Å; Y307-Y541 HydrophobicContact CG-CE1 4.11Å; Y307-Y541 AromaticContact CZ-CD1 3.35Å; Y307-Y541 AromaticContact CZ-CE1 3.72Å; Y307-Y541 AromaticContact CZ-CG 3.99Å
308G94.3Very high93.1Very high0 Ų027.7 Ų27.70%015%0.147CC..SBendtrans138.6-178.5178.700000112.5K314 N456G308-K314 PolarHBondContact O-NZ 3.11Å; G308-N456 PolarHBondContact O-OD1 2.96Å
309Q90.2Very high92.9Very high17 Ų1722.4 Ų22.48%0.07912%0.123CC..  trans-64.7161.7-174.361.9179100.300112.7S312 K314 N456 S526 S531 N534Q309-S312 WeakPolarHBondContact O-CB 3.41Å; Q309-S312 PolarHBondContact O-N 3.31Å; Q309-S312 PolarHBondContact O-OG 3.4Å; Q309-K314 PolarHBondContact O-NZ 2.87Å; Q309-N456 WeakPolarHBondContact CA-OD1 3.44Å; Q309-N456 PolarHBondContact N-OD1 3.36Å; Q309-S526 PolarHBondContact NE2-OG 3.47Å; Q309-S526 VanDerWaalsContact NE2-OG 3.13Å; Q309-S526 PolarHBondContact OE1-OG 3.38Å; Q309-S531 PolarHBondContact NE2-OG 2.82Å; Q309-S531 VanDerWaalsContact NE2-OG 3.11Å; Q309-N534 HydrophobicContact CB-CB 4.12Å
310T88.4Confident92.7Very high50 Ų5014.2 Ų14.231%0.3079%0.092SC..THydrogen-bonded Turntrans-58140.7162.4-73.30000110.8S312 S428 E457T310-S312 VanDerWaalsContact C-N 3.29Å; T310-S312 PolarHBondContact O-N 2.69Å; T310-S428 WeakPolarHBondContact OG1-CB 3.48Å; T310-E457 WeakPolarHBondContact CB-OE1 3.39Å; T310-E457 PolarHBondContact N-OE2 3.31Å; T310-E457 PolarHBondContact OG1-OE1 3.02Å; T310-E457 PolarHBondContact OG1-OE2 3.21Å
311G87.9Confident92.3Very high54 Ų5416.4 Ų16.456%0.55710%0.103SC*.THydrogen-bonded Turntrans79.3-9.6-172.700000116.1R226 G313R226-G311 WeakPolarHBondContact CD-O 3.43Å; R226-G311 PolarHBondContact NE-O 3.34Å; G311-G313 VanDerWaalsContact C-N 3.34Å; G311-G313 PolarHBondContact O-N 3.23Å
312S92.8Very high91.7Very high2 Ų219.3 Ų19.31%0.01412%0.115CC..SBendtrans-70.6-20-177.858.10000115.9Q309 T310 T524Q309-S312 WeakPolarHBondContact O-CB 3.41Å; Q309-S312 PolarHBondContact O-N 3.31Å; Q309-S312 PolarHBondContact O-OG 3.4Å; T310-S312 VanDerWaalsContact C-N 3.29Å; T310-S312 PolarHBondContact O-N 2.69Å; S312-T524 WeakPolarHBondContact CB-O 3.3Å; S312-T524 PolarHBondContact OG-O 3.29Å; S312-T524 PolarHBondContact OG-OG1 3.36Å
313G92.8Very high90.7Very high21 Ų2123.1 Ų23.122%0.21614%0.142CC..SBendtrans114.29.8178.100000116.6G311 T315 H316 T317G311-G313 VanDerWaalsContact C-N 3.34Å; G311-G313 PolarHBondContact O-N 3.23Å; G313-T315 PolarHBondContact O-N 3.07Å; G313-H316 PolarHBondContact O-N 2.81Å; G313-T317 PolarHBondContact O-N 3.09Å; G313-T317 PolarHBondContact O-OG1 2.85Å
314K94.2Very high89.6Confident8 Ų826.7 Ų26.74%0.03518%0.178CC..Hα-helixtrans-46.2-63.4174.9-58.1-172.3-64.9-770113A306 G308 Q309 H316 T317 M318 D452 L453 A454 T524A306-K314 HydrophobicContact CB-CB 3.91Å; A306-K314 HydrophobicContact CB-CG 4.22Å; G308-K314 PolarHBondContact O-NZ 3.11Å; Q309-K314 PolarHBondContact O-NZ 2.87Å; K314-H316 VanDerWaalsContact C-N 3.29Å; K314-H316 PolarHBondContact O-N 3.33Å; K314-T317 WeakPolarHBondContact O-CB 3.31Å; K314-T317 PolarHBondContact O-N 3.15Å; K314-M318 PolarHBondContact O-N 2.92Å; K314-D452 WeakPolarHBondContact CB-OD1 3.46Å; K314-L453 WeakPolarHBondContact CE-O 3.48Å; K314-A454 VanDerWaalsContact CE-O 3.27Å; K314-A454 WeakPolarHBondContact CE-O 3.3Å; K314-T524 VanDerWaalsContact CG-OG1 3.22Å; K314-T524 WeakPolarHBondContact CG-OG1 3.39Å; K314-T524 PolarHBondContact N-OG1 2.93Å
315T91.2Very high88.2Confident19 Ų1936.6 Ų36.612%0.11722%0.222CC..Hα-helixtrans-67-27.3-176.5-41.40000113.1G313 G319 F322 Q327 D452G313-T315 PolarHBondContact O-N 3.07Å; T315-G319 VanDerWaalsContact O-CA 3.31Å; T315-G319 WeakPolarHBondContact O-CA 3.35Å; T315-G319 PolarHBondContact O-N 3.16Å; T315-F322 HydrophobicContact CG2-CZ 4.11Å; T315-Q327 PolarHBondContact O-NE2 3.01Å; T315-D452 VanDerWaalsContact CA-OD1 3.29Å; T315-D452 WeakPolarHBondContact CA-OD1 3.47Å; T315-D452 WeakPolarHBondContact CB-OD2 3.4Å; T315-D452 WeakPolarHBondContact CG2-OD2 3.41Å; T315-D452 PolarHBondContact N-OD1 3Å; T315-D452 PolarHBondContact OG1-OD1 3.48Å; T315-D452 PolarHBondContact OG1-OD2 2.97Å
316H92.3Very high87.1Confident73 Ų7342 Ų4234%0.33825%0.251SS..Hα-helixtrans-68.3-37.7171.9-174.9-45.2000111.5N281 G313 K314 G320 D321N281-H316 PolarHBondContact ND2-O 3.03Å; G313-H316 PolarHBondContact O-N 2.81Å; K314-H316 VanDerWaalsContact C-N 3.29Å; K314-H316 PolarHBondContact O-N 3.33Å; H316-G320 CarbonylContact O-C 3.52Å; H316-G320 WeakPolarHBondContact O-CA 3.45Å; H316-G320 PolarHBondContact O-N 2.96Å; H316-G320 VanDerWaalsContact O-N 3.14Å; H316-D321 IonicContact CE1-OD1 2.88Å; H316-D321 PolarHBondContact CE1-OD1 3.02Å; H316-D321 IonicContact ND1-OD1 2.79Å; H316-D321 IonicContact NE2-OD1 2.87Å
317T95.9Very high86.3Confident1 Ų144 Ų441%0.00626%0.26CS..Hα-helixtrans-71.7-47.2178.2-53.10000110.7R224 V284 G313 K314 I333 I522R224-T317 PolarHBondContact NH1-OG1 2.79Å; V284-T317 HydrophobicContact CG1-CG2 4.07Å; G313-T317 PolarHBondContact O-N 3.09Å; G313-T317 PolarHBondContact O-OG1 2.85Å; K314-T317 WeakPolarHBondContact O-CB 3.31Å; K314-T317 PolarHBondContact O-N 3.15Å; T317-I333 HydrophobicContact CG2-CD1 3.76Å; T317-I333 HydrophobicContact CG2-CG1 4.48Å; T317-I333 WeakPolarHBondContact O-CG1 3.26Å; T317-I333 PolarHBondContact O-N 2.67Å; T317-I522 HydrophobicContact CG2-CD1 4.3Å; T317-I522 HydrophobicContact CG2-CG2 4.49Å
318M95.4Very high85.9Confident0 Ų045.6 Ų45.60%027%0.27CS..Hα-helixtrans-77.5-47.6-176.8-59.1-52.7-67.200113A306 K314 G332 I333 Y334 L450 D452A306-M318 HydrophobicContact CB-CG 3.61Å; A306-M318 HydrophobicContact CB-SD 3.91Å; K314-M318 PolarHBondContact O-N 2.92Å; M318-G332 CarbonylContact O-C 3.51Å; M318-G332 VanDerWaalsContact O-C 3.3Å; M318-G332 VanDerWaalsContact O-CA 3.29Å; M318-G332 WeakPolarHBondContact O-CA 3.36Å; M318-I333 HydrophobicContact CE-CG2 4.2Å; M318-I333 PolarHBondContact O-N 3.23Å; M318-I333 HydrophobicContact SD-CB 4.36Å; M318-I333 HydrophobicContact SD-CD1 4.28Å; M318-Y334 HydrophobicContact CB-CE1 3.95Å; M318-Y334 HydrophobicContact CB-CE2 4.2Å; M318-Y334 HydrophobicContact CE-CD1 4.27Å; M318-Y334 HydrophobicContact CE-CE1 3.79Å; M318-Y334 VanDerWaalsContact O-CD2 3.28Å; M318-Y334 WeakPolarHBondContact O-CD2 3.36Å; M318-Y334 VanDerWaalsContact O-CG 3.25Å; M318-Y334 PolarHBondContact O-N 2.93Å; M318-L450 HydrophobicContact CE-CB 3.89Å; M318-L450 HydrophobicContact CE-CD2 4.46Å; M318-D452 HydrophobicContact CB-CB 4.12Å; M318-D452 HydrophobicContact CG-CB 4.1Å
319G89.6Confident85.6Confident2 Ų245.9 Ų45.92%0.02127%0.272CS..Hα-helixtrans-102.8-8.1-171.700000116.4T315 Q327 C329T315-G319 VanDerWaalsContact O-CA 3.31Å; T315-G319 WeakPolarHBondContact O-CA 3.35Å; T315-G319 PolarHBondContact O-N 3.16Å; G319-Q327 PolarHBondContact O-NE2 3.08Å; G319-C329 WeakPolarHBondContact O-CA 3.41Å
320G88.8Confident85.5Confident0 Ų047.9 Ų47.90%029%0.288CS..  trans98.5177175.700000115.6H316 Q327 D328 G332H316-G320 CarbonylContact O-C 3.52Å; H316-G320 WeakPolarHBondContact O-CA 3.45Å; H316-G320 PolarHBondContact O-N 2.96Å; H316-G320 VanDerWaalsContact O-N 3.14Å; G320-Q327 PolarHBondContact O-NE2 2.93Å; G320-D328 WeakPolarHBondContact CA-O 3.37Å; G320-G332 VanDerWaalsContact N-CA 3.32Å
321D83.5Confident85.5Confident47 Ų4749.7 Ų49.725%0.25129%0.291SS..EExtended strand (participates in β ladder)trans-65.1152.4-170.1-52.5-6.5000112.8H316 Q327 D328 K331H316-D321 IonicContact CE1-OD1 2.88Å; H316-D321 PolarHBondContact CE1-OD1 3.02Å; H316-D321 IonicContact ND1-OD1 2.79Å; H316-D321 IonicContact NE2-OD1 2.87Å; D321-Q327 CarbonylContact O-C 3.49Å; D321-Q327 WeakPolarHBondContact O-CA 3.46Å; D321-Q327 WeakPolarHBondContact O-CG 3.44Å; D321-D328 HydrophobicContact CB-CB 4.34Å; D321-D328 PolarHBondContact O-N 3.05Å; D321-K331 WeakPolarHBondContact OD2-CD 3.34Å; D321-K331 WeakPolarHBondContact OD2-CE 3.42Å; D321-K331 IonicContact OD2-NZ 2.77Å; D321-K331 PolarHBondContact OD2-NZ 2.91Å
322F79Confident85.8Confident90 Ų9047.1 Ų47.140%0.39527%0.265SS..EExtended strand (participates in β ladder)trans-109.8119.9176.2-70.2-89.5000112.5T315 N326 Q327T315-F322 HydrophobicContact CG2-CZ 4.11Å; F322-N326 CarbonylContact C-O 3.51Å; F322-N326 WeakPolarHBondContact CA-O 3.43Å; F322-Q327 HydrophobicContact CD1-CB 4Å; F322-Q327 HydrophobicContact CD1-CG 4.07Å; F322-Q327 HydrophobicContact CE1-CB 3.9Å; F322-Q327 HydrophobicContact CE1-CG 3.83Å; F322-Q327 HydrophobicContact CE2-CG 4.4Å; F322-Q327 HydrophobicContact CG-CG 4.47Å; F322-Q327 HydrophobicContact CZ-CG 4.01Å
323S72.6Confident86.1Confident81 Ų8147 Ų4757%0.56626%0.264SS*.EExtended strand (participates in β ladder)trans-102.681.9169.553.80000110.2K325 N326S323-K325 PolarHBondContact O-N 3.35Å; S323-K325 VanDerWaalsContact O-N 3.13Å; S323-N326 PolarHBondContact N-O 3.37Å; S323-N326 PolarHBondContact O-N 2.86Å
324G71.8Confident86.2Confident74 Ų7446.2 Ų46.276%0.76326%0.255SS*.THydrogen-bonded Turntrans71.5-103.6-176.300000111.7
325K66.3Low86.3Confident208 Ų20846 Ų4690%0.90425%0.254SS*.THydrogen-bonded Turntrans-97.2-15.8173.7-71-173.4178.6-178.80113.5S323S323-K325 PolarHBondContact O-N 3.35Å; S323-K325 VanDerWaalsContact O-N 3.13Å
326N71.6Confident86.5Confident116 Ų11645.5 Ų45.562%0.6225%0.251SS*.EExtended strand (participates in β ladder)trans-89.4143.6-177.5-63.6-3.4000109.6F322 S323F322-N326 CarbonylContact C-O 3.51Å; F322-N326 WeakPolarHBondContact CA-O 3.43Å; S323-N326 PolarHBondContact N-O 3.37Å; S323-N326 PolarHBondContact O-N 2.86Å
327Q79.8Confident86.8Confident41 Ų4142 Ų4219%0.19224%0.235CC..EExtended strand (participates in β ladder)trans-112.9120.6176-168.9172.417.600110.2T315 G319 G320 D321 F322 C329 N413T315-Q327 PolarHBondContact O-NE2 3.01Å; G319-Q327 PolarHBondContact O-NE2 3.08Å; G320-Q327 PolarHBondContact O-NE2 2.93Å; D321-Q327 CarbonylContact O-C 3.49Å; D321-Q327 WeakPolarHBondContact O-CA 3.46Å; D321-Q327 WeakPolarHBondContact O-CG 3.44Å; F322-Q327 HydrophobicContact CD1-CB 4Å; F322-Q327 HydrophobicContact CD1-CG 4.07Å; F322-Q327 HydrophobicContact CE1-CB 3.9Å; F322-Q327 HydrophobicContact CE1-CG 3.83Å; F322-Q327 HydrophobicContact CE2-CG 4.4Å; F322-Q327 HydrophobicContact CG-CG 4.47Å; F322-Q327 HydrophobicContact CZ-CG 4.01Å; Q327-C329 VanDerWaalsContact C-N 3.32Å; Q327-C329 PolarHBondContact O-N 3.46Å; Q327-C329 PolarHBondContact O-SG 2.88Å; Q327-N413 PolarHBondContact OE1-ND2 2.69Å
328D85.8Confident86.9Confident53 Ų5342 Ų4228%0.28324%0.235SC..EExtended strand (participates in β ladder)trans-75.785.7173.1179.42000109.4G320 D321 S330 K331G320-D328 WeakPolarHBondContact CA-O 3.37Å; D321-D328 HydrophobicContact CB-CB 4.34Å; D321-D328 PolarHBondContact O-N 3.05Å; D328-S330 PolarHBondContact O-N 2.97Å; D328-S330 VanDerWaalsContact O-N 3.13Å; D328-S330 WeakPolarHBondContact OD1-CB 3.41Å; D328-S330 PolarHBondContact OD1-N 2.81Å; D328-S330 PolarHBondContact OD1-OG 2.95Å; D328-K331 WeakPolarHBondContact OD2-CD 3.31Å; D328-K331 WeakPolarHBondContact OD2-CE 3.44Å; D328-K331 IonicContact OD2-NZ 2.7Å; D328-K331 PolarHBondContact OD2-NZ 3.2Å
329C87.1Confident87Confident6 Ų645.3 Ų45.34%0.04125%0.247CC..G310 helixtrans-64.7-15.7-176.2-63.90000113.1G319 Q327 K331 G332 A335 L406 I409G319-C329 WeakPolarHBondContact O-CA 3.41Å; Q327-C329 VanDerWaalsContact C-N 3.32Å; Q327-C329 PolarHBondContact O-N 3.46Å; Q327-C329 PolarHBondContact O-SG 2.88Å; C329-K331 PolarHBondContact O-N 3.33Å; C329-G332 PolarHBondContact O-N 2.95Å; C329-A335 WeakPolarHBondContact O-CB 3.36Å; C329-L406 HydrophobicContact CB-CD2 4.09Å; C329-I409 HydrophobicContact CB-CG2 4.07Å
330S88.4Confident87.4Confident59 Ų5945.7 Ų45.741%0.41325%0.249SC..G310 helixtrans-66.3-23.3-176.776.10000114.3D328D328-S330 PolarHBondContact O-N 2.97Å; D328-S330 VanDerWaalsContact O-N 3.13Å; D328-S330 WeakPolarHBondContact OD1-CB 3.41Å; D328-S330 PolarHBondContact OD1-N 2.81Å; D328-S330 PolarHBondContact OD1-OG 2.95Å
331K89Confident87.8Confident89 Ų8945.7 Ų45.739%0.38725%0.249SC..G310 helixtrans-103-0.8-177.9-61.6166.5-174.5149.70114.1N281 D321 D328 C329N281-K331 VanDerWaalsContact CB-O 3.25Å; N281-K331 WeakPolarHBondContact CB-O 3.25Å; N281-K331 PolarHBondContact ND2-O 2.82Å; D321-K331 WeakPolarHBondContact OD2-CD 3.34Å; D321-K331 WeakPolarHBondContact OD2-CE 3.42Å; D321-K331 IonicContact OD2-NZ 2.77Å; D321-K331 PolarHBondContact OD2-NZ 2.91Å; D328-K331 WeakPolarHBondContact OD2-CD 3.31Å; D328-K331 WeakPolarHBondContact OD2-CE 3.44Å; D328-K331 IonicContact OD2-NZ 2.7Å; D328-K331 PolarHBondContact OD2-NZ 3.2Å; C329-K331 PolarHBondContact O-N 3.33Å
332G94.9Very high88.5Confident0 Ų044.2 Ų44.20%024%0.24CC..SBendtrans-74.2149.8175.500000111.8M318 G320 C329 Y334 A335 L336M318-G332 CarbonylContact O-C 3.51Å; M318-G332 VanDerWaalsContact O-C 3.3Å; M318-G332 VanDerWaalsContact O-CA 3.29Å; M318-G332 WeakPolarHBondContact O-CA 3.36Å; G320-G332 VanDerWaalsContact N-CA 3.32Å; C329-G332 PolarHBondContact O-N 2.95Å; G332-Y334 PolarHBondContact O-N 2.76Å; G332-A335 PolarHBondContact O-N 3.37Å; G332-L336 WeakPolarHBondContact O-CG 3.35Å; G332-L336 PolarHBondContact O-N 3.35Å
333I97.4Very high89.3Confident0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-50.9-32.1173.1-74.3179.8000112.1V284 Y285 A289 T317 M318 A335 L336 A337 L450 I522V284-I333 HydrophobicContact CG1-CD1 4.34Å; Y285-I333 HydrophobicContact CD2-CG1 4.31Å; Y285-I333 HydrophobicContact CD2-CG2 4.31Å; A289-I333 HydrophobicContact CB-CG2 3.67Å; T317-I333 HydrophobicContact CG2-CD1 3.76Å; T317-I333 HydrophobicContact CG2-CG1 4.48Å; T317-I333 WeakPolarHBondContact O-CG1 3.26Å; T317-I333 PolarHBondContact O-N 2.67Å; M318-I333 HydrophobicContact CE-CG2 4.2Å; M318-I333 PolarHBondContact O-N 3.23Å; M318-I333 HydrophobicContact SD-CB 4.36Å; M318-I333 HydrophobicContact SD-CD1 4.28Å; I333-A335 PolarHBondContact O-N 2.75Å; I333-L336 PolarHBondContact O-N 2.61Å; I333-A337 VanDerWaalsContact O-CB 3.22Å; I333-A337 WeakPolarHBondContact O-CB 3.26Å; I333-A337 PolarHBondContact O-N 2.73Å; I333-L450 HydrophobicContact CG2-CD1 4.47Å; I333-L450 HydrophobicContact CG2-CD2 4.13Å; I333-I522 HydrophobicContact CD1-CD1 3.59Å
334Y95.5Very high90.5Very high4 Ų441.7 Ų41.72%0.01622%0.221CC..Hα-helixtrans-54.5-47.9172.8-58.3-32.7000113.1M318 G332 A338 F361 I409 F434 L450 D452M318-Y334 HydrophobicContact CB-CE1 3.95Å; M318-Y334 HydrophobicContact CB-CE2 4.2Å; M318-Y334 HydrophobicContact CE-CD1 4.27Å; M318-Y334 HydrophobicContact CE-CE1 3.79Å; M318-Y334 VanDerWaalsContact O-CD2 3.28Å; M318-Y334 WeakPolarHBondContact O-CD2 3.36Å; M318-Y334 VanDerWaalsContact O-CG 3.25Å; M318-Y334 PolarHBondContact O-N 2.93Å; G332-Y334 PolarHBondContact O-N 2.76Å; Y334-A338 WeakPolarHBondContact O-CB 3.28Å; Y334-A338 PolarHBondContact O-N 3.37Å; Y334-F361 HydrophobicContact CE2-CZ 4.15Å; Y334-I409 HydrophobicContact CD2-CG1 4.49Å; Y334-I409 HydrophobicContact CD2-CG2 4.14Å; Y334-I409 HydrophobicContact CG-CD1 4.48Å; Y334-F434 HydrophobicContact CD1-CB 3.97Å; Y334-F434 AromaticContact CD1-CD1 3.97Å; Y334-F434 HydrophobicContact CD1-CD1 3.97Å; Y334-F434 HydrophobicContact CD1-CG 4.27Å; Y334-F434 HydrophobicContact CE1-CB 3.79Å; Y334-F434 HydrophobicContact CG-CB 4.46Å; Y334-F434 HydrophobicContact CG-CD1 4.21Å; Y334-F434 HydrophobicContact CG-CG 4.45Å; Y334-L450 HydrophobicContact CD1-CB 3.56Å; Y334-L450 HydrophobicContact CD1-CD1 3.97Å; Y334-L450 HydrophobicContact CD1-CG 4.41Å; Y334-L450 HydrophobicContact CE1-CB 3.6Å; Y334-D452 WeakPolarHBondContact OH-CB 3.43Å
335A95.4Very high91.6Very high3 Ų340.1 Ų40.13%0.02519%0.194CC..Hα-helixtrans-76.5-38.7-179.200000112.5C329 G332 I333 A338 R339 L406C329-A335 WeakPolarHBondContact O-CB 3.36Å; G332-A335 PolarHBondContact O-N 3.37Å; I333-A335 PolarHBondContact O-N 2.75Å; A335-A338 PolarHBondContact O-N 3.11Å; A335-R339 VanDerWaalsContact O-CB 3.32Å; A335-R339 WeakPolarHBondContact O-CB 3.42Å; A335-R339 PolarHBondContact O-N 3.22Å; A335-L406 HydrophobicContact CB-CD2 3.66Å
336L97.3Very high93Very high9 Ų937.9 Ų37.95%0.04719%0.185CC..Hα-helixtrans-65-41.3178.3-58.5-179.2000111.7E282 Y285 G332 I333 R339 D340E282-L336 WeakPolarHBondContact OE2-CD2 3.22Å; Y285-L336 HydrophobicContact CD1-CB 3.74Å; Y285-L336 HydrophobicContact CD1-CD1 4.06Å; Y285-L336 HydrophobicContact CD1-CG 4.49Å; Y285-L336 HydrophobicContact CD2-CB 3.81Å; Y285-L336 HydrophobicContact CE1-CB 3.9Å; Y285-L336 HydrophobicContact CE2-CB 4Å; Y285-L336 HydrophobicContact CG-CB 3.72Å; Y285-L336 HydrophobicContact CG-CD1 3.83Å; Y285-L336 HydrophobicContact CG-CG 4.44Å; Y285-L336 PolarHBondContact OH-O 2.87Å; G332-L336 WeakPolarHBondContact O-CG 3.35Å; G332-L336 PolarHBondContact O-N 3.35Å; I333-L336 PolarHBondContact O-N 2.61Å; L336-R339 WeakPolarHBondContact O-CB 3.22Å; L336-R339 PolarHBondContact O-N 3.45Å; L336-D340 PolarHBondContact O-N 3.1Å; L336-D340 VanDerWaalsContact O-N 3.12Å
337A98Very high94.1Very high0 Ų036.4 Ų36.40%017%0.173CC..Hα-helixtrans-64.5-44.8172.800000111.7Y285 I333 R339 D340 V341 I436 F448 L450Y285-A337 HydrophobicContact CE2-CB 4.11Å; I333-A337 VanDerWaalsContact O-CB 3.22Å; I333-A337 WeakPolarHBondContact O-CB 3.26Å; I333-A337 PolarHBondContact O-N 2.73Å; A337-R339 PolarHBondContact O-N 3.05Å; A337-D340 PolarHBondContact O-N 2.79Å; A337-V341 WeakPolarHBondContact O-CB 3.27Å; A337-V341 VanDerWaalsContact O-CG2 3.27Å; A337-V341 WeakPolarHBondContact O-CG2 3.33Å; A337-V341 PolarHBondContact O-N 3.24Å; A337-I436 HydrophobicContact CB-CD1 4.33Å; A337-F448 HydrophobicContact CB-CE1 4.3Å; A337-L450 HydrophobicContact CB-CD1 3.72Å
338A97.4Very high94.7Very high1 Ų138.8 Ų38.81%0.00820%0.199CC..Hα-helixtrans-61.6-42.2177.100000112.6Y334 A335 V341 F342 T402 V405 I436Y334-A338 WeakPolarHBondContact O-CB 3.28Å; Y334-A338 PolarHBondContact O-N 3.37Å; A335-A338 PolarHBondContact O-N 3.11Å; A338-V341 PolarHBondContact O-N 3.42Å; A338-F342 WeakPolarHBondContact O-CD2 3.32Å; A338-F342 PolarHBondContact O-N 3.42Å; A338-T402 HydrophobicContact CB-CG2 4.41Å; A338-V405 HydrophobicContact CB-CB 4.05Å; A338-V405 HydrophobicContact CB-CG1 3.66Å; A338-V405 HydrophobicContact CB-CG2 4.15Å; A338-I436 HydrophobicContact CB-CD1 4.15Å
339R97.3Very high95Very high69 Ų6939.9 Ų39.926%0.2621%0.205SC..Hα-helixtrans-55.1-53174.3179.8-164.172.9-167.1-1.7111E282 A335 L336 A337 F342 Q343 T402E282-R339 IonicContact OE1-CZ 3.53Å; E282-R339 IonicContact OE1-NH1 3.39Å; E282-R339 PolarHBondContact OE1-NH1 3.38Å; E282-R339 IonicContact OE1-NH2 2.78Å; E282-R339 PolarHBondContact OE1-NH2 2.98Å; E282-R339 IonicContact OE2-CZ 3.63Å; E282-R339 IonicContact OE2-NH1 2.75Å; E282-R339 PolarHBondContact OE2-NH1 3.06Å; E282-R339 IonicContact OE2-NH2 3.63Å; A335-R339 VanDerWaalsContact O-CB 3.32Å; A335-R339 WeakPolarHBondContact O-CB 3.42Å; A335-R339 PolarHBondContact O-N 3.22Å; L336-R339 WeakPolarHBondContact O-CB 3.22Å; L336-R339 PolarHBondContact O-N 3.45Å; A337-R339 PolarHBondContact O-N 3.05Å; R339-F342 PolarHBondContact O-N 3.47Å; R339-Q343 WeakPolarHBondContact O-CG 3.45Å; R339-Q343 PolarHBondContact O-N 2.93Å; R339-T402 HydrophobicContact CB-CG2 4.15Å
340D97.9Very high95.3Very high9 Ų940.7 Ų40.75%0.04821%0.208CC..Hα-helixtrans-71-31.8-177.6-72.824.2000111.7Y285 R290 L336 A337 Q343 M344Y285-D340 WeakPolarHBondContact CE1-OD2 3.41Å; Y285-D340 VanDerWaalsContact OH-CB 3.25Å; Y285-D340 WeakPolarHBondContact OH-CB 3.39Å; Y285-D340 PolarHBondContact OH-OD2 3.17Å; R290-D340 IonicContact CZ-OD2 3.86Å; R290-D340 IonicContact NE-OD2 2.89Å; R290-D340 PolarHBondContact NE-OD2 3.04Å; R290-D340 IonicContact NH2-OD2 3.97Å; L336-D340 PolarHBondContact O-N 3.1Å; L336-D340 VanDerWaalsContact O-N 3.12Å; A337-D340 PolarHBondContact O-N 2.79Å; D340-Q343 WeakPolarHBondContact O-CB 3.29Å; D340-Q343 PolarHBondContact O-N 3.21Å; D340-M344 WeakPolarHBondContact O-CB 3.02Å; D340-M344 WeakPolarHBondContact O-CG 3.1Å; D340-M344 PolarHBondContact O-N 2.68Å
341V98.1Very high95.6Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-58.1-50.6168.9165.60000111.1V293 I296 F297 A337 A338 Q343 M344 L345 V357 I436 L438V293-V341 HydrophobicContact CG1-CG2 3.64Å; I296-V341 HydrophobicContact CD1-CG2 4.09Å; F297-V341 HydrophobicContact CE2-CG2 4.47Å; F297-V341 HydrophobicContact CZ-CG1 4.18Å; A337-V341 WeakPolarHBondContact O-CB 3.27Å; A337-V341 VanDerWaalsContact O-CG2 3.27Å; A337-V341 WeakPolarHBondContact O-CG2 3.33Å; A337-V341 PolarHBondContact O-N 3.24Å; A338-V341 PolarHBondContact O-N 3.42Å; V341-Q343 VanDerWaalsContact C-N 3.26Å; V341-Q343 PolarHBondContact O-N 2.96Å; V341-M344 PolarHBondContact O-N 2.95Å; V341-M344 VanDerWaalsContact O-N 3.08Å; V341-L345 HydrophobicContact CG1-CD1 3.87Å; V341-L345 VanDerWaalsContact O-CD1 3.27Å; V341-L345 WeakPolarHBondContact O-CD1 3.13Å; V341-L345 PolarHBondContact O-N 3.35Å; V341-V357 HydrophobicContact CG1-CG1 4.4Å; V341-V357 HydrophobicContact CG1-CG2 4.49Å; V341-I436 HydrophobicContact CG1-CG2 4.31Å; V341-I436 HydrophobicContact CG2-CD1 4.43Å; V341-I436 HydrophobicContact CG2-CG2 4.42Å; V341-L438 HydrophobicContact CG1-CD2 4.24Å
342F97.8Very high95.8Very high17 Ų1748.9 Ų48.98%0.07524%0.236CC..Hα-helixtrans-70-20.3178.5-74.9-63.8000113.6A338 R339 K346 V357 V399 C401 V405A338-F342 WeakPolarHBondContact O-CD2 3.32Å; A338-F342 PolarHBondContact O-N 3.42Å; R339-F342 PolarHBondContact O-N 3.47Å; F342-K346 WeakPolarHBondContact O-CD 3.29Å; F342-K346 VanDerWaalsContact O-CE 3.3Å; F342-K346 WeakPolarHBondContact O-CE 3.43Å; F342-K346 WeakPolarHBondContact O-CG 3.33Å; F342-V357 HydrophobicContact CD1-CG2 4.48Å; F342-V357 HydrophobicContact CE1-CB 4.16Å; F342-V357 HydrophobicContact CE1-CG2 3.86Å; F342-V357 HydrophobicContact CZ-CB 4.24Å; F342-V357 HydrophobicContact CZ-CG1 4.22Å; F342-V357 HydrophobicContact CZ-CG2 4.38Å; F342-V399 HydrophobicContact CZ-CB 4.27Å; F342-V399 HydrophobicContact CZ-CG2 4.01Å; F342-C401 VanDerWaalsContact CE2-O 3.27Å; F342-C401 WeakPolarHBondContact CE2-O 3.31Å; F342-V405 HydrophobicContact CE2-CG2 4.06Å
343Q96.7Very high95.7Very high103 Ų10350.3 Ų50.348%0.48124%0.243SC..Hα-helixtrans-73.7-42.2165.5-69.2176.421.200111.3R339 D340 V341 K346R339-Q343 WeakPolarHBondContact O-CG 3.45Å; R339-Q343 PolarHBondContact O-N 2.93Å; D340-Q343 WeakPolarHBondContact O-CB 3.29Å; D340-Q343 PolarHBondContact O-N 3.21Å; V341-Q343 VanDerWaalsContact C-N 3.26Å; V341-Q343 PolarHBondContact O-N 2.96Å; Q343-K346 WeakPolarHBondContact O-CB 3.3Å; Q343-K346 PolarHBondContact O-N 3.17Å; Q343-K346 VanDerWaalsContact O-N 3.08Å
344M96.3Very high95.5Very high14 Ų1455.6 Ų55.67%0.06927%0.271CS..Hα-helixtrans-66.5-36.2179.3-76.5-166.160.400113.4V293 E294 F297 D340 V341 K346 K347 Y350V293-M344 HydrophobicContact CB-SD 4.34Å; V293-M344 HydrophobicContact CG1-SD 3.66Å; E294-M344 HydrophobicContact CB-CE 4.26Å; E294-M344 HydrophobicContact CG-CE 3.95Å; E294-M344 WeakPolarHBondContact OE1-CE 3.41Å; F297-M344 HydrophobicContact CB-CE 4.32Å; F297-M344 HydrophobicContact CD2-CB 4.2Å; F297-M344 HydrophobicContact CD2-CE 3.49Å; F297-M344 VanDerWaalsContact CD2-CE 3.49Å; F297-M344 HydrophobicContact CD2-SD 4.06Å; F297-M344 HydrophobicContact CE1-CB 4Å; F297-M344 HydrophobicContact CE2-CB 3.53Å; F297-M344 HydrophobicContact CE2-CE 3.93Å; F297-M344 HydrophobicContact CE2-CG 4.29Å; F297-M344 HydrophobicContact CE2-SD 3.96Å; F297-M344 HydrophobicContact CG-CE 3.93Å; F297-M344 HydrophobicContact CZ-CB 3.41Å; F297-M344 VanDerWaalsContact CZ-CB 3.41Å; D340-M344 WeakPolarHBondContact O-CB 3.02Å; D340-M344 WeakPolarHBondContact O-CG 3.1Å; D340-M344 PolarHBondContact O-N 2.68Å; V341-M344 PolarHBondContact O-N 2.95Å; V341-M344 VanDerWaalsContact O-N 3.08Å; M344-K346 PolarHBondContact O-N 3.13Å; M344-K346 VanDerWaalsContact O-N 3.1Å; M344-K347 HydrophobicContact CB-CD 4.44Å; M344-K347 HydrophobicContact CE-CD 4.44Å; M344-K347 HydrophobicContact CG-CD 4.09Å; M344-K347 WeakPolarHBondContact O-CB 3.35Å; M344-K347 PolarHBondContact O-N 3.22Å; M344-Y350 HydrophobicContact CE-CD2 3.94Å; M344-Y350 HydrophobicContact CE-CE2 3.3Å
345L95.9Very high95.6Very high41 Ų4156.3 Ų56.322%0.21528%0.275CS..THydrogen-bonded Turntrans-53.8-29.7170-97.484.4000112.9F297 V341 V357 L438F297-L345 HydrophobicContact CE1-CD1 3.73Å; F297-L345 HydrophobicContact CE1-CG 4.38Å; F297-L345 HydrophobicContact CZ-CD1 3.75Å; V341-L345 HydrophobicContact CG1-CD1 3.87Å; V341-L345 VanDerWaalsContact O-CD1 3.27Å; V341-L345 WeakPolarHBondContact O-CD1 3.13Å; V341-L345 PolarHBondContact O-N 3.35Å; L345-V357 HydrophobicContact CD1-CG2 3.73Å; L345-V357 HydrophobicContact CD2-CG2 3.7Å; L345-V357 HydrophobicContact CG-CG2 4.39Å; L345-L438 HydrophobicContact CD1-CD2 4.34Å
346K94.8Very high95.7Very high162 Ų16259.2 Ų59.270%0.70429%0.288SS*.THydrogen-bonded Turntrans-84.2-18-178.3-61.2168.1-172.8174.70113F342 Q343 M344F342-K346 WeakPolarHBondContact O-CD 3.29Å; F342-K346 VanDerWaalsContact O-CE 3.3Å; F342-K346 WeakPolarHBondContact O-CE 3.43Å; F342-K346 WeakPolarHBondContact O-CG 3.33Å; Q343-K346 WeakPolarHBondContact O-CB 3.3Å; Q343-K346 PolarHBondContact O-N 3.17Å; Q343-K346 VanDerWaalsContact O-N 3.08Å; M344-K346 PolarHBondContact O-N 3.13Å; M344-K346 VanDerWaalsContact O-N 3.1Å
347K95.3Very high95.7Very high85 Ų8559 Ų5937%0.3729%0.288SS..SBendtrans-61.7137.6174.6-64.8173.9170.1177.90109.6E294 M344 N349 Y350 K351E294-K347 IonicContact OE1-NZ 2.81Å; E294-K347 PolarHBondContact OE1-NZ 2.83Å; M344-K347 HydrophobicContact CB-CD 4.44Å; M344-K347 HydrophobicContact CE-CD 4.44Å; M344-K347 HydrophobicContact CG-CD 4.09Å; M344-K347 WeakPolarHBondContact O-CB 3.35Å; M344-K347 PolarHBondContact O-N 3.22Å; K347-N349 VanDerWaalsContact C-N 3.26Å; K347-N349 WeakPolarHBondContact CB-OD1 3.41Å; K347-N349 PolarHBondContact O-N 2.86Å; K347-Y350 HydrophobicContact CB-CD2 4.03Å; K347-Y350 HydrophobicContact CD-CD2 3.88Å; K347-Y350 HydrophobicContact CD-CE2 3.76Å; K347-Y350 PolarHBondContact O-N 2.99Å; K347-Y350 VanDerWaalsContact O-N 3.09Å; K347-K351 WeakPolarHBondContact O-CB 3.46Å; K347-K351 PolarHBondContact O-N 2.97Å
348A92.8Very high95.7Very high90 Ų9060.8 Ų60.874%0.74430%0.295SS*.Hα-helixtrans-61.3-29.8-173.300000114.4
349N92.4Very high95.8Very high77 Ų7760.8 Ų60.841%0.41229%0.294SS..Hα-helixtrans-69.3-29.8176.963.2-28.3000113.5K347 K352K347-N349 VanDerWaalsContact C-N 3.26Å; K347-N349 WeakPolarHBondContact CB-OD1 3.41Å; K347-N349 PolarHBondContact O-N 2.86Å; N349-K352 WeakPolarHBondContact O-CE 2.93Å; N349-K352 WeakPolarHBondContact O-CG 3.4Å
350Y93.8Very high95.8Very high23 Ų2357.5 Ų57.59%0.0928%0.282CS..Hα-helixtrans-100.4-27.4178.4-54.7-59000113.4E294 F297 M344 K347 K352 L353E294-Y350 PolarHBondContact OE1-OH 2.79Å; F297-Y350 HydrophobicContact CB-CD1 3.68Å; F297-Y350 HydrophobicContact CB-CE1 3.48Å; F297-Y350 VanDerWaalsContact CB-CE1 3.48Å; F297-Y350 HydrophobicContact CB-CE2 4.42Å; F297-Y350 HydrophobicContact CB-CG 4.23Å; F297-Y350 AromaticContact CD1-CD1 3.91Å; F297-Y350 HydrophobicContact CD1-CD1 3.91Å; F297-Y350 HydrophobicContact CD1-CD2 4.13Å; F297-Y350 AromaticContact CD1-CG 3.7Å; F297-Y350 HydrophobicContact CD1-CG 3.7Å; F297-Y350 HydrophobicContact CE1-CG 4.44Å; F297-Y350 HydrophobicContact CG-CD1 4.13Å; F297-Y350 HydrophobicContact CG-CD2 4.37Å; F297-Y350 HydrophobicContact CG-CE1 4.27Å; F297-Y350 HydrophobicContact CG-CG 4.18Å; M344-Y350 HydrophobicContact CE-CD2 3.94Å; M344-Y350 HydrophobicContact CE-CE2 3.3Å; K347-Y350 HydrophobicContact CB-CD2 4.03Å; K347-Y350 HydrophobicContact CD-CD2 3.88Å; K347-Y350 HydrophobicContact CD-CE2 3.76Å; K347-Y350 PolarHBondContact O-N 2.99Å; K347-Y350 VanDerWaalsContact O-N 3.09Å; Y350-K352 PolarHBondContact O-N 3.04Å; Y350-K352 VanDerWaalsContact O-N 3.15Å; Y350-L353 HydrophobicContact CD1-CD1 3.92Å; Y350-L353 VanDerWaalsContact O-CB 3.23Å; Y350-L353 WeakPolarHBondContact O-CB 3.3Å; Y350-L353 PolarHBondContact O-N 2.94Å
351K93.5Very high95.7Very high159 Ų15957 Ų5769%0.69128%0.28SS*.Hα-helixtrans-53.7-36175.9-173.6176.4179.3-179.20113K347 L353 D354K347-K351 WeakPolarHBondContact O-CB 3.46Å; K347-K351 PolarHBondContact O-N 2.97Å; K351-L353 PolarHBondContact O-N 3.23Å; K351-D354 PolarHBondContact O-N 2.8Å
352K92.8Very high95.6Very high161 Ų16157 Ų5770%0.728%0.28SS*.THydrogen-bonded Turntrans-68.7-8.8175.466.2175.8-179.4-179.30115.1N349 Y350N349-K352 WeakPolarHBondContact O-CE 2.93Å; N349-K352 WeakPolarHBondContact O-CG 3.4Å; Y350-K352 PolarHBondContact O-N 3.04Å; Y350-K352 VanDerWaalsContact O-N 3.15Å
353L92.8Very high95.5Very high29 Ų2956.3 Ų56.315%0.15228%0.277CS..THydrogen-bonded Turntrans-83.2-22.7179.1-63.2177.5000112.4Y350 K351 L355 R440Y350-L353 HydrophobicContact CD1-CD1 3.92Å; Y350-L353 VanDerWaalsContact O-CB 3.23Å; Y350-L353 WeakPolarHBondContact O-CB 3.3Å; Y350-L353 PolarHBondContact O-N 2.94Å; K351-L353 PolarHBondContact O-N 3.23Å; L353-L355 HydrophobicContact CB-CD1 4.21Å; L353-L355 HydrophobicContact CB-CD2 4Å; L353-L355 HydrophobicContact CB-CG 3.74Å; L353-L355 HydrophobicContact CD1-CD1 4.06Å; L353-L355 HydrophobicContact CD1-CG 4.49Å; L353-R440 WeakPolarHBondContact O-CD 3.37Å; L353-R440 WeakPolarHBondContact O-CG 2.99Å; L353-R440 PolarHBondContact O-NE 2.64Å; L353-R440 PolarHBondContact O-NH2 3.11Å
354D94.1Very high95.3Very high111 Ų11151.8 Ų51.859%0.59426%0.256SS*.  trans56.863.9-176.4-16737.3000111.1K351K351-D354 PolarHBondContact O-N 2.8Å
355L96.8Very high95.1Very high19 Ų1953.9 Ų53.910%0.09926%0.263CS..EExtended strand (participates in β ladder)trans-97128.4-177.5-60.7-177.8000111.1F297 L353 L438 R439 R440 H445F297-L355 HydrophobicContact CD1-CD1 3.9Å; F297-L355 HydrophobicContact CE1-CD1 4.22Å; L353-L355 HydrophobicContact CB-CD1 4.21Å; L353-L355 HydrophobicContact CB-CD2 4Å; L353-L355 HydrophobicContact CB-CG 3.74Å; L353-L355 HydrophobicContact CD1-CD1 4.06Å; L353-L355 HydrophobicContact CD1-CG 4.49Å; L355-L438 HydrophobicContact CD1-CB 4.5Å; L355-L438 HydrophobicContact CD1-CD1 4.14Å; L355-R439 WeakPolarHBondContact CA-O 3.34Å; L355-R440 HydrophobicContact CD2-CB 3.72Å; L355-R440 HydrophobicContact CD2-CG 4.04Å; L355-H445 HydrophobicContact CD2-CB 4.04Å
356Q97.4Very high94.7Very high64 Ų6453.5 Ų53.530%0.29926%0.264SS..EExtended strand (participates in β ladder)trans-93135.9171.6-59.9171.6-84.100108.7Y358 R439Q356-Y358 HydrophobicContact CB-CD2 4.35Å; Q356-Y358 HydrophobicContact CB-CE2 3.58Å; Q356-Y358 PolarHBondContact NE2-OH 3.27Å; Q356-R439 PolarHBondContact N-O 3.28Å; Q356-R439 PolarHBondContact O-N 2.69Å
357V98.3Very high94.3Very high5 Ų547.3 Ų47.33%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-101.7128.5179.5-167.60000109.4V341 F342 L345 V399 I436 L438V341-V357 HydrophobicContact CG1-CG1 4.4Å; V341-V357 HydrophobicContact CG1-CG2 4.49Å; F342-V357 HydrophobicContact CD1-CG2 4.48Å; F342-V357 HydrophobicContact CE1-CB 4.16Å; F342-V357 HydrophobicContact CE1-CG2 3.86Å; F342-V357 HydrophobicContact CZ-CB 4.24Å; F342-V357 HydrophobicContact CZ-CG1 4.22Å; F342-V357 HydrophobicContact CZ-CG2 4.38Å; L345-V357 HydrophobicContact CD1-CG2 3.73Å; L345-V357 HydrophobicContact CD2-CG2 3.7Å; L345-V357 HydrophobicContact CG-CG2 4.39Å; V357-V399 HydrophobicContact CB-CG2 4.02Å; V357-V399 HydrophobicContact CG1-CG2 3.72Å; V357-V399 PolarHBondContact O-N 3.21Å; V357-I436 HydrophobicContact CG1-CG2 3.83Å; V357-L438 HydrophobicContact CB-CD2 4.45Å; V357-L438 HydrophobicContact CG1-CD2 4.27Å; V357-L438 HydrophobicContact CG2-CD2 3.88Å
358Y98.3Very high94.2Very high38 Ų3847.9 Ų47.915%0.14925%0.249CC..EExtended strand (participates in β ladder)trans-121.6149.4174.5-65.3-94.9000110.1Q356 E396 K397 E398 I437 R439Q356-Y358 HydrophobicContact CB-CD2 4.35Å; Q356-Y358 HydrophobicContact CB-CE2 3.58Å; Q356-Y358 PolarHBondContact NE2-OH 3.27Å; Y358-E396 HydrophobicContact CD1-CB 4.13Å; Y358-K397 CarbonylContact C-O 3.48Å; Y358-K397 VanDerWaalsContact CA-O 3.25Å; Y358-K397 WeakPolarHBondContact CA-O 3.25Å; Y358-E398 HydrophobicContact CD1-CB 3.96Å; Y358-E398 HydrophobicContact CE1-CB 3.63Å; Y358-E398 HydrophobicContact CE1-CG 4.04Å; Y358-I437 PolarHBondContact N-O 3.42Å; Y358-I437 PolarHBondContact O-N 2.67Å; Y358-R439 HydrophobicContact CD2-CB 4.13Å; Y358-R439 HydrophobicContact CD2-CG 3.91Å; Y358-R439 HydrophobicContact CE2-CB 3.93Å; Y358-R439 HydrophobicContact CE2-CG 4.07Å
359A98.1Very high94.3Very high0 Ų043.7 Ų43.70%021%0.214CC..EExtended strand (participates in β ladder)trans-122.3144.7174.300000111.3K397 V399 L408 F434 Q435A359-K397 PolarHBondContact N-O 3.25Å; A359-K397 PolarHBondContact O-N 2.53Å; A359-V399 HydrophobicContact CB-CG1 4.19Å; A359-V399 HydrophobicContact CB-CG2 4.3Å; A359-L408 HydrophobicContact CB-CD1 3.77Å; A359-F434 HydrophobicContact CB-CE2 4.08Å; A359-F434 HydrophobicContact CB-CZ 4.04Å; A359-Q435 VanDerWaalsContact CA-O 3.26Å; A359-Q435 WeakPolarHBondContact CA-O 3.24Å
360T97.5Very high94.4Very high0 Ų041.8 Ų41.80%020%0.202CC..EExtended strand (participates in β ladder)trans-128152.8167.172.20000109.4L394 E396 F434 Q435 I437T360-L394 HydrophobicContact CG2-CD2 3.85Å; T360-L394 HydrophobicContact CG2-CG 3.99Å; T360-E396 HydrophobicContact CG2-CB 4.39Å; T360-E396 HydrophobicContact CG2-CG 3.59Å; T360-F434 WeakPolarHBondContact O-CA 3.42Å; T360-F434 VanDerWaalsContact O-CD2 3.24Å; T360-F434 WeakPolarHBondContact O-CD2 3.46Å; T360-Q435 PolarHBondContact N-O 3.13Å; T360-Q435 PolarHBondContact O-N 3.04Å; T360-Q435 VanDerWaalsContact OG1-CB 3.32Å; T360-Q435 WeakPolarHBondContact OG1-CB 3.32Å; T360-Q435 WeakPolarHBondContact OG1-CG 3.45Å; T360-Q435 PolarHBondContact OG1-OE1 2.99Å; T360-Q435 VanDerWaalsContact OG1-OE1 3.09Å; T360-I437 HydrophobicContact CG2-CD1 3.94Å
361F97.1Very high94.6Very high0 Ų040.7 Ų40.70%020%0.198CC..EExtended strand (participates in β ladder)trans-144.7121.5170.8-154.7178.9000109.2Y334 L372 L373 I409 A432 F434Y334-F361 HydrophobicContact CE2-CZ 4.15Å; F361-L372 HydrophobicContact CB-CB 4.41Å; F361-L372 HydrophobicContact CD2-CD1 3.88Å; F361-L372 HydrophobicContact CE2-CD1 4.05Å; F361-L372 HydrophobicContact CG-CB 4.46Å; F361-L372 HydrophobicContact CG-CD1 4.13Å; F361-L372 HydrophobicContact CZ-CD1 4.4Å; F361-L372 WeakPolarHBondContact O-CB 3.44Å; F361-L372 PolarHBondContact O-N 2.92Å; F361-L373 HydrophobicContact CB-CD1 4.18Å; F361-L373 HydrophobicContact CB-CD2 3.76Å; F361-L373 HydrophobicContact CB-CG 3.78Å; F361-I409 HydrophobicContact CE1-CG2 4.48Å; F361-A432 HydrophobicContact CE2-CB 3.99Å; F361-F434 HydrophobicContact CB-CD2 4.01Å; F361-F434 HydrophobicContact CD1-CD2 4.11Å; F361-F434 HydrophobicContact CD2-CB 3.82Å; F361-F434 HydrophobicContact CD2-CD2 4.17Å; F361-F434 HydrophobicContact CE2-CB 3.89Å; F361-F434 HydrophobicContact CG-CB 4.38Å; F361-F434 AromaticContact CG-CD2 3.85Å; F361-F434 HydrophobicContact CG-CD2 3.85Å
362F95.9Very high94.6Very high0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-142.8161.5179.261.6-90.5000111.2I364 V369 F370 L394 V433 Q435 V507F362-I364 HydrophobicContact CD2-CG1 4.4Å; F362-I364 HydrophobicContact CE2-CD1 4.43Å; F362-I364 HydrophobicContact CE2-CG1 4.28Å; F362-V369 HydrophobicContact CB-CG1 4.45Å; F362-V369 HydrophobicContact CD2-CG1 3.63Å; F362-V369 HydrophobicContact CE2-CG1 4.19Å; F362-V369 HydrophobicContact CG-CG1 4.31Å; F362-F370 CarbonylContact C-O 3.45Å; F362-F370 VanDerWaalsContact CA-O 3.27Å; F362-F370 WeakPolarHBondContact CA-O 3.46Å; F362-F370 VanDerWaalsContact CB-O 3.28Å; F362-F370 WeakPolarHBondContact CB-O 3.25Å; F362-L394 HydrophobicContact CB-CD1 3.99Å; F362-L394 HydrophobicContact CD1-CD1 3.67Å; F362-L394 HydrophobicContact CD1-CD2 3.78Å; F362-L394 HydrophobicContact CD1-CG 4.41Å; F362-L394 HydrophobicContact CE1-CD1 4.5Å; F362-L394 HydrophobicContact CE1-CD2 3.79Å; F362-L394 HydrophobicContact CG-CD1 4.15Å; F362-V433 HydrophobicContact CD1-CB 4.39Å; F362-V433 HydrophobicContact CD2-CB 4.08Å; F362-V433 HydrophobicContact CD2-CG2 4.43Å; F362-V433 HydrophobicContact CE1-CB 3.99Å; F362-V433 HydrophobicContact CE1-CG1 3.84Å; F362-V433 HydrophobicContact CE2-CB 3.66Å; F362-V433 HydrophobicContact CE2-CG1 4.09Å; F362-V433 HydrophobicContact CE2-CG2 3.85Å; F362-V433 HydrophobicContact CG-CB 4.45Å; F362-V433 HydrophobicContact CZ-CB 3.62Å; F362-V433 HydrophobicContact CZ-CG1 3.53Å; F362-V433 HydrophobicContact CZ-CG2 4.16Å; F362-V433 PolarHBondContact N-O 2.87Å; F362-V433 PolarHBondContact O-N 3.01Å; F362-Q435 HydrophobicContact CE1-CG 4.29Å; F362-V507 HydrophobicContact CE2-CG1 4.1Å; F362-V507 HydrophobicContact CZ-CG1 3.79Å
363E94.7Very high94.8Very high2 Ų226.6 Ų26.61%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-117.5151.8171.668.8179.2168.100112.4V369 F370 L372 K376 H426 S430 H431E363-V369 WeakPolarHBondContact O-CA 3.42Å; E363-F370 HydrophobicContact CG-CB 4.12Å; E363-F370 HydrophobicContact CG-CD2 4.43Å; E363-F370 PolarHBondContact N-O 3.04Å; E363-F370 PolarHBondContact O-N 3.27Å; E363-L372 HydrophobicContact CB-CD1 4.21Å; E363-L372 HydrophobicContact CB-CD2 4.35Å; E363-L372 HydrophobicContact CB-CG 4.36Å; E363-L372 HydrophobicContact CG-CD2 3.95Å; E363-L372 HydrophobicContact CG-CG 4.37Å; E363-K376 VanDerWaalsContact OE1-CD 3.32Å; E363-K376 WeakPolarHBondContact OE1-CD 3.49Å; E363-K376 VanDerWaalsContact OE1-CE 3.22Å; E363-K376 WeakPolarHBondContact OE1-CE 3.5Å; E363-K376 IonicContact OE1-NZ 2.7Å; E363-K376 PolarHBondContact OE1-NZ 3.45Å; E363-K376 IonicContact OE2-NZ 3.67Å; E363-H426 IonicContact OE1-CE1 3.38Å; E363-H426 IonicContact OE2-CE1 3.76Å; E363-H426 PolarHBondContact OE2-CE1 3.08Å; E363-H426 VanDerWaalsContact OE2-CE1 3.31Å; E363-H426 IonicContact OE2-ND1 2.65Å; E363-S430 WeakPolarHBondContact OE2-CB 3.33Å; E363-S430 PolarHBondContact OE2-OG 2.82Å; E363-H431 CarbonylContact C-O 3.57Å; E363-H431 VanDerWaalsContact CA-O 3.26Å; E363-H431 WeakPolarHBondContact CA-O 3.44Å
364I93.8Very high94.8Very high8 Ų828 Ų284%0.04115%0.145CC..EExtended strand (participates in β ladder)trans-111.1116.8170-47.4-175.8000107.5F362 K368 V369 H431 K503 L504 V507F362-I364 HydrophobicContact CD2-CG1 4.4Å; F362-I364 HydrophobicContact CE2-CD1 4.43Å; F362-I364 HydrophobicContact CE2-CG1 4.28Å; I364-K368 CarbonylContact C-O 3.48Å; I364-K368 WeakPolarHBondContact CA-O 3.41Å; I364-V369 HydrophobicContact CG1-CG2 4.18Å; I364-V369 HydrophobicContact CG2-CG2 4.43Å; I364-H431 HydrophobicContact CB-CB 4.32Å; I364-H431 PolarHBondContact N-O 2.98Å; I364-H431 PolarHBondContact O-N 3.37Å; I364-K503 HydrophobicContact CG2-CB 4.11Å; I364-L504 HydrophobicContact CD1-CB 4.26Å; I364-L504 HydrophobicContact CD1-CD1 4.14Å; I364-V507 HydrophobicContact CD1-CB 4.48Å; I364-V507 HydrophobicContact CD1-CG2 4.32Å
365Y90.9Very high94.7Very high58 Ų5833.6 Ų33.623%0.22716%0.158CC..EExtended strand (participates in β ladder)trans-145.3130.8-170.7173-106.6000110G367 K368 F370 E472Y365-G367 VanDerWaalsContact C-N 3.33Å; Y365-G367 PolarHBondContact O-N 2.95Å; Y365-K368 PolarHBondContact N-O 2.99Å; Y365-K368 PolarHBondContact O-N 3.03Å; Y365-F370 HydrophobicContact CD1-CE2 4.02Å; Y365-E472 HydrophobicContact CE2-CG 3.84Å; Y365-E472 PolarHBondContact OH-OE1 3.26Å
366S87.4Confident94.4Very high33 Ų3335.1 Ų35.123%0.23116%0.164CC..THydrogen-bonded Turntrans45.853.1-179.4-172.10000113K368S366-K368 WeakPolarHBondContact O-CD 3.45Å; S366-K368 WeakPolarHBondContact O-CE 3.5Å; S366-K368 WeakPolarHBondContact O-CG 3.44Å; S366-K368 PolarHBondContact O-N 2.94Å
367G87.2Confident94.3Very high32 Ų3233.5 Ų33.533%0.3316%0.161SC..THydrogen-bonded Turntrans66.60-179.100000116.6Y365 E475 K503Y365-G367 VanDerWaalsContact C-N 3.33Å; Y365-G367 PolarHBondContact O-N 2.95Å; G367-E475 WeakPolarHBondContact CA-OE2 3.49Å; G367-E475 PolarHBondContact N-OE2 2.87Å; G367-K503 VanDerWaalsContact O-CG 3.32Å; G367-K503 WeakPolarHBondContact O-CG 3.17Å
368K91.9Very high94.2Very high97 Ų9740.5 Ų40.542%0.42219%0.191SC..EExtended strand (participates in β ladder)trans-114.3161.7-174.3-62.7142.6-165.9154.70110.6I364 Y365 S366 F370I364-K368 CarbonylContact C-O 3.48Å; I364-K368 WeakPolarHBondContact CA-O 3.41Å; Y365-K368 PolarHBondContact N-O 2.99Å; Y365-K368 PolarHBondContact O-N 3.03Å; S366-K368 WeakPolarHBondContact O-CD 3.45Å; S366-K368 WeakPolarHBondContact O-CE 3.5Å; S366-K368 WeakPolarHBondContact O-CG 3.44Å; S366-K368 PolarHBondContact O-N 2.94Å; K368-F370 HydrophobicContact CB-CD2 4.45Å; K368-F370 HydrophobicContact CB-CE2 3.55Å; K368-F370 HydrophobicContact CB-CZ 3.61Å; K368-F370 HydrophobicContact CD-CZ 4.13Å; K368-F370 HydrophobicContact CG-CZ 4.44Å
369V95.5Very high94.1Very high2 Ų239.5 Ų39.51%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-117.2136.3179-176.20000109.6F362 E363 I364 K378 L379 V381 V391 K503F362-V369 HydrophobicContact CB-CG1 4.45Å; F362-V369 HydrophobicContact CD2-CG1 3.63Å; F362-V369 HydrophobicContact CE2-CG1 4.19Å; F362-V369 HydrophobicContact CG-CG1 4.31Å; E363-V369 WeakPolarHBondContact O-CA 3.42Å; I364-V369 HydrophobicContact CG1-CG2 4.18Å; I364-V369 HydrophobicContact CG2-CG2 4.43Å; V369-K378 WeakPolarHBondContact O-CA 3.2Å; V369-L379 HydrophobicContact CB-CB 4.33Å; V369-L379 HydrophobicContact CG1-CB 4.24Å; V369-L379 HydrophobicContact CG1-CD1 4.27Å; V369-L379 PolarHBondContact O-N 2.96Å; V369-V381 HydrophobicContact CB-CG2 4.29Å; V369-V381 HydrophobicContact CG2-CG2 3.58Å; V369-V391 HydrophobicContact CG1-CG1 4.22Å; V369-K503 HydrophobicContact CG2-CB 4.36Å
370F95.2Very high93.9Very high37 Ų3747.5 Ų47.516%0.16222%0.218CC..EExtended strand (participates in β ladder)trans-135.2129.4-175.9-55.8-85.6000111.5F362 E363 Y365 K368 L372 K376 A377 K378F362-F370 CarbonylContact C-O 3.45Å; F362-F370 VanDerWaalsContact CA-O 3.27Å; F362-F370 WeakPolarHBondContact CA-O 3.46Å; F362-F370 VanDerWaalsContact CB-O 3.28Å; F362-F370 WeakPolarHBondContact CB-O 3.25Å; E363-F370 HydrophobicContact CG-CB 4.12Å; E363-F370 HydrophobicContact CG-CD2 4.43Å; E363-F370 PolarHBondContact N-O 3.04Å; E363-F370 PolarHBondContact O-N 3.27Å; Y365-F370 HydrophobicContact CD1-CE2 4.02Å; K368-F370 HydrophobicContact CB-CD2 4.45Å; K368-F370 HydrophobicContact CB-CE2 3.55Å; K368-F370 HydrophobicContact CB-CZ 3.61Å; K368-F370 HydrophobicContact CD-CZ 4.13Å; K368-F370 HydrophobicContact CG-CZ 4.44Å; F370-L372 PolarHBondContact O-N 3.46Å; F370-K376 HydrophobicContact CB-CB 4.17Å; F370-K376 WeakPolarHBondContact CD1-O 3.34Å; F370-A377 WeakPolarHBondContact CA-O 3.49Å; F370-K378 HydrophobicContact CD1-CB 3.98Å; F370-K378 HydrophobicContact CD1-CG 4.39Å; F370-K378 HydrophobicContact CE1-CB 3.93Å; F370-K378 HydrophobicContact CE1-CG 4.04Å
371D96.6Very high93.7Very high0 Ų048 Ų480%022%0.221CC..EExtended strand (participates in β ladder)trans-76.2115.4179.4-169.1-36.9000111.2L373 N374 K376 A377 L379 Q395D371-L373 WeakPolarHBondContact OD1-CA 3.27Å; D371-L373 WeakPolarHBondContact OD1-CB 3.25Å; D371-L373 PolarHBondContact OD1-N 2.85Å; D371-N374 HydrophobicContact CB-CB 3.87Å; D371-N374 VanDerWaalsContact CG-CB 3.47Å; D371-N374 CarbonylContact O-C 3.57Å; D371-N374 PolarHBondContact O-N 2.86Å; D371-N374 PolarHBondContact OD1-N 3.33Å; D371-K376 WeakPolarHBondContact O-CA 3.24Å; D371-K376 PolarHBondContact O-N 3.1Å; D371-A377 HydrophobicContact CB-CB 4.39Å; D371-A377 PolarHBondContact N-O 3.46Å; D371-L379 HydrophobicContact CB-CD1 4.03Å; D371-L379 HydrophobicContact CB-CD2 4.16Å; D371-L379 HydrophobicContact CB-CG 4.2Å; D371-Q395 PolarHBondContact OD2-N 2.77Å
372L95.2Very high93.4Very high1 Ų152.1 Ų52.11%0.00524%0.243CC..THydrogen-bonded Turntrans-78.8-21.2-179-64.5174.2000112.4F361 E363 F370 K376 C415 R416F361-L372 HydrophobicContact CB-CB 4.41Å; F361-L372 HydrophobicContact CD2-CD1 3.88Å; F361-L372 HydrophobicContact CE2-CD1 4.05Å; F361-L372 HydrophobicContact CG-CB 4.46Å; F361-L372 HydrophobicContact CG-CD1 4.13Å; F361-L372 HydrophobicContact CZ-CD1 4.4Å; F361-L372 WeakPolarHBondContact O-CB 3.44Å; F361-L372 PolarHBondContact O-N 2.92Å; E363-L372 HydrophobicContact CB-CD1 4.21Å; E363-L372 HydrophobicContact CB-CD2 4.35Å; E363-L372 HydrophobicContact CB-CG 4.36Å; E363-L372 HydrophobicContact CG-CD2 3.95Å; E363-L372 HydrophobicContact CG-CG 4.37Å; F370-L372 PolarHBondContact O-N 3.46Å; L372-K376 HydrophobicContact CD2-CG 4.42Å; L372-C415 HydrophobicContact CD2-CB 4.33Å; L372-R416 HydrophobicContact CD1-CB 4.25Å; L372-R416 HydrophobicContact CD2-CB 4.06Å
373L95.4Very high92.9Very high22 Ų2255 Ų5512%0.11526%0.256CS..THydrogen-bonded Turntrans-84.6-15.5173.8-52.9-175.4000111.9F361 D371 K397 L408F361-L373 HydrophobicContact CB-CD1 4.18Å; F361-L373 HydrophobicContact CB-CD2 3.76Å; F361-L373 HydrophobicContact CB-CG 3.78Å; D371-L373 WeakPolarHBondContact OD1-CA 3.27Å; D371-L373 WeakPolarHBondContact OD1-CB 3.25Å; D371-L373 PolarHBondContact OD1-N 2.85Å; L373-K397 HydrophobicContact CD1-CG 3.85Å; L373-L408 HydrophobicContact CD1-CD1 4.5Å; L373-L408 HydrophobicContact CD1-CD2 4.35Å; L373-L408 HydrophobicContact CD2-CB 4.11Å; L373-L408 HydrophobicContact CD2-CD2 4.14Å; L373-L408 WeakPolarHBondContact CD2-O 3.4Å
374N94.7Very high92.4Very high59 Ų5957.7 Ų57.732%0.31627%0.271SS..THydrogen-bonded Turntrans-120.147177.5-16632.3000112.5D371 K376 A377 Q395D371-N374 HydrophobicContact CB-CB 3.87Å; D371-N374 VanDerWaalsContact CG-CB 3.47Å; D371-N374 CarbonylContact O-C 3.57Å; D371-N374 PolarHBondContact O-N 2.86Å; D371-N374 PolarHBondContact OD1-N 3.33Å; N374-K376 PolarHBondContact O-N 3.32Å; N374-A377 HydrophobicContact CB-CB 4.2Å; N374-A377 WeakPolarHBondContact ND2-CB 3.14Å; N374-A377 WeakPolarHBondContact O-CB 3.28Å; N374-A377 PolarHBondContact O-N 2.95Å; N374-Q395 HydrophobicContact CB-CG 4.14Å; N374-Q395 PolarHBondContact ND2-NE2 2.84Å; N374-Q395 VanDerWaalsContact ND2-NE2 3.16Å; N374-Q395 PolarHBondContact OD1-NE2 3.35Å
375R90.3Very high91.8Very high228 Ų22861.7 Ų61.786%0.8631%0.314SS*.THydrogen-bonded Turntrans55.543.5169.2-55.4-178.1178.8-175-0.3115.2A377R375-A377 VanDerWaalsContact C-N 3.29Å; R375-A377 PolarHBondContact O-N 2.98Å
376K91.5Very high91.3Very high52 Ų5267.8 Ų67.823%0.22634%0.342CS..THydrogen-bonded Turntrans56.734.6-172.5-54.2-155.8-177.8-1550113.9E363 F370 D371 L372 N374 K378 C415 R416 H426E363-K376 VanDerWaalsContact OE1-CD 3.32Å; E363-K376 WeakPolarHBondContact OE1-CD 3.49Å; E363-K376 VanDerWaalsContact OE1-CE 3.22Å; E363-K376 WeakPolarHBondContact OE1-CE 3.5Å; E363-K376 IonicContact OE1-NZ 2.7Å; E363-K376 PolarHBondContact OE1-NZ 3.45Å; E363-K376 IonicContact OE2-NZ 3.67Å; F370-K376 HydrophobicContact CB-CB 4.17Å; F370-K376 WeakPolarHBondContact CD1-O 3.34Å; D371-K376 WeakPolarHBondContact O-CA 3.24Å; D371-K376 PolarHBondContact O-N 3.1Å; L372-K376 HydrophobicContact CD2-CG 4.42Å; N374-K376 PolarHBondContact O-N 3.32Å; K376-K378 PolarHBondContact O-N 3.09Å; K376-C415 WeakPolarHBondContact CE-O 3.1Å; K376-C415 VanDerWaalsContact CG-SG 3.53Å; K376-C415 PolarHBondContact NZ-O 3.13Å; K376-R416 PolarHBondContact NZ-O 2.88Å; K376-H426 PolarHBondContact NZ-CE1 3.42Å; K376-H426 PolarHBondContact NZ-NE2 3Å
377A94.8Very high90.7Very high30 Ų3071.3 Ų71.325%0.24835%0.354CS..EExtended strand (participates in β ladder)trans-58.7123.9171.900000110.8F370 D371 N374 R375 L379F370-A377 WeakPolarHBondContact CA-O 3.49Å; D371-A377 HydrophobicContact CB-CB 4.39Å; D371-A377 PolarHBondContact N-O 3.46Å; N374-A377 HydrophobicContact CB-CB 4.2Å; N374-A377 WeakPolarHBondContact ND2-CB 3.14Å; N374-A377 WeakPolarHBondContact O-CB 3.28Å; N374-A377 PolarHBondContact O-N 2.95Å; R375-A377 VanDerWaalsContact C-N 3.29Å; R375-A377 PolarHBondContact O-N 2.98Å; A377-L379 PolarHBondContact O-N 2.89Å
378K96Very high90.4Very high151 Ų15173.1 Ų73.166%0.65735%0.354SS*.EExtended strand (participates in β ladder)trans-70.1121.9-178-176.7-172.3173.8-168.90110.9V369 F370 K376V369-K378 WeakPolarHBondContact O-CA 3.2Å; F370-K378 HydrophobicContact CD1-CB 3.98Å; F370-K378 HydrophobicContact CD1-CG 4.39Å; F370-K378 HydrophobicContact CE1-CB 3.93Å; F370-K378 HydrophobicContact CE1-CG 4.04Å; K376-K378 PolarHBondContact O-N 3.09Å
379L96.4Very high90.2Very high17 Ų1769.1 Ų69.19%0.08934%0.338CS..EExtended strand (participates in β ladder)trans-99.9162.7-177.1-54.9-172.6000112.6V369 D371 A377 V391 L394V369-L379 HydrophobicContact CB-CB 4.33Å; V369-L379 HydrophobicContact CG1-CB 4.24Å; V369-L379 HydrophobicContact CG1-CD1 4.27Å; V369-L379 PolarHBondContact O-N 2.96Å; D371-L379 HydrophobicContact CB-CD1 4.03Å; D371-L379 HydrophobicContact CB-CD2 4.16Å; D371-L379 HydrophobicContact CB-CG 4.2Å; A377-L379 PolarHBondContact O-N 2.89Å; L379-V391 HydrophobicContact CB-CG1 3.99Å; L379-V391 HydrophobicContact CD1-CG1 3.57Å; L379-V391 HydrophobicContact CG-CG1 4.46Å; L379-L394 HydrophobicContact CD1-CB 3.76Å; L379-L394 HydrophobicContact CD1-CD1 3.7Å; L379-L394 HydrophobicContact CD1-CG 4.31Å
380R94.3Very high89.8Confident168 Ų16872.8 Ų72.863%0.63436%0.355SS*.EExtended strand (participates in β ladder)trans-109.4128.7172.1-64.7-173.4-66.5167-0.8110V391 V392R380-V391 CarbonylContact O-C 3.59Å; R380-V392 HydrophobicContact CB-CB 4.42Å; R380-V392 PolarHBondContact N-O 3.07Å; R380-V392 PolarHBondContact O-N 3.27Å
381V93.2Very high89.7Confident10 Ų1072.4 Ų72.46%0.06136%0.356CS..EExtended strand (participates in β ladder)trans-100.5113.2172.4-1790000108.2V369 V389 V391 K503 Q506 V507V369-V381 HydrophobicContact CB-CG2 4.29Å; V369-V381 HydrophobicContact CG2-CG2 3.58Å; V381-V389 HydrophobicContact CG1-CG1 3.43Å; V381-V389 VanDerWaalsContact CG1-CG1 3.43Å; V381-V391 HydrophobicContact CG2-CG1 4.35Å; V381-V391 HydrophobicContact CG2-CG2 4.36Å; V381-K503 HydrophobicContact CB-CD 4.02Å; V381-K503 HydrophobicContact CG1-CD 4.37Å; V381-K503 HydrophobicContact CG2-CD 4.36Å; V381-K503 PolarHBondContact O-NZ 2.84Å; V381-Q506 HydrophobicContact CG1-CB 4.23Å; V381-V507 HydrophobicContact CG1-CG2 4.29Å; V381-V507 HydrophobicContact CG2-CG2 4.2Å
382L90.5Very high89.6Confident87 Ų8775.3 Ų75.346%0.45537%0.373SS..EExtended strand (participates in β ladder)trans-117.8167179.4-57.5-176.5000110.2V389 Q390 V392L382-V389 CarbonylContact O-C 3.57Å; L382-V389 WeakPolarHBondContact O-CA 3.46Å; L382-Q390 PolarHBondContact N-O 3.06Å; L382-Q390 PolarHBondContact O-N 2.85Å; L382-V392 HydrophobicContact CD1-CG2 3.94Å; L382-V392 HydrophobicContact CG-CG2 4.19Å
383E86.1Confident89.5Confident60 Ų6077.7 Ų77.728%0.2840%0.398SS..EExtended strand (participates in β ladder)trans-123.2133.5175.4-168.3178.5151.300107.7Q388 V389 R500E383-Q388 WeakPolarHBondContact CA-O 3.38Å; E383-V389 HydrophobicContact CG-CG2 4.25Å; E383-R500 IonicContact OE1-CZ 3.35Å; E383-R500 IonicContact OE1-NE 3.95Å; E383-R500 IonicContact OE1-NH2 2.67Å; E383-R500 PolarHBondContact OE1-NH2 3.22Å; E383-R500 IonicContact OE2-CZ 3.44Å; E383-R500 IonicContact OE2-NE 2.95Å; E383-R500 PolarHBondContact OE2-NE 2.9Å; E383-R500 IonicContact OE2-NH2 3.62Å; E383-R500 PolarHBondContact OE2-NH2 2.65Å
384D84.5Confident89.6Confident60 Ų6078.3 Ų78.332%0.32140%0.401SS..  trans-90.3175.1-178.671.124.1000113.1K386 Q387 Q388 Q390D384-K386 PolarHBondContact O-N 3.35Å; D384-K386 WeakPolarHBondContact OD1-CA 3.32Å; D384-K386 WeakPolarHBondContact OD1-CB 3.44Å; D384-K386 PolarHBondContact OD1-N 2.94Å; D384-Q387 WeakPolarHBondContact O-CA 3.27Å; D384-Q387 PolarHBondContact O-N 3.41Å; D384-Q387 PolarHBondContact OD1-N 2.94Å; D384-Q388 PolarHBondContact N-O 2.87Å; D384-Q388 PolarHBondContact OD1-N 2.78Å; D384-Q390 PolarHBondContact OD2-NE2 3.24Å
385G80.9Confident89.6Confident91 Ų9178.4 Ų78.494%0.93840%0.4SS*.THydrogen-bonded Turntrans-63.8-4.3178.700000115.2
386K79.8Confident89.9Confident187 Ų18770.9 Ų70.981%0.81337%0.374SS*.THydrogen-bonded Turntrans-105.511.3171.5-60.1178-179.8177.50111.9D384 Q388D384-K386 PolarHBondContact O-N 3.35Å; D384-K386 WeakPolarHBondContact OD1-CA 3.32Å; D384-K386 WeakPolarHBondContact OD1-CB 3.44Å; D384-K386 PolarHBondContact OD1-N 2.94Å; K386-Q388 PolarHBondContact O-N 3.24Å
387Q75.9Confident90.1Very high106 Ų10671.9 Ų71.950%0.49538%0.379SS..SBendtrans62.118.7-174.8-48.5176.66.200113.9D384 R509D384-Q387 WeakPolarHBondContact O-CA 3.27Å; D384-Q387 PolarHBondContact O-N 3.41Å; D384-Q387 PolarHBondContact OD1-N 2.94Å; Q387-R509 VanDerWaalsContact CB-NH1 3.33Å; Q387-R509 PolarHBondContact O-NH1 3.42Å
388Q80.3Confident90.3Very high71 Ų7174.8 Ų74.833%0.33239%0.387SS..  trans-83.3134.8174.5-175.7164.346.600110.2E383 D384 K386 D510E383-Q388 WeakPolarHBondContact CA-O 3.38Å; D384-Q388 PolarHBondContact N-O 2.87Å; D384-Q388 PolarHBondContact OD1-N 2.78Å; K386-Q388 PolarHBondContact O-N 3.24Å; Q388-D510 PolarHBondContact NE2-OD2 3.32Å
389V87.4Confident90.3Very high12 Ų1267.9 Ų67.97%0.07336%0.358CS..EExtended strand (participates in β ladder)trans-88.6119.8-178.61780000110.4V381 L382 E383 Q506 R509V381-V389 HydrophobicContact CG1-CG1 3.43Å; V381-V389 VanDerWaalsContact CG1-CG1 3.43Å; L382-V389 CarbonylContact O-C 3.57Å; L382-V389 WeakPolarHBondContact O-CA 3.46Å; E383-V389 HydrophobicContact CG-CG2 4.25Å; V389-Q506 WeakPolarHBondContact CB-O 3.48Å; V389-Q506 HydrophobicContact CG1-CB 4.33Å; V389-Q506 WeakPolarHBondContact CG1-O 3.35Å; V389-Q506 WeakPolarHBondContact CG2-O 3.27Å; V389-R509 HydrophobicContact CG2-CB 4.21Å
390Q88Confident90.3Very high80 Ų8074.1 Ų74.137%0.37438%0.384SS..EExtended strand (participates in β ladder)trans-111.3129.7-176.4-54.4-64.8-9.800110.5L382 D384 V392L382-Q390 PolarHBondContact N-O 3.06Å; L382-Q390 PolarHBondContact O-N 2.85Å; D384-Q390 PolarHBondContact OD2-NE2 3.24Å; Q390-V392 PolarHBondContact O-N 3.25Å
391V93.1Very high90.4Very high29 Ų2968.1 Ų68.118%0.17637%0.367CS..EExtended strand (participates in β ladder)trans-95.588.5175.2-1690000108.9V369 L379 R380 V381 G393 L394 V507V369-V391 HydrophobicContact CG1-CG1 4.22Å; L379-V391 HydrophobicContact CB-CG1 3.99Å; L379-V391 HydrophobicContact CD1-CG1 3.57Å; L379-V391 HydrophobicContact CG-CG1 4.46Å; R380-V391 CarbonylContact O-C 3.59Å; V381-V391 HydrophobicContact CG2-CG1 4.35Å; V381-V391 HydrophobicContact CG2-CG2 4.36Å; V391-G393 PolarHBondContact O-N 2.86Å; V391-L394 HydrophobicContact CB-CB 4.27Å; V391-L394 HydrophobicContact CB-CD2 4.24Å; V391-L394 HydrophobicContact CG1-CB 4.14Å; V391-L394 HydrophobicContact CG1-CD2 4.42Å; V391-L394 WeakPolarHBondContact O-CB 3.42Å; V391-L394 PolarHBondContact O-N 3.37Å; V391-V507 HydrophobicContact CG2-CG2 4.14Å
392V93.7Very high90.5Very high60 Ų6068.9 Ų68.936%0.36437%0.372SS..EExtended strand (participates in β ladder)trans-68.2121.3-173-177.40000110.7R380 L382 Q390R380-V392 HydrophobicContact CB-CB 4.42Å; R380-V392 PolarHBondContact N-O 3.07Å; R380-V392 PolarHBondContact O-N 3.27Å; L382-V392 HydrophobicContact CD1-CG2 3.94Å; L382-V392 HydrophobicContact CG-CG2 4.19Å; Q390-V392 PolarHBondContact O-N 3.25Å
393G93.6Very high90.7Very high52 Ų5269.7 Ų69.754%0.53637%0.374SS..THydrogen-bonded Turntrans98-2.2179.500000115.2V391V391-G393 PolarHBondContact O-N 2.86Å
394L96Very high91.2Very high34 Ų3469 Ų6918%0.17837%0.372CS..  trans-64.1130.2176.8-176.160.6000111.2T360 F362 L379 V391 E396T360-L394 HydrophobicContact CG2-CD2 3.85Å; T360-L394 HydrophobicContact CG2-CG 3.99Å; F362-L394 HydrophobicContact CB-CD1 3.99Å; F362-L394 HydrophobicContact CD1-CD1 3.67Å; F362-L394 HydrophobicContact CD1-CD2 3.78Å; F362-L394 HydrophobicContact CD1-CG 4.41Å; F362-L394 HydrophobicContact CE1-CD1 4.5Å; F362-L394 HydrophobicContact CE1-CD2 3.79Å; F362-L394 HydrophobicContact CG-CD1 4.15Å; L379-L394 HydrophobicContact CD1-CB 3.76Å; L379-L394 HydrophobicContact CD1-CD1 3.7Å; L379-L394 HydrophobicContact CD1-CG 4.31Å; V391-L394 HydrophobicContact CB-CB 4.27Å; V391-L394 HydrophobicContact CB-CD2 4.24Å; V391-L394 HydrophobicContact CG1-CB 4.14Å; V391-L394 HydrophobicContact CG1-CD2 4.42Å; V391-L394 WeakPolarHBondContact O-CB 3.42Å; V391-L394 PolarHBondContact O-N 3.37Å; L394-E396 PolarHBondContact O-N 3.22Å
395Q95.1Very high91.8Very high61 Ų6166.2 Ų66.229%0.28536%0.357SS..  trans-85.3111.2178.1-64.7-165.36.500112.4D371 N374 K397D371-Q395 PolarHBondContact OD2-N 2.77Å; N374-Q395 HydrophobicContact CB-CG 4.14Å; N374-Q395 PolarHBondContact ND2-NE2 2.84Å; N374-Q395 VanDerWaalsContact ND2-NE2 3.16Å; N374-Q395 PolarHBondContact OD1-NE2 3.35Å; Q395-K397 VanDerWaalsContact OE1-CE 3.26Å
396E96.1Very high92.4Very high70 Ų7063.4 Ų63.433%0.32732%0.32SS..PPolyproline II helixtrans-78.2121.5163.2-71.7-178-147.500110.4Y358 T360 L394 I437 R439Y358-E396 HydrophobicContact CD1-CB 4.13Å; T360-E396 HydrophobicContact CG2-CB 4.39Å; T360-E396 HydrophobicContact CG2-CG 3.59Å; L394-E396 PolarHBondContact O-N 3.22Å; E396-I437 HydrophobicContact CG-CD1 4Å; E396-R439 IonicContact OE1-CZ 3.72Å; E396-R439 IonicContact OE1-NE 3.94Å; E396-R439 IonicContact OE1-NH2 2.83Å; E396-R439 PolarHBondContact OE1-NH2 3.33Å; E396-R439 IonicContact OE2-CZ 3.25Å; E396-R439 VanDerWaalsContact OE2-CZ 3.25Å; E396-R439 IonicContact OE2-NE 2.73Å; E396-R439 PolarHBondContact OE2-NE 2.84Å; E396-R439 IonicContact OE2-NH2 2.68Å; E396-R439 PolarHBondContact OE2-NH2 2.61Å
397K97.3Very high93.1Very high74 Ų7459.7 Ų59.732%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-103.2122.8174.6-59.6-62179.3-178.60109.8Y358 A359 L373 Q395 L408Y358-K397 CarbonylContact C-O 3.48Å; Y358-K397 VanDerWaalsContact CA-O 3.25Å; Y358-K397 WeakPolarHBondContact CA-O 3.25Å; A359-K397 PolarHBondContact N-O 3.25Å; A359-K397 PolarHBondContact O-N 2.53Å; L373-K397 HydrophobicContact CD1-CG 3.85Å; Q395-K397 VanDerWaalsContact OE1-CE 3.26Å; K397-L408 HydrophobicContact CB-CD1 3.79Å; K397-L408 HydrophobicContact CB-CD2 4.39Å; K397-L408 HydrophobicContact CG-CD1 4.3Å; K397-L408 HydrophobicContact CG-CD2 4.13Å
398E97.6Very high94Very high91 Ų9156 Ų5643%0.42529%0.288SS..EExtended strand (participates in β ladder)trans-66.2133.3171.3-166.2-177.9149.600109.7Y358 K400Y358-E398 HydrophobicContact CD1-CB 3.96Å; Y358-E398 HydrophobicContact CE1-CB 3.63Å; Y358-E398 HydrophobicContact CE1-CG 4.04Å; E398-K400 WeakPolarHBondContact OE1-CE 3.41Å; E398-K400 IonicContact OE1-NZ 2.82Å; E398-K400 PolarHBondContact OE1-NZ 2.94Å
399V97.8Very high94.6Very high5 Ų552.7 Ų52.73%0.0327%0.272CS..  trans-129137.9-178-73.30000110.3F342 V357 A359 D404 V405 L408F342-V399 HydrophobicContact CZ-CB 4.27Å; F342-V399 HydrophobicContact CZ-CG2 4.01Å; V357-V399 HydrophobicContact CB-CG2 4.02Å; V357-V399 HydrophobicContact CG1-CG2 3.72Å; V357-V399 PolarHBondContact O-N 3.21Å; A359-V399 HydrophobicContact CB-CG1 4.19Å; A359-V399 HydrophobicContact CB-CG2 4.3Å; V399-D404 HydrophobicContact CB-CB 4.08Å; V399-D404 HydrophobicContact CG1-CB 3.93Å; V399-V405 HydrophobicContact CB-CG2 3.98Å; V399-V405 HydrophobicContact CG1-CG2 4.02Å; V399-V405 HydrophobicContact CG2-CG2 3.83Å; V399-L408 HydrophobicContact CG1-CD1 3.52Å
400K96.2Very high94.8Very high148 Ų14856.9 Ų56.964%0.64329%0.291SS*.  trans-116.5-17.2-169.9-61.9-174.3-178-169.80113.5E398 D404E398-K400 WeakPolarHBondContact OE1-CE 3.41Å; E398-K400 IonicContact OE1-NZ 2.82Å; E398-K400 PolarHBondContact OE1-NZ 2.94Å; K400-D404 PolarHBondContact N-OD2 2.96Å
401C95.6Very high94.9Very high42 Ų4256.9 Ų56.928%0.28430%0.296SS..SBendtrans-147.4172171.163.20000112.1F342 E403 D404F342-C401 VanDerWaalsContact CE2-O 3.27Å; F342-C401 WeakPolarHBondContact CE2-O 3.31Å; C401-E403 WeakPolarHBondContact CB-OE2 3.49Å; C401-E403 PolarHBondContact O-N 3Å; C401-E403 PolarHBondContact SG-OE2 3.01Å; C401-D404 PolarHBondContact N-OD2 3.35Å; C401-D404 PolarHBondContact O-N 3.05Å
402T95.4Very high94.8Very high27 Ų2755.5 Ų55.517%0.16629%0.288CS..Hα-helixtrans-60.6-33.5179.5-41.50000111.4A338 R339 D404 V405 L406A338-T402 HydrophobicContact CB-CG2 4.41Å; R339-T402 HydrophobicContact CB-CG2 4.15Å; T402-D404 VanDerWaalsContact C-N 3.29Å; T402-D404 PolarHBondContact O-N 3.39Å; T402-V405 WeakPolarHBondContact O-CB 3.43Å; T402-V405 PolarHBondContact O-N 3.19Å; T402-V405 VanDerWaalsContact O-N 3.15Å; T402-L406 WeakPolarHBondContact O-CG 3.26Å; T402-L406 PolarHBondContact O-N 3.12Å
403E95.5Very high94.5Very high104 Ų10453.4 Ų53.449%0.48628%0.275SS..Hα-helixtrans-68.3-28-178.9-58.668.7-147.200111.7C401 K407C401-E403 WeakPolarHBondContact CB-OE2 3.49Å; C401-E403 PolarHBondContact O-N 3Å; C401-E403 PolarHBondContact SG-OE2 3.01Å; E403-K407 WeakPolarHBondContact O-CD 3.3Å; E403-K407 WeakPolarHBondContact O-CE 3.34Å; E403-K407 VanDerWaalsContact O-CG 3.26Å; E403-K407 WeakPolarHBondContact O-CG 3.24Å; E403-K407 PolarHBondContact O-N 3.39Å
404D96.5Very high94Very high44 Ų4455 Ų5524%0.23528%0.278CS..Hα-helixtrans-70.4-40.5171.1-63.3-27.9000111.5V399 K400 C401 T402 K407 L408V399-D404 HydrophobicContact CB-CB 4.08Å; V399-D404 HydrophobicContact CG1-CB 3.93Å; K400-D404 PolarHBondContact N-OD2 2.96Å; C401-D404 PolarHBondContact N-OD2 3.35Å; C401-D404 PolarHBondContact O-N 3.05Å; T402-D404 VanDerWaalsContact C-N 3.29Å; T402-D404 PolarHBondContact O-N 3.39Å; D404-K407 PolarHBondContact O-N 3.16Å; D404-K407 IonicContact OD1-NZ 2.78Å; D404-K407 PolarHBondContact OD1-NZ 3.11Å; D404-L408 WeakPolarHBondContact O-CG 3.45Å; D404-L408 PolarHBondContact O-N 3.29Å
405V95.8Very high93.6Very high2 Ų254.4 Ų54.41%0.01228%0.276CS..Hα-helixtrans-64.3-41.5176.1169.90000111.2A338 F342 V399 T402 K407 L408 I409 F434A338-V405 HydrophobicContact CB-CB 4.05Å; A338-V405 HydrophobicContact CB-CG1 3.66Å; A338-V405 HydrophobicContact CB-CG2 4.15Å; F342-V405 HydrophobicContact CE2-CG2 4.06Å; V399-V405 HydrophobicContact CB-CG2 3.98Å; V399-V405 HydrophobicContact CG1-CG2 4.02Å; V399-V405 HydrophobicContact CG2-CG2 3.83Å; T402-V405 WeakPolarHBondContact O-CB 3.43Å; T402-V405 PolarHBondContact O-N 3.19Å; T402-V405 VanDerWaalsContact O-N 3.15Å; V405-K407 PolarHBondContact O-N 3.28Å; V405-L408 PolarHBondContact O-N 3.13Å; V405-L408 VanDerWaalsContact O-N 3.15Å; V405-I409 HydrophobicContact CG1-CD1 3.63Å; V405-I409 HydrophobicContact CG1-CG1 4.3Å; V405-I409 WeakPolarHBondContact O-CG1 3.42Å; V405-I409 PolarHBondContact O-N 3.38Å; V405-F434 HydrophobicContact CG1-CE1 4.15Å; V405-F434 HydrophobicContact CG1-CE2 4.5Å; V405-F434 HydrophobicContact CG1-CZ 3.6Å
406L93.9Very high93.1Very high33 Ų3351.7 Ų51.717%0.17326%0.263CS..Hα-helixtrans-57.3-47.5175.5-72.8171.3000112.1C329 A335 T402 L408 I409 E410C329-L406 HydrophobicContact CB-CD2 4.09Å; A335-L406 HydrophobicContact CB-CD2 3.66Å; T402-L406 WeakPolarHBondContact O-CG 3.26Å; T402-L406 PolarHBondContact O-N 3.12Å; L406-L408 VanDerWaalsContact C-N 3.29Å; L406-L408 PolarHBondContact O-N 3.44Å; L406-I409 PolarHBondContact O-N 2.91Å; L406-I409 VanDerWaalsContact O-N 3.12Å; L406-E410 WeakPolarHBondContact O-CG 3.08Å; L406-E410 PolarHBondContact O-N 3.23Å
407K94.5Very high91.6Very high108 Ų10851.2 Ų51.247%0.4727%0.265SS..Hα-helixtrans-58.1-39.8175.7-62.1158.6-153.8156.70112.1E403 D404 V405 E410 V411E403-K407 WeakPolarHBondContact O-CD 3.3Å; E403-K407 WeakPolarHBondContact O-CE 3.34Å; E403-K407 VanDerWaalsContact O-CG 3.26Å; E403-K407 WeakPolarHBondContact O-CG 3.24Å; E403-K407 PolarHBondContact O-N 3.39Å; D404-K407 PolarHBondContact O-N 3.16Å; D404-K407 IonicContact OD1-NZ 2.78Å; D404-K407 PolarHBondContact OD1-NZ 3.11Å; V405-K407 PolarHBondContact O-N 3.28Å; K407-E410 PolarHBondContact O-N 3.44Å; K407-V411 WeakPolarHBondContact O-CB 3.5Å; K407-V411 VanDerWaalsContact O-CG2 3.27Å; K407-V411 WeakPolarHBondContact O-CG2 3.45Å; K407-V411 PolarHBondContact O-N 3.46Å
408L95.6Very high89.6Confident30 Ų3051.9 Ų51.916%0.15728%0.279CS..Hα-helixtrans-69-36177.6-65.9179000112.3A359 L373 K397 V399 D404 V405 L406 G412A359-L408 HydrophobicContact CB-CD1 3.77Å; L373-L408 HydrophobicContact CD1-CD1 4.5Å; L373-L408 HydrophobicContact CD1-CD2 4.35Å; L373-L408 HydrophobicContact CD2-CB 4.11Å; L373-L408 HydrophobicContact CD2-CD2 4.14Å; L373-L408 WeakPolarHBondContact CD2-O 3.4Å; K397-L408 HydrophobicContact CB-CD1 3.79Å; K397-L408 HydrophobicContact CB-CD2 4.39Å; K397-L408 HydrophobicContact CG-CD1 4.3Å; K397-L408 HydrophobicContact CG-CD2 4.13Å; V399-L408 HydrophobicContact CG1-CD1 3.52Å; D404-L408 WeakPolarHBondContact O-CG 3.45Å; D404-L408 PolarHBondContact O-N 3.29Å; V405-L408 PolarHBondContact O-N 3.13Å; V405-L408 VanDerWaalsContact O-N 3.15Å; L406-L408 VanDerWaalsContact C-N 3.29Å; L406-L408 PolarHBondContact O-N 3.44Å; L408-G412 PolarHBondContact O-N 3.34Å
409I92.8Very high87.4Confident1 Ų149.4 Ų49.41%0.00528%0.278CS..Hα-helixtrans-66.6-45.3174-64.9158.9000110.2C329 Y334 F361 V405 L406 G412 N413 F434C329-I409 HydrophobicContact CB-CG2 4.07Å; Y334-I409 HydrophobicContact CD2-CG1 4.49Å; Y334-I409 HydrophobicContact CD2-CG2 4.14Å; Y334-I409 HydrophobicContact CG-CD1 4.48Å; F361-I409 HydrophobicContact CE1-CG2 4.48Å; V405-I409 HydrophobicContact CG1-CD1 3.63Å; V405-I409 HydrophobicContact CG1-CG1 4.3Å; V405-I409 WeakPolarHBondContact O-CG1 3.42Å; V405-I409 PolarHBondContact O-N 3.38Å; L406-I409 PolarHBondContact O-N 2.91Å; L406-I409 VanDerWaalsContact O-N 3.12Å; I409-G412 PolarHBondContact O-N 3.44Å; I409-N413 WeakPolarHBondContact CG2-ND2 3.48Å; I409-N413 VanDerWaalsContact O-CB 3.3Å; I409-N413 WeakPolarHBondContact O-CB 3.38Å; I409-N413 VanDerWaalsContact O-CG 3.3Å; I409-N413 PolarHBondContact O-N 2.88Å; I409-F434 HydrophobicContact CG1-CD2 4.38Å; I409-F434 HydrophobicContact CG1-CE2 4.12Å; I409-F434 HydrophobicContact CG1-CZ 4.36Å
410E90.3Very high84.6Confident99 Ų9959.2 Ų59.246%0.46332%0.323SS..Hα-helixtrans-60.5-46.6176.9-73167.8-171.700112.2L406 K407 S414L406-E410 WeakPolarHBondContact O-CG 3.08Å; L406-E410 PolarHBondContact O-N 3.23Å; K407-E410 PolarHBondContact O-N 3.44Å; E410-S414 VanDerWaalsContact O-CB 3.27Å; E410-S414 WeakPolarHBondContact O-CB 3.31Å; E410-S414 PolarHBondContact O-N 2.96Å; E410-S414 PolarHBondContact O-OG 2.89Å
411V90.9Very high82.1Confident80 Ų8055.6 Ų55.649%0.48531%0.314SS..Hα-helixtrans-60.7-47.5174.6166.40000110.7K407 S414 C415K407-V411 WeakPolarHBondContact O-CB 3.5Å; K407-V411 VanDerWaalsContact O-CG2 3.27Å; K407-V411 WeakPolarHBondContact O-CG2 3.45Å; K407-V411 PolarHBondContact O-N 3.46Å; V411-S414 PolarHBondContact O-N 3.27Å; V411-C415 VanDerWaalsContact O-CB 3.29Å; V411-C415 WeakPolarHBondContact O-CB 3.24Å; V411-C415 PolarHBondContact O-N 2.86Å
412G90.8Very high79.7Confident0 Ų057.5 Ų57.50%033%0.328CS..Hα-helixtrans-68.2-38.9-177.800000113.7L408 I409 C415 R416L408-G412 PolarHBondContact O-N 3.34Å; I409-G412 PolarHBondContact O-N 3.44Å; G412-C415 PolarHBondContact O-N 3.13Å; G412-R416 WeakPolarHBondContact O-CB 3.47Å; G412-R416 PolarHBondContact O-N 3.37Å
413N86.5Confident77.2Confident17 Ų1758.3 Ų58.39%0.09134%0.337CS..Hα-helixtrans-67.1-44.1174.2-75.2-16.3000111.1Q327 I409 C415 R416 T417Q327-N413 PolarHBondContact OE1-ND2 2.69Å; I409-N413 WeakPolarHBondContact CG2-ND2 3.48Å; I409-N413 VanDerWaalsContact O-CB 3.3Å; I409-N413 WeakPolarHBondContact O-CB 3.38Å; I409-N413 VanDerWaalsContact O-CG 3.3Å; I409-N413 PolarHBondContact O-N 2.88Å; N413-C415 VanDerWaalsContact C-N 3.29Å; N413-C415 PolarHBondContact O-N 3.14Å; N413-R416 PolarHBondContact O-N 3.4Å; N413-T417 WeakPolarHBondContact O-CB 3.41Å; N413-T417 PolarHBondContact O-N 3.07Å; N413-T417 PolarHBondContact O-OG1 3.48Å; N413-T417 VanDerWaalsContact O-OG1 3.06Å
414S84.6Confident75Confident86 Ų8658.9 Ų58.960%0.60134%0.344SS*.Hα-helixtrans-59.3-41.6174.2-590000111.7E410 V411 S418E410-S414 VanDerWaalsContact O-CB 3.27Å; E410-S414 WeakPolarHBondContact O-CB 3.31Å; E410-S414 PolarHBondContact O-N 2.96Å; E410-S414 PolarHBondContact O-OG 2.89Å; V411-S414 PolarHBondContact O-N 3.27Å; S414-S418 PolarHBondContact O-N 3.4Å
415C86.6Confident73Confident21 Ų2157.8 Ų57.814%0.14234%0.341CS..Hα-helixtrans-67.5-45.2175.7-168.70000111.6L372 K376 V411 G412 N413 T417 S418L372-C415 HydrophobicContact CD2-CB 4.33Å; K376-C415 WeakPolarHBondContact CE-O 3.1Å; K376-C415 VanDerWaalsContact CG-SG 3.53Å; K376-C415 PolarHBondContact NZ-O 3.13Å; V411-C415 VanDerWaalsContact O-CB 3.29Å; V411-C415 WeakPolarHBondContact O-CB 3.24Å; V411-C415 PolarHBondContact O-N 2.86Å; G412-C415 PolarHBondContact O-N 3.13Å; N413-C415 VanDerWaalsContact C-N 3.29Å; N413-C415 PolarHBondContact O-N 3.14Å; C415-T417 VanDerWaalsContact C-N 3.29Å; C415-T417 PolarHBondContact O-N 3.15Å; C415-S418 PolarHBondContact O-N 2.9Å; C415-S418 PolarHBondContact O-OG 3.28Å; C415-S418 VanDerWaalsContact O-OG 3.11Å
416R84.1Confident71.2Confident4 Ų458.6 Ų58.62%0.01534%0.344CS..Hα-helixtrans-54-47.6176.1-171.9-179.1-177.4-163.66.9110.3L372 K376 G412 N413 S418 H426 S427 S430 A432 D452L372-R416 HydrophobicContact CD1-CB 4.25Å; L372-R416 HydrophobicContact CD2-CB 4.06Å; K376-R416 PolarHBondContact NZ-O 2.88Å; G412-R416 WeakPolarHBondContact O-CB 3.47Å; G412-R416 PolarHBondContact O-N 3.37Å; N413-R416 PolarHBondContact O-N 3.4Å; R416-S418 VanDerWaalsContact C-N 3.31Å; R416-S418 PolarHBondContact O-N 2.83Å; R416-H426 PolarHBondContact O-CD2 2.84Å; R416-H426 PolarHBondContact O-CE1 3.47Å; R416-H426 VanDerWaalsContact O-CG 3.3Å; R416-H426 PolarHBondContact O-ND1 2.94Å; R416-H426 PolarHBondContact O-NE2 2.97Å; R416-H426 VanDerWaalsContact O-NE2 3.11Å; R416-S427 PolarHBondContact NH2-O 3.14Å; R416-S430 PolarHBondContact NE-OG 2.95Å; R416-S430 PolarHBondContact NH2-O 2.99Å; R416-A432 VanDerWaalsContact CZ-CB 3.46Å; R416-D452 IonicContact CZ-OD2 3.76Å; R416-D452 IonicContact NH1-OD2 3.96Å; R416-D452 PolarHBondContact NH1-OD2 2.74Å; R416-D452 IonicContact NH2-OD2 2.65Å; R416-D452 PolarHBondContact NH2-OD2 3.48Å
417T66.3Low69.9Low59 Ų5958 Ų5836%0.36234%0.343SS..THydrogen-bonded Turntrans-73.2-8.6-175.8-57.50000115.2N413 C415 G419 A423N413-T417 WeakPolarHBondContact O-CB 3.41Å; N413-T417 PolarHBondContact O-N 3.07Å; N413-T417 PolarHBondContact O-OG1 3.48Å; N413-T417 VanDerWaalsContact O-OG1 3.06Å; C415-T417 VanDerWaalsContact C-N 3.29Å; C415-T417 PolarHBondContact O-N 3.15Å; T417-G419 PolarHBondContact O-N 3.41Å; T417-A423 HydrophobicContact CG2-CB 3.88Å
418S54.6Low68.8Low88 Ų8853.2 Ų53.262%0.61532%0.323SS*.  trans-76.940-169.4810000116.2S414 C415 R416S414-S418 PolarHBondContact O-N 3.4Å; C415-S418 PolarHBondContact O-N 2.9Å; C415-S418 PolarHBondContact O-OG 3.28Å; C415-S418 VanDerWaalsContact O-OG 3.11Å; R416-S418 VanDerWaalsContact C-N 3.31Å; R416-S418 PolarHBondContact O-N 2.83Å
419G51.7Low68.2Low39 Ų3954.6 Ų54.640%0.40233%0.326SS..SBendtrans-101173.2168.500000112.3T417 T421T417-G419 PolarHBondContact O-N 3.41Å; G419-T421 PolarHBondContact O-N 3.19Å; G419-T421 VanDerWaalsContact O-N 3.07Å
420Q38Very low68Low211 Ų21154.5 Ų54.599%0.98633%0.326SS*.SBendtrans-74.212.2-179.8-74.2-175.2-33.200114.8
421T43.4Very low68.1Low72 Ų7250 Ų5044%0.44231%0.305SS..SBendtrans-119.1159.8-174.655.10000112.1G419G419-T421 PolarHBondContact O-N 3.19Å; G419-T421 VanDerWaalsContact O-N 3.07Å
422S45.5Very low68.3Low82 Ų8246.2 Ų46.257%0.57328%0.282SS*.  trans-59.9152.1179.175.60000112N424 A425S422-N424 PolarHBondContact O-N 3.02Å; S422-A425 WeakPolarHBondContact O-CA 3.31Å; S422-A425 WeakPolarHBondContact O-CB 3.18Å; S422-A425 PolarHBondContact O-N 3.34Å
423A42.4Very low68.5Low45 Ų4546.2 Ų46.237%0.37228%0.282SS..Hα-helixtrans-53.3-35.2-173.300000114.5T417 A425 H426 S427T417-A423 HydrophobicContact CG2-CB 3.88Å; A423-A425 PolarHBondContact O-N 3.24Å; A423-H426 PolarHBondContact O-N 3.38Å; A423-S427 PolarHBondContact O-N 2.9Å; A423-S427 PolarHBondContact O-OG 2.75Å
424N49.8Very low69Low116 Ų11645.4 Ų45.462%0.6228%0.278SS*.Hα-helixtrans-69.1-15.5177.6-63.4-18.9000113.9S422 S428S422-N424 PolarHBondContact O-N 3.02Å; N424-S428 WeakPolarHBondContact O-CB 3.35Å; N424-S428 PolarHBondContact O-OG 3.4Å
425A55.9Low69.6Low21 Ų2142 Ų4217%0.17425%0.252CS..Hα-helixtrans-95.2-12.3-178.200000114.1S422 A423 S428 R429S422-A425 WeakPolarHBondContact O-CA 3.31Å; S422-A425 WeakPolarHBondContact O-CB 3.18Å; S422-A425 PolarHBondContact O-N 3.34Å; A423-A425 PolarHBondContact O-N 3.24Å; A425-S428 VanDerWaalsContact C-OG 3.23Å; A425-S428 VanDerWaalsContact CA-OG 3.29Å; A425-S428 WeakPolarHBondContact CA-OG 3.49Å; A425-S428 PolarHBondContact O-OG 2.95Å; A425-R429 VanDerWaalsContact O-CD 3.29Å; A425-R429 WeakPolarHBondContact O-CD 3.44Å; A425-R429 VanDerWaalsContact O-CG 3.3Å; A425-R429 WeakPolarHBondContact O-CG 2.91Å; A425-R429 PolarHBondContact O-NE 3.23Å
426H57.6Low70.2Confident18 Ų1841.1 Ų41.18%0.08325%0.246CC..Hα-helixtrans-101.7-37.3173.8-160.6-41.5000112.3E363 K376 R416 A423 S428 R429 S430E363-H426 IonicContact OE1-CE1 3.38Å; E363-H426 IonicContact OE2-CE1 3.76Å; E363-H426 PolarHBondContact OE2-CE1 3.08Å; E363-H426 VanDerWaalsContact OE2-CE1 3.31Å; E363-H426 IonicContact OE2-ND1 2.65Å; K376-H426 PolarHBondContact NZ-CE1 3.42Å; K376-H426 PolarHBondContact NZ-NE2 3Å; R416-H426 PolarHBondContact O-CD2 2.84Å; R416-H426 PolarHBondContact O-CE1 3.47Å; R416-H426 VanDerWaalsContact O-CG 3.3Å; R416-H426 PolarHBondContact O-ND1 2.94Å; R416-H426 PolarHBondContact O-NE2 2.97Å; R416-H426 VanDerWaalsContact O-NE2 3.11Å; A423-H426 PolarHBondContact O-N 3.38Å; H426-S428 PolarHBondContact O-N 3.2Å; H426-R429 PolarHBondContact O-N 3.35Å; H426-R429 VanDerWaalsContact O-N 3.07Å; H426-S430 PolarHBondContact ND1-OG 3.39Å; H426-S430 PolarHBondContact O-N 3.29Å
427S65.9Low70.8Confident20 Ų2041 Ų4114%0.1425%0.246CC..THydrogen-bonded Turntrans-67.2-25.717661.30000113.1R416 A423 R429R416-S427 PolarHBondContact NH2-O 3.14Å; A423-S427 PolarHBondContact O-N 2.9Å; A423-S427 PolarHBondContact O-OG 2.75Å; S427-R429 VanDerWaalsContact C-N 3.27Å; S427-R429 PolarHBondContact O-N 3.31Å
428S72.6Confident72.3Confident9 Ų938.2 Ų38.26%0.06323%0.229CC..THydrogen-bonded Turntrans-69.8-18.9171.339.20000114T310 N424 A425 H426 A454 G455T310-S428 WeakPolarHBondContact OG1-CB 3.48Å; N424-S428 WeakPolarHBondContact O-CB 3.35Å; N424-S428 PolarHBondContact O-OG 3.4Å; A425-S428 VanDerWaalsContact C-OG 3.23Å; A425-S428 VanDerWaalsContact CA-OG 3.29Å; A425-S428 WeakPolarHBondContact CA-OG 3.49Å; A425-S428 PolarHBondContact O-OG 2.95Å; H426-S428 PolarHBondContact O-N 3.2Å; S428-A454 WeakPolarHBondContact O-CA 3.42Å; S428-A454 WeakPolarHBondContact O-CB 3.42Å; S428-G455 PolarHBondContact O-N 3.12Å
429R82.1Confident74.3Confident58 Ų5836.5 Ų36.522%0.21921%0.209CC..THydrogen-bonded Turntrans-121.2-9.7-165.8-56.4-170.4-165.5-178.9-4.4116.3A425 H426 S427 T469 E472 I476A425-R429 VanDerWaalsContact O-CD 3.29Å; A425-R429 WeakPolarHBondContact O-CD 3.44Å; A425-R429 VanDerWaalsContact O-CG 3.3Å; A425-R429 WeakPolarHBondContact O-CG 2.91Å; A425-R429 PolarHBondContact O-NE 3.23Å; H426-R429 PolarHBondContact O-N 3.35Å; H426-R429 VanDerWaalsContact O-N 3.07Å; S427-R429 VanDerWaalsContact C-N 3.27Å; S427-R429 PolarHBondContact O-N 3.31Å; R429-T469 VanDerWaalsContact CZ-OG1 3.32Å; R429-T469 PolarHBondContact NH1-OG1 3.15Å; R429-T469 VanDerWaalsContact NH2-CG2 3.26Å; R429-T469 PolarHBondContact NH2-OG1 2.97Å; R429-E472 WeakPolarHBondContact CD-OE2 3.5Å; R429-E472 IonicContact CZ-OE2 3.13Å; R429-E472 IonicContact NE-OE2 2.73Å; R429-E472 IonicContact NH1-OE2 3.2Å; R429-E472 PolarHBondContact NH1-OE2 2.79Å; R429-I476 HydrophobicContact CB-CD1 4Å; R429-I476 HydrophobicContact CG-CD1 4.28Å
430S88.8Confident76.4Confident0 Ų039.2 Ų39.20%021%0.207CC..SBendtrans-121.7137.1169.768.80000111.2E363 R416 H426 A432E363-S430 WeakPolarHBondContact OE2-CB 3.33Å; E363-S430 PolarHBondContact OE2-OG 2.82Å; R416-S430 PolarHBondContact NE-OG 2.95Å; R416-S430 PolarHBondContact NH2-O 2.99Å; H426-S430 PolarHBondContact ND1-OG 3.39Å; H426-S430 PolarHBondContact O-N 3.29Å; S430-A432 PolarHBondContact O-N 2.82Å
431H93.2Very high79Confident5 Ų537.3 Ų37.32%0.02320%0.195CC..EExtended strand (participates in β ladder)trans-78.5117.6170.9-53.1-80.9000108.3E363 I364 D452 L453 A454 S479 L504E363-H431 CarbonylContact C-O 3.57Å; E363-H431 VanDerWaalsContact CA-O 3.26Å; E363-H431 WeakPolarHBondContact CA-O 3.44Å; I364-H431 HydrophobicContact CB-CB 4.32Å; I364-H431 PolarHBondContact N-O 2.98Å; I364-H431 PolarHBondContact O-N 3.37Å; H431-D452 WeakPolarHBondContact CA-O 3.38Å; H431-L453 HydrophobicContact CB-CD2 4.35Å; H431-L453 WeakPolarHBondContact ND1-CA 3.47Å; H431-L453 VanDerWaalsContact ND1-CD2 3.35Å; H431-L453 WeakPolarHBondContact ND1-CD2 3.2Å; H431-A454 PolarHBondContact ND1-N 3.12Å; H431-S479 PolarHBondContact NE2-OG 3.49Å; H431-L504 HydrophobicContact CB-CD1 4.42Å
432A94.2Very high81.2Confident0 Ų035.9 Ų35.90%020%0.195CC..EExtended strand (participates in β ladder)trans-96132.4176.700000110.5F361 R416 S430 I451 D452F361-A432 HydrophobicContact CE2-CB 3.99Å; R416-A432 VanDerWaalsContact CZ-CB 3.46Å; S430-A432 PolarHBondContact O-N 2.82Å; A432-I451 WeakPolarHBondContact O-CA 3.12Å; A432-D452 HydrophobicContact CB-CB 4.44Å; A432-D452 PolarHBondContact N-O 2.56Å; A432-D452 PolarHBondContact O-N 2.81Å
433V95.8Very high83.5Confident0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-123.2106.3-178.8-1760000108.2F362 Q435 I451F362-V433 HydrophobicContact CD1-CB 4.39Å; F362-V433 HydrophobicContact CD2-CB 4.08Å; F362-V433 HydrophobicContact CD2-CG2 4.43Å; F362-V433 HydrophobicContact CE1-CB 3.99Å; F362-V433 HydrophobicContact CE1-CG1 3.84Å; F362-V433 HydrophobicContact CE2-CB 3.66Å; F362-V433 HydrophobicContact CE2-CG1 4.09Å; F362-V433 HydrophobicContact CE2-CG2 3.85Å; F362-V433 HydrophobicContact CG-CB 4.45Å; F362-V433 HydrophobicContact CZ-CB 3.62Å; F362-V433 HydrophobicContact CZ-CG1 3.53Å; F362-V433 HydrophobicContact CZ-CG2 4.16Å; F362-V433 PolarHBondContact N-O 2.87Å; F362-V433 PolarHBondContact O-N 3.01Å; V433-Q435 HydrophobicContact CG1-CG 3.9Å; V433-I451 HydrophobicContact CG1-CG1 4.23Å; V433-I451 HydrophobicContact CG2-CG1 4.33Å; V433-I451 HydrophobicContact CG2-CG2 4.28Å
434F96.9Very high85.8Confident0 Ų041.4 Ų41.40%020%0.202CC..EExtended strand (participates in β ladder)trans-95135.1168.9-179.4-105.3000108.6Y334 A359 T360 F361 V405 I409 I436 L450Y334-F434 HydrophobicContact CD1-CB 3.97Å; Y334-F434 AromaticContact CD1-CD1 3.97Å; Y334-F434 HydrophobicContact CD1-CD1 3.97Å; Y334-F434 HydrophobicContact CD1-CG 4.27Å; Y334-F434 HydrophobicContact CE1-CB 3.79Å; Y334-F434 HydrophobicContact CG-CB 4.46Å; Y334-F434 HydrophobicContact CG-CD1 4.21Å; Y334-F434 HydrophobicContact CG-CG 4.45Å; A359-F434 HydrophobicContact CB-CE2 4.08Å; A359-F434 HydrophobicContact CB-CZ 4.04Å; T360-F434 WeakPolarHBondContact O-CA 3.42Å; T360-F434 VanDerWaalsContact O-CD2 3.24Å; T360-F434 WeakPolarHBondContact O-CD2 3.46Å; F361-F434 HydrophobicContact CB-CD2 4.01Å; F361-F434 HydrophobicContact CD1-CD2 4.11Å; F361-F434 HydrophobicContact CD2-CB 3.82Å; F361-F434 HydrophobicContact CD2-CD2 4.17Å; F361-F434 HydrophobicContact CE2-CB 3.89Å; F361-F434 HydrophobicContact CG-CB 4.38Å; F361-F434 AromaticContact CG-CD2 3.85Å; F361-F434 HydrophobicContact CG-CD2 3.85Å; V405-F434 HydrophobicContact CG1-CE1 4.15Å; V405-F434 HydrophobicContact CG1-CE2 4.5Å; V405-F434 HydrophobicContact CG1-CZ 3.6Å; I409-F434 HydrophobicContact CG1-CD2 4.38Å; I409-F434 HydrophobicContact CG1-CE2 4.12Å; I409-F434 HydrophobicContact CG1-CZ 4.36Å; F434-I436 HydrophobicContact CD1-CG1 4.43Å; F434-I436 HydrophobicContact CE1-CD1 4.14Å; F434-I436 HydrophobicContact CE1-CG1 3.65Å; F434-I436 HydrophobicContact CZ-CG1 4.29Å; F434-L450 HydrophobicContact CD1-CD1 4.3Å; F434-L450 PolarHBondContact N-O 3.45Å; F434-L450 PolarHBondContact O-N 3.26Å; F434-L450 VanDerWaalsContact O-O 3.09Å
435Q97.1Very high87.9Confident13 Ų1336.6 Ų36.66%0.06118%0.176CC..EExtended strand (participates in β ladder)trans-127.1139.2178.6-47-176.8-60.100111.8A359 T360 F362 V433 I437 F448 S449A359-Q435 VanDerWaalsContact CA-O 3.26Å; A359-Q435 WeakPolarHBondContact CA-O 3.24Å; T360-Q435 PolarHBondContact N-O 3.13Å; T360-Q435 PolarHBondContact O-N 3.04Å; T360-Q435 VanDerWaalsContact OG1-CB 3.32Å; T360-Q435 WeakPolarHBondContact OG1-CB 3.32Å; T360-Q435 WeakPolarHBondContact OG1-CG 3.45Å; T360-Q435 PolarHBondContact OG1-OE1 2.99Å; T360-Q435 VanDerWaalsContact OG1-OE1 3.09Å; F362-Q435 HydrophobicContact CE1-CG 4.29Å; V433-Q435 HydrophobicContact CG1-CG 3.9Å; Q435-I437 HydrophobicContact CB-CG1 4.38Å; Q435-F448 CarbonylContact C-O 3.49Å; Q435-F448 VanDerWaalsContact CA-O 3.25Å; Q435-F448 WeakPolarHBondContact CA-O 3.32Å; Q435-S449 PolarHBondContact NE2-OG 3.2Å; Q435-S449 VanDerWaalsContact NE2-OG 3.09Å
436I98Very high89.8Confident3 Ų335.7 Ų35.72%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-107.4119.6167-55.8173.4000107.1A337 A338 V341 V357 F434 F448A337-I436 HydrophobicContact CB-CD1 4.33Å; A338-I436 HydrophobicContact CB-CD1 4.15Å; V341-I436 HydrophobicContact CG1-CG2 4.31Å; V341-I436 HydrophobicContact CG2-CD1 4.43Å; V341-I436 HydrophobicContact CG2-CG2 4.42Å; V357-I436 HydrophobicContact CG1-CG2 3.83Å; F434-I436 HydrophobicContact CD1-CG1 4.43Å; F434-I436 HydrophobicContact CE1-CD1 4.14Å; F434-I436 HydrophobicContact CE1-CG1 3.65Å; F434-I436 HydrophobicContact CZ-CG1 4.29Å; I436-F448 HydrophobicContact CB-CB 4.43Å; I436-F448 PolarHBondContact N-O 2.91Å; I436-F448 PolarHBondContact O-N 3.34Å
437I97.2Very high91.6Very high3 Ų335.8 Ų35.82%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-115.8123.5-176.5-54.6171000108.2Y358 T360 E396 Q435 R439 M444 K447Y358-I437 PolarHBondContact N-O 3.42Å; Y358-I437 PolarHBondContact O-N 2.67Å; T360-I437 HydrophobicContact CG2-CD1 3.94Å; E396-I437 HydrophobicContact CG-CD1 4Å; Q435-I437 HydrophobicContact CB-CG1 4.38Å; I437-R439 HydrophobicContact CG2-CG 4.1Å; I437-M444 HydrophobicContact CG2-CE 4.17Å; I437-M444 HydrophobicContact CG2-CG 4.28Å; I437-K447 HydrophobicContact CG1-CD 4.47Å; I437-K447 HydrophobicContact CG1-CG 4.17Å
438L97.6Very high93Very high0 Ų034.9 Ų34.90%016%0.162CC..EExtended strand (participates in β ladder)trans-93126170.2-59-179.5000108.5I296 F297 V341 L345 L355 V357 H445 G446I296-L438 HydrophobicContact CB-CD1 4.26Å; I296-L438 HydrophobicContact CD1-CD1 3.71Å; I296-L438 HydrophobicContact CD1-CG 3.98Å; I296-L438 HydrophobicContact CG1-CD1 3.83Å; F297-L438 HydrophobicContact CD1-CD1 3.96Å; F297-L438 HydrophobicContact CD2-CD1 4.14Å; F297-L438 HydrophobicContact CE1-CD1 3.9Å; F297-L438 HydrophobicContact CE2-CD1 4.07Å; F297-L438 HydrophobicContact CG-CD1 4.08Å; F297-L438 HydrophobicContact CZ-CD1 3.95Å; V341-L438 HydrophobicContact CG1-CD2 4.24Å; L345-L438 HydrophobicContact CD1-CD2 4.34Å; L355-L438 HydrophobicContact CD1-CB 4.5Å; L355-L438 HydrophobicContact CD1-CD1 4.14Å; V357-L438 HydrophobicContact CB-CD2 4.45Å; V357-L438 HydrophobicContact CG1-CD2 4.27Å; V357-L438 HydrophobicContact CG2-CD2 3.88Å; L438-H445 HydrophobicContact CB-CB 4.35Å; L438-H445 WeakPolarHBondContact O-CA 3.31Å; L438-H445 WeakPolarHBondContact O-CB 3.42Å; L438-H445 PolarHBondContact O-N 3.19Å; L438-G446 PolarHBondContact N-O 3.39Å; L438-G446 PolarHBondContact O-N 2.97Å
439R97.1Very high94.2Very high51 Ų5134.5 Ų34.519%0.19216%0.159CC..EExtended strand (participates in β ladder)trans-117.5145.3173.6-67.4-174.1174.8-90.1-2111.1L355 Q356 Y358 E396 I437 G442 K443L355-R439 WeakPolarHBondContact CA-O 3.34Å; Q356-R439 PolarHBondContact N-O 3.28Å; Q356-R439 PolarHBondContact O-N 2.69Å; Y358-R439 HydrophobicContact CD2-CB 4.13Å; Y358-R439 HydrophobicContact CD2-CG 3.91Å; Y358-R439 HydrophobicContact CE2-CB 3.93Å; Y358-R439 HydrophobicContact CE2-CG 4.07Å; E396-R439 IonicContact OE1-CZ 3.72Å; E396-R439 IonicContact OE1-NE 3.94Å; E396-R439 IonicContact OE1-NH2 2.83Å; E396-R439 PolarHBondContact OE1-NH2 3.33Å; E396-R439 IonicContact OE2-CZ 3.25Å; E396-R439 VanDerWaalsContact OE2-CZ 3.25Å; E396-R439 IonicContact OE2-NE 2.73Å; E396-R439 PolarHBondContact OE2-NE 2.84Å; E396-R439 IonicContact OE2-NH2 2.68Å; E396-R439 PolarHBondContact OE2-NH2 2.61Å; I437-R439 HydrophobicContact CG2-CG 4.1Å; R439-G442 PolarHBondContact NH1-O 3.39Å; R439-K443 CarbonylContact C-O 3.56Å; R439-K443 WeakPolarHBondContact CA-O 3.4Å; R439-K443 WeakPolarHBondContact CB-O 3.46Å
440R95.8Very high94.9Very high96 Ų9631.7 Ų31.736%0.36215%0.149SC..EExtended strand (participates in β ladder)trans-122.7109.8175.1-166.9-179.4-167-153.23.3109.2L353 L355 G442 K443 H445L353-R440 WeakPolarHBondContact O-CD 3.37Å; L353-R440 WeakPolarHBondContact O-CG 2.99Å; L353-R440 PolarHBondContact O-NE 2.64Å; L353-R440 PolarHBondContact O-NH2 3.11Å; L355-R440 HydrophobicContact CD2-CB 3.72Å; L355-R440 HydrophobicContact CD2-CG 4.04Å; R440-G442 VanDerWaalsContact C-N 3.31Å; R440-G442 PolarHBondContact O-N 2.93Å; R440-K443 PolarHBondContact N-O 2.97Å; R440-K443 PolarHBondContact O-N 3.28Å; R440-K443 VanDerWaalsContact O-N 3.14Å; R440-H445 HydrophobicContact CB-CB 4.31Å
441K92.3Very high95.2Very high172 Ų17231.7 Ų31.775%0.74815%0.149SC*.THydrogen-bonded Turntrans49.552.2-174.3-54.9-171177.3-168.30111.5K443K441-K443 PolarHBondContact O-N 3.4Å
442G89.9Confident95.3Very high42 Ų4231.5 Ų31.543%0.43315%0.148SC..THydrogen-bonded Turntrans74.8-27.1-176.800000116.5R439 R440R439-G442 PolarHBondContact NH1-O 3.39Å; R440-G442 VanDerWaalsContact C-N 3.31Å; R440-G442 PolarHBondContact O-N 2.93Å
443K92.8Very high95.3Very high165 Ų16531.5 Ų31.572%0.71715%0.148SC*.EExtended strand (participates in β ladder)trans-72.4142178.1-63.6-171.9177.6-1740111R439 R440 K441 H445R439-K443 CarbonylContact C-O 3.56Å; R439-K443 WeakPolarHBondContact CA-O 3.4Å; R439-K443 WeakPolarHBondContact CB-O 3.46Å; R440-K443 PolarHBondContact N-O 2.97Å; R440-K443 PolarHBondContact O-N 3.28Å; R440-K443 VanDerWaalsContact O-N 3.14Å; K441-K443 PolarHBondContact O-N 3.4Å; K443-H445 PolarHBondContact O-N 2.71Å
444M91.5Very high95.1Very high77 Ų7731.5 Ų31.538%0.37915%0.148SC..EExtended strand (participates in β ladder)trans-63.1130.5173.8-168.8172.9-68.300109.5I437 K447I437-M444 HydrophobicContact CG2-CE 4.17Å; I437-M444 HydrophobicContact CG2-CG 4.28Å; M444-K447 HydrophobicContact SD-CB 4.35Å
445H94.6Very high94.6Very high16 Ų1631.6 Ų31.67%0.07415%0.149CC..EExtended strand (participates in β ladder)trans-103.8-48.1176.1-178.1102.5000110I296 F297 R299 L355 L438 R440 K443I296-H445 PolarHBondContact O-CD2 3.2Å; F297-H445 PolarHBondContact O-NE2 3.08Å; R299-H445 WeakPolarHBondContact CA-O 3.31Å; R299-H445 WeakPolarHBondContact CB-O 3.38Å; L355-H445 HydrophobicContact CD2-CB 4.04Å; L438-H445 HydrophobicContact CB-CB 4.35Å; L438-H445 WeakPolarHBondContact O-CA 3.31Å; L438-H445 WeakPolarHBondContact O-CB 3.42Å; L438-H445 PolarHBondContact O-N 3.19Å; R440-H445 HydrophobicContact CB-CB 4.31Å; K443-H445 PolarHBondContact O-N 2.71Å
446G94.4Very high94.1Very high1 Ų131.8 Ų31.81%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-161.4163174.200000111.9G300 L438G300-G446 WeakPolarHBondContact O-CA 3.1Å; L438-G446 PolarHBondContact N-O 3.39Å; L438-G446 PolarHBondContact O-N 2.97Å
447K95.1Very high93Very high21 Ų2133.6 Ų33.69%0.09116%0.159CC..EExtended strand (participates in β ladder)trans-141.4125.1-175.3179.9172.874.1-164.90111.1M301 A302 I437 M444 D510M301-K447 HydrophobicContact CE-CB 4.22Å; M301-K447 HydrophobicContact CE-CD 4.45Å; M301-K447 VanDerWaalsContact CE-CE 3.44Å; M301-K447 HydrophobicContact SD-CB 3.8Å; A302-K447 PolarHBondContact N-O 3.04Å; I437-K447 HydrophobicContact CG1-CD 4.47Å; I437-K447 HydrophobicContact CG1-CG 4.17Å; M444-K447 HydrophobicContact SD-CB 4.35Å; K447-D510 IonicContact NZ-OD2 2.67Å
448F96.9Very high91.7Very high0 Ų039.2 Ų39.20%018%0.18CC..EExtended strand (participates in β ladder)trans-105.7116.9170.8-157.7166.9000109A289 L292 V293 I296 A302 C304 A337 Q435 I436 L450A289-F448 HydrophobicContact CB-CZ 3.91Å; A289-F448 WeakPolarHBondContact O-CE1 3.47Å; A289-F448 WeakPolarHBondContact O-CZ 2.95Å; L292-F448 HydrophobicContact CB-CE1 4.1Å; L292-F448 HydrophobicContact CB-CE2 4.01Å; L292-F448 HydrophobicContact CB-CZ 3.56Å; L292-F448 HydrophobicContact CD1-CE2 3.96Å; L292-F448 HydrophobicContact CD1-CZ 4.04Å; L292-F448 HydrophobicContact CG-CZ 4.42Å; V293-F448 HydrophobicContact CG2-CD1 4.44Å; V293-F448 HydrophobicContact CG2-CE1 3.88Å; I296-F448 HydrophobicContact CD1-CB 4.19Å; I296-F448 HydrophobicContact CG2-CB 4.02Å; A302-F448 HydrophobicContact CB-CB 4.12Å; A302-F448 HydrophobicContact CB-CD1 4.33Å; A302-F448 HydrophobicContact CB-CD2 3.42Å; A302-F448 VanDerWaalsContact CB-CD2 3.42Å; A302-F448 HydrophobicContact CB-CE2 3.8Å; A302-F448 HydrophobicContact CB-CG 3.71Å; A302-F448 HydrophobicContact CB-CZ 4.41Å; A302-F448 CarbonylContact O-C 3.57Å; A302-F448 WeakPolarHBondContact O-CA 3.4Å; C304-F448 HydrophobicContact CB-CE2 3.94Å; C304-F448 HydrophobicContact CB-CZ 4.36Å; A337-F448 HydrophobicContact CB-CE1 4.3Å; Q435-F448 CarbonylContact C-O 3.49Å; Q435-F448 VanDerWaalsContact CA-O 3.25Å; Q435-F448 WeakPolarHBondContact CA-O 3.32Å; I436-F448 HydrophobicContact CB-CB 4.43Å; I436-F448 PolarHBondContact N-O 2.91Å; I436-F448 PolarHBondContact O-N 3.34Å; F448-L450 HydrophobicContact CD1-CD2 4.45Å; F448-L450 HydrophobicContact CD2-CD2 3.71Å; F448-L450 HydrophobicContact CD2-CG 4.17Å; F448-L450 HydrophobicContact CE1-CD2 4.13Å; F448-L450 HydrophobicContact CE2-CD2 3.34Å; F448-L450 HydrophobicContact CE2-CG 4.28Å; F448-L450 HydrophobicContact CG-CD2 4.28Å; F448-L450 HydrophobicContact CG-CG 4.44Å; F448-L450 HydrophobicContact CZ-CD2 3.57Å
449S96.5Very high90.2Very high1 Ų141.4 Ų41.41%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-97.3121.5169.9-510000110.2A302 T303 C304 Q435A302-S449 PolarHBondContact O-N 3.48Å; T303-S449 CarbonylContact C-O 3.57Å; T303-S449 VanDerWaalsContact CA-O 3.28Å; T303-S449 WeakPolarHBondContact CA-O 3.37Å; C304-S449 PolarHBondContact N-O 3.48Å; Q435-S449 PolarHBondContact NE2-OG 3.2Å; Q435-S449 VanDerWaalsContact NE2-OG 3.09Å
450L97.1Very high88.7Confident0 Ų042.1 Ų42.10%022%0.219CC..EExtended strand (participates in β ladder)trans-111.1121.1176.4-61.4176.4000108.2C304 M318 I333 Y334 A337 F434 F448C304-L450 HydrophobicContact CB-CD2 3.76Å; C304-L450 WeakPolarHBondContact O-CA 3.36Å; M318-L450 HydrophobicContact CE-CB 3.89Å; M318-L450 HydrophobicContact CE-CD2 4.46Å; I333-L450 HydrophobicContact CG2-CD1 4.47Å; I333-L450 HydrophobicContact CG2-CD2 4.13Å; Y334-L450 HydrophobicContact CD1-CB 3.56Å; Y334-L450 HydrophobicContact CD1-CD1 3.97Å; Y334-L450 HydrophobicContact CD1-CG 4.41Å; Y334-L450 HydrophobicContact CE1-CB 3.6Å; A337-L450 HydrophobicContact CB-CD1 3.72Å; F434-L450 HydrophobicContact CD1-CD1 4.3Å; F434-L450 PolarHBondContact N-O 3.45Å; F434-L450 PolarHBondContact O-N 3.26Å; F434-L450 VanDerWaalsContact O-O 3.09Å; F448-L450 HydrophobicContact CD1-CD2 4.45Å; F448-L450 HydrophobicContact CD2-CD2 3.71Å; F448-L450 HydrophobicContact CD2-CG 4.17Å; F448-L450 HydrophobicContact CE1-CD2 4.13Å; F448-L450 HydrophobicContact CE2-CD2 3.34Å; F448-L450 HydrophobicContact CE2-CG 4.28Å; F448-L450 HydrophobicContact CG-CD2 4.28Å; F448-L450 HydrophobicContact CG-CG 4.44Å; F448-L450 HydrophobicContact CZ-CD2 3.57Å
451I95.9Very high87.3Confident0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-127.5125.8-162.5-53.1157.7000111.2T303 C304 F305 A306 A432 V433 L453 L508T303-I451 HydrophobicContact CG2-CD1 3.65Å; C304-I451 PolarHBondContact O-N 3.05Å; F305-I451 WeakPolarHBondContact CA-O 3.19Å; F305-I451 HydrophobicContact CB-CB 3.82Å; F305-I451 HydrophobicContact CB-CD1 4.14Å; F305-I451 HydrophobicContact CB-CG2 4.3Å; A306-I451 PolarHBondContact N-O 2.76Å; A432-I451 WeakPolarHBondContact O-CA 3.12Å; V433-I451 HydrophobicContact CG1-CG1 4.23Å; V433-I451 HydrophobicContact CG2-CG1 4.33Å; V433-I451 HydrophobicContact CG2-CG2 4.28Å; I451-L453 HydrophobicContact CG2-CD2 3.54Å; I451-L453 HydrophobicContact CG2-CG 3.99Å; I451-L508 HydrophobicContact CD1-CD1 4.05Å; I451-L508 HydrophobicContact CD1-CD2 3.42Å; I451-L508 VanDerWaalsContact CD1-CD2 3.42Å; I451-L508 HydrophobicContact CD1-CG 4.38Å
452D95.1Very high86.1Confident0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-10497.1168.1-179.149.2000107.9K314 T315 M318 Y334 R416 H431 A432K314-D452 WeakPolarHBondContact CB-OD1 3.46Å; T315-D452 VanDerWaalsContact CA-OD1 3.29Å; T315-D452 WeakPolarHBondContact CA-OD1 3.47Å; T315-D452 WeakPolarHBondContact CB-OD2 3.4Å; T315-D452 WeakPolarHBondContact CG2-OD2 3.41Å; T315-D452 PolarHBondContact N-OD1 3Å; T315-D452 PolarHBondContact OG1-OD1 3.48Å; T315-D452 PolarHBondContact OG1-OD2 2.97Å; M318-D452 HydrophobicContact CB-CB 4.12Å; M318-D452 HydrophobicContact CG-CB 4.1Å; Y334-D452 WeakPolarHBondContact OH-CB 3.43Å; R416-D452 IonicContact CZ-OD2 3.76Å; R416-D452 IonicContact NH1-OD2 3.96Å; R416-D452 PolarHBondContact NH1-OD2 2.74Å; R416-D452 IonicContact NH2-OD2 2.65Å; R416-D452 PolarHBondContact NH2-OD2 3.48Å; H431-D452 WeakPolarHBondContact CA-O 3.38Å; A432-D452 HydrophobicContact CB-CB 4.44Å; A432-D452 PolarHBondContact N-O 2.56Å; A432-D452 PolarHBondContact O-N 2.81Å
453L93.5Very high84.9Confident1 Ų136.8 Ų36.81%0.00520%0.203CC..PPolyproline II helixtrans-69.3161.4-179.2-62.3174.8000111.2F305 A306 Y307 K314 H431 I451 L480 L483 L504F305-L453 HydrophobicContact CB-CD1 4.39Å; F305-L453 HydrophobicContact CB-CG 4.5Å; F305-L453 HydrophobicContact CD2-CD1 3.75Å; F305-L453 HydrophobicContact CE2-CD1 4.47Å; F305-L453 HydrophobicContact CG-CD1 4.43Å; A306-L453 VanDerWaalsContact O-CB 3.3Å; A306-L453 WeakPolarHBondContact O-CB 3.48Å; A306-L453 WeakPolarHBondContact O-CG 3.22Å; A306-L453 PolarHBondContact O-N 3.06Å; Y307-L453 HydrophobicContact CD2-CD1 3.92Å; K314-L453 WeakPolarHBondContact CE-O 3.48Å; H431-L453 HydrophobicContact CB-CD2 4.35Å; H431-L453 WeakPolarHBondContact ND1-CA 3.47Å; H431-L453 VanDerWaalsContact ND1-CD2 3.35Å; H431-L453 WeakPolarHBondContact ND1-CD2 3.2Å; I451-L453 HydrophobicContact CG2-CD2 3.54Å; I451-L453 HydrophobicContact CG2-CG 3.99Å; L453-L480 HydrophobicContact CD1-CD2 4.19Å; L453-L483 HydrophobicContact CD1-CD2 4.27Å; L453-L504 HydrophobicContact CD2-CD1 3.97Å; L453-L504 HydrophobicContact CD2-CD2 3.8Å
454A91.1Very high83.8Confident0 Ų034.6 Ų34.60%021%0.209CC..PPolyproline II helixtrans-65173.1167.400000112.3K314 S428 H431 I476K314-A454 VanDerWaalsContact CE-O 3.27Å; K314-A454 WeakPolarHBondContact CE-O 3.3Å; S428-A454 WeakPolarHBondContact O-CA 3.42Å; S428-A454 WeakPolarHBondContact O-CB 3.42Å; H431-A454 PolarHBondContact ND1-N 3.12Å; A454-I476 HydrophobicContact CB-CB 4.44Å; A454-I476 HydrophobicContact CB-CD1 4.29Å; A454-I476 HydrophobicContact CB-CG1 3.94Å; A454-I476 HydrophobicContact CB-CG2 3.68Å
455G88.3Confident82.9Confident1 Ų132.2 Ų32.21%0.0120%0.201CC..PPolyproline II helixtrans-62155.6173.600000114.1S428 E457 I476 L480S428-G455 PolarHBondContact O-N 3.12Å; G455-E457 WeakPolarHBondContact CA-OE2 3.47Å; G455-I476 WeakPolarHBondContact O-CG2 3.29Å; G455-L480 VanDerWaalsContact O-CD1 3.26Å; G455-L480 WeakPolarHBondContact O-CD1 3.28Å
456N85.1Confident82.2Confident17 Ų1735.7 Ų35.79%0.09122%0.221CC..  trans-114.516.6174.376.9-21.9000113.4Y307 G308 Q309 L480 T538Y307-N456 VanDerWaalsContact CE1-ND2 3.25Å; Y307-N456 WeakPolarHBondContact CE1-ND2 3.32Å; Y307-N456 HydrophobicContact CE2-CB 4.04Å; Y307-N456 WeakPolarHBondContact OH-CB 3.45Å; Y307-N456 PolarHBondContact OH-ND2 3.2Å; G308-N456 PolarHBondContact O-OD1 2.96Å; Q309-N456 WeakPolarHBondContact CA-OD1 3.44Å; Q309-N456 PolarHBondContact N-OD1 3.36Å; N456-L480 HydrophobicContact CB-CD1 3.87Å; N456-T538 PolarHBondContact ND2-OG1 3.49Å
457E75.7Confident81.6Confident42 Ų4244.9 Ų44.920%0.19626%0.255CS..  trans-51.6149.9166.645.7-91.6-151.900113.1T310 G455 D461 N477T310-E457 WeakPolarHBondContact CB-OE1 3.39Å; T310-E457 PolarHBondContact N-OE2 3.31Å; T310-E457 PolarHBondContact OG1-OE1 3.02Å; T310-E457 PolarHBondContact OG1-OE2 3.21Å; G455-E457 WeakPolarHBondContact CA-OE2 3.47Å; E457-D461 HydrophobicContact CB-CB 4.31Å; E457-D461 VanDerWaalsContact CB-OD2 3.31Å; E457-D461 WeakPolarHBondContact CB-OD2 3.3Å; E457-N477 PolarHBondContact O-ND2 3.3Å; E457-N477 VanDerWaalsContact O-ND2 3.16Å
458R69.4Low80.9Confident121 Ų12148.2 Ų48.246%0.45727%0.271SS..  trans-80.3155.9-174.9-62.9174.163-174.1-9.3110A460 D461 E533R458-A460 PolarHBondContact O-N 3.45Å; R458-D461 PolarHBondContact N-OD2 2.89Å; R458-D461 VanDerWaalsContact O-CB 3.27Å; R458-D461 WeakPolarHBondContact O-CB 3.31Å; R458-D461 PolarHBondContact O-N 3.4Å; R458-E533 VanDerWaalsContact CD-OE1 3.23Å; R458-E533 WeakPolarHBondContact CD-OE1 3.37Å; R458-E533 IonicContact CZ-OE1 2.75Å; R458-E533 IonicContact NE-OE1 2.69Å; R458-E533 IonicContact NH1-OE1 2.72Å; R458-E533 PolarHBondContact NH1-OE1 3.13Å; R458-E533 IonicContact NH1-OE2 2.66Å; R458-E533 PolarHBondContact NH1-OE2 2.83Å
459G65.3Low80.1Confident46 Ų4648.8 Ų48.847%0.47427%0.274SS..G310 helixtrans-57.6-32.4175.600000113.3D461 T462 S463G459-D461 VanDerWaalsContact C-N 3.3Å; G459-D461 PolarHBondContact O-N 2.89Å; G459-T462 CarbonylContact O-C 3.56Å; G459-T462 WeakPolarHBondContact O-CA 3.48Å; G459-T462 PolarHBondContact O-N 3.15Å; G459-T462 PolarHBondContact O-OG1 3.46Å; G459-S463 PolarHBondContact O-N 2.9Å
460A65.9Low79.3Confident65 Ų6554.5 Ų54.554%0.53730%0.296SS..G310 helixtrans-57.3-40.8174.200000112.6R458 T462 S463R458-A460 PolarHBondContact O-N 3.45Å; A460-T462 PolarHBondContact O-N 2.97Å; A460-S463 WeakPolarHBondContact O-CB 3.43Å; A460-S463 PolarHBondContact O-N 3.49Å; A460-S463 VanDerWaalsContact O-N 3.13Å; A460-S463 PolarHBondContact O-OG 2.83Å; A460-S463 VanDerWaalsContact O-OG 3.1Å
461D67.7Low78.6Confident86 Ų8658.6 Ų58.646%0.4632%0.317SS..G310 helixtrans-62.4-9.1177.2-41.8-7.4000112.3E457 R458 G459 N534E457-D461 HydrophobicContact CB-CB 4.31Å; E457-D461 VanDerWaalsContact CB-OD2 3.31Å; E457-D461 WeakPolarHBondContact CB-OD2 3.3Å; R458-D461 PolarHBondContact N-OD2 2.89Å; R458-D461 VanDerWaalsContact O-CB 3.27Å; R458-D461 WeakPolarHBondContact O-CB 3.31Å; R458-D461 PolarHBondContact O-N 3.4Å; G459-D461 VanDerWaalsContact C-N 3.3Å; G459-D461 PolarHBondContact O-N 2.89Å; D461-N534 PolarHBondContact OD2-ND2 2.82Å
462T66.6Low78Confident32 Ų3259.1 Ų59.120%0.19632%0.32CS..G310 helixtrans-12910.3-178.763.70000113.9G459 A460 S464 A465 R470G459-T462 CarbonylContact O-C 3.56Å; G459-T462 WeakPolarHBondContact O-CA 3.48Å; G459-T462 PolarHBondContact O-N 3.15Å; G459-T462 PolarHBondContact O-OG1 3.46Å; A460-T462 PolarHBondContact O-N 2.97Å; T462-S464 VanDerWaalsContact C-N 3.34Å; T462-S464 PolarHBondContact O-N 2.86Å; T462-A465 VanDerWaalsContact O-CB 3.25Å; T462-A465 WeakPolarHBondContact O-CB 3.23Å; T462-A465 PolarHBondContact O-N 2.69Å; T462-R470 WeakPolarHBondContact O-CG 3.23Å
463S64.7Low77.4Confident80 Ų8059.8 Ų59.856%0.55933%0.327SS*.THydrogen-bonded Turntrans-58.8-42-174.158.90000113.3G459 A460 A465 R470G459-S463 PolarHBondContact O-N 2.9Å; A460-S463 WeakPolarHBondContact O-CB 3.43Å; A460-S463 PolarHBondContact O-N 3.49Å; A460-S463 VanDerWaalsContact O-N 3.13Å; A460-S463 PolarHBondContact O-OG 2.83Å; A460-S463 VanDerWaalsContact O-OG 3.1Å; S463-A465 VanDerWaalsContact C-N 3.3Å; S463-A465 PolarHBondContact O-N 2.75Å; S463-R470 WeakPolarHBondContact O-CD 3.23Å
464S70.3Confident77Confident120 Ų12062.5 Ų62.584%0.83935%0.349SS*.THydrogen-bonded Turntrans-79.9-4177.256.90000114.4T462T462-S464 VanDerWaalsContact C-N 3.34Å; T462-S464 PolarHBondContact O-N 2.86Å
465A71.9Confident76.9Confident27 Ų2765.1 Ų65.122%0.22336%0.361CS..SBendtrans-76.3163.7176.900000111.8T462 S463 T469 R470T462-A465 VanDerWaalsContact O-CB 3.25Å; T462-A465 WeakPolarHBondContact O-CB 3.23Å; T462-A465 PolarHBondContact O-N 2.69Å; S463-A465 VanDerWaalsContact C-N 3.3Å; S463-A465 PolarHBondContact O-N 2.75Å; A465-T469 HydrophobicContact CB-CG2 3.51Å; A465-R470 WeakPolarHBondContact O-CD 3.4Å; A465-R470 PolarHBondContact O-NH1 2.88Å
466D80.1Confident76.8Confident89 Ų8965.8 Ų65.848%0.47637%0.365SS..  trans-62.6159.8179.771.1-85.5000113.3Q468 T469 R470D466-Q468 PolarHBondContact O-N 2.87Å; D466-Q468 VanDerWaalsContact O-N 3.13Å; D466-Q468 WeakPolarHBondContact OD2-CA 3.41Å; D466-Q468 VanDerWaalsContact OD2-CB 3.29Å; D466-Q468 WeakPolarHBondContact OD2-CB 3.48Å; D466-Q468 PolarHBondContact OD2-N 2.93Å; D466-T469 PolarHBondContact O-N 3.11Å; D466-T469 WeakPolarHBondContact OD1-CB 3.46Å; D466-T469 PolarHBondContact OD1-OG1 2.85Å; D466-T469 PolarHBondContact OD2-N 3.34Å; D466-R470 WeakPolarHBondContact O-CG 3.27Å; D466-R470 PolarHBondContact O-N 3.42Å
467R81.7Confident76.9Confident194 Ų19467.9 Ų67.973%0.73238%0.376SS*.Hα-helixtrans-54.3-35.3-177.3-174.7-178.9-177.7-135.95.3113.4L471R467-L471 HydrophobicContact CG-CD1 4.28Å; R467-L471 VanDerWaalsContact O-CG 3.29Å; R467-L471 WeakPolarHBondContact O-CG 3.21Å; R467-L471 PolarHBondContact O-N 3.31Å; R467-L471 VanDerWaalsContact O-N 3.1Å
468Q80.8Confident77.6Confident90 Ų9071 Ų7142%0.42139%0.389SS..Hα-helixtrans-75.8-43.5-177.9176.653.646.100110.5D466 R470 L471 E472D466-Q468 PolarHBondContact O-N 2.87Å; D466-Q468 VanDerWaalsContact O-N 3.13Å; D466-Q468 WeakPolarHBondContact OD2-CA 3.41Å; D466-Q468 VanDerWaalsContact OD2-CB 3.29Å; D466-Q468 WeakPolarHBondContact OD2-CB 3.48Å; D466-Q468 PolarHBondContact OD2-N 2.93Å; Q468-R470 VanDerWaalsContact C-N 3.33Å; Q468-R470 PolarHBondContact O-N 2.61Å; Q468-L471 PolarHBondContact O-N 2.93Å; Q468-E472 WeakPolarHBondContact CG-OE1 3.22Å; Q468-E472 PolarHBondContact NE2-OE1 2.84Å; Q468-E472 WeakPolarHBondContact O-CG 3.28Å; Q468-E472 PolarHBondContact O-N 3.29Å
469T79Confident78.6Confident12 Ų1265.7 Ų65.77%0.07437%0.37CS..Hα-helixtrans-56.6-42.6168.7-660000112.2R429 A465 D466 E472 G473R429-T469 VanDerWaalsContact CZ-OG1 3.32Å; R429-T469 PolarHBondContact NH1-OG1 3.15Å; R429-T469 VanDerWaalsContact NH2-CG2 3.26Å; R429-T469 PolarHBondContact NH2-OG1 2.97Å; A465-T469 HydrophobicContact CB-CG2 3.51Å; D466-T469 PolarHBondContact O-N 3.11Å; D466-T469 WeakPolarHBondContact OD1-CB 3.46Å; D466-T469 PolarHBondContact OD1-OG1 2.85Å; D466-T469 PolarHBondContact OD2-N 3.34Å; T469-E472 WeakPolarHBondContact O-CB 3.47Å; T469-E472 PolarHBondContact O-N 3.04Å; T469-G473 PolarHBondContact O-N 2.83Å
470R80.6Confident79.7Confident121 Ų12164 Ų6446%0.45735%0.35SS..Hα-helixtrans-65.3-39.6178.7-64.1-167.7-49.5-114.417.7112.5T462 S463 A465 D466 Q468 G473 A474T462-R470 WeakPolarHBondContact O-CG 3.23Å; S463-R470 WeakPolarHBondContact O-CD 3.23Å; A465-R470 WeakPolarHBondContact O-CD 3.4Å; A465-R470 PolarHBondContact O-NH1 2.88Å; D466-R470 WeakPolarHBondContact O-CG 3.27Å; D466-R470 PolarHBondContact O-N 3.42Å; Q468-R470 VanDerWaalsContact C-N 3.33Å; Q468-R470 PolarHBondContact O-N 2.61Å; R470-G473 PolarHBondContact O-N 3.21Å; R470-A474 PolarHBondContact O-N 3.47Å
471L82.7Confident80.8Confident87 Ų8765.3 Ų65.346%0.45535%0.348SS..Hα-helixtrans-67.3-35.2174.9-71.9169.3000112.6R467 Q468 E475R467-L471 HydrophobicContact CG-CD1 4.28Å; R467-L471 VanDerWaalsContact O-CG 3.29Å; R467-L471 WeakPolarHBondContact O-CG 3.21Å; R467-L471 PolarHBondContact O-N 3.31Å; R467-L471 VanDerWaalsContact O-N 3.1Å; Q468-L471 PolarHBondContact O-N 2.93Å; L471-E475 PolarHBondContact O-N 2.86Å
472E82.8Confident81.8Confident11 Ų1161.6 Ų61.65%0.05133%0.329CS..Hα-helixtrans-62.3-50.5170-73.2157.5-14400111Y365 R429 Q468 T469 A474 E475 I476Y365-E472 HydrophobicContact CE2-CG 3.84Å; Y365-E472 PolarHBondContact OH-OE1 3.26Å; R429-E472 WeakPolarHBondContact CD-OE2 3.5Å; R429-E472 IonicContact CZ-OE2 3.13Å; R429-E472 IonicContact NE-OE2 2.73Å; R429-E472 IonicContact NH1-OE2 3.2Å; R429-E472 PolarHBondContact NH1-OE2 2.79Å; Q468-E472 WeakPolarHBondContact CG-OE1 3.22Å; Q468-E472 PolarHBondContact NE2-OE1 2.84Å; Q468-E472 WeakPolarHBondContact O-CG 3.28Å; Q468-E472 PolarHBondContact O-N 3.29Å; T469-E472 WeakPolarHBondContact O-CB 3.47Å; T469-E472 PolarHBondContact O-N 3.04Å; E472-A474 VanDerWaalsContact C-N 3.26Å; E472-A474 PolarHBondContact O-N 3.34Å; E472-E475 PolarHBondContact O-N 3.46Å; E472-I476 HydrophobicContact CB-CD1 4.46Å; E472-I476 WeakPolarHBondContact O-CB 3.41Å; E472-I476 VanDerWaalsContact O-CD1 3.31Å; E472-I476 WeakPolarHBondContact O-CD1 3.29Å; E472-I476 WeakPolarHBondContact O-CG1 3.19Å; E472-I476 PolarHBondContact O-N 2.88Å
473G83.1Confident82.8Confident14 Ų1460.1 Ų60.114%0.14432%0.32CS..Hα-helixtrans-55.4-37.7177.100000113.8T469 R470 N477T469-G473 PolarHBondContact O-N 2.83Å; R470-G473 PolarHBondContact O-N 3.21Å; G473-N477 WeakPolarHBondContact O-CB 3.34Å; G473-N477 PolarHBondContact O-N 2.83Å; G473-N477 PolarHBondContact O-ND2 3.16Å
474A84.5Confident83.7Confident58 Ų5860.3 Ų60.348%0.47931%0.31SS..Hα-helixtrans-67.4-48.8175.500000112.9R470 E472 I476 N477 K478R470-A474 PolarHBondContact O-N 3.47Å; E472-A474 VanDerWaalsContact C-N 3.26Å; E472-A474 PolarHBondContact O-N 3.34Å; A474-I476 VanDerWaalsContact C-N 3.34Å; A474-I476 PolarHBondContact O-N 3.05Å; A474-N477 PolarHBondContact O-N 3.2Å; A474-K478 WeakPolarHBondContact O-CB 3.32Å; A474-K478 PolarHBondContact O-N 3.03Å
475E88.5Confident84.4Confident55 Ų5557.1 Ų57.126%0.25728%0.282SS..Hα-helixtrans-66.6-34.4177.7-81.9-68.5132.500112.5G367 L471 E472 K478 S479G367-E475 WeakPolarHBondContact CA-OE2 3.49Å; G367-E475 PolarHBondContact N-OE2 2.87Å; L471-E475 PolarHBondContact O-N 2.86Å; E472-E475 PolarHBondContact O-N 3.46Å; E475-K478 VanDerWaalsContact OE1-CD 3.28Å; E475-K478 WeakPolarHBondContact OE1-CD 3.33Å; E475-K478 WeakPolarHBondContact OE1-CE 3.49Å; E475-K478 IonicContact OE1-NZ 2.73Å; E475-K478 PolarHBondContact OE1-NZ 2.89Å; E475-K478 IonicContact OE2-NZ 3.91Å; E475-S479 WeakPolarHBondContact O-CB 3.25Å; E475-S479 PolarHBondContact O-N 3.48Å; E475-S479 PolarHBondContact O-OG 3.02Å
476I87Confident85.1Confident15 Ų1555.9 Ų55.98%0.07727%0.272CS..Hα-helixtrans-60.1-57.3171.8-68.3158.7000109.7R429 A454 G455 E472 A474 K478 S479 L480R429-I476 HydrophobicContact CB-CD1 4Å; R429-I476 HydrophobicContact CG-CD1 4.28Å; A454-I476 HydrophobicContact CB-CB 4.44Å; A454-I476 HydrophobicContact CB-CD1 4.29Å; A454-I476 HydrophobicContact CB-CG1 3.94Å; A454-I476 HydrophobicContact CB-CG2 3.68Å; G455-I476 WeakPolarHBondContact O-CG2 3.29Å; E472-I476 HydrophobicContact CB-CD1 4.46Å; E472-I476 WeakPolarHBondContact O-CB 3.41Å; E472-I476 VanDerWaalsContact O-CD1 3.31Å; E472-I476 WeakPolarHBondContact O-CD1 3.29Å; E472-I476 WeakPolarHBondContact O-CG1 3.19Å; E472-I476 PolarHBondContact O-N 2.88Å; A474-I476 VanDerWaalsContact C-N 3.34Å; A474-I476 PolarHBondContact O-N 3.05Å; I476-K478 VanDerWaalsContact C-N 3.32Å; I476-K478 PolarHBondContact O-N 3.39Å; I476-S479 PolarHBondContact O-N 2.67Å; I476-S479 VanDerWaalsContact O-N 3.08Å; I476-S479 PolarHBondContact O-OG 3.35Å; I476-L480 HydrophobicContact CG2-CD1 4.07Å; I476-L480 PolarHBondContact O-N 2.84Å
477N86.6Confident84.9Confident60 Ų6051.7 Ų51.732%0.32125%0.249SC..Hα-helixtrans-60.1-40.2-179.3-87.9-73.9000112.5E457 G473 A474 S479 L480 L481E457-N477 PolarHBondContact O-ND2 3.3Å; E457-N477 VanDerWaalsContact O-ND2 3.16Å; G473-N477 WeakPolarHBondContact O-CB 3.34Å; G473-N477 PolarHBondContact O-N 2.83Å; G473-N477 PolarHBondContact O-ND2 3.16Å; A474-N477 PolarHBondContact O-N 3.2Å; N477-S479 PolarHBondContact O-N 3.04Å; N477-L480 PolarHBondContact O-N 2.96Å; N477-L481 VanDerWaalsContact O-CB 3.23Å; N477-L481 WeakPolarHBondContact O-CB 3.44Å; N477-L481 PolarHBondContact O-N 3.41Å
478K89.7Confident84.7Confident108 Ų10846.1 Ų46.147%0.4723%0.228SC..Hα-helixtrans-58.2-44.1172.5176.7-178.4174.5-177.60112.7A474 E475 I476 A482A474-K478 WeakPolarHBondContact O-CB 3.32Å; A474-K478 PolarHBondContact O-N 3.03Å; E475-K478 VanDerWaalsContact OE1-CD 3.28Å; E475-K478 WeakPolarHBondContact OE1-CD 3.33Å; E475-K478 WeakPolarHBondContact OE1-CE 3.49Å; E475-K478 IonicContact OE1-NZ 2.73Å; E475-K478 PolarHBondContact OE1-NZ 2.89Å; E475-K478 IonicContact OE2-NZ 3.91Å; I476-K478 VanDerWaalsContact C-N 3.32Å; I476-K478 PolarHBondContact O-N 3.39Å; K478-A482 WeakPolarHBondContact O-CB 3.49Å; K478-A482 PolarHBondContact O-N 3.35Å
479S91.8Very high84.6Confident10 Ų1042 Ų427%0.0721%0.21CC..Hα-helixtrans-70.7-35.5178.667.20000113.5H431 E475 I476 N477 L483H431-S479 PolarHBondContact NE2-OG 3.49Å; E475-S479 WeakPolarHBondContact O-CB 3.25Å; E475-S479 PolarHBondContact O-N 3.48Å; E475-S479 PolarHBondContact O-OG 3.02Å; I476-S479 PolarHBondContact O-N 2.67Å; I476-S479 VanDerWaalsContact O-N 3.08Å; I476-S479 PolarHBondContact O-OG 3.35Å; N477-S479 PolarHBondContact O-N 3.04Å; S479-L483 PolarHBondContact O-N 3.19Å
480L88.4Confident84.4Confident9 Ų943.7 Ų43.75%0.04722%0.218CC..Hα-helixtrans-73.6-34.5174.4-65.1179.6000112.1Y307 L453 G455 N456 I476 N477 L483 K484Y307-L480 HydrophobicContact CD2-CD2 4.24Å; Y307-L480 HydrophobicContact CE2-CD1 4.14Å; Y307-L480 HydrophobicContact CE2-CD2 4.01Å; L453-L480 HydrophobicContact CD1-CD2 4.19Å; G455-L480 VanDerWaalsContact O-CD1 3.26Å; G455-L480 WeakPolarHBondContact O-CD1 3.28Å; N456-L480 HydrophobicContact CB-CD1 3.87Å; I476-L480 HydrophobicContact CG2-CD1 4.07Å; I476-L480 PolarHBondContact O-N 2.84Å; N477-L480 PolarHBondContact O-N 2.96Å; L480-L483 PolarHBondContact O-N 3.03Å; L480-K484 WeakPolarHBondContact O-CB 3.08Å; L480-K484 PolarHBondContact O-N 3.03Å
481L87.8Confident83.6Confident94 Ų9439.5 Ų39.549%0.49221%0.213SC..Hα-helixtrans-66.9-42.8170.8179.860.3000111.4N477 L483 K484 E485N477-L481 VanDerWaalsContact O-CB 3.23Å; N477-L481 WeakPolarHBondContact O-CB 3.44Å; N477-L481 PolarHBondContact O-N 3.41Å; L481-L483 VanDerWaalsContact C-N 3.3Å; L481-L483 PolarHBondContact O-N 2.94Å; L481-K484 HydrophobicContact CD1-CD 4.2Å; L481-K484 WeakPolarHBondContact O-CB 3.45Å; L481-K484 PolarHBondContact O-N 3.03Å; L481-E485 HydrophobicContact CD1-CG 4.23Å; L481-E485 WeakPolarHBondContact O-CB 3.44Å; L481-E485 WeakPolarHBondContact O-CG 3.43Å; L481-E485 PolarHBondContact O-N 3.34Å
482A89.7Confident83.2Confident8 Ų843.6 Ų43.67%0.06622%0.222CC..Hα-helixtrans-58.5-43.1172.400000111.3K478 E485 C486 A501 T505K478-A482 WeakPolarHBondContact O-CB 3.49Å; K478-A482 PolarHBondContact O-N 3.35Å; A482-E485 PolarHBondContact O-N 2.94Å; A482-C486 PolarHBondContact O-N 3.31Å; A482-C486 PolarHBondContact O-SG 3.17Å; A482-A501 HydrophobicContact CB-CB 3.83Å; A482-T505 HydrophobicContact CB-CG2 3.99Å
483L87.9Confident82.8Confident1 Ų149.5 Ų49.51%0.00525%0.254CS..Hα-helixtrans-61.2-50.9174.7-175.464.2000110.9F305 L453 S479 L480 L481 E485 C486 I487 L504 T505 L508 F512F305-L483 HydrophobicContact CE2-CD2 4.5Å; L453-L483 HydrophobicContact CD1-CD2 4.27Å; S479-L483 PolarHBondContact O-N 3.19Å; L480-L483 PolarHBondContact O-N 3.03Å; L481-L483 VanDerWaalsContact C-N 3.3Å; L481-L483 PolarHBondContact O-N 2.94Å; L483-E485 VanDerWaalsContact C-N 3.29Å; L483-E485 PolarHBondContact O-N 3.4Å; L483-C486 PolarHBondContact O-N 2.86Å; L483-C486 VanDerWaalsContact O-N 3.13Å; L483-I487 HydrophobicContact CD1-CD1 4.21Å; L483-I487 HydrophobicContact CD1-CG1 4.3Å; L483-I487 HydrophobicContact CG-CD1 4.12Å; L483-I487 WeakPolarHBondContact O-CG1 3.38Å; L483-I487 PolarHBondContact O-N 2.98Å; L483-L504 HydrophobicContact CD2-CD2 4.43Å; L483-T505 HydrophobicContact CB-CG2 4.08Å; L483-T505 HydrophobicContact CD1-CG2 4.26Å; L483-L508 HydrophobicContact CD1-CD1 4.36Å; L483-F512 HydrophobicContact CD1-CE2 3.92Å; L483-F512 HydrophobicContact CD1-CZ 4.05Å
484K82.6Confident82.6Confident83 Ų8353.4 Ų53.436%0.36127%0.267SS..Hα-helixtrans-50.1-46.9174178.1178.7172.9-171.20112.7L480 L481 R488 Y541L480-K484 WeakPolarHBondContact O-CB 3.08Å; L480-K484 PolarHBondContact O-N 3.03Å; L481-K484 HydrophobicContact CD1-CD 4.2Å; L481-K484 WeakPolarHBondContact O-CB 3.45Å; L481-K484 PolarHBondContact O-N 3.03Å; K484-R488 WeakPolarHBondContact O-CB 3.45Å; K484-R488 PolarHBondContact O-N 3.47Å; K484-Y541 HydrophobicContact CB-CD2 4.33Å; K484-Y541 HydrophobicContact CB-CE2 3.57Å; K484-Y541 HydrophobicContact CD-CD2 4.34Å; K484-Y541 HydrophobicContact CD-CE2 4.38Å; K484-Y541 HydrophobicContact CG-CD2 4.15Å; K484-Y541 HydrophobicContact CG-CE2 3.79Å
485E84.9Confident82.3Confident53 Ų5357.6 Ų57.625%0.24829%0.29CS..Hα-helixtrans-73.6-30.1-178.9-71.6-58.8108.200113.4L481 A482 L483 R488 A489 P498L481-E485 HydrophobicContact CD1-CG 4.23Å; L481-E485 WeakPolarHBondContact O-CB 3.44Å; L481-E485 WeakPolarHBondContact O-CG 3.43Å; L481-E485 PolarHBondContact O-N 3.34Å; A482-E485 PolarHBondContact O-N 2.94Å; L483-E485 VanDerWaalsContact C-N 3.29Å; L483-E485 PolarHBondContact O-N 3.4Å; E485-R488 WeakPolarHBondContact OE1-CD 3.37Å; E485-R488 IonicContact OE1-CZ 2.73Å; E485-R488 IonicContact OE1-NE 3.03Å; E485-R488 PolarHBondContact OE1-NE 3.1Å; E485-R488 IonicContact OE1-NH2 3.86Å; E485-R488 IonicContact OE2-CZ 3.33Å; E485-R488 IonicContact OE2-NE 3.36Å; E485-R488 PolarHBondContact OE2-NE 2.88Å; E485-R488 IonicContact OE2-NH2 3.9Å; E485-R488 PolarHBondContact OE2-NH2 3.13Å; E485-A489 VanDerWaalsContact O-CB 3.27Å; E485-A489 WeakPolarHBondContact O-CB 3.49Å; E485-A489 PolarHBondContact O-N 2.73Å; E485-P498 HydrophobicContact CB-CG 4.29Å
486C85.9Confident82.1Confident1 Ų161.6 Ų61.61%0.00731%0.308CS..Hα-helixtrans-64.2-53.8170.5-68.80000111A482 L483 R488 A489 L490 T497 P498 F499 T505A482-C486 PolarHBondContact O-N 3.31Å; A482-C486 PolarHBondContact O-SG 3.17Å; L483-C486 PolarHBondContact O-N 2.86Å; L483-C486 VanDerWaalsContact O-N 3.13Å; C486-R488 VanDerWaalsContact C-N 3.32Å; C486-R488 PolarHBondContact O-N 3.27Å; C486-A489 PolarHBondContact O-N 3.3Å; C486-A489 VanDerWaalsContact O-N 3.12Å; C486-L490 WeakPolarHBondContact O-CG 3.35Å; C486-L490 PolarHBondContact O-N 2.98Å; C486-T497 HydrophobicContact CB-CG2 3.99Å; C486-T497 WeakPolarHBondContact O-CG2 3.04Å; C486-P498 VanDerWaalsContact SG-C 3.54Å; C486-F499 HydrophobicContact CB-CD1 4.26Å; C486-F499 HydrophobicContact CB-CE1 4.17Å; C486-T505 HydrophobicContact CB-CG2 4.37Å
487I77.7Confident82Confident1 Ų162 Ų621%0.00531%0.311CS..Hα-helixtrans-66.9-36.4-177.3-38.7168000110.6F305 L483 A489 L490 G491 F512 V545 F548F305-I487 HydrophobicContact CZ-CD1 4.48Å; L483-I487 HydrophobicContact CD1-CD1 4.21Å; L483-I487 HydrophobicContact CD1-CG1 4.3Å; L483-I487 HydrophobicContact CG-CD1 4.12Å; L483-I487 WeakPolarHBondContact O-CG1 3.38Å; L483-I487 PolarHBondContact O-N 2.98Å; I487-A489 VanDerWaalsContact C-N 3.33Å; I487-A489 PolarHBondContact O-N 3.29Å; I487-L490 PolarHBondContact O-N 2.94Å; I487-G491 PolarHBondContact O-N 3.05Å; I487-F512 HydrophobicContact CD1-CE1 4.3Å; I487-F512 HydrophobicContact CD1-CZ 4.24Å; I487-F512 HydrophobicContact CG1-CE1 4.09Å; I487-F512 HydrophobicContact CG1-CZ 4.19Å; I487-V545 HydrophobicContact CD1-CG1 4.36Å; I487-V545 HydrophobicContact CD1-CG2 4Å; I487-V545 HydrophobicContact CG2-CG1 4.46Å; I487-F548 HydrophobicContact CB-CD2 4.18Å; I487-F548 HydrophobicContact CB-CE2 3.83Å; I487-F548 HydrophobicContact CG2-CD2 3.22Å; I487-F548 HydrophobicContact CG2-CE2 3.4Å; I487-F548 VanDerWaalsContact CG2-CE2 3.4Å; I487-F548 HydrophobicContact CG2-CG 4.32Å; I487-F548 WeakPolarHBondContact O-CE2 3.37Å
488R76Confident82.1Confident77 Ų7761 Ų6129%0.29131%0.308SS..Hα-helixtrans-61.3-34.6171.9-171.5-1747795.2-7.3113.8K484 E485 C486 R492K484-R488 WeakPolarHBondContact O-CB 3.45Å; K484-R488 PolarHBondContact O-N 3.47Å; E485-R488 WeakPolarHBondContact OE1-CD 3.37Å; E485-R488 IonicContact OE1-CZ 2.73Å; E485-R488 IonicContact OE1-NE 3.03Å; E485-R488 PolarHBondContact OE1-NE 3.1Å; E485-R488 IonicContact OE1-NH2 3.86Å; E485-R488 IonicContact OE2-CZ 3.33Å; E485-R488 IonicContact OE2-NE 3.36Å; E485-R488 PolarHBondContact OE2-NE 2.88Å; E485-R488 IonicContact OE2-NH2 3.9Å; E485-R488 PolarHBondContact OE2-NH2 3.13Å; C486-R488 VanDerWaalsContact C-N 3.32Å; C486-R488 PolarHBondContact O-N 3.27Å; R488-R492 PolarHBondContact O-N 3.1Å
489A79.1Confident82Confident4 Ų456.3 Ų56.33%0.03329%0.287CS..Hα-helixtrans-74-41.5177.500000111.7E485 C486 I487 R492 N493 K494 T497E485-A489 VanDerWaalsContact O-CB 3.27Å; E485-A489 WeakPolarHBondContact O-CB 3.49Å; E485-A489 PolarHBondContact O-N 2.73Å; C486-A489 PolarHBondContact O-N 3.3Å; C486-A489 VanDerWaalsContact O-N 3.12Å; I487-A489 VanDerWaalsContact C-N 3.33Å; I487-A489 PolarHBondContact O-N 3.29Å; A489-R492 PolarHBondContact O-N 2.8Å; A489-N493 PolarHBondContact O-N 3.3Å; A489-K494 HydrophobicContact CB-CB 4.16Å; A489-K494 HydrophobicContact CB-CD 4.01Å; A489-K494 HydrophobicContact CB-CG 4.4Å; A489-K494 WeakPolarHBondContact O-CB 3.35Å; A489-K494 PolarHBondContact O-N 3.28Å; A489-T497 HydrophobicContact CB-CG2 4.09Å
490L75Confident81.9Confident48 Ų4863.5 Ų63.525%0.25131%0.313SS..Hα-helixtrans-58.4-50.4172.5-64.6168.6000111.2C486 I487 R492 N493 T497 F499 F512C486-L490 WeakPolarHBondContact O-CG 3.35Å; C486-L490 PolarHBondContact O-N 2.98Å; I487-L490 PolarHBondContact O-N 2.94Å; L490-R492 PolarHBondContact O-N 3.09Å; L490-R492 VanDerWaalsContact O-N 3.1Å; L490-N493 WeakPolarHBondContact O-CA 3.5Å; L490-N493 PolarHBondContact O-N 3.13Å; L490-T497 HydrophobicContact CD2-CG2 4.1Å; L490-T497 HydrophobicContact CG-CG2 3.97Å; L490-F499 HydrophobicContact CD1-CZ 4.08Å; L490-F499 HydrophobicContact CD2-CE2 4.42Å; L490-F499 HydrophobicContact CD2-CZ 4.23Å; L490-F499 HydrophobicContact CG-CZ 4.46Å; L490-F512 HydrophobicContact CD1-CB 3.77Å; L490-F512 HydrophobicContact CD1-CD1 4.12Å; L490-F512 HydrophobicContact CD1-CG 4.17Å
491G64.4Low82Confident33 Ų3365.7 Ų65.734%0.3433%0.332SS..Hα-helixtrans-62.7-17.6-179.200000115.8I487I487-G491 PolarHBondContact O-N 3.05Å
492R74.6Confident82.2Confident172 Ų17261.9 Ų61.965%0.64931%0.314SS*.THydrogen-bonded Turntrans-10413.4173.3-64.1-175.9-177.5-163.7-0.9112.4R488 A489 L490 K494R488-R492 PolarHBondContact O-N 3.1Å; A489-R492 PolarHBondContact O-N 2.8Å; L490-R492 PolarHBondContact O-N 3.09Å; L490-R492 VanDerWaalsContact O-N 3.1Å; R492-K494 HydrophobicContact CB-CG 4.35Å; R492-K494 PolarHBondContact O-N 2.85Å; R492-K494 VanDerWaalsContact O-N 3.12Å
493N73.6Confident82.3Confident135 Ų13564.6 Ų64.672%0.72232%0.324SS*.THydrogen-bonded Turntrans44.242.3-174.8-68.1-52.9000112.9A489 L490A489-N493 PolarHBondContact O-N 3.3Å; L490-N493 WeakPolarHBondContact O-CA 3.5Å; L490-N493 PolarHBondContact O-N 3.13Å
494K78.1Confident82.5Confident96 Ų9664.6 Ų64.642%0.41732%0.324SS..  trans-65.9134.3179.6-77.4-165.7167.4-164.30110.5A489 R492 H496A489-K494 HydrophobicContact CB-CB 4.16Å; A489-K494 HydrophobicContact CB-CD 4.01Å; A489-K494 HydrophobicContact CB-CG 4.4Å; A489-K494 WeakPolarHBondContact O-CB 3.35Å; A489-K494 PolarHBondContact O-N 3.28Å; R492-K494 HydrophobicContact CB-CG 4.35Å; R492-K494 PolarHBondContact O-N 2.85Å; R492-K494 VanDerWaalsContact O-N 3.12Å; K494-H496 PolarHBondContact O-N 2.77Å; K494-H496 VanDerWaalsContact O-N 3.09Å
495P79.9Confident82.8Confident147 Ų14760.7 Ų60.796%0.95531%0.307SS*.SBendtrans-55.8-30.1177.1-27.534.9000114.2
496H83.4Confident83.1Confident139 Ų13959.7 Ų59.764%0.64430%0.302SS*.  trans-120.9119.7174.2178.1-93.6000110.9K494K494-H496 PolarHBondContact O-N 2.77Å; K494-H496 VanDerWaalsContact O-N 3.09Å
497T84.9Confident83.2Confident24 Ų2460.1 Ų60.115%0.14731%0.305CS..  trans-103.6126.8171.8-67.60000109.5C486 A489 L490 F499C486-T497 HydrophobicContact CB-CG2 3.99Å; C486-T497 WeakPolarHBondContact O-CG2 3.04Å; A489-T497 HydrophobicContact CB-CG2 4.09Å; L490-T497 HydrophobicContact CD2-CG2 4.1Å; L490-T497 HydrophobicContact CG-CG2 3.97Å; T497-F499 HydrophobicContact CG2-CD2 3.56Å; T497-F499 HydrophobicContact CG2-CE1 4.24Å; T497-F499 HydrophobicContact CG2-CE2 3.19Å; T497-F499 HydrophobicContact CG2-CG 4.23Å; T497-F499 HydrophobicContact CG2-CZ 3.6Å; T497-F499 PolarHBondContact O-N 2.71Å
498P88.4Confident83.6Confident38 Ų3860.1 Ų60.125%0.24731%0.305CS..  trans-79.446.4-164.834-39.2000114.8E485 C486 R500 A501E485-P498 HydrophobicContact CB-CG 4.29Å; C486-P498 VanDerWaalsContact SG-C 3.54Å; P498-R500 PolarHBondContact O-N 2.87Å; P498-A501 VanDerWaalsContact O-CB 3.24Å; P498-A501 WeakPolarHBondContact O-CB 3.36Å; P498-A501 PolarHBondContact O-N 2.84Å
499F88.8Confident84.1Confident9 Ų958.6 Ų58.64%0.03930%0.299CS..G310 helixtrans-53.9-28.6-177.4-71.9-73.6000114.1C486 L490 T497 A501 T505 Q506 R509 F512 I513C486-F499 HydrophobicContact CB-CD1 4.26Å; C486-F499 HydrophobicContact CB-CE1 4.17Å; L490-F499 HydrophobicContact CD1-CZ 4.08Å; L490-F499 HydrophobicContact CD2-CE2 4.42Å; L490-F499 HydrophobicContact CD2-CZ 4.23Å; L490-F499 HydrophobicContact CG-CZ 4.46Å; T497-F499 HydrophobicContact CG2-CD2 3.56Å; T497-F499 HydrophobicContact CG2-CE1 4.24Å; T497-F499 HydrophobicContact CG2-CE2 3.19Å; T497-F499 HydrophobicContact CG2-CG 4.23Å; T497-F499 HydrophobicContact CG2-CZ 3.6Å; T497-F499 PolarHBondContact O-N 2.71Å; F499-A501 PolarHBondContact O-N 3.34Å; F499-T505 WeakPolarHBondContact CD1-O 3.27Å; F499-T505 CarbonylContact O-C 3.56Å; F499-T505 VanDerWaalsContact O-C 3.24Å; F499-T505 VanDerWaalsContact O-CB 3.26Å; F499-T505 WeakPolarHBondContact O-CB 3.19Å; F499-T505 PolarHBondContact O-OG1 2.92Å; F499-Q506 WeakPolarHBondContact O-CG 3.46Å; F499-Q506 PolarHBondContact O-N 2.93Å; F499-Q506 VanDerWaalsContact O-N 3.1Å; F499-R509 HydrophobicContact CB-CB 4.4Å; F499-R509 HydrophobicContact CB-CG 4.23Å; F499-R509 HydrophobicContact CD1-CB 4.22Å; F499-R509 HydrophobicContact CD1-CG 4.36Å; F499-R509 HydrophobicContact CD2-CG 4.07Å; F499-R509 HydrophobicContact CG-CB 4.24Å; F499-R509 HydrophobicContact CG-CG 3.97Å; F499-F512 HydrophobicContact CE1-CB 3.89Å; F499-F512 HydrophobicContact CE1-CD2 4.07Å; F499-F512 HydrophobicContact CE1-CG 4.31Å; F499-F512 HydrophobicContact CZ-CB 3.79Å; F499-I513 HydrophobicContact CD2-CD1 3.9Å; F499-I513 HydrophobicContact CD2-CG1 4.36Å; F499-I513 HydrophobicContact CE2-CD1 3.45Å; F499-I513 VanDerWaalsContact CE2-CD1 3.45Å; F499-I513 HydrophobicContact CE2-CG1 3.46Å; F499-I513 VanDerWaalsContact CE2-CG1 3.46Å; F499-I513 HydrophobicContact CZ-CD1 4.15Å; F499-I513 HydrophobicContact CZ-CG1 3.69Å
500R89Confident84.2Confident161 Ų16159.4 Ų59.461%0.60830%0.303SS*.G310 helixtrans-69.8-12.2178-65.3-176.3-176.21484.3114.5E383 P498 S502 Q506E383-R500 IonicContact OE1-CZ 3.35Å; E383-R500 IonicContact OE1-NE 3.95Å; E383-R500 IonicContact OE1-NH2 2.67Å; E383-R500 PolarHBondContact OE1-NH2 3.22Å; E383-R500 IonicContact OE2-CZ 3.44Å; E383-R500 IonicContact OE2-NE 2.95Å; E383-R500 PolarHBondContact OE2-NE 2.9Å; E383-R500 IonicContact OE2-NH2 3.62Å; E383-R500 PolarHBondContact OE2-NH2 2.65Å; P498-R500 PolarHBondContact O-N 2.87Å; R500-S502 VanDerWaalsContact C-N 3.28Å; R500-S502 PolarHBondContact O-N 2.87Å; R500-Q506 PolarHBondContact O-NE2 2.98Å
501A89.8Confident84.3Confident55 Ų5557.2 Ų57.246%0.45529%0.292SS..G310 helixtrans-64.9-19.2-174.500000115.8A482 P498 F499A482-A501 HydrophobicContact CB-CB 3.83Å; P498-A501 VanDerWaalsContact O-CB 3.24Å; P498-A501 WeakPolarHBondContact O-CB 3.36Å; P498-A501 PolarHBondContact O-N 2.84Å; F499-A501 PolarHBondContact O-N 3.34Å
502S93.1Very high85Confident14 Ų1456.5 Ų56.510%0.09828%0.279CS..SBendtrans-149.3160.4171.975.70000111.9R500 L504 T505 Q506R500-S502 VanDerWaalsContact C-N 3.28Å; R500-S502 PolarHBondContact O-N 2.87Å; S502-L504 VanDerWaalsContact C-N 3.28Å; S502-L504 PolarHBondContact O-N 2.61Å; S502-L504 PolarHBondContact OG-N 3.22Å; S502-T505 PolarHBondContact N-OG1 3.01Å; S502-T505 VanDerWaalsContact N-OG1 3.13Å; S502-T505 PolarHBondContact O-N 3.35Å; S502-T505 PolarHBondContact O-OG1 3.22Å; S502-T505 PolarHBondContact OG-N 2.9Å; S502-T505 PolarHBondContact OG-OG1 3.2Å; S502-Q506 VanDerWaalsContact O-CG 3.28Å; S502-Q506 WeakPolarHBondContact O-CG 3.28Å; S502-Q506 PolarHBondContact O-N 2.93Å
503K91.3Very high85.3Confident65 Ų6551.9 Ų51.928%0.28327%0.267SS..Hα-helixtrans-66.3-28.9173.6-70.7-50.3-170.61780113.2I364 G367 V369 V381 V507I364-K503 HydrophobicContact CG2-CB 4.11Å; G367-K503 VanDerWaalsContact O-CG 3.32Å; G367-K503 WeakPolarHBondContact O-CG 3.17Å; V369-K503 HydrophobicContact CG2-CB 4.36Å; V381-K503 HydrophobicContact CB-CD 4.02Å; V381-K503 HydrophobicContact CG1-CD 4.37Å; V381-K503 HydrophobicContact CG2-CD 4.36Å; V381-K503 PolarHBondContact O-NZ 2.84Å; K503-V507 WeakPolarHBondContact O-CB 3.3Å; K503-V507 VanDerWaalsContact O-CG2 3.31Å; K503-V507 WeakPolarHBondContact O-CG2 3.49Å; K503-V507 PolarHBondContact O-N 2.83Å
504L91.2Very high85.3Confident1 Ų146.6 Ų46.61%0.00524%0.244CC..Hα-helixtrans-61.2-54.4171.5179.865.8000110.6I364 H431 L453 L483 S502 Q506 V507 L508I364-L504 HydrophobicContact CD1-CB 4.26Å; I364-L504 HydrophobicContact CD1-CD1 4.14Å; H431-L504 HydrophobicContact CB-CD1 4.42Å; L453-L504 HydrophobicContact CD2-CD1 3.97Å; L453-L504 HydrophobicContact CD2-CD2 3.8Å; L483-L504 HydrophobicContact CD2-CD2 4.43Å; S502-L504 VanDerWaalsContact C-N 3.28Å; S502-L504 PolarHBondContact O-N 2.61Å; S502-L504 PolarHBondContact OG-N 3.22Å; L504-Q506 VanDerWaalsContact C-N 3.32Å; L504-Q506 PolarHBondContact O-N 2.97Å; L504-V507 PolarHBondContact O-N 3.2Å; L504-L508 HydrophobicContact CD1-CD1 3.89Å; L504-L508 HydrophobicContact CD1-CG 4.34Å; L504-L508 HydrophobicContact CG-CD1 4.12Å; L504-L508 WeakPolarHBondContact O-CG 3.44Å; L504-L508 PolarHBondContact O-N 2.84Å
505T90.6Very high85.2Confident1 Ų151.3 Ų51.31%0.00627%0.267CS..Hα-helixtrans-67.4-29.4-179.351.10000113.6A482 L483 C486 F499 S502 R509A482-T505 HydrophobicContact CB-CG2 3.99Å; L483-T505 HydrophobicContact CB-CG2 4.08Å; L483-T505 HydrophobicContact CD1-CG2 4.26Å; C486-T505 HydrophobicContact CB-CG2 4.37Å; F499-T505 WeakPolarHBondContact CD1-O 3.27Å; F499-T505 CarbonylContact O-C 3.56Å; F499-T505 VanDerWaalsContact O-C 3.24Å; F499-T505 VanDerWaalsContact O-CB 3.26Å; F499-T505 WeakPolarHBondContact O-CB 3.19Å; F499-T505 PolarHBondContact O-OG1 2.92Å; S502-T505 PolarHBondContact N-OG1 3.01Å; S502-T505 VanDerWaalsContact N-OG1 3.13Å; S502-T505 PolarHBondContact O-N 3.35Å; S502-T505 PolarHBondContact O-OG1 3.22Å; S502-T505 PolarHBondContact OG-N 2.9Å; S502-T505 PolarHBondContact OG-OG1 3.2Å; T505-R509 PolarHBondContact O-N 2.84Å
506Q90.3Very high85.4Confident32 Ų3247.6 Ų47.615%0.1524%0.24CC..Hα-helixtrans-62.8-52.9170.1-72.1173.424.900110.5V381 V389 F499 R500 S502 L504 L508 R509V381-Q506 HydrophobicContact CG1-CB 4.23Å; V389-Q506 WeakPolarHBondContact CB-O 3.48Å; V389-Q506 HydrophobicContact CG1-CB 4.33Å; V389-Q506 WeakPolarHBondContact CG1-O 3.35Å; V389-Q506 WeakPolarHBondContact CG2-O 3.27Å; F499-Q506 WeakPolarHBondContact O-CG 3.46Å; F499-Q506 PolarHBondContact O-N 2.93Å; F499-Q506 VanDerWaalsContact O-N 3.1Å; R500-Q506 PolarHBondContact O-NE2 2.98Å; S502-Q506 VanDerWaalsContact O-CG 3.28Å; S502-Q506 WeakPolarHBondContact O-CG 3.28Å; S502-Q506 PolarHBondContact O-N 2.93Å; L504-Q506 VanDerWaalsContact C-N 3.32Å; L504-Q506 PolarHBondContact O-N 2.97Å; Q506-L508 PolarHBondContact O-N 3.3Å; Q506-R509 VanDerWaalsContact O-CB 3.31Å; Q506-R509 WeakPolarHBondContact O-CB 3.5Å; Q506-R509 PolarHBondContact O-N 3.17Å
507V88.4Confident85.6Confident10 Ų1041.2 Ų41.26%0.06121%0.21CC..Hα-helixtrans-60.4-31.7179.6166.80000112.7F362 I364 V381 V391 K503 L504F362-V507 HydrophobicContact CE2-CG1 4.1Å; F362-V507 HydrophobicContact CZ-CG1 3.79Å; I364-V507 HydrophobicContact CD1-CB 4.48Å; I364-V507 HydrophobicContact CD1-CG2 4.32Å; V381-V507 HydrophobicContact CG1-CG2 4.29Å; V381-V507 HydrophobicContact CG2-CG2 4.2Å; V391-V507 HydrophobicContact CG2-CG2 4.14Å; K503-V507 WeakPolarHBondContact O-CB 3.3Å; K503-V507 VanDerWaalsContact O-CG2 3.31Å; K503-V507 WeakPolarHBondContact O-CG2 3.49Å; K503-V507 PolarHBondContact O-N 2.83Å; L504-V507 PolarHBondContact O-N 3.2Å
508L85.6Confident85.8Confident1 Ų142 Ų421%0.00521%0.211CC..Hα-helixtrans-89.2-3.2-179.7-58.6-177.3000115I451 L483 L504 Q506 D510 S511 F512I451-L508 HydrophobicContact CD1-CD1 4.05Å; I451-L508 HydrophobicContact CD1-CD2 3.42Å; I451-L508 VanDerWaalsContact CD1-CD2 3.42Å; I451-L508 HydrophobicContact CD1-CG 4.38Å; L483-L508 HydrophobicContact CD1-CD1 4.36Å; L504-L508 HydrophobicContact CD1-CD1 3.89Å; L504-L508 HydrophobicContact CD1-CG 4.34Å; L504-L508 HydrophobicContact CG-CD1 4.12Å; L504-L508 WeakPolarHBondContact O-CG 3.44Å; L504-L508 PolarHBondContact O-N 2.84Å; Q506-L508 PolarHBondContact O-N 3.3Å; L508-D510 PolarHBondContact O-N 3.02Å; L508-S511 WeakPolarHBondContact O-CB 3.36Å; L508-S511 PolarHBondContact O-N 3.36Å; L508-F512 HydrophobicContact CB-CD2 4.06Å; L508-F512 HydrophobicContact CB-CE2 3.89Å; L508-F512 HydrophobicContact CD1-CE2 4.22Å; L508-F512 WeakPolarHBondContact O-CD2 3.48Å; L508-F512 PolarHBondContact O-N 3.13Å
509R87Confident85.9Confident46 Ų4640.4 Ų40.417%0.17420%0.2CC..Hα-helixtrans-47.7-56.3-176.6-173.9-174.9-166.6-91.8-4.2113Q387 V389 F499 T505 Q506 S511 F512 I513Q387-R509 VanDerWaalsContact CB-NH1 3.33Å; Q387-R509 PolarHBondContact O-NH1 3.42Å; V389-R509 HydrophobicContact CG2-CB 4.21Å; F499-R509 HydrophobicContact CB-CB 4.4Å; F499-R509 HydrophobicContact CB-CG 4.23Å; F499-R509 HydrophobicContact CD1-CB 4.22Å; F499-R509 HydrophobicContact CD1-CG 4.36Å; F499-R509 HydrophobicContact CD2-CG 4.07Å; F499-R509 HydrophobicContact CG-CB 4.24Å; F499-R509 HydrophobicContact CG-CG 3.97Å; T505-R509 PolarHBondContact O-N 2.84Å; Q506-R509 VanDerWaalsContact O-CB 3.31Å; Q506-R509 WeakPolarHBondContact O-CB 3.5Å; Q506-R509 PolarHBondContact O-N 3.17Å; R509-S511 PolarHBondContact O-N 3.1Å; R509-S511 VanDerWaalsContact O-N 3.11Å; R509-F512 PolarHBondContact O-N 3.18Å; R509-F512 VanDerWaalsContact O-N 3.15Å; R509-I513 HydrophobicContact CG-CD1 3.6Å; R509-I513 HydrophobicContact CG-CG1 4.35Å; R509-I513 PolarHBondContact O-N 2.64Å; R509-I513 VanDerWaalsContact O-N 3.09Å
510D80.2Confident86.2Confident20 Ų2040 Ų4011%0.10720%0.199CC..Hα-helixtrans-51.9-35178.8-65.917.4000112.8M301 Q388 K447 L508 G514M301-D510 HydrophobicContact CE-CB 3.94Å; Q388-D510 PolarHBondContact NE2-OD2 3.32Å; K447-D510 IonicContact NZ-OD2 2.67Å; L508-D510 PolarHBondContact O-N 3.02Å; D510-G514 PolarHBondContact O-N 2.9Å
511S78.1Confident86.4Confident2 Ų232.4 Ų32.41%0.01417%0.17CC..Hα-helixtrans-80.5-18.2-172.3-46.40000113.2T303 L508 R509 S517 T519T303-S511 VanDerWaalsContact OG1-CB 3.22Å; T303-S511 WeakPolarHBondContact OG1-CB 3.48Å; T303-S511 PolarHBondContact OG1-OG 2.81Å; T303-S511 VanDerWaalsContact OG1-OG 3.13Å; L508-S511 WeakPolarHBondContact O-CB 3.36Å; L508-S511 PolarHBondContact O-N 3.36Å; R509-S511 PolarHBondContact O-N 3.1Å; R509-S511 VanDerWaalsContact O-N 3.11Å; S511-S517 VanDerWaalsContact C-OG 3.26Å; S511-S517 WeakPolarHBondContact CA-OG 3.25Å; S511-S517 PolarHBondContact O-OG 2.91Å; S511-T519 PolarHBondContact O-OG1 2.86Å
512F78.9Confident86.8Confident18 Ų1829.8 Ų29.88%0.07915%0.148CC..Hα-helixtrans-103.7-36177-74.4-72.4000113.1F305 L483 I487 L490 F499 L508 R509 T519F305-F512 HydrophobicContact CE1-CZ 4.17Å; L483-F512 HydrophobicContact CD1-CE2 3.92Å; L483-F512 HydrophobicContact CD1-CZ 4.05Å; I487-F512 HydrophobicContact CD1-CE1 4.3Å; I487-F512 HydrophobicContact CD1-CZ 4.24Å; I487-F512 HydrophobicContact CG1-CE1 4.09Å; I487-F512 HydrophobicContact CG1-CZ 4.19Å; L490-F512 HydrophobicContact CD1-CB 3.77Å; L490-F512 HydrophobicContact CD1-CD1 4.12Å; L490-F512 HydrophobicContact CD1-CG 4.17Å; F499-F512 HydrophobicContact CE1-CB 3.89Å; F499-F512 HydrophobicContact CE1-CD2 4.07Å; F499-F512 HydrophobicContact CE1-CG 4.31Å; F499-F512 HydrophobicContact CZ-CB 3.79Å; L508-F512 HydrophobicContact CB-CD2 4.06Å; L508-F512 HydrophobicContact CB-CE2 3.89Å; L508-F512 HydrophobicContact CD1-CE2 4.22Å; L508-F512 WeakPolarHBondContact O-CD2 3.48Å; L508-F512 PolarHBondContact O-N 3.13Å; R509-F512 PolarHBondContact O-N 3.18Å; R509-F512 VanDerWaalsContact O-N 3.15Å; F512-T519 HydrophobicContact CE1-CG2 4.08Å; F512-T519 HydrophobicContact CZ-CG2 4.45Å
513I80.3Confident87.1Confident76 Ų7629.1 Ų29.139%0.3914%0.144SC..Hα-helixtrans-82.6-34.5-178.6-52.7179.6000111.9F499 R509 E515F499-I513 HydrophobicContact CD2-CD1 3.9Å; F499-I513 HydrophobicContact CD2-CG1 4.36Å; F499-I513 HydrophobicContact CE2-CD1 3.45Å; F499-I513 VanDerWaalsContact CE2-CD1 3.45Å; F499-I513 HydrophobicContact CE2-CG1 3.46Å; F499-I513 VanDerWaalsContact CE2-CG1 3.46Å; F499-I513 HydrophobicContact CZ-CD1 4.15Å; F499-I513 HydrophobicContact CZ-CG1 3.69Å; R509-I513 HydrophobicContact CG-CD1 3.6Å; R509-I513 HydrophobicContact CG-CG1 4.35Å; R509-I513 PolarHBondContact O-N 2.64Å; R509-I513 VanDerWaalsContact O-N 3.09Å; I513-E515 PolarHBondContact O-N 2.82Å
514G74.4Confident87.4Confident23 Ų2326 Ų2624%0.23713%0.13CC..  trans-52.7135.3-169.600000114.3R218 D510 S517R218-G514 PolarHBondContact NH2-O 3.5Å; D510-G514 PolarHBondContact O-N 2.9Å; G514-S517 WeakPolarHBondContact O-CB 3.49Å; G514-S517 PolarHBondContact O-N 3.45Å
515E75.4Confident87.7Confident195 Ų19526 Ų2691%0.91113%0.13SC*.THydrogen-bonded Turntrans-57.7-55.9-178.9-62.8175166.700110.9I513 S517I513-E515 PolarHBondContact O-N 2.82Å; E515-S517 VanDerWaalsContact C-N 3.3Å; E515-S517 PolarHBondContact O-N 3.35Å
516N85Confident88Confident70 Ų7026 Ų2637%0.37413%0.13SC..THydrogen-bonded Turntrans-89.664.9168.6-169.44.8000110.2E298 G300 M301E298-N516 PolarHBondContact O-ND2 3.37Å; E298-N516 VanDerWaalsContact O-ND2 3.16Å; G300-N516 CarbonylContact C-O 3.54Å; G300-N516 VanDerWaalsContact CA-CG 3.46Å; G300-N516 WeakPolarHBondContact CA-ND2 3.33Å; G300-N516 WeakPolarHBondContact CA-O 3.36Å; G300-N516 PolarHBondContact N-ND2 2.84Å; M301-N516 PolarHBondContact N-O 3.29Å
517S87.1Confident88.3Confident4 Ų424.5 Ų24.53%0.02812%0.123CC..EExtended strand (participates in β ladder)trans-128.4130.8174.5-163.10000112.3R218 M301 S511 G514 E515R218-S517 WeakPolarHBondContact CG-O 3.45Å; R218-S517 PolarHBondContact NE-O 2.67Å; M301-S517 WeakPolarHBondContact O-CA 3.35Å; M301-S517 PolarHBondContact O-OG 2.96Å; S511-S517 VanDerWaalsContact C-OG 3.26Å; S511-S517 WeakPolarHBondContact CA-OG 3.25Å; S511-S517 PolarHBondContact O-OG 2.91Å; G514-S517 WeakPolarHBondContact O-CB 3.49Å; G514-S517 PolarHBondContact O-N 3.45Å; E515-S517 VanDerWaalsContact C-N 3.3Å; E515-S517 PolarHBondContact O-N 3.35Å
518R89.7Confident88.7Confident41 Ų4124 Ų2416%0.15512%0.12CC..EExtended strand (participates in β ladder)trans-124.7137.3177.8-65.3178.670.6-179.2-0.3110.8E216 H217 R218 L292 T295 M301 A302 T303E216-R518 IonicContact OE1-CZ 2.74Å; E216-R518 IonicContact OE1-NH1 3.21Å; E216-R518 PolarHBondContact OE1-NH1 3.34Å; E216-R518 IonicContact OE1-NH2 3.75Å; E216-R518 PolarHBondContact OE1-NH2 3.24Å; E216-R518 IonicContact OE2-NH1 3.79Å; H217-R518 PolarHBondContact O-NE 3.08Å; H217-R518 VanDerWaalsContact O-NE 3.12Å; H217-R518 PolarHBondContact O-NH2 2.93Å; R218-R518 WeakPolarHBondContact O-CA 3.39Å; L292-R518 HydrophobicContact CD2-CB 3.51Å; T295-R518 HydrophobicContact CG2-CB 4.35Å; T295-R518 HydrophobicContact CG2-CG 4.32Å; M301-R518 PolarHBondContact O-N 3.1Å; A302-R518 WeakPolarHBondContact CA-O 3.5Å; T303-R518 PolarHBondContact N-O 2.94Å
519T90.6Very high89.1Confident5 Ų526 Ų263%0.03113%0.13CC..EExtended strand (participates in β ladder)trans-127.8138.5-174.5-69.70000111.1R218 I219 C220 T303 F305 S511 F512R218-T519 PolarHBondContact O-N 2.96Å; I219-T519 CarbonylContact C-O 3.59Å; I219-T519 WeakPolarHBondContact CA-O 3.37Å; C220-T519 PolarHBondContact N-O 2.83Å; T303-T519 HydrophobicContact CG2-CG2 4.46Å; T303-T519 CarbonylContact O-C 3.24Å; T303-T519 VanDerWaalsContact O-CA 3.27Å; T303-T519 WeakPolarHBondContact O-CA 3.24Å; F305-T519 HydrophobicContact CD1-CG2 4.18Å; F305-T519 HydrophobicContact CE1-CG2 3.66Å; S511-T519 PolarHBondContact O-OG1 2.86Å; F512-T519 HydrophobicContact CE1-CG2 4.08Å; F512-T519 HydrophobicContact CZ-CG2 4.45Å
520C93.6Very high89.3Confident1 Ų128.5 Ų28.51%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-118.3136.9168.2-174.70000110.8C220 T288 L292 T303 C304 F305C220-C520 HydrophobicContact CB-CB 4.39Å; C220-C520 CarbonylContact O-C 3.57Å; C220-C520 VanDerWaalsContact O-CA 3.31Å; C220-C520 WeakPolarHBondContact O-CA 3.14Å; T288-C520 VanDerWaalsContact CB-SG 3.59Å; L292-C520 HydrophobicContact CD1-CB 3.72Å; T303-C520 PolarHBondContact O-N 2.94Å; C304-C520 VanDerWaalsContact CA-O 3.31Å; C304-C520 WeakPolarHBondContact CA-O 3.32Å; C304-C520 HydrophobicContact CB-CB 4.37Å; F305-C520 PolarHBondContact N-O 3.16Å
521M94.8Very high89.9Confident0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-111.5128.8171.1174.9174.9174.800109.4C220 V221 C222 F305 Y307 A523 Y541 A542 V545C220-M521 PolarHBondContact O-N 2.94Å; V221-M521 HydrophobicContact CG1-CB 4.38Å; V221-M521 HydrophobicContact CG1-CG 4.4Å; V221-M521 HydrophobicContact CG1-SD 4.21Å; V221-M521 HydrophobicContact CG2-CB 4.42Å; C222-M521 PolarHBondContact N-O 2.94Å; F305-M521 HydrophobicContact CD2-CB 4.42Å; F305-M521 HydrophobicContact CD2-CG 4.12Å; F305-M521 HydrophobicContact CE1-CB 4.16Å; F305-M521 HydrophobicContact CE2-CB 3.8Å; F305-M521 HydrophobicContact CE2-CE 4.44Å; F305-M521 HydrophobicContact CE2-CG 3.46Å; F305-M521 VanDerWaalsContact CE2-CG 3.46Å; F305-M521 HydrophobicContact CE2-SD 3.79Å; F305-M521 HydrophobicContact CZ-CB 3.65Å; F305-M521 HydrophobicContact CZ-CG 3.8Å; F305-M521 HydrophobicContact CZ-SD 4Å; Y307-M521 HydrophobicContact CD1-CE 3.64Å; Y307-M521 HydrophobicContact CE1-CE 4.43Å; Y307-M521 HydrophobicContact CG-CE 3.94Å; M521-A523 HydrophobicContact CE-CB 4.19Å; M521-Y541 HydrophobicContact CE-CD1 3.52Å; M521-Y541 HydrophobicContact CE-CE1 3.63Å; M521-Y541 HydrophobicContact SD-CE1 4.3Å; M521-A542 HydrophobicContact CE-CB 3.8Å; M521-A542 HydrophobicContact SD-CB 4.46Å; M521-V545 HydrophobicContact SD-CB 3.87Å; M521-V545 HydrophobicContact SD-CG1 3.91Å; M521-V545 HydrophobicContact SD-CG2 3.78Å
522I97.9Very high90.7Very high0 Ų028.5 Ų28.50%015%0.152CC..EExtended strand (participates in β ladder)trans-112.798.8173.5-50.1178.8000108.3R224 V284 T288 F305 A306 Y307 T317 I333 T524R224-I522 HydrophobicContact CB-CG2 4.42Å; V284-I522 HydrophobicContact CG1-CD1 4.09Å; V284-I522 HydrophobicContact CG1-CG2 4.42Å; T288-I522 HydrophobicContact CG2-CD1 3.83Å; T288-I522 HydrophobicContact CG2-CG1 3.83Å; F305-I522 PolarHBondContact O-N 2.85Å; A306-I522 WeakPolarHBondContact CA-O 3.38Å; Y307-I522 PolarHBondContact N-O 2.62Å; T317-I522 HydrophobicContact CG2-CD1 4.3Å; T317-I522 HydrophobicContact CG2-CG2 4.49Å; I333-I522 HydrophobicContact CD1-CD1 3.59Å; I522-T524 HydrophobicContact CG2-CG2 4.28Å; I522-T524 PolarHBondContact O-N 2.91Å
523A97.8Very high91.3Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-78.8102.9173.400000110.5C222 V223 R224 Y307 M521 T538 A542C222-A523 PolarHBondContact O-N 3.27Å; V223-A523 CarbonylContact C-O 3.56Å; V223-A523 VanDerWaalsContact CA-O 3.29Å; V223-A523 WeakPolarHBondContact CA-O 3.46Å; V223-A523 HydrophobicContact CG2-CB 3.99Å; R224-A523 PolarHBondContact N-O 2.89Å; Y307-A523 CarbonylContact O-C 3.58Å; Y307-A523 WeakPolarHBondContact O-CA 3.45Å; M521-A523 HydrophobicContact CE-CB 4.19Å; A523-T538 HydrophobicContact CB-CG2 4.06Å; A523-A542 HydrophobicContact CB-CB 3.91Å
524T97.9Very high91.9Very high1 Ų129.6 Ų29.61%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-86.3131.7175.155.80000110.4R224 Y307 S312 K314 I522R224-T524 HydrophobicContact CB-CG2 4.36Å; R224-T524 WeakPolarHBondContact O-CA 3.41Å; Y307-T524 PolarHBondContact O-N 2.94Å; Y307-T524 PolarHBondContact O-OG1 3.34Å; S312-T524 WeakPolarHBondContact CB-O 3.3Å; S312-T524 PolarHBondContact OG-O 3.29Å; S312-T524 PolarHBondContact OG-OG1 3.36Å; K314-T524 VanDerWaalsContact CG-OG1 3.22Å; K314-T524 WeakPolarHBondContact CG-OG1 3.39Å; K314-T524 PolarHBondContact N-OG1 2.93Å; I522-T524 HydrophobicContact CG2-CG2 4.28Å; I522-T524 PolarHBondContact O-N 2.91Å
525I98.1Very high92.9Very high1 Ų128.5 Ų28.51%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-126.9146.7-175.760.7173.5000112.6V223 R224 K225 R226 I241 V249 T535 T538 L539V223-I525 HydrophobicContact CG1-CD1 3.64Å; V223-I525 HydrophobicContact CG1-CG1 4Å; V223-I525 HydrophobicContact CG1-CG2 4.45Å; R224-I525 PolarHBondContact O-N 2.91Å; K225-I525 HydrophobicContact CB-CG1 4.44Å; R226-I525 PolarHBondContact N-O 3.28Å; I241-I525 HydrophobicContact CG2-CD1 3.71Å; V249-I525 HydrophobicContact CG1-CD1 4.13Å; I525-T535 HydrophobicContact CB-CG2 3.79Å; I525-T535 HydrophobicContact CD1-CG2 4.06Å; I525-T535 HydrophobicContact CG1-CG2 4.46Å; I525-T535 HydrophobicContact CG2-CG2 3.95Å; I525-T538 HydrophobicContact CG2-CG2 3.84Å; I525-L539 HydrophobicContact CD1-CD1 4.48Å; I525-L539 HydrophobicContact CD1-CD2 4.37Å; I525-L539 HydrophobicContact CG2-CD2 4.28Å; I525-L539 HydrophobicContact CG2-CG 4.31Å
526S96.8Very high93.9Very high0 Ų019.2 Ų19.20%010%0.102CC..  trans-85.5139.3173.1-68.40000109.9R226 Q309 S531 T535R226-S526 PolarHBondContact NH2-OG 3.06Å; Q309-S526 PolarHBondContact NE2-OG 3.47Å; Q309-S526 VanDerWaalsContact NE2-OG 3.13Å; Q309-S526 PolarHBondContact OE1-OG 3.38Å; S526-S531 VanDerWaalsContact CB-CB 3.48Å; S526-T535 PolarHBondContact O-OG1 3.41Å; S526-T535 VanDerWaalsContact O-OG1 3.11Å
527P97.2Very high94.3Very high0 Ų018.8 Ų18.80%010%0.1CC..  trans-81-23.4-178.832.7-37.6000114.2K225 R226 L228 D239 V240K225-P527 HydrophobicContact CG-CB 4.4Å; R226-P527 WeakPolarHBondContact O-CD 3.4Å; R226-P527 VanDerWaalsContact O-CG 3.25Å; R226-P527 WeakPolarHBondContact O-CG 3.39Å; L228-P527 HydrophobicContact CB-CG 4.46Å; L228-P527 HydrophobicContact CD2-CB 4.4Å; L228-P527 HydrophobicContact CD2-CG 3.75Å; L228-P527 HydrophobicContact CG-CB 4.41Å; L228-P527 HydrophobicContact CG-CG 3.83Å; D239-P527 WeakPolarHBondContact CA-O 3.47Å; D239-P527 WeakPolarHBondContact OD1-CB 2.83Å; V240-P527 WeakPolarHBondContact CG2-O 3.18Å; V240-P527 PolarHBondContact N-O 2.67Å
528G95.9Very high94.6Very high0 Ų018.6 Ų18.60%010%0.098CC..BIsolated β-bridgetrans-66.9143.1-171.800000113.7D237 L238 T530 S531D237-G528 WeakPolarHBondContact OD2-CA 3Å; L238-G528 CarbonylContact O-C 3.55Å; L238-G528 WeakPolarHBondContact O-CA 3.19Å; G528-T530 PolarHBondContact O-N 2.81Å; G528-S531 CarbonylContact O-C 3.53Å; G528-S531 WeakPolarHBondContact O-CA 3.46Å; G528-S531 WeakPolarHBondContact O-CB 3.39Å; G528-S531 PolarHBondContact O-N 3.09Å
529M94.6Very high95Very high43 Ų4316.7 Ų16.721%0.2129%0.091CC..G310 helixtrans-57-36.9176.8-169.617871.500111.4N189 I192 D237 L238 V240 P254 S531 C532N189-M529 HydrophobicContact CB-CE 4.37Å; I192-M529 HydrophobicContact CD1-SD 4.38Å; I192-M529 HydrophobicContact CG2-SD 4.29Å; D237-M529 VanDerWaalsContact OD1-CB 3.3Å; D237-M529 WeakPolarHBondContact OD1-CB 3.46Å; D237-M529 PolarHBondContact OD1-N 3.48Å; L238-M529 HydrophobicContact CB-CB 4.27Å; L238-M529 HydrophobicContact CD1-SD 4.25Å; L238-M529 PolarHBondContact O-N 3.05Å; V240-M529 HydrophobicContact CG1-CB 3.73Å; V240-M529 HydrophobicContact CG1-CG 3.86Å; P254-M529 HydrophobicContact CB-SD 4.49Å; P254-M529 HydrophobicContact CG-CG 3.78Å; P254-M529 HydrophobicContact CG-SD 3.73Å; M529-S531 PolarHBondContact O-N 2.89Å; M529-S531 VanDerWaalsContact O-N 3.14Å; M529-C532 VanDerWaalsContact O-CB 3.23Å; M529-C532 WeakPolarHBondContact O-CB 3.4Å; M529-C532 PolarHBondContact O-N 2.87Å; M529-C532 VanDerWaalsContact O-N 3.08Å
530T91.4Very high95.1Very high98 Ų9820.5 Ų20.560%0.60111%0.105SC*.G310 helixtrans-56.9-25.2172.959.80000113.9D237 G528D237-T530 PolarHBondContact OD1-N 2.99Å; D237-T530 WeakPolarHBondContact OD2-CB 3.35Å; D237-T530 WeakPolarHBondContact OD2-CG2 3.24Å; D237-T530 PolarHBondContact OD2-OG1 3.22Å; G528-T530 PolarHBondContact O-N 2.81Å
531S92.9Very high94.8Very high13 Ų1321 Ų219%0.09111%0.107CC..G310 helixtrans-104.213.3-179.8-68.20000113.6Q309 S526 G528 M529 E533 N534 T535Q309-S531 PolarHBondContact NE2-OG 2.82Å; Q309-S531 VanDerWaalsContact NE2-OG 3.11Å; S526-S531 VanDerWaalsContact CB-CB 3.48Å; G528-S531 CarbonylContact O-C 3.53Å; G528-S531 WeakPolarHBondContact O-CA 3.46Å; G528-S531 WeakPolarHBondContact O-CB 3.39Å; G528-S531 PolarHBondContact O-N 3.09Å; M529-S531 PolarHBondContact O-N 2.89Å; M529-S531 VanDerWaalsContact O-N 3.14Å; S531-E533 PolarHBondContact O-N 3.39Å; S531-N534 PolarHBondContact O-N 3.16Å; S531-T535 VanDerWaalsContact O-CB 3.27Å; S531-T535 WeakPolarHBondContact O-CB 3.12Å; S531-T535 PolarHBondContact O-N 2.88Å; S531-T535 PolarHBondContact O-OG1 2.94Å
532C94.5Very high94.7Very high10 Ų1021 Ų217%0.06811%0.107CC..Hα-helixtrans-61.3-42.4-174.4-171.30000112.5V240 M529 T535 L536V240-C532 HydrophobicContact CG2-CB 4.3Å; M529-C532 VanDerWaalsContact O-CB 3.23Å; M529-C532 WeakPolarHBondContact O-CB 3.4Å; M529-C532 PolarHBondContact O-N 2.87Å; M529-C532 VanDerWaalsContact O-N 3.08Å; C532-T535 PolarHBondContact O-N 2.95Å; C532-L536 WeakPolarHBondContact O-CB 3.22Å; C532-L536 WeakPolarHBondContact O-CG 3.36Å; C532-L536 PolarHBondContact O-N 3.2Å
533E92.4Very high94.3Very high90 Ų9023.4 Ų23.442%0.42112%0.12SC..Hα-helixtrans-66-48.7179.5-158.1-146.411700111.9R458 S531 T535 L536 N537R458-E533 VanDerWaalsContact CD-OE1 3.23Å; R458-E533 WeakPolarHBondContact CD-OE1 3.37Å; R458-E533 IonicContact CZ-OE1 2.75Å; R458-E533 IonicContact NE-OE1 2.69Å; R458-E533 IonicContact NH1-OE1 2.72Å; R458-E533 PolarHBondContact NH1-OE1 3.13Å; R458-E533 IonicContact NH1-OE2 2.66Å; R458-E533 PolarHBondContact NH1-OE2 2.83Å; S531-E533 PolarHBondContact O-N 3.39Å; E533-T535 PolarHBondContact O-N 2.88Å; E533-L536 PolarHBondContact O-N 3Å; E533-N537 WeakPolarHBondContact O-CB 3.42Å; E533-N537 VanDerWaalsContact O-CG 3.31Å; E533-N537 PolarHBondContact O-N 3Å; E533-N537 PolarHBondContact O-ND2 3.05Å; E533-N537 PolarHBondContact OE1-ND2 2.73Å
534N92.2Very high93.6Very high26 Ų2629.2 Ų29.214%0.13914%0.142CC..Hα-helixtrans-62.2-34.3178.3-51.487.7000111.7Q309 D461 S531 T538Q309-N534 HydrophobicContact CB-CB 4.12Å; D461-N534 PolarHBondContact OD2-ND2 2.82Å; S531-N534 PolarHBondContact O-N 3.16Å; N534-T538 WeakPolarHBondContact O-CB 3.04Å; N534-T538 PolarHBondContact O-N 3.4Å; N534-T538 PolarHBondContact O-OG1 3.42Å
535T95.9Very high92.8Very high0 Ų029.4 Ų29.40%014%0.142CC..Hα-helixtrans-69.1-46.5174.6-680000111.8I241 I525 S526 S531 C532 E533 N537 T538 L539I241-T535 HydrophobicContact CD1-CG2 3.62Å; I241-T535 HydrophobicContact CG1-CG2 4.35Å; I525-T535 HydrophobicContact CB-CG2 3.79Å; I525-T535 HydrophobicContact CD1-CG2 4.06Å; I525-T535 HydrophobicContact CG1-CG2 4.46Å; I525-T535 HydrophobicContact CG2-CG2 3.95Å; S526-T535 PolarHBondContact O-OG1 3.41Å; S526-T535 VanDerWaalsContact O-OG1 3.11Å; S531-T535 VanDerWaalsContact O-CB 3.27Å; S531-T535 WeakPolarHBondContact O-CB 3.12Å; S531-T535 PolarHBondContact O-N 2.88Å; S531-T535 PolarHBondContact O-OG1 2.94Å; C532-T535 PolarHBondContact O-N 2.95Å; E533-T535 PolarHBondContact O-N 2.88Å; T535-N537 VanDerWaalsContact C-N 3.34Å; T535-N537 PolarHBondContact O-N 2.89Å; T535-T538 WeakPolarHBondContact O-CB 3.48Å; T535-T538 PolarHBondContact O-N 3.17Å; T535-T538 VanDerWaalsContact O-N 3.14Å; T535-L539 HydrophobicContact CG2-CD1 3.82Å; T535-L539 HydrophobicContact CG2-CG 4.39Å; T535-L539 VanDerWaalsContact O-CG 3.32Å; T535-L539 WeakPolarHBondContact O-CG 3.44Å; T535-L539 PolarHBondContact O-N 3.02Å
536L95.9Very high91.9Very high1 Ų132 Ų321%0.00515%0.154CC..Hα-helixtrans-60.2-42.1173.3-76.6170.1000112.1V251 E253 Q267 F269 C532 E533 T538 L539 R540V251-L536 HydrophobicContact CB-CD2 4.01Å; V251-L536 HydrophobicContact CG1-CD2 3.88Å; V251-L536 HydrophobicContact CG1-CG 4.08Å; V251-L536 HydrophobicContact CG2-CD2 3.96Å; E253-L536 HydrophobicContact CB-CD1 4.35Å; E253-L536 VanDerWaalsContact CD-CD1 3.47Å; E253-L536 HydrophobicContact CG-CD1 3.93Å; E253-L536 WeakPolarHBondContact OE1-CD1 3.45Å; Q267-L536 HydrophobicContact CB-CD2 4.41Å; F269-L536 HydrophobicContact CE2-CD2 3.92Å; F269-L536 HydrophobicContact CZ-CD2 3.95Å; C532-L536 WeakPolarHBondContact O-CB 3.22Å; C532-L536 WeakPolarHBondContact O-CG 3.36Å; C532-L536 PolarHBondContact O-N 3.2Å; E533-L536 PolarHBondContact O-N 3Å; L536-T538 VanDerWaalsContact C-N 3.3Å; L536-T538 PolarHBondContact O-N 3.28Å; L536-L539 PolarHBondContact O-N 3.23Å; L536-R540 WeakPolarHBondContact O-CB 3.37Å; L536-R540 WeakPolarHBondContact O-CD 3.43Å; L536-R540 WeakPolarHBondContact O-CG 3.48Å; L536-R540 PolarHBondContact O-N 3.06Å
537N92.6Very high90.7Very high61 Ų6137.1 Ų37.133%0.32618%0.178SC..Hα-helixtrans-62.1-38.7174.9-73.3-33.3000111.8E533 T535 Y541E533-N537 WeakPolarHBondContact O-CB 3.42Å; E533-N537 VanDerWaalsContact O-CG 3.31Å; E533-N537 PolarHBondContact O-N 3Å; E533-N537 PolarHBondContact O-ND2 3.05Å; E533-N537 PolarHBondContact OE1-ND2 2.73Å; T535-N537 VanDerWaalsContact C-N 3.34Å; T535-N537 PolarHBondContact O-N 2.89Å; N537-Y541 WeakPolarHBondContact O-CB 3.4Å; N537-Y541 PolarHBondContact O-N 2.72Å; N537-Y541 VanDerWaalsContact O-N 3.07Å
538T95Very high89.1Confident0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-66.7-45.9175.6-61.10000112.1Y307 N456 A523 I525 N534 T535 L536 Y541 A542Y307-T538 HydrophobicContact CD1-CG2 3.97Å; Y307-T538 HydrophobicContact CE1-CG2 4Å; N456-T538 PolarHBondContact ND2-OG1 3.49Å; A523-T538 HydrophobicContact CB-CG2 4.06Å; I525-T538 HydrophobicContact CG2-CG2 3.84Å; N534-T538 WeakPolarHBondContact O-CB 3.04Å; N534-T538 PolarHBondContact O-N 3.4Å; N534-T538 PolarHBondContact O-OG1 3.42Å; T535-T538 WeakPolarHBondContact O-CB 3.48Å; T535-T538 PolarHBondContact O-N 3.17Å; T535-T538 VanDerWaalsContact O-N 3.14Å; L536-T538 VanDerWaalsContact C-N 3.3Å; L536-T538 PolarHBondContact O-N 3.28Å; T538-Y541 WeakPolarHBondContact O-CB 3.47Å; T538-Y541 PolarHBondContact O-N 3.42Å; T538-A542 PolarHBondContact O-N 2.87Å
539L96.3Very high87Confident0 Ų040.7 Ų40.70%020%0.202CC..Hα-helixtrans-68.4-43.4179-67.4168.9000112.1V223 V249 V251 F269 F271 I525 T535 L536 Y541 A542 N543V223-L539 HydrophobicContact CB-CD2 4.43Å; V223-L539 HydrophobicContact CG1-CD2 3.93Å; V223-L539 HydrophobicContact CG2-CD2 3.62Å; V249-L539 HydrophobicContact CG1-CD1 4.1Å; V249-L539 HydrophobicContact CG1-CD2 4.09Å; V251-L539 HydrophobicContact CG2-CD1 3.4Å; V251-L539 VanDerWaalsContact CG2-CD1 3.4Å; F269-L539 HydrophobicContact CD1-CB 4.24Å; F269-L539 HydrophobicContact CD2-CB 4.18Å; F269-L539 HydrophobicContact CD2-CD1 3.98Å; F269-L539 HydrophobicContact CE1-CB 4.2Å; F269-L539 HydrophobicContact CE2-CB 4.14Å; F269-L539 HydrophobicContact CE2-CD1 4.03Å; F269-L539 HydrophobicContact CG-CB 4.24Å; F269-L539 HydrophobicContact CZ-CB 4.15Å; F271-L539 HydrophobicContact CE2-CD2 3.76Å; F271-L539 HydrophobicContact CZ-CD2 3.9Å; I525-L539 HydrophobicContact CD1-CD1 4.48Å; I525-L539 HydrophobicContact CD1-CD2 4.37Å; I525-L539 HydrophobicContact CG2-CD2 4.28Å; I525-L539 HydrophobicContact CG2-CG 4.31Å; T535-L539 HydrophobicContact CG2-CD1 3.82Å; T535-L539 HydrophobicContact CG2-CG 4.39Å; T535-L539 VanDerWaalsContact O-CG 3.32Å; T535-L539 WeakPolarHBondContact O-CG 3.44Å; T535-L539 PolarHBondContact O-N 3.02Å; L536-L539 PolarHBondContact O-N 3.23Å; L539-Y541 PolarHBondContact O-N 2.9Å; L539-A542 PolarHBondContact O-N 2.96Å; L539-N543 WeakPolarHBondContact O-CB 3.27Å; L539-N543 PolarHBondContact O-N 3.33Å
540R92.6Very high85Confident85 Ų8543.4 Ų43.432%0.32122%0.216SC..Hα-helixtrans-66-18.9173.6-67.3165.9179.4170-2.7112.7Q267 F269 L536 R544Q267-R540 VanDerWaalsContact CD-NH2 3.34Å; F269-R540 HydrophobicContact CE1-CG 3.92Å; F269-R540 HydrophobicContact CZ-CG 4.1Å; L536-R540 WeakPolarHBondContact O-CB 3.37Å; L536-R540 WeakPolarHBondContact O-CD 3.43Å; L536-R540 WeakPolarHBondContact O-CG 3.48Å; L536-R540 PolarHBondContact O-N 3.06Å; R540-R544 WeakPolarHBondContact O-CD 3.42Å; R540-R544 WeakPolarHBondContact O-CG 3.29Å; R540-R544 PolarHBondContact O-NH1 3.42Å
541Y88.1Confident82.6Confident13 Ų1341.2 Ų41.25%0.05121%0.205CC..Hα-helixtrans-80.6-51.1168177.5-112000111Y307 K484 M521 N537 T538 L539 N543 R544 V545Y307-Y541 AromaticContact CD1-CD1 3.64Å; Y307-Y541 HydrophobicContact CD1-CD1 3.64Å; Y307-Y541 HydrophobicContact CD1-CE1 4.04Å; Y307-Y541 HydrophobicContact CD2-CD1 4.32Å; Y307-Y541 AromaticContact CD2-CE1 4Å; Y307-Y541 HydrophobicContact CD2-CE1 4Å; Y307-Y541 AromaticContact CE1-CD1 3.2Å; Y307-Y541 HydrophobicContact CE1-CD1 3.2Å; Y307-Y541 AromaticContact CE1-CE1 3.87Å; Y307-Y541 HydrophobicContact CE1-CE1 3.87Å; Y307-Y541 AromaticContact CE1-CG 3.97Å; Y307-Y541 HydrophobicContact CE1-CG 3.97Å; Y307-Y541 AromaticContact CE2-CD1 3.94Å; Y307-Y541 HydrophobicContact CE2-CD1 3.94Å; Y307-Y541 AromaticContact CE2-CE1 3.79Å; Y307-Y541 HydrophobicContact CE2-CE1 3.79Å; Y307-Y541 HydrophobicContact CG-CD1 4.18Å; Y307-Y541 HydrophobicContact CG-CE1 4.11Å; Y307-Y541 AromaticContact CZ-CD1 3.35Å; Y307-Y541 AromaticContact CZ-CE1 3.72Å; Y307-Y541 AromaticContact CZ-CG 3.99Å; K484-Y541 HydrophobicContact CB-CD2 4.33Å; K484-Y541 HydrophobicContact CB-CE2 3.57Å; K484-Y541 HydrophobicContact CD-CD2 4.34Å; K484-Y541 HydrophobicContact CD-CE2 4.38Å; K484-Y541 HydrophobicContact CG-CD2 4.15Å; K484-Y541 HydrophobicContact CG-CE2 3.79Å; M521-Y541 HydrophobicContact CE-CD1 3.52Å; M521-Y541 HydrophobicContact CE-CE1 3.63Å; M521-Y541 HydrophobicContact SD-CE1 4.3Å; N537-Y541 WeakPolarHBondContact O-CB 3.4Å; N537-Y541 PolarHBondContact O-N 2.72Å; N537-Y541 VanDerWaalsContact O-N 3.07Å; T538-Y541 WeakPolarHBondContact O-CB 3.47Å; T538-Y541 PolarHBondContact O-N 3.42Å; L539-Y541 PolarHBondContact O-N 2.9Å; Y541-N543 VanDerWaalsContact C-N 3.35Å; Y541-N543 PolarHBondContact O-N 3.24Å; Y541-R544 WeakPolarHBondContact O-CB 3.29Å; Y541-R544 PolarHBondContact O-N 3.24Å; Y541-V545 HydrophobicContact CE1-CG2 4.3Å; Y541-V545 HydrophobicContact CE2-CG2 4.38Å; Y541-V545 PolarHBondContact O-N 3.33Å
542A92.1Very high80.1Confident0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-58.5-41.2179.600000113V221 F271 M521 A523 T538 L539 R544 V545 K546V221-A542 HydrophobicContact CG1-CB 3.91Å; F271-A542 HydrophobicContact CD1-CB 4.43Å; F271-A542 HydrophobicContact CE1-CB 3.53Å; F271-A542 HydrophobicContact CZ-CB 4.06Å; M521-A542 HydrophobicContact CE-CB 3.8Å; M521-A542 HydrophobicContact SD-CB 4.46Å; A523-A542 HydrophobicContact CB-CB 3.91Å; T538-A542 PolarHBondContact O-N 2.87Å; L539-A542 PolarHBondContact O-N 2.96Å; A542-R544 VanDerWaalsContact C-N 3.29Å; A542-R544 PolarHBondContact O-N 2.73Å; A542-V545 WeakPolarHBondContact O-CA 3.44Å; A542-V545 WeakPolarHBondContact O-CB 3.47Å; A542-V545 PolarHBondContact O-N 3.12Å; A542-K546 PolarHBondContact O-N 3.27Å
543N89.8Confident77.5Confident50 Ų5049.2 Ų49.227%0.26726%0.259SS..Hα-helixtrans-57-44.6178.4-164.7100.4000111.5L539 Y541 V545 K546 E547L539-N543 WeakPolarHBondContact O-CB 3.27Å; L539-N543 PolarHBondContact O-N 3.33Å; Y541-N543 VanDerWaalsContact C-N 3.35Å; Y541-N543 PolarHBondContact O-N 3.24Å; N543-V545 PolarHBondContact O-N 3.17Å; N543-K546 PolarHBondContact O-N 2.75Å; N543-E547 PolarHBondContact ND2-OE1 2.94Å; N543-E547 PolarHBondContact O-N 2.75Å; N543-E547 VanDerWaalsContact O-N 3.08Å
544R83.4Confident75.1Confident122 Ų12249.6 Ų49.646%0.4626%0.264SS..Hα-helixtrans-62.7-32.2175.8-65.6174.8-179.7119.4-8.8112.1R540 Y541 A542 E547 F548R540-R544 WeakPolarHBondContact O-CD 3.42Å; R540-R544 WeakPolarHBondContact O-CG 3.29Å; R540-R544 PolarHBondContact O-NH1 3.42Å; Y541-R544 WeakPolarHBondContact O-CB 3.29Å; Y541-R544 PolarHBondContact O-N 3.24Å; A542-R544 VanDerWaalsContact C-N 3.29Å; A542-R544 PolarHBondContact O-N 2.73Å; R544-E547 WeakPolarHBondContact CA-OE1 3.47Å; R544-F548 VanDerWaalsContact O-CD2 3.24Å; R544-F548 WeakPolarHBondContact O-CD2 3.41Å; R544-F548 WeakPolarHBondContact O-CE1 3.36Å; R544-F548 WeakPolarHBondContact O-CE2 3.38Å; R544-F548 WeakPolarHBondContact O-CZ 3.49Å
545V81.9Confident72.5Confident4 Ų453.3 Ų53.32%0.02428%0.282CS..Hα-helixtrans-70.9-34.1174-1770000111.6I219 V221 I487 M521 Y541 A542 N543 F548I219-V545 HydrophobicContact CG2-CG1 4.03Å; V221-V545 HydrophobicContact CG2-CB 4.02Å; V221-V545 HydrophobicContact CG2-CG1 3.67Å; I487-V545 HydrophobicContact CD1-CG1 4.36Å; I487-V545 HydrophobicContact CD1-CG2 4Å; I487-V545 HydrophobicContact CG2-CG1 4.46Å; M521-V545 HydrophobicContact SD-CB 3.87Å; M521-V545 HydrophobicContact SD-CG1 3.91Å; M521-V545 HydrophobicContact SD-CG2 3.78Å; Y541-V545 HydrophobicContact CE1-CG2 4.3Å; Y541-V545 HydrophobicContact CE2-CG2 4.38Å; Y541-V545 PolarHBondContact O-N 3.33Å; A542-V545 WeakPolarHBondContact O-CA 3.44Å; A542-V545 WeakPolarHBondContact O-CB 3.47Å; A542-V545 PolarHBondContact O-N 3.12Å; N543-V545 PolarHBondContact O-N 3.17Å; V545-F548 WeakPolarHBondContact O-CD2 3.47Å; V545-F548 PolarHBondContact O-N 2.87Å
546K79.6Confident69.5Low55 Ų5559 Ų5924%0.23932%0.319CS..Hα-helixtrans-69.8-33175.8178.1164.8169.8138.90112.7V221 F271 D272 A542 N543 F548 G549V221-K546 HydrophobicContact CB-CB 4.12Å; V221-K546 HydrophobicContact CG2-CB 4.07Å; F271-K546 PolarHBondContact O-NZ 3.17Å; D272-K546 WeakPolarHBondContact OD1-CD 3.32Å; D272-K546 VanDerWaalsContact OD1-CE 3.3Å; D272-K546 WeakPolarHBondContact OD1-CE 3.37Å; D272-K546 IonicContact OD1-NZ 3.96Å; D272-K546 PolarHBondContact OD1-NZ 2.82Å; A542-K546 PolarHBondContact O-N 3.27Å; N543-K546 PolarHBondContact O-N 2.75Å; K546-F548 PolarHBondContact O-N 3Å; K546-G549 PolarHBondContact O-N 3.18Å
547E71.1Confident66.5Low108 Ų10867.6 Ų67.651%0.50536%0.357SS..THydrogen-bonded Turntrans-54.7-16.6174-70.6157.4-138.200113.4N543 R544N543-E547 PolarHBondContact ND2-OE1 2.94Å; N543-E547 PolarHBondContact O-N 2.75Å; N543-E547 VanDerWaalsContact O-N 3.08Å; R544-E547 WeakPolarHBondContact CA-OE1 3.47Å
548F62.5Low63.8Low45 Ų4570.5 Ų70.520%0.19738%0.382CS..THydrogen-bonded Turntrans-97.9-5.2179.2-42.3-42.1000114.6I219 I487 R544 V545 K546I219-F548 HydrophobicContact CD1-CB 4.12Å; I487-F548 HydrophobicContact CB-CD2 4.18Å; I487-F548 HydrophobicContact CB-CE2 3.83Å; I487-F548 HydrophobicContact CG2-CD2 3.22Å; I487-F548 HydrophobicContact CG2-CE2 3.4Å; I487-F548 VanDerWaalsContact CG2-CE2 3.4Å; I487-F548 HydrophobicContact CG2-CG 4.32Å; I487-F548 WeakPolarHBondContact O-CE2 3.37Å; R544-F548 VanDerWaalsContact O-CD2 3.24Å; R544-F548 WeakPolarHBondContact O-CD2 3.41Å; R544-F548 WeakPolarHBondContact O-CE1 3.36Å; R544-F548 WeakPolarHBondContact O-CE2 3.38Å; R544-F548 WeakPolarHBondContact O-CZ 3.49Å; V545-F548 WeakPolarHBondContact O-CD2 3.47Å; V545-F548 PolarHBondContact O-N 2.87Å; K546-F548 PolarHBondContact O-N 3Å
549G53.1Low60.8Low30 Ų3078.8 Ų78.831%0.30942%0.42SS..SBendtrans-81.3-17.4178.300000114.1K546K546-G549 PolarHBondContact O-N 3.18Å
550I52.4Low57.6Low101 Ų10182.7 Ų82.752%0.51846%0.461SS..SBendtrans-86.7122.6-176.1-54.9173.8000109.1D554I550-D554 HydrophobicContact CG2-CB 4.16Å
551S40.7Very low54.6Low51 Ų5182 Ų8236%0.35748%0.481SS..  trans-72.4147.9171.6178.40000110.2S553 D554S551-S553 VanDerWaalsContact CB-OG 3.23Å; S551-S553 WeakPolarHBondContact CB-OG 3.45Å; S551-S553 PolarHBondContact O-N 3.41Å; S551-S553 PolarHBondContact OG-N 3.24Å; S551-S553 PolarHBondContact OG-OG 3.47Å; S551-D554 WeakPolarHBondContact CB-OD2 3.44Å; S551-D554 PolarHBondContact N-OD2 2.64Å; S551-D554 PolarHBondContact O-N 2.69Å
552P39.7Very low51.8Low101 Ų10191.3 Ų91.366%0.65652%0.524SS*.THydrogen-bonded Turntrans-56.3-18.5172.4-26.135.6000114.7D554P552-D554 VanDerWaalsContact C-N 3.32Å
553S40.8Very low48.7Very low91 Ų9194.7 Ų94.764%0.63656%0.559SS**THydrogen-bonded Turntrans-70.4-22.5171.649.30000114.5S551S551-S553 VanDerWaalsContact CB-OG 3.23Å; S551-S553 WeakPolarHBondContact CB-OG 3.45Å; S551-S553 PolarHBondContact O-N 3.41Å; S551-S553 PolarHBondContact OG-N 3.24Å; S551-S553 PolarHBondContact OG-OG 3.47Å
554D40.8Very low45.7Very low98 Ų9898.5 Ų98.552%0.52459%0.59SS.*SBendtrans-102.44.6-165.2-45-20.3000111.7I550 S551 P552 P556I550-D554 HydrophobicContact CG2-CB 4.16Å; S551-D554 WeakPolarHBondContact CB-OD2 3.44Å; S551-D554 PolarHBondContact N-OD2 2.64Å; S551-D554 PolarHBondContact O-N 2.69Å; P552-D554 VanDerWaalsContact C-N 3.32Å; D554-P556 VanDerWaalsContact O-CD 3.3Å; D554-P556 WeakPolarHBondContact O-CD 3.46Å
555I37.4Very low43Very low103 Ų103103.6 Ų103.653%0.52861%0.609SS.*SBendtrans-76.5116.5176.6-55.7174.9000108.6F557I555-F557 PolarHBondContact O-N 3.15Å; I555-F557 VanDerWaalsContact O-N 3.09Å
556P34.1Very low40.5Very low119 Ų119109.5 Ų109.577%0.77365%0.647SS**  trans-66.9113.4178.4-2034000110.8D554 S558D554-P556 VanDerWaalsContact O-CD 3.3Å; D554-P556 WeakPolarHBondContact O-CD 3.46Å; P556-S558 PolarHBondContact O-N 3.06Å
557F33.5Very low37.9Very low183 Ų183111.8 Ų111.880%0.80366%0.662SS**  trans-66.797.7175.7-103.1-98.6000110.8I555 Q559I555-F557 PolarHBondContact O-N 3.15Å; I555-F557 VanDerWaalsContact O-N 3.09Å; F557-Q559 VanDerWaalsContact C-N 3.3Å; F557-Q559 PolarHBondContact O-N 3.17Å
558S35Very low35.8Very low122 Ų122114.9 Ų114.985%0.85368%0.676SS**  trans-78.275.6172.9-178.70000111.5P556P556-S558 PolarHBondContact O-N 3.06Å
559Q32.9Very low33.9Very low173 Ų173117.9 Ų117.981%0.80870%0.703SS**  trans-95.3127.3158.8-74-170-14.900109.5F557F557-Q559 VanDerWaalsContact C-N 3.3Å; F557-Q559 PolarHBondContact O-N 3.17Å
560G29.1Very low32.8Very low82 Ų82122.7 Ų122.785%0.84573%0.729SS**  trans-87.5156.1-174.800000114
561G28.2Very low31.6Very low72 Ų72123 Ų12374%0.74274%0.736SS**  trans-175.280.717800000115.7
562Q28.8Very low30.8Very low207 Ų207128.3 Ų128.397%0.96776%0.76SS**  trans55.5134.3154.9-54.6-178.36.200120.5
563G27.1Very low30.1Very low71 Ų71128.9 Ų128.973%0.73276%0.762SS**  trans145.5102.7153.800000117.7
564S27.4Very low29.3Very low130 Ų130135.1 Ų135.191%0.90978%0.778SS**  trans60.8105.9150.4-550000121.1
565R26.4Very low28.6Very low230 Ų230138.8 Ų138.887%0.86879%0.792SS**  trans-95.7159.8147.1-77.3-174.5172.6-174.6-1.4109.6
566P30.4Very low28Very low127 Ų127142.3 Ų142.383%0.82581%0.811SS**  -117.2140.285.234.9-32.7000111.7
567D24.5Very low27.5Very low103 Ų103144.3 Ų144.355%0.55182%0.815SS**  cis89.8104.446-173.722000113.4
568H27.9Very low27.1Very low173 Ų173142.6 Ų142.680%0.80181%0.814SS**  178.3106.1123.4-87-12.1000112.6
569S21.4Very low26.5Very low109 Ų109146.6 Ų146.676%0.76282%0.817SS**  trans-157.1127.5157.555.10000110.8T571S569-T571 PolarHBondContact O-N 3.49Å
570P31.4Very low26.2Very low131 Ų131142 Ų14285%0.85181%0.808SS**  trans-85.7117.6-174.831-33000113.5
571T25.4Very low26.2Very low107 Ų107142.5 Ų142.566%0.65681%0.805SS**  trans-5.6141.5147.9-15.40000119S569S569-T571 PolarHBondContact O-N 3.49Å
572N25.3Very low25.9Very low163 Ų163146.2 Ų146.287%0.87281%0.813SS**  -163.1115.9111.2-97.5-13.8000111.6
573T24Very low25.7Very low113 Ų113141.6 Ų141.669%0.69380%0.804SS**  trans-116.5152.8169.2330000109.4
574F25.4Very low25.9Very low221 Ų221144.3 Ų144.397%0.96981%0.808SS**  trans-116.5138.9156.9-97.8-88.6000107.9
575E24.1Very low25.6Very low176 Ų176143.5 Ų143.582%0.82280%0.803SS**  trans-97.8153.6-172.4-60.7165.6141.200111
576L25.8Very low25.5Very low176 Ų176143.9 Ų143.992%0.92180%0.804SS**  trans-157141.1148.1-127.3129.1000109.9
577D24.4Very low25.2Very low161 Ų161143.6 Ų143.686%0.86180%0.8SS**  trans-77.3157-166.3-72.1-61.7000115.3
578D24Very low25.3Very low147 Ų147148.3 Ų148.379%0.78682%0.815SS**  trans-98.9140.5164.7178.128000110.2
579F22.8Very low25Very low206 Ų206147.5 Ų147.590%0.90481%0.812SS**  trans-152126.5167.9-147.4-84.8000111.9
580A25.8Very low25.2Very low77 Ų77150.9 Ų150.964%0.63682%0.82SS**  trans-92.2140.7-16500000115.3
581A28.8Very low24.9Very low93 Ų93150.3 Ų150.377%0.76982%0.815SS**  trans50.6109.1146.500000120.7
582T22.3Very low24.9Very low149 Ų149151.9 Ų151.991%0.91482%0.824SS**  trans-160.1139.4133.5-3.10000112.5
583S24.4Very low24.9Very low111 Ų111151.5 Ų151.578%0.77682%0.822SS**  trans-81.1151.7163-41.50000109.4
584P31Very low25.2Very low127 Ų127151.1 Ų151.183%0.82582%0.821SS**  -148.2-172.578.740.4-21.8000115
585S23.1Very low25.2Very low114 Ų114148.1 Ų148.180%0.79782%0.816SS**  trans-76159.6178.350.40000114.5
586R24.3Very low25.3Very low238 Ų238149 Ų14990%0.89882%0.82SS**  166.9120.2118.3-171.8172.8-163.8170.84.1114.1
587V23.9Very low25.4Very low120 Ų120147.6 Ų147.673%0.72782%0.818SS**  trans6.3130.7153.6-172.50000119.4
588K25.1Very low25.6Very low202 Ų202148 Ų14888%0.87882%0.816SS**  trans-152.2133.9136.1-118.7176.6-176.8-177.20111.8
589E22.7Very low25.7Very low156 Ų156149.9 Ų149.973%0.72982%0.821SS**  trans-75.7157.1175.9-54.1110.9123.300112.7
590L24.7Very low25.8Very low180 Ų180143.9 Ų143.994%0.94282%0.817SS**  trans-132.2117.7149.2-88.5171000108.1
591T24.6Very low25.7Very low119 Ų119143.6 Ų143.673%0.7382%0.821SS**  trans-86.6142.6-178.538.40000111.9
592V26.5Very low25.6Very low141 Ų141150.8 Ų150.886%0.85583%0.828SS**  trans-139.5105160.8-177.10000107
593D25.8Very low26.1Very low154 Ų154149.3 Ų149.382%0.82482%0.822SS**  trans-78.7131.1176.9-93.9-53.8000111.1
594P30Very low26.1Very low105 Ų105149.5 Ų149.568%0.68281%0.814SS**  trans-92132173.834.4-30.7000111.4
595N25.3Very low25.8Very low159 Ų159150.7 Ų150.785%0.8581%0.812SS**  trans-167.5106.8152.9-111.1-44.7000113.7
596Q25.9Very low25.9Very low195 Ų195152.1 Ų152.191%0.91181%0.805SS**  trans-174.5117.4149.8-114.6166.888.400111.1
597V28.8Very low25.9Very low146 Ų146147.5 Ų147.589%0.88580%0.804SS**  trans179.8147.9132.5153.30000106.7
598M27.3Very low26Very low168 Ų168146.6 Ų146.683%0.82880%0.799SS**  trans-97.1139.4-172.1-7017158.400114.1
599E26.4Very low26Very low188 Ų188143.1 Ų143.188%0.87979%0.79SS**  trans19.4131.6134-161.5173.6-152.300120.8
600G25.3Very low26.3Very low80 Ų80144.7 Ų144.783%0.82580%0.797SS**  trans-175.491164.900000114
601G23.5Very low26.5Very low70 Ų70143.2 Ų143.272%0.72279%0.789SS**  trans-83.7154.6173.700000112.7
602R26.6Very low26.8Very low244 Ų244143.8 Ų143.892%0.92179%0.788SS**  165.8174.179.3-87.9-176.2179.4-1671.2108.5
603P32.6Very low27.1Very low119 Ų119145.1 Ų145.177%0.77379%0.788SS**  cis-127.8-178.1-25.535.7-17.8000113.2
604N24.4Very low27.3Very low115 Ų115144.6 Ų144.662%0.61579%0.785SS**  trans-76.6146.6176.7-175.718.8000113.6H606N604-H606 PolarHBondContact ND2-CD2 3.14Å; N604-H606 VanDerWaalsContact ND2-CD2 3.25Å; N604-H606 PolarHBondContact ND2-NE2 3.04Å; N604-H606 VanDerWaalsContact ND2-NE2 3.13Å
605I26.1Very low27.4Very low151 Ų151146.4 Ų146.477%0.77479%0.789SS**  trans-123.9120.4157.7-71.3179.2000108.1
606H24.7Very low27.6Very low144 Ų144147.9 Ų147.967%0.66779%0.79SS**  trans-78.8130170.2-81.2-93000111.1N604 V608N604-H606 PolarHBondContact ND2-CD2 3.14Å; N604-H606 VanDerWaalsContact ND2-CD2 3.25Å; N604-H606 PolarHBondContact ND2-NE2 3.04Å; N604-H606 VanDerWaalsContact ND2-NE2 3.13Å; H606-V608 HydrophobicContact CB-CG2 4.25Å
607T24.4Very low28Very low142 Ų142147 Ų14787%0.87179%0.786SS**  trans-117.3129.8145.4-8.30000106.9
608V25.9Very low28.1Very low101 Ų101151.6 Ų151.661%0.61279%0.788SS**  trans-117.8130.2-170.6170.40000109.1H606H606-V608 HydrophobicContact CB-CG2 4.25Å
609N25.7Very low28.3Very low129 Ų129149.9 Ų149.969%0.6978%0.781SS**  trans50.7119.3165.9-59.513.5000118
610Q29Very low28.5Very low189 Ų189145.6 Ų145.688%0.88377%0.772SS**SBend-165.269.4118.5-168.5158.218.200111.7
611L26.9Very low29Very low149 Ų149149.7 Ų149.778%0.7877%0.773SS**  trans-158.123.6165.3-115.1156.9000114.7
612D31.1Very low29.6Very low131 Ų131148.6 Ų148.670%0.70176%0.755SS**  trans-74.3155.6151.8-70.3-54.5000108.8
613I33.9Very low30.2Very low168 Ų168141.7 Ų141.786%0.86274%0.742SS**SBendtrans72.774.5-170.4-43.2167.5000112.6
614L29.4Very low30.6Very low144 Ų144143.3 Ų143.375%0.75474%0.739SS**SBendtrans-165.1-20.2143.5-109.7166.4000114.7
615D31.6Very low31.4Very low142 Ų142144.6 Ų144.676%0.75974%0.735SS**G310 helixtrans-87-1.6-171-73.7-31.8000117.1E617D615-E617 PolarHBondContact O-N 3.34Å
616E30.9Very low32.4Very low190 Ų190142.5 Ų142.589%0.88873%0.726SS**G310 helixtrans-70-11.5-179.5-81.6-152.7130.900114.9
617E32.8Very low33.2Very low176 Ų176140.7 Ų140.782%0.82272%0.721SS**G310 helixtrans-92.4-4.3-172.8-150167.1-159.800114.8D615D615-E617 PolarHBondContact O-N 3.34Å
618W31.7Very low34.1Very low243 Ų243137.6 Ų137.692%0.9270%0.698SS**SBendtrans-103-7-175.1-10686.4000116.9S620W618-S620 VanDerWaalsContact C-N 3.35Å; W618-S620 PolarHBondContact O-N 3.07Å
619L30.9Very low35Very low132 Ų132138.5 Ų138.569%0.69169%0.694SS**SBendtrans-88.65.3-179-78.1168.9000114.9
620S31.5Very low35.9Very low99 Ų99136.6 Ų136.669%0.69268%0.683SS**SBendtrans-104.213.9-162.9-60.50000115.9W618W618-S620 VanDerWaalsContact C-N 3.35Å; W618-S620 PolarHBondContact O-N 3.07Å
621I34.9Very low36.5Very low165 Ų165132.7 Ų132.785%0.84667%0.668SS**  trans-137.172.2178.8-43.2179.8000112.3
622S36.8Very low37.1Very low48 Ų48127.7 Ų127.734%0.33665%0.645SS.*  trans-127.5115.6159.5179.70000110Q624 R625S622-Q624 PolarHBondContact O-N 2.66Å; S622-R625 PolarHBondContact O-N 3.35Å
623P39.3Very low37.8Very low99 Ų99127.3 Ų127.364%0.64364%0.639SS**THydrogen-bonded Turntrans-59.7-19.2-174.1-26.435000115.4
624Q40.5Very low38.2Very low152 Ų152126.1 Ų126.171%0.7163%0.63SS**Hα-helixtrans-80.1-15.1-174.4-69.4156.7-7200113.5S622S622-Q624 PolarHBondContact O-N 2.66Å
625R42.2Very low38.9Very low142 Ų142124 Ų12454%0.53662%0.62SS.*Hα-helixtrans-79.5-33179.5-70.6-174.1174.8178.8-2.5113.1S622 K629S622-R625 PolarHBondContact O-N 3.35Å; R625-K629 PolarHBondContact O-N 2.74Å
626D45.6Very low39.3Very low108 Ų108126.1 Ų126.158%0.57863%0.625SS**Hα-helixtrans-73.2-41.9178.8-72.3-34.9000112.5L628 K629 L630D626-L628 VanDerWaalsContact C-N 3.29Å; D626-L628 PolarHBondContact O-N 2.84Å; D626-K629 PolarHBondContact O-N 3.4Å; D626-K629 VanDerWaalsContact O-N 3.14Å; D626-L630 PolarHBondContact O-N 3.44Å
627D41.9Very low40Very low106 Ų106126.5 Ų126.557%0.56763%0.627SS**Hα-helixtrans-57.8-39.6179.3-79.9-16.1000112.2L631D627-L631 WeakPolarHBondContact O-CG 3.21Å; D627-L631 PolarHBondContact O-N 3.35Å; D627-L631 VanDerWaalsContact O-N 3.13Å
628L43.7Very low40.6Very low76 Ų76126.9 Ų126.940%0.39863%0.628SS.*Hα-helixtrans-71.5-33.8179.1-171.163.9000112.4D626 L631 C632D626-L628 VanDerWaalsContact C-N 3.29Å; D626-L628 PolarHBondContact O-N 2.84Å; L628-L631 PolarHBondContact O-N 3.38Å; L628-C632 PolarHBondContact O-N 2.59Å
629K44.4Very low41.2Very low121 Ų121118 Ų11853%0.52660%0.601SS.*Hα-helixtrans-69.4-45176.1-169.7178.8177.8-174.30111.3R625 D626 L631 C632 E633R625-K629 PolarHBondContact O-N 2.74Å; D626-K629 PolarHBondContact O-N 3.4Å; D626-K629 VanDerWaalsContact O-N 3.14Å; K629-L631 VanDerWaalsContact C-N 3.27Å; K629-L631 PolarHBondContact O-N 2.71Å; K629-C632 PolarHBondContact O-N 3.25Å; K629-E633 VanDerWaalsContact CE-OE1 3.26Å; K629-E633 WeakPolarHBondContact CE-OE1 3.34Å; K629-E633 PolarHBondContact O-N 2.93Å
630L44.9Very low42.1Very low88 Ų88114.4 Ų114.446%0.46159%0.587SS.*Hα-helixtrans-59-35.4173.9-79.8161.9000112.9D626 Q634D626-L630 PolarHBondContact O-N 3.44Å; L630-Q634 VanDerWaalsContact O-CG 3.32Å; L630-Q634 WeakPolarHBondContact O-CG 3.44Å; L630-Q634 PolarHBondContact O-N 3.15Å
631L41.4Very low43Very low108 Ų108114.7 Ų114.757%0.56559%0.586SS**Hα-helixtrans-70.1-29.1174.6-78.1166.8000113.4D627 L628 K629D627-L631 WeakPolarHBondContact O-CG 3.21Å; D627-L631 PolarHBondContact O-N 3.35Å; D627-L631 VanDerWaalsContact O-N 3.13Å; L628-L631 PolarHBondContact O-N 3.38Å; K629-L631 VanDerWaalsContact C-N 3.27Å; K629-L631 PolarHBondContact O-N 2.71Å
632C39.1Very low43.7Very low43 Ų43113.9 Ų113.929%0.29158%0.579SS.*Hα-helixtrans-81.8-38.2178.4-155.20000111.9L628 K629 Q634 N635 F644L628-C632 PolarHBondContact O-N 2.59Å; K629-C632 PolarHBondContact O-N 3.25Å; C632-Q634 PolarHBondContact O-N 3.03Å; C632-N635 PolarHBondContact O-N 3.37Å; C632-F644 HydrophobicContact CB-CD2 4.5Å; C632-F644 HydrophobicContact CB-CE2 4.45Å
633E46Very low44.5Very low123 Ų123115 Ų11558%0.57558%0.581SS**Hα-helixtrans-67.1-13.2175.1-70.4175.8-17500113.4K629K629-E633 VanDerWaalsContact CE-OE1 3.26Å; K629-E633 WeakPolarHBondContact CE-OE1 3.34Å; K629-E633 PolarHBondContact O-N 2.93Å
634Q41.8Very low45Very low144 Ų144114.2 Ų114.267%0.67357%0.567SS**THydrogen-bonded Turntrans-98.5-3.5178.8-72.9-179.613.400115L630 C632L630-Q634 VanDerWaalsContact O-CG 3.32Å; L630-Q634 WeakPolarHBondContact O-CG 3.44Å; L630-Q634 PolarHBondContact O-N 3.15Å; C632-Q634 PolarHBondContact O-N 3.03Å
635N44.9Very low45.7Very low100 Ų100110.8 Ų110.854%0.53556%0.557SS.*  trans-141.960.9-175.7-82.9-45.5000112.7C632 E637C632-N635 PolarHBondContact O-N 3.37Å; N635-E637 PolarHBondContact O-N 3.36Å; N635-E637 VanDerWaalsContact O-N 3.1Å
636E39.6Very low46.3Very low185 Ų185106 Ų10686%0.86454%0.54SS*.THydrogen-bonded Turntrans-61-17.9-177.4-65.6-168.4123.200115.1
637E45.6Very low46.8Very low199 Ų199105.6 Ų105.693%0.9353%0.534SS*.THydrogen-bonded Turntrans-95.2-14.8-173.3-66.6-159.9128.200116.6N635N635-E637 PolarHBondContact O-N 3.36Å; N635-E637 VanDerWaalsContact O-N 3.1Å
638E46.5Very low47.7Very low183 Ų183104.9 Ų104.986%0.85553%0.528SS*.THydrogen-bonded Turntrans-116.9-14.8-178-76.9-156.1135.400116.2S640E638-S640 PolarHBondContact O-N 3.26Å
639V43.2Very low48.6Very low58 Ų58103.4 Ų103.435%0.35253%0.526SS..  trans-94.6100-176-171.80000112.1
640S50.6Low49.3Very low56 Ų56100 Ų10039%0.39252%0.515SS..  trans-62.1137.9166.6177.80000110.5E638 Q642 L643E638-S640 PolarHBondContact O-N 3.26Å; S640-Q642 PolarHBondContact O-N 3.45Å; S640-L643 WeakPolarHBondContact O-CB 3.38Å; S640-L643 PolarHBondContact O-N 2.98Å
641P50.9Low50.2Low105 Ų10598.6 Ų98.668%0.68251%0.513SS*.Hα-helixtrans-54.2-24.3176.4-28.735.7000114.7L643 T645P641-L643 VanDerWaalsContact C-N 3.3Å; P641-L643 PolarHBondContact O-N 3.45Å; P641-T645 PolarHBondContact O-N 3.17Å; P641-T645 PolarHBondContact O-OG1 3.43Å
642Q49.9Very low51.5Low147 Ų14798.1 Ų98.169%0.68751%0.508SS*.Hα-helixtrans-70.4-22.1175.9-63.9175.9-40.900113.8S640 T645 F646S640-Q642 PolarHBondContact O-N 3.45Å; Q642-T645 PolarHBondContact O-OG1 3.26Å; Q642-F646 WeakPolarHBondContact O-CB 3.4Å; Q642-F646 PolarHBondContact O-N 3.33Å
643L52.3Low53Low73 Ų7397 Ų9738%0.38250%0.5SS..Hα-helixtrans-86-33.8177.4-169.365.8000111.2S640 P641 F646 H647S640-L643 WeakPolarHBondContact O-CB 3.38Å; S640-L643 PolarHBondContact O-N 2.98Å; P641-L643 VanDerWaalsContact C-N 3.3Å; P641-L643 PolarHBondContact O-N 3.45Å; L643-F646 PolarHBondContact O-N 3.3Å; L643-H647 PolarHBondContact O-CD2 3.33Å; L643-H647 PolarHBondContact O-N 3.33Å
644F49.3Very low53.9Low81 Ų8194.4 Ų94.436%0.35549%0.491SS..Hα-helixtrans-63-51.6174.1-175.8-87.4000111.4C632 F646 H647 E648C632-F644 HydrophobicContact CB-CD2 4.5Å; C632-F644 HydrophobicContact CB-CE2 4.45Å; F644-F646 VanDerWaalsContact C-N 3.26Å; F644-F646 PolarHBondContact O-N 3.27Å; F644-H647 PolarHBondContact O-N 3.02Å; F644-H647 VanDerWaalsContact O-N 3.14Å; F644-E648 PolarHBondContact O-N 3.38Å
645T55.6Low55.4Low81 Ų8192.9 Ų92.950%0.49748%0.484SS..Hα-helixtrans-65-28.6177.850.90000113.1P641 Q642 A649P641-T645 PolarHBondContact O-N 3.17Å; P641-T645 PolarHBondContact O-OG1 3.43Å; Q642-T645 PolarHBondContact O-OG1 3.26Å; T645-A649 WeakPolarHBondContact O-CB 3.49Å; T645-A649 PolarHBondContact O-N 3.07Å
646F55.9Low56.9Low41 Ų4190.6 Ų90.618%0.1847%0.471CS..Hα-helixtrans-67.8-44.3171.4-177.3-102.2000112.1Q642 L643 F644 A649 V650 E727 I734Q642-F646 WeakPolarHBondContact O-CB 3.4Å; Q642-F646 PolarHBondContact O-N 3.33Å; L643-F646 PolarHBondContact O-N 3.3Å; F644-F646 VanDerWaalsContact C-N 3.26Å; F644-F646 PolarHBondContact O-N 3.27Å; F646-A649 PolarHBondContact O-N 3.38Å; F646-V650 HydrophobicContact CD1-CG2 4.33Å; F646-V650 HydrophobicContact CE1-CG2 3.94Å; F646-V650 HydrophobicContact CE2-CG2 4.29Å; F646-V650 HydrophobicContact CZ-CG2 3.91Å; F646-V650 WeakPolarHBondContact O-CG2 3.44Å; F646-V650 PolarHBondContact O-N 2.99Å; F646-E727 HydrophobicContact CE2-CG 4.22Å; F646-E727 VanDerWaalsContact CE2-OE1 3.31Å; F646-E727 WeakPolarHBondContact CE2-OE1 3.17Å; F646-E727 VanDerWaalsContact CZ-OE1 3.27Å; F646-E727 WeakPolarHBondContact CZ-OE1 3.34Å; F646-I734 HydrophobicContact CB-CD1 4.02Å; F646-I734 HydrophobicContact CD1-CD1 4.13Å; F646-I734 HydrophobicContact CD2-CD1 3.53Å; F646-I734 HydrophobicContact CE2-CD1 4Å; F646-I734 HydrophobicContact CG-CD1 3.61Å; F646-I734 HydrophobicContact CZ-CD1 4.48Å
647H55.8Low58.7Low99 Ų9986 Ų8646%0.45845%0.45SS..Hα-helixtrans-64.6-38.2175.4-87.6-68.5000112.8L643 F644 V650 S651L643-H647 PolarHBondContact O-CD2 3.33Å; L643-H647 PolarHBondContact O-N 3.33Å; F644-H647 PolarHBondContact O-N 3.02Å; F644-H647 VanDerWaalsContact O-N 3.14Å; H647-V650 PolarHBondContact O-N 3.48Å; H647-S651 PolarHBondContact O-N 3.49Å; H647-S651 PolarHBondContact O-OG 3.04Å
648E61.4Low60.1Low92 Ų9283 Ų8343%0.4344%0.435SS..Hα-helixtrans-61.5-47.2173.6-178.2170.7-152.900111.9F644 V650 S651 Q652F644-E648 PolarHBondContact O-N 3.38Å; E648-V650 PolarHBondContact O-N 3.2Å; E648-S651 PolarHBondContact O-N 3.06Å; E648-Q652 WeakPolarHBondContact O-CG 3.48Å; E648-Q652 PolarHBondContact O-N 3.31Å
649A61.6Low61.8Low44 Ų4479.1 Ų79.136%0.36442%0.417SS..Hα-helixtrans-62.1-40.8176.600000112.7T645 F646 Q652 L653T645-A649 WeakPolarHBondContact O-CB 3.49Å; T645-A649 PolarHBondContact O-N 3.07Å; F646-A649 PolarHBondContact O-N 3.38Å; A649-Q652 PolarHBondContact O-N 2.85Å; A649-L653 WeakPolarHBondContact O-CB 3.35Å; A649-L653 PolarHBondContact O-N 3.46Å
650V60.1Low63.9Low49 Ų4977.2 Ų77.230%0.29741%0.406SS..Hα-helixtrans-65.1-37.7175.3169.80000111.6F646 H647 E648 L653 V654 E727F646-V650 HydrophobicContact CD1-CG2 4.33Å; F646-V650 HydrophobicContact CE1-CG2 3.94Å; F646-V650 HydrophobicContact CE2-CG2 4.29Å; F646-V650 HydrophobicContact CZ-CG2 3.91Å; F646-V650 WeakPolarHBondContact O-CG2 3.44Å; F646-V650 PolarHBondContact O-N 2.99Å; H647-V650 PolarHBondContact O-N 3.48Å; E648-V650 PolarHBondContact O-N 3.2Å; V650-L653 PolarHBondContact O-N 2.95Å; V650-V654 WeakPolarHBondContact O-CG2 3.48Å; V650-V654 PolarHBondContact O-N 2.95Å; V650-V654 VanDerWaalsContact O-N 3.15Å; V650-E727 HydrophobicContact CG2-CG 4.33Å
651S61.9Low65.3Low60 Ų6078.1 Ų78.142%0.4241%0.406SS..Hα-helixtrans-64.8-46.4174.9-69.10000112.3H647 E648 L653 V654 E655H647-S651 PolarHBondContact O-N 3.49Å; H647-S651 PolarHBondContact O-OG 3.04Å; E648-S651 PolarHBondContact O-N 3.06Å; S651-L653 VanDerWaalsContact C-N 3.27Å; S651-L653 PolarHBondContact O-N 2.91Å; S651-V654 PolarHBondContact O-N 2.9Å; S651-E655 PolarHBondContact O-N 3.05Å; S651-E655 VanDerWaalsContact O-N 3.11Å
652Q70.2Confident66.9Low97 Ų9777.9 Ų77.945%0.45340%0.396SS..Hα-helixtrans-61.2-36.7175.2-67.6174.616.900111.9E648 A649 V654 E655 M656E648-Q652 WeakPolarHBondContact O-CG 3.48Å; E648-Q652 PolarHBondContact O-N 3.31Å; A649-Q652 PolarHBondContact O-N 2.85Å; Q652-V654 PolarHBondContact O-N 3.09Å; Q652-E655 PolarHBondContact O-N 2.89Å; Q652-M656 WeakPolarHBondContact O-CG 3.39Å; Q652-M656 PolarHBondContact O-N 2.87Å
653L69.5Low68.6Low21 Ų2172 Ų7211%0.1137%0.369CS..Hα-helixtrans-64.6-38.3177.2-167.9154.4000112.2A649 V650 S651 M656 E657 F720 T723 L724 E727A649-L653 WeakPolarHBondContact O-CB 3.35Å; A649-L653 PolarHBondContact O-N 3.46Å; V650-L653 PolarHBondContact O-N 2.95Å; S651-L653 VanDerWaalsContact C-N 3.27Å; S651-L653 PolarHBondContact O-N 2.91Å; L653-M656 PolarHBondContact O-N 3.16Å; L653-E657 PolarHBondContact O-N 2.86Å; L653-F720 HydrophobicContact CD2-CE2 3.91Å; L653-F720 HydrophobicContact CD2-CZ 4.46Å; L653-F720 HydrophobicContact CG-CE2 4.12Å; L653-T723 HydrophobicContact CD1-CG2 4.45Å; L653-L724 HydrophobicContact CD1-CD2 4.02Å; L653-L724 HydrophobicContact CD1-CG 4.18Å; L653-L724 HydrophobicContact CD2-CD2 4.06Å; L653-L724 HydrophobicContact CD2-CG 4.46Å; L653-E727 HydrophobicContact CD1-CB 3.84Å; L653-E727 HydrophobicContact CD1-CG 4.2Å
654V64.9Low70.4Confident67 Ų6773.9 Ų73.941%0.40638%0.376SS..Hα-helixtrans-67.2-42173.8173.60000111.4V650 S651 Q652 M656 E657 E658V650-V654 WeakPolarHBondContact O-CG2 3.48Å; V650-V654 PolarHBondContact O-N 2.95Å; V650-V654 VanDerWaalsContact O-N 3.15Å; S651-V654 PolarHBondContact O-N 2.9Å; Q652-V654 PolarHBondContact O-N 3.09Å; V654-M656 VanDerWaalsContact C-N 3.3Å; V654-M656 PolarHBondContact O-N 3.38Å; V654-E657 PolarHBondContact O-N 2.95Å; V654-E658 PolarHBondContact O-N 2.84Å
655E74Confident72.2Confident112 Ų11275.4 Ų75.452%0.52338%0.379SS..Hα-helixtrans-59.9-40.6174.1-68.5175178.900111.3S651 Q652 Q659S651-E655 PolarHBondContact O-N 3.05Å; S651-E655 VanDerWaalsContact O-N 3.11Å; Q652-E655 PolarHBondContact O-N 2.89Å; E655-Q659 PolarHBondContact O-N 3.22Å; E655-Q659 VanDerWaalsContact O-N 3.1Å
656M75.6Confident73.6Confident52 Ų5274 Ų7426%0.25638%0.376SS..Hα-helixtrans-68-36.3173.8-70179.775.700113.4Q652 L653 V654 V660 S719 F720 T723Q652-M656 WeakPolarHBondContact O-CG 3.39Å; Q652-M656 PolarHBondContact O-N 2.87Å; L653-M656 PolarHBondContact O-N 3.16Å; V654-M656 VanDerWaalsContact C-N 3.3Å; V654-M656 PolarHBondContact O-N 3.38Å; M656-V660 WeakPolarHBondContact O-CB 3.46Å; M656-V660 WeakPolarHBondContact O-CG2 3.27Å; M656-V660 PolarHBondContact O-N 2.94Å; M656-S719 WeakPolarHBondContact CE-OG 3.32Å; M656-F720 HydrophobicContact CB-CD2 3.79Å; M656-F720 HydrophobicContact CB-CE2 4.35Å; M656-F720 HydrophobicContact CE-CB 4.29Å; M656-T723 HydrophobicContact SD-CG2 4.11Å
657E77.8Confident75.3Confident90 Ų9072.8 Ų72.842%0.42137%0.372SS..Hα-helixtrans-63.3-48.1174.8-173.3177.1-171.600110.7L653 V654 Q659 V660 L661 F720L653-E657 PolarHBondContact O-N 2.86Å; V654-E657 PolarHBondContact O-N 2.95Å; E657-Q659 PolarHBondContact O-N 3.15Å; E657-V660 PolarHBondContact O-N 3.4Å; E657-L661 HydrophobicContact CG-CD1 3.88Å; E657-L661 HydrophobicContact CG-CG 4.43Å; E657-L661 VanDerWaalsContact O-CB 3.32Å; E657-L661 WeakPolarHBondContact O-CB 3.25Å; E657-L661 WeakPolarHBondContact O-CG 3.38Å; E657-L661 PolarHBondContact O-N 2.98Å; E657-F720 HydrophobicContact CB-CE2 3.78Å; E657-F720 HydrophobicContact CB-CZ 3.59Å; E657-F720 HydrophobicContact CG-CE1 4.45Å; E657-F720 HydrophobicContact CG-CE2 4.5Å; E657-F720 HydrophobicContact CG-CZ 3.81Å
658E75.9Confident76.8Confident134 Ų13474.4 Ų74.463%0.62638%0.378SS*.Hα-helixtrans-61.4-42.6178.5-70.1-164.4160.500111.8V654 L661 E662V654-E658 PolarHBondContact O-N 2.84Å; E658-L661 PolarHBondContact O-N 2.66Å; E658-E662 PolarHBondContact O-N 3.35Å
659Q81.9Confident77.9Confident102 Ų10276.3 Ų76.348%0.47739%0.386SS..Hα-helixtrans-65.5-47.2177.3-171.56556.900112.6E655 E657 L661 E662 D663E655-Q659 PolarHBondContact O-N 3.22Å; E655-Q659 VanDerWaalsContact O-N 3.1Å; E657-Q659 PolarHBondContact O-N 3.15Å; Q659-L661 PolarHBondContact O-N 3.3Å; Q659-E662 PolarHBondContact O-N 3.49Å; Q659-E662 VanDerWaalsContact O-N 3.15Å; Q659-D663 PolarHBondContact NE2-OD1 3.49Å; Q659-D663 WeakPolarHBondContact O-CB 3.21Å; Q659-D663 VanDerWaalsContact O-CG 3.28Å; Q659-D663 PolarHBondContact O-N 3.29Å
660V87.9Confident79.1Confident19 Ų1976.8 Ų76.812%0.11538%0.381CS..Hα-helixtrans-62.4-34.7177.9167.30000111.3M656 E657 H664 K716 V717 F720M656-V660 WeakPolarHBondContact O-CB 3.46Å; M656-V660 WeakPolarHBondContact O-CG2 3.27Å; M656-V660 PolarHBondContact O-N 2.94Å; E657-V660 PolarHBondContact O-N 3.4Å; V660-H664 VanDerWaalsContact O-CB 3.27Å; V660-H664 WeakPolarHBondContact O-CB 3.4Å; V660-H664 PolarHBondContact O-N 2.95Å; V660-K716 HydrophobicContact CG2-CB 4.37Å; V660-V717 HydrophobicContact CG1-CG2 3.64Å; V660-F720 HydrophobicContact CG2-CB 3.99Å; V660-F720 HydrophobicContact CG2-CG 4.35Å
661L79Confident80.4Confident75 Ų7576.7 Ų76.739%0.39338%0.383SS..Hα-helixtrans-72-33.6175.2-73174.4000113.1E657 E658 Q659 R665E657-L661 HydrophobicContact CG-CD1 3.88Å; E657-L661 HydrophobicContact CG-CG 4.43Å; E657-L661 VanDerWaalsContact O-CB 3.32Å; E657-L661 WeakPolarHBondContact O-CB 3.25Å; E657-L661 WeakPolarHBondContact O-CG 3.38Å; E657-L661 PolarHBondContact O-N 2.98Å; E658-L661 PolarHBondContact O-N 2.66Å; Q659-L661 PolarHBondContact O-N 3.3Å; L661-R665 WeakPolarHBondContact O-CG 3.33Å; L661-R665 PolarHBondContact O-N 3.14Å; L661-R665 PolarHBondContact O-NE 3.13Å; L661-R665 PolarHBondContact O-NH1 2.66Å; L661-R665 VanDerWaalsContact O-NH1 3.14Å
662E83.9Confident81.5Confident99 Ų9977.9 Ų77.946%0.46338%0.383SS..Hα-helixtrans-74-43.7174.7-167.563.1-159.200111.5E658 Q659 H664 R665 A666E658-E662 PolarHBondContact O-N 3.35Å; Q659-E662 PolarHBondContact O-N 3.49Å; Q659-E662 VanDerWaalsContact O-N 3.15Å; E662-H664 VanDerWaalsContact C-N 3.3Å; E662-H664 PolarHBondContact O-N 3.01Å; E662-R665 CarbonylContact O-C 3.56Å; E662-R665 WeakPolarHBondContact O-CA 3.4Å; E662-R665 WeakPolarHBondContact O-CB 3.49Å; E662-R665 PolarHBondContact O-N 3.45Å; E662-R665 IonicContact OE2-CZ 2.76Å; E662-R665 IonicContact OE2-NE 3.71Å; E662-R665 PolarHBondContact OE2-NE 3.26Å; E662-R665 IonicContact OE2-NH2 3.6Å; E662-R665 PolarHBondContact OE2-NH2 2.67Å; E662-A666 PolarHBondContact O-N 3.45Å
663D86.3Confident82.3Confident25 Ų2578 Ų7813%0.13438%0.38CS..Hα-helixtrans-60.5-41.8175.2-67.3-13.1000110.8Q659 R665 A666 V667 L713 K716Q659-D663 PolarHBondContact NE2-OD1 3.49Å; Q659-D663 WeakPolarHBondContact O-CB 3.21Å; Q659-D663 VanDerWaalsContact O-CG 3.28Å; Q659-D663 PolarHBondContact O-N 3.29Å; D663-R665 VanDerWaalsContact C-N 3.3Å; D663-R665 PolarHBondContact O-N 2.91Å; D663-A666 WeakPolarHBondContact O-CB 3.41Å; D663-A666 PolarHBondContact O-N 2.98Å; D663-A666 VanDerWaalsContact O-N 3.16Å; D663-V667 WeakPolarHBondContact O-CG2 3.36Å; D663-V667 PolarHBondContact O-N 3.44Å; D663-L713 HydrophobicContact CB-CD1 3.9Å; D663-K716 IonicContact OD1-NZ 3.07Å; D663-K716 WeakPolarHBondContact OD2-CD 3.32Å; D663-K716 WeakPolarHBondContact OD2-CE 3.33Å; D663-K716 IonicContact OD2-NZ 2.76Å; D663-K716 PolarHBondContact OD2-NZ 2.96Å
664H89.9Confident83.3Confident111 Ų11177.1 Ų77.151%0.51438%0.375SS..Hα-helixtrans-62.9-33.4173.3179.8-133000112.9V660 E662 F668 L713V660-H664 VanDerWaalsContact O-CB 3.27Å; V660-H664 WeakPolarHBondContact O-CB 3.4Å; V660-H664 PolarHBondContact O-N 2.95Å; E662-H664 VanDerWaalsContact C-N 3.3Å; E662-H664 PolarHBondContact O-N 3.01Å; H664-F668 WeakPolarHBondContact O-CB 3.32Å; H664-F668 PolarHBondContact O-N 3.2Å; H664-L713 HydrophobicContact CB-CD1 4.2Å; H664-L713 HydrophobicContact CB-CD2 4.29Å
665R86.4Confident84.3Confident113 Ų11379 Ų7943%0.42638%0.382SS..Hα-helixtrans-68.3-40.2171.5-77.2-178-72.6-85.26.1111.8L661 E662 D663 F668 Q669L661-R665 WeakPolarHBondContact O-CG 3.33Å; L661-R665 PolarHBondContact O-N 3.14Å; L661-R665 PolarHBondContact O-NE 3.13Å; L661-R665 PolarHBondContact O-NH1 2.66Å; L661-R665 VanDerWaalsContact O-NH1 3.14Å; E662-R665 CarbonylContact O-C 3.56Å; E662-R665 WeakPolarHBondContact O-CA 3.4Å; E662-R665 WeakPolarHBondContact O-CB 3.49Å; E662-R665 PolarHBondContact O-N 3.45Å; E662-R665 IonicContact OE2-CZ 2.76Å; E662-R665 IonicContact OE2-NE 3.71Å; E662-R665 PolarHBondContact OE2-NE 3.26Å; E662-R665 IonicContact OE2-NH2 3.6Å; E662-R665 PolarHBondContact OE2-NH2 2.67Å; D663-R665 VanDerWaalsContact C-N 3.3Å; D663-R665 PolarHBondContact O-N 2.91Å; R665-F668 PolarHBondContact O-N 3.48Å; R665-Q669 WeakPolarHBondContact O-CG 3.31Å; R665-Q669 PolarHBondContact O-N 3.34Å
666A86.4Confident85Confident51 Ų5179.8 Ų79.842%0.42139%0.386SS..Hα-helixtrans-63.7-49176.600000111.4E662 D663 F668 Q669 E670E662-A666 PolarHBondContact O-N 3.45Å; D663-A666 WeakPolarHBondContact O-CB 3.41Å; D663-A666 PolarHBondContact O-N 2.98Å; D663-A666 VanDerWaalsContact O-N 3.16Å; A666-F668 VanDerWaalsContact C-N 3.28Å; A666-F668 PolarHBondContact O-N 3.01Å; A666-Q669 PolarHBondContact O-N 3.07Å; A666-Q669 VanDerWaalsContact O-N 3.09Å; A666-E670 PolarHBondContact O-N 3.33Å
667V91.2Very high85.6Confident16 Ų1680 Ų8010%0.09739%0.388CS..Hα-helixtrans-61.2-35.4175.8177.80000112.1D663 S671 I709 L710 L713D663-V667 WeakPolarHBondContact O-CG2 3.36Å; D663-V667 PolarHBondContact O-N 3.44Å; V667-S671 VanDerWaalsContact O-CB 3.25Å; V667-S671 WeakPolarHBondContact O-CB 3.27Å; V667-S671 PolarHBondContact O-N 2.98Å; V667-I709 HydrophobicContact CB-CG2 4.38Å; V667-I709 HydrophobicContact CG1-CG2 4.28Å; V667-I709 HydrophobicContact CG2-CG2 3.5Å; V667-I709 VanDerWaalsContact CG2-CG2 3.5Å; V667-L710 HydrophobicContact CG1-CD2 3.76Å; V667-L713 HydrophobicContact CB-CD2 3.92Å; V667-L713 HydrophobicContact CG1-CD2 4.12Å; V667-L713 HydrophobicContact CG2-CB 4.13Å; V667-L713 HydrophobicContact CG2-CD2 3.8Å; V667-L713 HydrophobicContact CG2-CG 4.48Å
668F87.4Confident86.2Confident134 Ų13477.8 Ų77.859%0.58838%0.378SS*.Hα-helixtrans-66.1-39173.8180-95.5000112.9H664 R665 A666 I672H664-F668 WeakPolarHBondContact O-CB 3.32Å; H664-F668 PolarHBondContact O-N 3.2Å; R665-F668 PolarHBondContact O-N 3.48Å; A666-F668 VanDerWaalsContact C-N 3.28Å; A666-F668 PolarHBondContact O-N 3.01Å; F668-I672 HydrophobicContact CD1-CD1 4.49Å; F668-I672 HydrophobicContact CE1-CD1 4Å; F668-I672 HydrophobicContact CZ-CD1 4.49Å; F668-I672 PolarHBondContact O-N 3.1Å
669Q84.5Confident86.9Confident131 Ų13176.6 Ų76.661%0.61237%0.37SS*.Hα-helixtrans-67.8-44.9174.9-70.9177.52800111.6R665 A666 S671 I672 R673R665-Q669 WeakPolarHBondContact O-CG 3.31Å; R665-Q669 PolarHBondContact O-N 3.34Å; A666-Q669 PolarHBondContact O-N 3.07Å; A666-Q669 VanDerWaalsContact O-N 3.09Å; Q669-S671 VanDerWaalsContact C-N 3.25Å; Q669-S671 PolarHBondContact O-N 3.04Å; Q669-I672 WeakPolarHBondContact O-CB 3.49Å; Q669-I672 PolarHBondContact O-N 3.19Å; Q669-R673 PolarHBondContact O-N 2.92Å
670E86.2Confident87.3Confident55 Ų5576.1 Ų76.126%0.25737%0.374SS..Hα-helixtrans-64.9-32179.1-166.166.6176.700111.9A666 I672 R673 W674A666-E670 PolarHBondContact O-N 3.33Å; E670-I672 VanDerWaalsContact C-N 3.26Å; E670-I672 PolarHBondContact O-N 2.9Å; E670-R673 WeakPolarHBondContact O-CB 3.38Å; E670-R673 PolarHBondContact O-N 3.31Å; E670-R673 VanDerWaalsContact O-N 3.07Å; E670-R673 IonicContact OE1-CZ 3.86Å; E670-R673 IonicContact OE1-NE 2.68Å; E670-R673 PolarHBondContact OE1-NE 3.11Å; E670-R673 IonicContact OE1-NH2 2.79Å; E670-R673 PolarHBondContact OE1-NH2 3.23Å; E670-R673 IonicContact OE2-NE 3.61Å; E670-R673 PolarHBondContact OE2-NE 3.49Å; E670-W674 HydrophobicContact CB-CZ2 4.42Å; E670-W674 HydrophobicContact CG-CD2 4.27Å; E670-W674 HydrophobicContact CG-CH2 4.15Å; E670-W674 HydrophobicContact CG-CZ2 3.6Å; E670-W674 PolarHBondContact O-N 3.15Å
671S87Confident87.4Confident47 Ų4775.5 Ų75.533%0.32937%0.37SS..Hα-helixtrans-63.2-27.1171.6-167.30000114.1V667 Q669 W674 L675V667-S671 VanDerWaalsContact O-CB 3.25Å; V667-S671 WeakPolarHBondContact O-CB 3.27Å; V667-S671 PolarHBondContact O-N 2.98Å; Q669-S671 VanDerWaalsContact C-N 3.25Å; Q669-S671 PolarHBondContact O-N 3.04Å; S671-W674 VanDerWaalsContact CA-CE3 3.49Å; S671-L675 WeakPolarHBondContact O-CD1 3.37Å; S671-L675 VanDerWaalsContact O-CG 3.27Å; S671-L675 WeakPolarHBondContact O-CG 3.37Å; S671-L675 PolarHBondContact O-N 3.38Å
672I86.2Confident87.9Confident84 Ų8476.6 Ų76.643%0.43138%0.376SS..Hα-helixtrans-71.9-43.1170.6-61.5165.9000109.8F668 Q669 E670 W674 L675 E676F668-I672 HydrophobicContact CD1-CD1 4.49Å; F668-I672 HydrophobicContact CE1-CD1 4Å; F668-I672 HydrophobicContact CZ-CD1 4.49Å; F668-I672 PolarHBondContact O-N 3.1Å; Q669-I672 WeakPolarHBondContact O-CB 3.49Å; Q669-I672 PolarHBondContact O-N 3.19Å; E670-I672 VanDerWaalsContact C-N 3.26Å; E670-I672 PolarHBondContact O-N 2.9Å; I672-W674 PolarHBondContact O-N 3.42Å; I672-L675 PolarHBondContact O-N 3.4Å; I672-L675 VanDerWaalsContact O-N 3.17Å; I672-E676 PolarHBondContact O-N 3.39Å; I672-E676 VanDerWaalsContact O-N 3.15Å
673R87.5Confident88.1Confident99 Ų9976.5 Ų76.537%0.37438%0.376SS..Hα-helixtrans-60.1-47177.4-166.7178.174.777.7-9111.5Q669 E670 L675 E676 D677Q669-R673 PolarHBondContact O-N 2.92Å; E670-R673 WeakPolarHBondContact O-CB 3.38Å; E670-R673 PolarHBondContact O-N 3.31Å; E670-R673 VanDerWaalsContact O-N 3.07Å; E670-R673 IonicContact OE1-CZ 3.86Å; E670-R673 IonicContact OE1-NE 2.68Å; E670-R673 PolarHBondContact OE1-NE 3.11Å; E670-R673 IonicContact OE1-NH2 2.79Å; E670-R673 PolarHBondContact OE1-NH2 3.23Å; E670-R673 IonicContact OE2-NE 3.61Å; E670-R673 PolarHBondContact OE2-NE 3.49Å; R673-L675 VanDerWaalsContact C-N 3.27Å; R673-L675 PolarHBondContact O-N 2.96Å; R673-E676 WeakPolarHBondContact O-CB 3.28Å; R673-E676 PolarHBondContact O-N 3.44Å; R673-D677 IonicContact CZ-OD2 2.71Å; R673-D677 IonicContact NH1-OD2 3.2Å; R673-D677 PolarHBondContact NH1-OD2 2.97Å; R673-D677 PolarHBondContact O-N 3.16Å
674W88.8Confident87.9Confident4 Ų477.8 Ų77.82%0.01538%0.382CS..Hα-helixtrans-60.3-33.7175.7-63.7-35.8000113.6E670 S671 I672 E676 D677 E678 I702 K706 I709E670-W674 HydrophobicContact CB-CZ2 4.42Å; E670-W674 HydrophobicContact CG-CD2 4.27Å; E670-W674 HydrophobicContact CG-CH2 4.15Å; E670-W674 HydrophobicContact CG-CZ2 3.6Å; E670-W674 PolarHBondContact O-N 3.15Å; S671-W674 VanDerWaalsContact CA-CE3 3.49Å; I672-W674 PolarHBondContact O-N 3.42Å; W674-E676 VanDerWaalsContact C-N 3.33Å; W674-D677 PolarHBondContact O-N 3.23Å; W674-E678 WeakPolarHBondContact O-CB 3.46Å; W674-E678 VanDerWaalsContact O-CG 3.31Å; W674-E678 WeakPolarHBondContact O-CG 3.37Å; W674-E678 PolarHBondContact O-N 3.44Å; W674-I702 HydrophobicContact CB-CG2 4.47Å; W674-K706 HydrophobicContact CD2-CD 4.3Å; W674-K706 HydrophobicContact CD2-CG 3.51Å; W674-K706 HydrophobicContact CE3-CD 4.17Å; W674-K706 HydrophobicContact CE3-CG 3.43Å; W674-K706 VanDerWaalsContact CE3-CG 3.43Å; W674-K706 HydrophobicContact CG-CG 4.12Å; W674-K706 HydrophobicContact CH2-CB 4.46Å; W674-K706 HydrophobicContact CH2-CG 4.04Å; W674-K706 HydrophobicContact CZ2-CG 4.06Å; W674-K706 HydrophobicContact CZ3-CB 4.45Å; W674-K706 HydrophobicContact CZ3-CG 3.73Å; W674-I709 HydrophobicContact CH2-CB 4.01Å; W674-I709 HydrophobicContact CH2-CD1 4.49Å; W674-I709 HydrophobicContact CH2-CG2 3.86Å; W674-I709 HydrophobicContact CZ2-CB 4.22Å; W674-I709 HydrophobicContact CZ2-CD1 3.91Å; W674-I709 HydrophobicContact CZ2-CG2 4.35Å
675L87.4Confident87.6Confident106 Ų10675 Ų7556%0.55537%0.373SS*.Hα-helixtrans-71.4-27.8175.9-75.7168.7000112.6S671 I672 R673 K679S671-L675 WeakPolarHBondContact O-CD1 3.37Å; S671-L675 VanDerWaalsContact O-CG 3.27Å; S671-L675 WeakPolarHBondContact O-CG 3.37Å; S671-L675 PolarHBondContact O-N 3.38Å; I672-L675 PolarHBondContact O-N 3.4Å; I672-L675 VanDerWaalsContact O-N 3.17Å; R673-L675 VanDerWaalsContact C-N 3.27Å; R673-L675 PolarHBondContact O-N 2.96Å; L675-K679 WeakPolarHBondContact O-CB 3.48Å; L675-K679 PolarHBondContact O-N 2.95Å; L675-K679 VanDerWaalsContact O-N 3.17Å
676E88Confident87.5Confident128 Ų12877.6 Ų77.660%0.59839%0.389SS*.Hα-helixtrans-73.7-44.5170.9-66.2-178.1158.100110.7I672 R673 W674 K679 V680I672-E676 PolarHBondContact O-N 3.39Å; I672-E676 VanDerWaalsContact O-N 3.15Å; R673-E676 WeakPolarHBondContact O-CB 3.28Å; R673-E676 PolarHBondContact O-N 3.44Å; W674-E676 VanDerWaalsContact C-N 3.33Å; E676-K679 PolarHBondContact O-N 2.9Å; E676-V680 WeakPolarHBondContact O-CG2 3.35Å; E676-V680 PolarHBondContact O-N 3.01Å
677D88.2Confident87Confident57 Ų5781.7 Ų81.731%0.30540%0.4SS..Hα-helixtrans-62-46.4176.2-65.6-33.4000111.8R673 W674 K679 V680 L681 I702R673-D677 IonicContact CZ-OD2 2.71Å; R673-D677 IonicContact NH1-OD2 3.2Å; R673-D677 PolarHBondContact NH1-OD2 2.97Å; R673-D677 PolarHBondContact O-N 3.16Å; W674-D677 PolarHBondContact O-N 3.23Å; D677-K679 VanDerWaalsContact C-N 3.32Å; D677-K679 PolarHBondContact O-N 2.96Å; D677-V680 PolarHBondContact O-N 3.02Å; D677-L681 PolarHBondContact O-N 3.1Å; D677-I702 HydrophobicContact CB-CD1 3.94Å
678E90.8Very high86.1Confident43 Ų4387.5 Ų87.520%0.20144%0.435CS..Hα-helixtrans-63.5-35.2174.6-77.1175.5143.900112.8W674 L681 L682 I702 K706W674-E678 WeakPolarHBondContact O-CB 3.46Å; W674-E678 VanDerWaalsContact O-CG 3.31Å; W674-E678 WeakPolarHBondContact O-CG 3.37Å; W674-E678 PolarHBondContact O-N 3.44Å; E678-L681 WeakPolarHBondContact O-CB 3.45Å; E678-L681 PolarHBondContact O-N 3.35Å; E678-L682 WeakPolarHBondContact O-CG 3.35Å; E678-L682 PolarHBondContact O-N 3.38Å; E678-I702 HydrophobicContact CG-CD1 4.45Å; E678-I702 HydrophobicContact CG-CG2 4.03Å; E678-K706 IonicContact OE1-NZ 2.69Å; E678-K706 PolarHBondContact OE1-NZ 2.94Å; E678-K706 IonicContact OE2-NZ 3.33Å; E678-K706 PolarHBondContact OE2-NZ 3.35Å
679K90.6Very high85.7Confident109 Ų10988.5 Ų88.547%0.47445%0.447SS..Hα-helixtrans-65.3-44176.2176.6-176.7168.9-69.40111L675 E676 D677 L681 L682 E683L675-K679 WeakPolarHBondContact O-CB 3.48Å; L675-K679 PolarHBondContact O-N 2.95Å; L675-K679 VanDerWaalsContact O-N 3.17Å; E676-K679 PolarHBondContact O-N 2.9Å; D677-K679 VanDerWaalsContact C-N 3.32Å; D677-K679 PolarHBondContact O-N 2.96Å; K679-L681 VanDerWaalsContact C-N 3.28Å; K679-L681 PolarHBondContact O-N 3.32Å; K679-L682 PolarHBondContact O-N 3.42Å; K679-E683 WeakPolarHBondContact CE-OE1 3.33Å; K679-E683 IonicContact NZ-OE1 2.64Å; K679-E683 PolarHBondContact NZ-OE1 3.24Å; K679-E683 IonicContact NZ-OE2 3.88Å; K679-E683 PolarHBondContact NZ-OE2 3.39Å; K679-E683 WeakPolarHBondContact O-CG 3.39Å; K679-E683 PolarHBondContact O-N 2.8Å
680V89.3Confident85.7Confident92 Ų9286 Ų8656%0.55843%0.432SS*.Hα-helixtrans-61.4-40.2175172.40000110.6E676 D677 L682 E683 M684E676-V680 WeakPolarHBondContact O-CG2 3.35Å; E676-V680 PolarHBondContact O-N 3.01Å; D677-V680 PolarHBondContact O-N 3.02Å; V680-L682 VanDerWaalsContact C-N 3.35Å; V680-L682 PolarHBondContact O-N 2.64Å; V680-E683 PolarHBondContact O-N 3.27Å; V680-M684 PolarHBondContact O-N 3.05Å
681L90.8Very high85.8Confident6 Ų687.9 Ų87.93%0.03144%0.444CS..Hα-helixtrans-61.7-40.4176.1-130.476.9000113.2D677 E678 K679 Y695 Q698 L699D677-L681 PolarHBondContact O-N 3.1Å; E678-L681 WeakPolarHBondContact O-CB 3.45Å; E678-L681 PolarHBondContact O-N 3.35Å; K679-L681 VanDerWaalsContact C-N 3.28Å; K679-L681 PolarHBondContact O-N 3.32Å; L681-Y695 HydrophobicContact CB-CE2 4.29Å; L681-Y695 HydrophobicContact CD2-CD2 4.03Å; L681-Y695 HydrophobicContact CD2-CE2 3.98Å; L681-Y695 HydrophobicContact CG-CD2 3.88Å; L681-Y695 HydrophobicContact CG-CE2 4Å; L681-Y695 WeakPolarHBondContact O-CE2 3.42Å; L681-Q698 HydrophobicContact CD1-CB 3.58Å; L681-Q698 HydrophobicContact CD1-CG 4.36Å; L681-Q698 HydrophobicContact CD2-CB 4.16Å; L681-Q698 HydrophobicContact CG-CB 4.45Å; L681-L699 HydrophobicContact CD2-CB 3.67Å; L681-L699 HydrophobicContact CD2-CD1 4.28Å
682L88.4Confident85.9Confident99 Ų9989.8 Ų89.852%0.51845%0.453SS..Hα-helixtrans-71-39.8176.4-71.6169.2000112.5E678 K679 V680 M684 T685E678-L682 WeakPolarHBondContact O-CG 3.35Å; E678-L682 PolarHBondContact O-N 3.38Å; K679-L682 PolarHBondContact O-N 3.42Å; V680-L682 VanDerWaalsContact C-N 3.35Å; V680-L682 PolarHBondContact O-N 2.64Å; L682-M684 VanDerWaalsContact C-N 3.25Å; L682-M684 PolarHBondContact O-N 2.71Å; L682-T685 PolarHBondContact O-N 3.1Å; L682-T685 PolarHBondContact O-OG1 3.5Å
683E88.3Confident86.1Confident97 Ų9793.3 Ų93.345%0.45347%0.468SS..Hα-helixtrans-62.7-32.8175.6-75.2174.8149.300111.6K679 V680 T685 E686K679-E683 WeakPolarHBondContact CE-OE1 3.33Å; K679-E683 IonicContact NZ-OE1 2.64Å; K679-E683 PolarHBondContact NZ-OE1 3.24Å; K679-E683 IonicContact NZ-OE2 3.88Å; K679-E683 PolarHBondContact NZ-OE2 3.39Å; K679-E683 WeakPolarHBondContact O-CG 3.39Å; K679-E683 PolarHBondContact O-N 2.8Å; V680-E683 PolarHBondContact O-N 3.27Å; E683-T685 PolarHBondContact O-N 2.99Å; E683-E686 PolarHBondContact O-N 3.22Å; E683-E686 VanDerWaalsContact O-N 3.15Å
684M82.1Confident86.1Confident52 Ų5290.6 Ų90.626%0.25646%0.464SS..G310 helixtrans-61.9-24.8172.5-168.817569.800113.6V680 L682 E686 E687 Y690 Y695V680-M684 PolarHBondContact O-N 3.05Å; L682-M684 VanDerWaalsContact C-N 3.25Å; L682-M684 PolarHBondContact O-N 2.71Å; M684-E686 PolarHBondContact O-N 3.05Å; M684-E687 PolarHBondContact O-N 3.49Å; M684-Y690 WeakPolarHBondContact O-CB 3.42Å; M684-Y695 HydrophobicContact CE-CD2 4.14Å; M684-Y695 HydrophobicContact CE-CG 4.48Å
685T84.5Confident86.3Confident53 Ų5392.9 Ų92.933%0.32547%0.473SS..G310 helixtrans-78.5-3.4177.172.60000114.1L682 E683 E687 Y690 Y695L682-T685 PolarHBondContact O-N 3.1Å; L682-T685 PolarHBondContact O-OG1 3.5Å; E683-T685 PolarHBondContact O-N 2.99Å; T685-E687 VanDerWaalsContact C-N 3.34Å; T685-Y690 HydrophobicContact CG2-CD2 4.45Å; T685-Y690 HydrophobicContact CG2-CE2 3.93Å; T685-Y695 HydrophobicContact CG2-CD2 3.74Å; T685-Y695 HydrophobicContact CG2-CE2 3.5Å; T685-Y695 VanDerWaalsContact CG2-CE2 3.5Å
686E83Confident86.5Confident166 Ų16690.3 Ų90.378%0.77647%0.467SS*.G310 helixtrans-81.9-13.3172-58.2-163.6164.300112.7E683 M684E683-E686 PolarHBondContact O-N 3.22Å; E683-E686 VanDerWaalsContact O-N 3.15Å; M684-E686 PolarHBondContact O-N 3.05Å
687E77.9Confident86.7Confident137 Ų13787.2 Ų87.264%0.6446%0.457SS*.SBendtrans-78140.8172.3-61.9-161.8155.800111.7M684 T685 D689 Y690M684-E687 PolarHBondContact O-N 3.49Å; T685-E687 VanDerWaalsContact C-N 3.34Å; E687-D689 VanDerWaalsContact C-N 3.31Å; E687-D689 PolarHBondContact O-N 3.46Å; E687-Y690 WeakPolarHBondContact O-CD1 3.37Å
688V70.6Confident86.9Confident139 Ų13988 Ų8884%0.84246%0.459SS*.THydrogen-bonded Turntrans-69.9-29.5-174.7-178.30000112.6
689D80.8Confident87Confident155 Ų15588.2 Ų88.283%0.82946%0.461SS*.THydrogen-bonded Turntrans-114.525.3-170.1-55.8-33.8000112.4E687E687-D689 VanDerWaalsContact C-N 3.31Å; E687-D689 PolarHBondContact O-N 3.46Å
690Y82.9Confident87.1Confident77 Ų7789 Ų8930%0.30247%0.466SS..  trans-66.3149-170.783.3-86.3000114.4M684 T685 E687 V692 Y695M684-Y690 WeakPolarHBondContact O-CB 3.42Å; T685-Y690 HydrophobicContact CG2-CD2 4.45Å; T685-Y690 HydrophobicContact CG2-CE2 3.93Å; E687-Y690 WeakPolarHBondContact O-CD1 3.37Å; Y690-V692 HydrophobicContact CD2-CG2 4.4Å; Y690-V692 HydrophobicContact CE2-CG2 3.92Å; Y690-V692 PolarHBondContact O-N 3.23Å; Y690-Y695 HydrophobicContact CE2-CG 4.26Å
691D89.6Confident87.3Confident95 Ų9589.9 Ų89.951%0.50847%0.465SS..  trans-78.2103.9-180-174-18.2000111.3E693 S694 Y695D691-E693 PolarHBondContact OD1-N 3.48Å; D691-S694 PolarHBondContact OD1-N 3.09Å; D691-S694 WeakPolarHBondContact OD2-CB 3.35Å; D691-Y695 WeakPolarHBondContact O-CB 3.26Å; D691-Y695 PolarHBondContact O-N 3.48Å
692V88.9Confident87.4Confident87 Ų8790.2 Ų90.253%0.52747%0.467SS..Hα-helixtrans-70.2-30-179.3-175.70000112.5Y690 A696Y690-V692 HydrophobicContact CD2-CG2 4.4Å; Y690-V692 HydrophobicContact CE2-CG2 3.92Å; Y690-V692 PolarHBondContact O-N 3.23Å; V692-A696 WeakPolarHBondContact O-CB 3.05Å; V692-A696 PolarHBondContact O-N 3.33Å
693E88.9Confident87.6Confident159 Ų15989.2 Ų89.274%0.74346%0.461SS*.Hα-helixtrans-75.6-43.9179.4-169.7166.6-170.300109.7D691 A696 T697D691-E693 PolarHBondContact OD1-N 3.48Å; E693-A696 PolarHBondContact O-N 3.33Å; E693-T697 PolarHBondContact O-N 3.47Å; E693-T697 PolarHBondContact O-OG1 2.94Å; E693-T697 VanDerWaalsContact O-OG1 3.11Å
694S88.9Confident87.9Confident42 Ų4288.9 Ų88.929%0.29446%0.463SS..Hα-helixtrans-60.7-43.2170.5-1770000112.9D691 Q698D691-S694 PolarHBondContact OD1-N 3.09Å; D691-S694 WeakPolarHBondContact OD2-CB 3.35Å; S694-Q698 WeakPolarHBondContact O-CB 3.31Å; S694-Q698 WeakPolarHBondContact O-CG 3.38Å; S694-Q698 PolarHBondContact O-N 3.41Å; S694-Q698 PolarHBondContact O-NE2 3.35Å; S694-Q698 PolarHBondContact OG-NE2 3.03Å
695Y92.4Very high88.4Confident51 Ų5190.3 Ų90.320%0.247%0.468CS..Hα-helixtrans-58.5-48.1173.7174.4-88.1000111.6L681 M684 T685 Y690 D691 Q698 L699L681-Y695 HydrophobicContact CB-CE2 4.29Å; L681-Y695 HydrophobicContact CD2-CD2 4.03Å; L681-Y695 HydrophobicContact CD2-CE2 3.98Å; L681-Y695 HydrophobicContact CG-CD2 3.88Å; L681-Y695 HydrophobicContact CG-CE2 4Å; L681-Y695 WeakPolarHBondContact O-CE2 3.42Å; M684-Y695 HydrophobicContact CE-CD2 4.14Å; M684-Y695 HydrophobicContact CE-CG 4.48Å; T685-Y695 HydrophobicContact CG2-CD2 3.74Å; T685-Y695 HydrophobicContact CG2-CE2 3.5Å; T685-Y695 VanDerWaalsContact CG2-CE2 3.5Å; Y690-Y695 HydrophobicContact CE2-CG 4.26Å; D691-Y695 WeakPolarHBondContact O-CB 3.26Å; D691-Y695 PolarHBondContact O-N 3.48Å; Y695-Q698 PolarHBondContact O-N 2.95Å; Y695-L699 HydrophobicContact CE1-CD2 3.98Å; Y695-L699 WeakPolarHBondContact O-CB 3.32Å; Y695-L699 PolarHBondContact O-N 3.29Å
696A91.3Very high88.8Confident52 Ų5289.5 Ų89.543%0.4346%0.46SS..Hα-helixtrans-63-46.8-179.300000111.9V692 E693 Q698 L699 E700V692-A696 WeakPolarHBondContact O-CB 3.05Å; V692-A696 PolarHBondContact O-N 3.33Å; E693-A696 PolarHBondContact O-N 3.33Å; A696-Q698 PolarHBondContact O-N 2.99Å; A696-L699 PolarHBondContact O-N 3.15Å; A696-E700 WeakPolarHBondContact O-CB 3.27Å; A696-E700 PolarHBondContact O-N 2.89Å
697T92.8Very high89.3Confident63 Ų6386.1 Ų86.139%0.38745%0.447SS..Hα-helixtrans-63-40.7179-62.20000112.7E693 Q701E693-T697 PolarHBondContact O-N 3.47Å; E693-T697 PolarHBondContact O-OG1 2.94Å; E693-T697 VanDerWaalsContact O-OG1 3.11Å; T697-Q701 WeakPolarHBondContact O-CG 3.17Å; T697-Q701 PolarHBondContact O-N 2.96Å; T697-Q701 VanDerWaalsContact O-N 3.13Å
698Q91.4Very high90.1Very high74 Ų7484.9 Ų84.935%0.34645%0.445SS..Hα-helixtrans-70.1-37.8177.5-72.6177.778.700112L681 S694 Y695 A696 Q701 I702L681-Q698 HydrophobicContact CD1-CB 3.58Å; L681-Q698 HydrophobicContact CD1-CG 4.36Å; L681-Q698 HydrophobicContact CD2-CB 4.16Å; L681-Q698 HydrophobicContact CG-CB 4.45Å; S694-Q698 WeakPolarHBondContact O-CB 3.31Å; S694-Q698 WeakPolarHBondContact O-CG 3.38Å; S694-Q698 PolarHBondContact O-N 3.41Å; S694-Q698 PolarHBondContact O-NE2 3.35Å; S694-Q698 PolarHBondContact OG-NE2 3.03Å; Y695-Q698 PolarHBondContact O-N 2.95Å; A696-Q698 PolarHBondContact O-N 2.99Å; Q698-Q701 PolarHBondContact O-N 2.92Å; Q698-I702 WeakPolarHBondContact O-CG1 3.29Å; Q698-I702 PolarHBondContact O-N 3.03Å; Q698-I702 VanDerWaalsContact O-N 3.1Å
699L93.3Very high91.1Very high48 Ų4880.9 Ų80.925%0.25142%0.418SS..Hα-helixtrans-65.4-42175.8-175.858.1000111.7L681 Y695 A696 I702 L703L681-L699 HydrophobicContact CD2-CB 3.67Å; L681-L699 HydrophobicContact CD2-CD1 4.28Å; Y695-L699 HydrophobicContact CE1-CD2 3.98Å; Y695-L699 WeakPolarHBondContact O-CB 3.32Å; Y695-L699 PolarHBondContact O-N 3.29Å; A696-L699 PolarHBondContact O-N 3.15Å; L699-I702 PolarHBondContact O-N 2.96Å; L699-L703 HydrophobicContact CD1-CD1 4.33Å; L699-L703 HydrophobicContact CD1-CG 4.4Å; L699-L703 HydrophobicContact CG-CD1 4.05Å; L699-L703 WeakPolarHBondContact O-CB 3.17Å; L699-L703 VanDerWaalsContact O-CG 3.27Å; L699-L703 WeakPolarHBondContact O-CG 3.41Å; L699-L703 PolarHBondContact O-N 2.81Å
700E94Very high91.6Very high124 Ų12477.8 Ų77.858%0.57940%0.401SS*.Hα-helixtrans-58.7-47.3175.1-169.8166.4-132.100111A696 I702 L703 D704A696-E700 WeakPolarHBondContact O-CB 3.27Å; A696-E700 PolarHBondContact O-N 2.89Å; E700-I702 PolarHBondContact O-N 3.02Å; E700-L703 PolarHBondContact O-N 3.23Å; E700-L703 VanDerWaalsContact O-N 3.15Å; E700-D704 PolarHBondContact O-N 3.06Å
701Q93.5Very high92.1Very high111 Ų11176.2 Ų76.252%0.51940%0.399SS..Hα-helixtrans-61.3-38.5176.7-71.9173.420.200113.9T697 Q698 Q705T697-Q701 WeakPolarHBondContact O-CG 3.17Å; T697-Q701 PolarHBondContact O-N 2.96Å; T697-Q701 VanDerWaalsContact O-N 3.13Å; Q698-Q701 PolarHBondContact O-N 2.92Å; Q701-Q705 WeakPolarHBondContact O-CG 3.27Å; Q701-Q705 PolarHBondContact O-N 3.43Å; Q701-Q705 VanDerWaalsContact O-N 3.16Å
702I92.1Very high92.2Very high14 Ų1476.7 Ų76.77%0.07240%0.399CS..Hα-helixtrans-68.4-39.3175.6-67164.9000110.6W674 D677 E678 Q698 L699 E700 K706W674-I702 HydrophobicContact CB-CG2 4.47Å; D677-I702 HydrophobicContact CB-CD1 3.94Å; E678-I702 HydrophobicContact CG-CD1 4.45Å; E678-I702 HydrophobicContact CG-CG2 4.03Å; Q698-I702 WeakPolarHBondContact O-CG1 3.29Å; Q698-I702 PolarHBondContact O-N 3.03Å; Q698-I702 VanDerWaalsContact O-N 3.1Å; L699-I702 PolarHBondContact O-N 2.96Å; E700-I702 PolarHBondContact O-N 3.02Å; I702-K706 HydrophobicContact CG2-CD 4.21Å; I702-K706 WeakPolarHBondContact O-CB 3.25Å; I702-K706 VanDerWaalsContact O-CG 3.28Å; I702-K706 WeakPolarHBondContact O-CG 3.48Å; I702-K706 PolarHBondContact O-N 3.29Å
703L93Very high92.4Very high78 Ų7873.6 Ų73.641%0.40838%0.379SS..Hα-helixtrans-68.4-40.1178.6-70.7171.1000112.2L699 E700 K706 I707L699-L703 HydrophobicContact CD1-CD1 4.33Å; L699-L703 HydrophobicContact CD1-CG 4.4Å; L699-L703 HydrophobicContact CG-CD1 4.05Å; L699-L703 WeakPolarHBondContact O-CB 3.17Å; L699-L703 VanDerWaalsContact O-CG 3.27Å; L699-L703 WeakPolarHBondContact O-CG 3.41Å; L699-L703 PolarHBondContact O-N 2.81Å; E700-L703 PolarHBondContact O-N 3.23Å; E700-L703 VanDerWaalsContact O-N 3.15Å; L703-K706 WeakPolarHBondContact O-CB 3.4Å; L703-K706 PolarHBondContact O-N 2.89Å; L703-I707 WeakPolarHBondContact O-CB 3.45Å; L703-I707 WeakPolarHBondContact O-CD1 3.38Å; L703-I707 VanDerWaalsContact O-CG1 3.22Å; L703-I707 WeakPolarHBondContact O-CG1 3.34Å; L703-I707 PolarHBondContact O-N 3.03Å
704D94.3Very high92.7Very high90 Ų9071.4 Ų71.448%0.48136%0.364SS..Hα-helixtrans-64.2-47.6175.6-75.6-17.9000111.5E700 K706 I707 D708E700-D704 PolarHBondContact O-N 3.06Å; D704-K706 VanDerWaalsContact C-N 3.27Å; D704-K706 PolarHBondContact O-N 3.37Å; D704-I707 PolarHBondContact O-N 2.91Å; D704-D708 PolarHBondContact O-N 2.94Å
705Q92.4Very high92.9Very high81 Ų8172.3 Ų72.338%0.37937%0.366SS..Hα-helixtrans-57.8-39.4175.2-73.9179.323.400112.3Q701 I709Q701-Q705 WeakPolarHBondContact O-CG 3.27Å; Q701-Q705 PolarHBondContact O-N 3.43Å; Q701-Q705 VanDerWaalsContact O-N 3.16Å; Q705-I709 WeakPolarHBondContact O-CB 3.41Å; Q705-I709 PolarHBondContact O-N 3.17Å
706K93.2Very high92.8Very high36 Ų3673 Ų7316%0.15737%0.37CS..Hα-helixtrans-61.8-46.7172.4-79.1174.9178.9-165.90112W674 E678 I702 L703 D704 L710W674-K706 HydrophobicContact CD2-CD 4.3Å; W674-K706 HydrophobicContact CD2-CG 3.51Å; W674-K706 HydrophobicContact CE3-CD 4.17Å; W674-K706 HydrophobicContact CE3-CG 3.43Å; W674-K706 VanDerWaalsContact CE3-CG 3.43Å; W674-K706 HydrophobicContact CG-CG 4.12Å; W674-K706 HydrophobicContact CH2-CB 4.46Å; W674-K706 HydrophobicContact CH2-CG 4.04Å; W674-K706 HydrophobicContact CZ2-CG 4.06Å; W674-K706 HydrophobicContact CZ3-CB 4.45Å; W674-K706 HydrophobicContact CZ3-CG 3.73Å; E678-K706 IonicContact OE1-NZ 2.69Å; E678-K706 PolarHBondContact OE1-NZ 2.94Å; E678-K706 IonicContact OE2-NZ 3.33Å; E678-K706 PolarHBondContact OE2-NZ 3.35Å; I702-K706 HydrophobicContact CG2-CD 4.21Å; I702-K706 WeakPolarHBondContact O-CB 3.25Å; I702-K706 VanDerWaalsContact O-CG 3.28Å; I702-K706 WeakPolarHBondContact O-CG 3.48Å; I702-K706 PolarHBondContact O-N 3.29Å; L703-K706 WeakPolarHBondContact O-CB 3.4Å; L703-K706 PolarHBondContact O-N 2.89Å; D704-K706 VanDerWaalsContact C-N 3.27Å; D704-K706 PolarHBondContact O-N 3.37Å; K706-L710 WeakPolarHBondContact O-CB 3.05Å; K706-L710 WeakPolarHBondContact O-CD1 3.43Å; K706-L710 WeakPolarHBondContact O-CG 3.31Å; K706-L710 PolarHBondContact O-N 3.41Å
707I93.8Very high92.8Very high96 Ų9673.8 Ų73.849%0.49237%0.369SS..Hα-helixtrans-64.2-43.5-176.4-74.5163.6000111.3L703 D704 T711L703-I707 WeakPolarHBondContact O-CB 3.45Å; L703-I707 WeakPolarHBondContact O-CD1 3.38Å; L703-I707 VanDerWaalsContact O-CG1 3.22Å; L703-I707 WeakPolarHBondContact O-CG1 3.34Å; L703-I707 PolarHBondContact O-N 3.03Å; D704-I707 PolarHBondContact O-N 2.91Å; I707-T711 WeakPolarHBondContact O-CB 3.44Å; I707-T711 PolarHBondContact O-N 3.46Å; I707-T711 PolarHBondContact O-OG1 3.12Å
708D93.3Very high92.8Very high111 Ų11176.4 Ų76.459%0.59438%0.375SS*.Hα-helixtrans-65.6-54.1179.7-79.1-17.1000111.6D704 L710 T711 E712D704-D708 PolarHBondContact O-N 2.94Å; D708-L710 PolarHBondContact O-N 2.97Å; D708-T711 WeakPolarHBondContact O-CA 3.22Å; D708-T711 VanDerWaalsContact O-CB 3.31Å; D708-T711 WeakPolarHBondContact O-CB 3.48Å; D708-T711 PolarHBondContact O-N 2.97Å; D708-E712 PolarHBondContact O-N 3.37Å
709I91.4Very high92.7Very high55 Ų5575.9 Ų75.928%0.28238%0.379SS..Hα-helixtrans-67.3-37.2-175.6-73.8166.2000111.7V667 W674 Q705 T711 L713V667-I709 HydrophobicContact CB-CG2 4.38Å; V667-I709 HydrophobicContact CG1-CG2 4.28Å; V667-I709 HydrophobicContact CG2-CG2 3.5Å; V667-I709 VanDerWaalsContact CG2-CG2 3.5Å; W674-I709 HydrophobicContact CH2-CB 4.01Å; W674-I709 HydrophobicContact CH2-CD1 4.49Å; W674-I709 HydrophobicContact CH2-CG2 3.86Å; W674-I709 HydrophobicContact CZ2-CB 4.22Å; W674-I709 HydrophobicContact CZ2-CD1 3.91Å; W674-I709 HydrophobicContact CZ2-CG2 4.35Å; Q705-I709 WeakPolarHBondContact O-CB 3.41Å; Q705-I709 PolarHBondContact O-N 3.17Å; I709-T711 VanDerWaalsContact C-N 3.33Å; I709-L713 PolarHBondContact O-N 3.17Å
710L91.9Very high92.5Very high90 Ų9075 Ų7547%0.47137%0.373SS..Hα-helixtrans-70.4-29171.8-68169.4000112.4V667 K706 D708 R714V667-L710 HydrophobicContact CG1-CD2 3.76Å; K706-L710 WeakPolarHBondContact O-CB 3.05Å; K706-L710 WeakPolarHBondContact O-CD1 3.43Å; K706-L710 WeakPolarHBondContact O-CG 3.31Å; K706-L710 PolarHBondContact O-N 3.41Å; D708-L710 PolarHBondContact O-N 2.97Å; L710-R714 WeakPolarHBondContact O-CB 3.49Å; L710-R714 PolarHBondContact O-N 3.46Å
711T93.6Very high92.2Very high44 Ų4476.9 Ų76.927%0.2738%0.375SS..Hα-helixtrans-69-45174.1-79.20000111.6I707 D708 I709 R714 D715I707-T711 WeakPolarHBondContact O-CB 3.44Å; I707-T711 PolarHBondContact O-N 3.46Å; I707-T711 PolarHBondContact O-OG1 3.12Å; D708-T711 WeakPolarHBondContact O-CA 3.22Å; D708-T711 VanDerWaalsContact O-CB 3.31Å; D708-T711 WeakPolarHBondContact O-CB 3.48Å; D708-T711 PolarHBondContact O-N 2.97Å; I709-T711 VanDerWaalsContact C-N 3.33Å; T711-R714 VanDerWaalsContact CG2-NH2 3.28Å; T711-R714 PolarHBondContact O-N 3.48Å; T711-R714 PolarHBondContact OG1-NH1 2.86Å; T711-D715 PolarHBondContact O-N 2.98Å
712E92.6Very high91.9Very high105 Ų10574.2 Ų74.249%0.49137%0.368SS..Hα-helixtrans-61.2-52.4177.5-166.5-166.7140.500111.2D708 R714 D715 K716D708-E712 PolarHBondContact O-N 3.37Å; E712-R714 VanDerWaalsContact C-N 3.33Å; E712-R714 PolarHBondContact O-N 3.45Å; E712-D715 PolarHBondContact O-N 3.05Å; E712-D715 VanDerWaalsContact O-N 3.12Å; E712-K716 HydrophobicContact CG-CD 4.38Å; E712-K716 WeakPolarHBondContact O-CG 3.48Å; E712-K716 PolarHBondContact O-N 2.97Å; E712-K716 WeakPolarHBondContact OE1-CE 3.46Å; E712-K716 IonicContact OE1-NZ 3.63Å; E712-K716 PolarHBondContact OE1-NZ 3.13Å
713L93.4Very high91.4Very high21 Ų2175.3 Ų75.311%0.1138%0.376CS..Hα-helixtrans-59.5-43.4178.1177.763.7000111.8D663 H664 V667 I709 D715 K716 V717D663-L713 HydrophobicContact CB-CD1 3.9Å; H664-L713 HydrophobicContact CB-CD1 4.2Å; H664-L713 HydrophobicContact CB-CD2 4.29Å; V667-L713 HydrophobicContact CB-CD2 3.92Å; V667-L713 HydrophobicContact CG1-CD2 4.12Å; V667-L713 HydrophobicContact CG2-CB 4.13Å; V667-L713 HydrophobicContact CG2-CD2 3.8Å; V667-L713 HydrophobicContact CG2-CG 4.48Å; I709-L713 PolarHBondContact O-N 3.17Å; L713-D715 VanDerWaalsContact C-N 3.27Å; L713-D715 PolarHBondContact O-N 3.14Å; L713-K716 PolarHBondContact O-N 3.03Å; L713-V717 HydrophobicContact CD1-CG2 4.22Å; L713-V717 HydrophobicContact CG-CG2 4.47Å; L713-V717 WeakPolarHBondContact O-CB 3.43Å; L713-V717 VanDerWaalsContact O-CG2 3.25Å; L713-V717 WeakPolarHBondContact O-CG2 3.43Å; L713-V717 PolarHBondContact O-N 3.32Å
714R95Very high90.7Very high113 Ų11374.9 Ų74.943%0.42637%0.374SS..Hα-helixtrans-56.4-42.3176.1175.3-160.974.1-145.91.8111.6L710 T711 E712 V717 K718L710-R714 WeakPolarHBondContact O-CB 3.49Å; L710-R714 PolarHBondContact O-N 3.46Å; T711-R714 VanDerWaalsContact CG2-NH2 3.28Å; T711-R714 PolarHBondContact O-N 3.48Å; T711-R714 PolarHBondContact OG1-NH1 2.86Å; E712-R714 VanDerWaalsContact C-N 3.33Å; E712-R714 PolarHBondContact O-N 3.45Å; R714-V717 PolarHBondContact O-N 3.31Å; R714-K718 WeakPolarHBondContact O-CG 3.36Å; R714-K718 PolarHBondContact O-N 3.48Å
715D92.8Very high90Very high62 Ų6275.2 Ų75.233%0.33237%0.372SS..Hα-helixtrans-83-29.9-173.8-67.3-13.7000112.4T711 E712 L713 K718 S719T711-D715 PolarHBondContact O-N 2.98Å; E712-D715 PolarHBondContact O-N 3.05Å; E712-D715 VanDerWaalsContact O-N 3.12Å; L713-D715 VanDerWaalsContact C-N 3.27Å; L713-D715 PolarHBondContact O-N 3.14Å; D715-K718 WeakPolarHBondContact O-CB 3.32Å; D715-K718 PolarHBondContact O-N 3.2Å; D715-K718 WeakPolarHBondContact OD1-CD 3.13Å; D715-K718 WeakPolarHBondContact OD1-CE 3.22Å; D715-K718 IonicContact OD1-NZ 2.75Å; D715-K718 PolarHBondContact OD1-NZ 3.04Å; D715-S719 PolarHBondContact O-N 2.83Å
716K90.7Very high89.3Confident66 Ų6676.5 Ų76.529%0.28738%0.378SS..Hα-helixtrans-61.2-44.5163.2-71.3177.1168.8174.20112.2V660 D663 E712 L713 K718 S719 F720V660-K716 HydrophobicContact CG2-CB 4.37Å; D663-K716 IonicContact OD1-NZ 3.07Å; D663-K716 WeakPolarHBondContact OD2-CD 3.32Å; D663-K716 WeakPolarHBondContact OD2-CE 3.33Å; D663-K716 IonicContact OD2-NZ 2.76Å; D663-K716 PolarHBondContact OD2-NZ 2.96Å; E712-K716 HydrophobicContact CG-CD 4.38Å; E712-K716 WeakPolarHBondContact O-CG 3.48Å; E712-K716 PolarHBondContact O-N 2.97Å; E712-K716 WeakPolarHBondContact OE1-CE 3.46Å; E712-K716 IonicContact OE1-NZ 3.63Å; E712-K716 PolarHBondContact OE1-NZ 3.13Å; L713-K716 PolarHBondContact O-N 3.03Å; K716-K718 VanDerWaalsContact C-N 3.34Å; K716-K718 PolarHBondContact O-N 2.69Å; K716-S719 WeakPolarHBondContact O-CB 3.42Å; K716-S719 PolarHBondContact O-N 3.44Å; K716-S719 VanDerWaalsContact O-N 3.17Å; K716-F720 PolarHBondContact O-N 3.11Å
717V90.8Very high88.6Confident67 Ų6777 Ų7741%0.40638%0.381SS..Hα-helixtrans-62.7-36.9174.3167.90000112.1V660 L713 R714 R721V660-V717 HydrophobicContact CG1-CG2 3.64Å; L713-V717 HydrophobicContact CD1-CG2 4.22Å; L713-V717 HydrophobicContact CG-CG2 4.47Å; L713-V717 WeakPolarHBondContact O-CB 3.43Å; L713-V717 VanDerWaalsContact O-CG2 3.25Å; L713-V717 WeakPolarHBondContact O-CG2 3.43Å; L713-V717 PolarHBondContact O-N 3.32Å; R714-V717 PolarHBondContact O-N 3.31Å; V717-R721 VanDerWaalsContact O-CB 3.29Å; V717-R721 WeakPolarHBondContact O-CB 3.43Å; V717-R721 PolarHBondContact O-N 3.16Å; V717-R721 VanDerWaalsContact O-N 3.09Å
718K91.8Very high87.7Confident119 Ų11977.3 Ų77.352%0.51738%0.381SS..Hα-helixtrans-63.3-44.8171.4-72.9173.5-169.3163.50111.8R714 D715 K716 R721 S722R714-K718 WeakPolarHBondContact O-CG 3.36Å; R714-K718 PolarHBondContact O-N 3.48Å; D715-K718 WeakPolarHBondContact O-CB 3.32Å; D715-K718 PolarHBondContact O-N 3.2Å; D715-K718 WeakPolarHBondContact OD1-CD 3.13Å; D715-K718 WeakPolarHBondContact OD1-CE 3.22Å; D715-K718 IonicContact OD1-NZ 2.75Å; D715-K718 PolarHBondContact OD1-NZ 3.04Å; K716-K718 VanDerWaalsContact C-N 3.34Å; K716-K718 PolarHBondContact O-N 2.69Å; K718-R721 PolarHBondContact O-N 3.25Å; K718-S722 PolarHBondContact O-N 3.31Å
719S89.5Confident86.6Confident62 Ų6277.6 Ų77.643%0.43438%0.378SS..Hα-helixtrans-60-54.7179.41740000111.2M656 D715 K716 R721 S722 T723M656-S719 WeakPolarHBondContact CE-OG 3.32Å; D715-S719 PolarHBondContact O-N 2.83Å; K716-S719 WeakPolarHBondContact O-CB 3.42Å; K716-S719 PolarHBondContact O-N 3.44Å; K716-S719 VanDerWaalsContact O-N 3.17Å; S719-R721 VanDerWaalsContact C-N 3.25Å; S719-R721 PolarHBondContact O-N 2.89Å; S719-S722 WeakPolarHBondContact O-CA 3.05Å; S719-S722 WeakPolarHBondContact O-CB 3.18Å; S719-S722 VanDerWaalsContact O-CB 3.32Å; S719-S722 PolarHBondContact O-N 3.22Å; S719-T723 PolarHBondContact O-N 2.93Å; S719-T723 PolarHBondContact O-OG1 3.32Å; S719-T723 VanDerWaalsContact O-N 3.08Å
720F89.9Confident85.5Confident30 Ų3076.9 Ų76.913%0.13238%0.381CS..Hα-helixtrans-55.5-38.9176.1175.8-122.2000112.7L653 M656 E657 V660 K716 S722 T723 L724L653-F720 HydrophobicContact CD2-CE2 3.91Å; L653-F720 HydrophobicContact CD2-CZ 4.46Å; L653-F720 HydrophobicContact CG-CE2 4.12Å; M656-F720 HydrophobicContact CB-CD2 3.79Å; M656-F720 HydrophobicContact CB-CE2 4.35Å; M656-F720 HydrophobicContact CE-CB 4.29Å; E657-F720 HydrophobicContact CB-CE2 3.78Å; E657-F720 HydrophobicContact CB-CZ 3.59Å; E657-F720 HydrophobicContact CG-CE1 4.45Å; E657-F720 HydrophobicContact CG-CE2 4.5Å; E657-F720 HydrophobicContact CG-CZ 3.81Å; V660-F720 HydrophobicContact CG2-CB 3.99Å; V660-F720 HydrophobicContact CG2-CG 4.35Å; K716-F720 PolarHBondContact O-N 3.11Å; F720-S722 VanDerWaalsContact C-N 3.35Å; F720-S722 PolarHBondContact O-N 3.03Å; F720-T723 PolarHBondContact O-N 3.03Å; F720-L724 HydrophobicContact CE2-CG 4.22Å; F720-L724 PolarHBondContact O-N 3.24Å; F720-L724 WeakPolarHBondContact O-CB 3.1Å; F720-L724 HydrophobicContact CZ-CG 4.21Å; F720-L724 HydrophobicContact CZ-CD1 3.63Å; F720-L724 HydrophobicContact CG-CD1 4.35Å; F720-L724 HydrophobicContact CE2-CD1 4.05Å; F720-L724 HydrophobicContact CE1-CD1 3.56Å; F720-L724 HydrophobicContact CD2-CD1 4.39Å; F720-L724 HydrophobicContact CD1-CD1 3.94Å
721R87.6Confident84.1Confident164 Ų16475.2 Ų75.262%0.61938%0.377SS*.Hα-helixtrans-66.1-31.3174.4-179.1176.7169.4-171-3.8113.5V717 K718 S719 Q725V717-R721 VanDerWaalsContact O-CB 3.29Å; V717-R721 WeakPolarHBondContact O-CB 3.43Å; V717-R721 PolarHBondContact O-N 3.16Å; V717-R721 VanDerWaalsContact O-N 3.09Å; K718-R721 PolarHBondContact O-N 3.25Å; S719-R721 VanDerWaalsContact C-N 3.25Å; S719-R721 PolarHBondContact O-N 2.89Å; R721-Q725 WeakPolarHBondContact O-CG 3.27Å; R721-Q725 PolarHBondContact O-N 3.27Å
722S87Confident82.7Confident54 Ų5479.4 Ų79.438%0.37839%0.391SS..Hα-helixtrans-68-51.1172.8-158.10000110.1K718 S719 F720 L724 Q725 E726K718-S722 PolarHBondContact O-N 3.31Å; S719-S722 WeakPolarHBondContact O-CA 3.05Å; S719-S722 WeakPolarHBondContact O-CB 3.18Å; S719-S722 VanDerWaalsContact O-CB 3.32Å; S719-S722 PolarHBondContact O-N 3.22Å; F720-S722 VanDerWaalsContact C-N 3.35Å; F720-S722 PolarHBondContact O-N 3.03Å; S722-L724 VanDerWaalsContact C-N 3.29Å; S722-L724 PolarHBondContact O-N 3.1Å; S722-Q725 CarbonylContact O-C 3.54Å; S722-Q725 WeakPolarHBondContact O-CA 3.48Å; S722-Q725 WeakPolarHBondContact O-CB 3.47Å; S722-Q725 PolarHBondContact O-N 2.97Å; S722-E726 PolarHBondContact OG-OE1 2.82Å; S722-E726 PolarHBondContact O-N 2.91Å; S722-E726 WeakPolarHBondContact O-CG 3.36Å; S722-E726 WeakPolarHBondContact CB-OE1 3.41Å; S722-E726 VanDerWaalsContact C-OE1 3.3Å
723T81Confident81.2Confident38 Ų3881.8 Ų81.823%0.23340%0.402CS..Hα-helixtrans-57.1-40.4178.6-46.30000112.2L653 M656 S719 F720 Q725 E726 E727L653-T723 HydrophobicContact CD1-CG2 4.45Å; M656-T723 HydrophobicContact SD-CG2 4.11Å; S719-T723 PolarHBondContact O-N 2.93Å; S719-T723 PolarHBondContact O-OG1 3.32Å; S719-T723 VanDerWaalsContact O-N 3.08Å; F720-T723 PolarHBondContact O-N 3.03Å; T723-Q725 PolarHBondContact O-N 3.03Å; T723-E726 PolarHBondContact O-N 3.26Å; T723-E727 PolarHBondContact O-N 3.37Å
724L78.7Confident79.6Confident69 Ų6984.6 Ų84.636%0.36142%0.417SS..Hα-helixtrans-59.5-41.2170.7-88.7163.6000113.4L653 F720 S722 E726 E728L653-L724 HydrophobicContact CD1-CD2 4.02Å; L653-L724 HydrophobicContact CD1-CG 4.18Å; L653-L724 HydrophobicContact CD2-CD2 4.06Å; L653-L724 HydrophobicContact CD2-CG 4.46Å; F720-L724 HydrophobicContact CE2-CG 4.22Å; F720-L724 PolarHBondContact O-N 3.24Å; F720-L724 WeakPolarHBondContact O-CB 3.1Å; F720-L724 HydrophobicContact CZ-CG 4.21Å; F720-L724 HydrophobicContact CZ-CD1 3.63Å; F720-L724 HydrophobicContact CG-CD1 4.35Å; F720-L724 HydrophobicContact CE2-CD1 4.05Å; F720-L724 HydrophobicContact CE1-CD1 3.56Å; F720-L724 HydrophobicContact CD2-CD1 4.39Å; F720-L724 HydrophobicContact CD1-CD1 3.94Å; S722-L724 VanDerWaalsContact C-N 3.29Å; S722-L724 PolarHBondContact O-N 3.1Å; L724-E726 VanDerWaalsContact C-N 3.32Å; L724-E728 WeakPolarHBondContact O-CB 3.25Å; L724-E728 PolarHBondContact O-N 3.48Å
725Q79.3Confident77.3Confident97 Ų9785.8 Ų85.845%0.45343%0.431SS..Hα-helixtrans-74.3-25177.9-71.9-176.3-21.900112.6R721 S722 T723 Q729R721-Q725 WeakPolarHBondContact O-CG 3.27Å; R721-Q725 PolarHBondContact O-N 3.27Å; S722-Q725 CarbonylContact O-C 3.54Å; S722-Q725 WeakPolarHBondContact O-CA 3.48Å; S722-Q725 WeakPolarHBondContact O-CB 3.47Å; S722-Q725 PolarHBondContact O-N 2.97Å; T723-Q725 PolarHBondContact O-N 3.03Å; Q725-Q729 PolarHBondContact O-NE2 3.43Å; Q725-Q729 PolarHBondContact O-N 3.33Å; Q725-Q729 WeakPolarHBondContact O-CG 3.4Å; Q725-Q729 WeakPolarHBondContact O-CB 3.42Å; Q725-Q729 VanDerWaalsContact O-CG 3.25Å
726E78.4Confident75.1Confident107 Ų10788.1 Ų88.150%0.545%0.45SS..Hα-helixtrans-77.2-42.7174.9-69.8158.8-130.500111.1S722 T723 L724 Q729 A730S722-E726 PolarHBondContact OG-OE1 2.82Å; S722-E726 PolarHBondContact O-N 2.91Å; S722-E726 WeakPolarHBondContact O-CG 3.36Å; S722-E726 WeakPolarHBondContact CB-OE1 3.41Å; S722-E726 VanDerWaalsContact C-OE1 3.3Å; T723-E726 PolarHBondContact O-N 3.26Å; L724-E726 VanDerWaalsContact C-N 3.32Å; E726-Q729 PolarHBondContact O-N 3.49Å; E726-A730 PolarHBondContact O-N 2.9Å
727E78.7Confident72.6Confident47 Ų4794.6 Ų94.622%0.2248%0.478CS..Hα-helixtrans-58-50.6168.9-173.2-73.8143.300110.8F646 V650 L653 T723 Q729 A730 S731F646-E727 HydrophobicContact CE2-CG 4.22Å; F646-E727 VanDerWaalsContact CE2-OE1 3.31Å; F646-E727 WeakPolarHBondContact CE2-OE1 3.17Å; F646-E727 VanDerWaalsContact CZ-OE1 3.27Å; F646-E727 WeakPolarHBondContact CZ-OE1 3.34Å; V650-E727 HydrophobicContact CG2-CG 4.33Å; L653-E727 HydrophobicContact CD1-CB 3.84Å; L653-E727 HydrophobicContact CD1-CG 4.2Å; T723-E727 PolarHBondContact O-N 3.37Å; E727-Q729 PolarHBondContact O-N 2.88Å; E727-A730 PolarHBondContact O-N 3.08Å; E727-S731 VanDerWaalsContact O-CB 3.27Å; E727-S731 WeakPolarHBondContact O-CB 3.08Å; E727-S731 PolarHBondContact O-N 2.99Å; E727-S731 WeakPolarHBondContact OE1-CB 3.4Å; E727-S731 PolarHBondContact OE1-OG 3.26Å
728E73.4Confident70.1Confident103 Ų103102.4 Ų102.448%0.48150%0.5SS..Hα-helixtrans-63.3-20.6-177.1-151.5-146.8155.400111.8L724 K732L724-E728 WeakPolarHBondContact O-CB 3.25Å; L724-E728 PolarHBondContact O-N 3.48Å; E728-K732 IonicContact OE2-NZ 2.66Å; E728-K732 PolarHBondContact OE2-NZ 2.9Å; E728-K732 PolarHBondContact OE1-NZ 2.97Å; E728-K732 IonicContact OE1-NZ 3.72Å; E728-K732 WeakPolarHBondContact OE1-CE 3.45Å; E728-K732 PolarHBondContact O-NZ 3.04Å; E728-K732 WeakPolarHBondContact O-CG 3.48Å; E728-K732 WeakPolarHBondContact O-CE 3.38Å; E728-K732 WeakPolarHBondContact O-CD 3.32Å; E728-K732 VanDerWaalsContact OE1-CE 3.22Å
729Q71.4Confident67.6Low116 Ų116102.7 Ų102.754%0.54251%0.514SS..Hα-helixtrans-87.6-35173.1-77.717585.900113.4Q725 E726 E727 Q733Q725-Q729 PolarHBondContact O-NE2 3.43Å; Q725-Q729 PolarHBondContact O-N 3.33Å; Q725-Q729 WeakPolarHBondContact O-CG 3.4Å; Q725-Q729 WeakPolarHBondContact O-CB 3.42Å; Q725-Q729 VanDerWaalsContact O-CG 3.25Å; E726-Q729 PolarHBondContact O-N 3.49Å; E727-Q729 PolarHBondContact O-N 2.88Å; Q729-Q733 WeakPolarHBondContact O-CG 3.41Å; Q729-Q733 PolarHBondContact O-NE2 3.27Å
730A67.2Low65.2Low41 Ų41111.2 Ų111.234%0.33954%0.537SS..Hα-helixtrans-67.5-46.917300000110.9E726 E727 K732 Q733 I734E726-A730 PolarHBondContact O-N 2.9Å; E727-A730 PolarHBondContact O-N 3.08Å; A730-K732 VanDerWaalsContact C-N 3.28Å; A730-K732 PolarHBondContact O-N 2.89Å; A730-Q733 PolarHBondContact O-N 3.23Å; A730-Q733 WeakPolarHBondContact O-CB 3.5Å; A730-Q733 WeakPolarHBondContact O-CA 3.41Å; A730-I734 PolarHBondContact O-N 3.22Å
731S62.8Low62.7Low55 Ų55114.6 Ų114.639%0.38557%0.571SS.*Hα-helixtrans-52.8-42.6176.3-162.80000112.4E727 Q733 I734E727-S731 VanDerWaalsContact O-CB 3.27Å; E727-S731 WeakPolarHBondContact O-CB 3.08Å; E727-S731 PolarHBondContact O-N 2.99Å; E727-S731 WeakPolarHBondContact OE1-CB 3.4Å; E727-S731 PolarHBondContact OE1-OG 3.26Å; S731-Q733 PolarHBondContact O-N 3.48Å; S731-I734 PolarHBondContact O-N 2.92Å
732K64.3Low60.1Low132 Ų132118.5 Ų118.557%0.57460%0.602SS**THydrogen-bonded Turntrans-67.7-15.9176-71.9166.2-1641520114.6E728 A730E728-K732 IonicContact OE2-NZ 2.66Å; E728-K732 PolarHBondContact OE2-NZ 2.9Å; E728-K732 PolarHBondContact OE1-NZ 2.97Å; E728-K732 IonicContact OE1-NZ 3.72Å; E728-K732 WeakPolarHBondContact OE1-CE 3.45Å; E728-K732 PolarHBondContact O-NZ 3.04Å; E728-K732 WeakPolarHBondContact O-CG 3.48Å; E728-K732 WeakPolarHBondContact O-CE 3.38Å; E728-K732 WeakPolarHBondContact O-CD 3.32Å; E728-K732 VanDerWaalsContact OE1-CE 3.22Å; A730-K732 VanDerWaalsContact C-N 3.28Å; A730-K732 PolarHBondContact O-N 2.89Å
733Q60.6Low58.8Low155 Ų155121.8 Ų121.872%0.72461%0.614SS**THydrogen-bonded Turntrans-92.1-18.1176.2-67.5173.267.600112.6Q729 A730 S731 N735Q729-Q733 WeakPolarHBondContact O-CG 3.41Å; Q729-Q733 PolarHBondContact O-NE2 3.27Å; A730-Q733 PolarHBondContact O-N 3.23Å; A730-Q733 WeakPolarHBondContact O-CB 3.5Å; A730-Q733 WeakPolarHBondContact O-CA 3.41Å; S731-Q733 PolarHBondContact O-N 3.48Å; Q733-N735 VanDerWaalsContact C-N 3.29Å; Q733-N735 PolarHBondContact O-N 3.04Å
734I61Low57.6Low80 Ų80126.2 Ų126.241%0.4163%0.634SS.*  trans-78.578177.1-57.4172.7000109.5F646 A730 S731 P736F646-I734 HydrophobicContact CB-CD1 4.02Å; F646-I734 HydrophobicContact CD1-CD1 4.13Å; F646-I734 HydrophobicContact CD2-CD1 3.53Å; F646-I734 HydrophobicContact CE2-CD1 4Å; F646-I734 HydrophobicContact CG-CD1 3.61Å; F646-I734 HydrophobicContact CZ-CD1 4.48Å; A730-I734 PolarHBondContact O-N 3.22Å; S731-I734 PolarHBondContact O-N 2.92Å; I734-P736 WeakPolarHBondContact O-CD 3.48Å
735N46.2Very low56.5Low137 Ų137129.3 Ų129.373%0.73365%0.649SS**  trans-83.1115.7-176.3-167.9-1.3000111.5Q733 K737Q733-N735 VanDerWaalsContact C-N 3.29Å; Q733-N735 PolarHBondContact O-N 3.04Å; N735-K737 PolarHBondContact O-N 2.61Å; N735-K737 VanDerWaalsContact O-N 3.1Å
736P46.8Very low55.1Low111 Ų111131.2 Ų131.272%0.72166%0.66SS**  trans-70.4108.9-173.827.5-34.9000112I734 R738I734-P736 WeakPolarHBondContact O-CD 3.48Å; P736-R738 PolarHBondContact O-N 2.66Å
737K38.7Very low53.7Low202 Ų202132.8 Ų132.888%0.87867%0.67SS**  trans-62.1108168.8-73.4178.3-178.7169.10109.3N735N735-K737 PolarHBondContact O-N 2.61Å; N735-K737 VanDerWaalsContact O-N 3.1Å
738R37.1Very low52Low231 Ų231138.5 Ų138.587%0.87270%0.7SS**PPolyproline II helixtrans-52.8130.1166.6-76.8-177.2172.6-176.1-3.4109.6P736 R740P736-R738 PolarHBondContact O-N 2.66Å; R738-R740 PolarHBondContact O-N 3.25Å
739P39Very low50.5Low125 Ų125141 Ų14181%0.81272%0.716SS**PPolyproline II helixtrans-54138.5164.5-24.534.6000110
740R39.3Very low48.9Very low242 Ų242142.9 Ų142.991%0.91373%0.729SS**PPolyproline II helixtrans-70.1138.4163.6-81.4-178.7168175.2-4.3107.8R738 L742R738-R740 PolarHBondContact O-N 3.25Å; R740-L742 PolarHBondContact O-N 3.13Å
741A38.2Very low47.3Very low101 Ų101151.4 Ų151.484%0.83576%0.762SS**PPolyproline II helixtrans-67.9131.4169.800000110
742L34Very low45.9Very low246 Ų246160.2 Ų160.2100%1.28880%0.796SS**  trans-132.80156.5-79.7175.1000105.8R740R740-L742 PolarHBondContact O-N 3.13Å

Retrieved 742 of 742 residues in 406.6 ms (Link to these results)

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