A0A3Q0KCS6_SCHMA Loading...

T-complex protein 1 subunit alpha

AlphaFold DB , UniProt , Accession A0A3Q0KCS6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 545 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
1M44.6Very low73.9Confident234 Ų23498.9 Ų98.9100%1.15356%0.561SS**  0117.40-81.2177.1175.500107.2T3M1-T3 PolarHBondContact O-N 3.15Å; M1-T3 VanDerWaalsContact O-N 3.12Å
2L54.1Low75.1Confident149 Ų14999.2 Ų99.278%0.7855%0.554SS**  trans-62.6112.4167.1-77.3157.6000106.4L4L2-L4 HydrophobicContact CB-CD1 4.41Å; L2-L4 PolarHBondContact O-N 3.39Å
3T59.2Low76.3Confident142 Ų14295.6 Ų95.687%0.87154%0.54SS*.  trans-71.676.4177.745.20000108.9M1M1-T3 PolarHBondContact O-N 3.15Å; M1-T3 VanDerWaalsContact O-N 3.12Å
4L61.8Low77.5Confident70 Ų7088.8 Ų88.837%0.36650%0.501SS..  trans-70.6133.6161.5-78.4135.2000107L2 G6 I528L2-L4 HydrophobicContact CB-CD1 4.41Å; L2-L4 PolarHBondContact O-N 3.39Å; L4-G6 PolarHBondContact O-N 3.1Å; L4-I528 HydrophobicContact CD2-CG2 4Å
5G74.4Confident78.4Confident56 Ų5686.2 Ų86.258%0.57748%0.48SS*.SBendtrans-69.447.9172.300000112.3K531G5-K531 WeakPolarHBondContact O-CB 3.07Å; G5-K531 WeakPolarHBondContact O-CG 3.26Å; G5-K531 PolarHBondContact O-N 3.36Å
6G81.5Confident79.2Confident22 Ų2287.3 Ų87.323%0.22748%0.479CS..EExtended strand (participates in β ladder)trans-173.6-179.1-165.600000113.7L4 K529L4-G6 PolarHBondContact O-N 3.1Å; G6-K529 CarbonylContact C-O 3.45Å; G6-K529 WeakPolarHBondContact CA-O 3.45Å
7E83.9Confident80.1Confident143 Ų14386.9 Ų86.967%0.66847%0.472SS*.EExtended strand (participates in β ladder)trans-99.6134.5175.1-67178.9178.500109.6K529E7-K529 PolarHBondContact N-O 3.38Å; E7-K529 PolarHBondContact O-N 3.26Å
8R88.1Confident80.9Confident129 Ų12982.2 Ų82.249%0.48745%0.447SS..EExtended strand (participates in β ladder)trans-120118.3173.5178.6176.8175.7-158.8-0.2109.4D526 L527 I528R8-D526 IonicContact CZ-OD2 3.53Å; R8-D526 VanDerWaalsContact CZ-OD2 3.24Å; R8-D526 IonicContact NE-OD1 2.71Å; R8-D526 IonicContact NE-OD2 2.71Å; R8-D526 PolarHBondContact NE-OD2 3.03Å; R8-D526 VanDerWaalsContact NE-OD2 3.1Å; R8-D526 IonicContact NH2-OD1 3.63Å; R8-D526 IonicContact NH2-OD2 2.63Å; R8-D526 PolarHBondContact NH2-OD2 3.3Å; R8-L527 WeakPolarHBondContact CA-O 3.4Å; R8-I528 HydrophobicContact CB-CG1 4.44Å; R8-I528 HydrophobicContact CG-CG1 4.07Å
9T88.3Confident81.6Confident50 Ų5078.7 Ų78.731%0.30743%0.428SS..EExtended strand (participates in β ladder)trans-102.6141.9164.525.60000108.7V14 L527T9-V14 WeakPolarHBondContact O-CG2 3.38Å; T9-L527 PolarHBondContact N-O 3.18Å; T9-L527 PolarHBondContact O-N 3.48Å
10S89Confident82.3Confident68 Ų6880.6 Ų80.648%0.47644%0.437SS..EExtended strand (participates in β ladder)trans-139.3148.7-17360.90000112.8S13 D525 D526S10-S13 PolarHBondContact O-OG 3.28Å; S10-S13 VanDerWaalsContact O-OG 3.13Å; S10-D525 CarbonylContact C-O 3.43Å; S10-D526 WeakPolarHBondContact CA-OD1 3.5Å; S10-D526 WeakPolarHBondContact CB-OD1 3.34Å
11G87.7Confident82.9Confident25 Ų2577.4 Ų77.426%0.25842%0.422SS..THydrogen-bonded Turntrans79.5-132.216900000113.9S13 V14 R15 D525G11-S13 VanDerWaalsContact C-N 3.32Å; G11-S13 PolarHBondContact O-N 3.11Å; G11-V14 PolarHBondContact O-N 2.94Å; G11-R15 PolarHBondContact O-N 3.4Å; G11-D525 PolarHBondContact N-O 2.73Å
12E88.2Confident85.3Confident102 Ų10266.2 Ų66.248%0.47737%0.367SS..Hα-helixtrans-66-33.4-173.1-168.2-174.9151.600113.1V14 R15 K16E12-V14 PolarHBondContact O-N 2.87Å; E12-R15 PolarHBondContact O-N 3.38Å; E12-K16 HydrophobicContact CG-CD 4.27Å; E12-K16 PolarHBondContact O-N 3.4Å; E12-K16 WeakPolarHBondContact OE1-CE 3.24Å; E12-K16 IonicContact OE1-NZ 3.24Å; E12-K16 PolarHBondContact OE1-NZ 2.97Å
13S91.2Very high87.3Confident53 Ų5360.4 Ų60.437%0.37134%0.338SS..Hα-helixtrans-60.8-44.6179.456.50000111.9S10 G11 K16 Q17S10-S13 PolarHBondContact O-OG 3.28Å; S10-S13 VanDerWaalsContact O-OG 3.13Å; G11-S13 VanDerWaalsContact C-N 3.32Å; G11-S13 PolarHBondContact O-N 3.11Å; S13-K16 PolarHBondContact O-N 3.04Å; S13-Q17 WeakPolarHBondContact O-CB 3.38Å; S13-Q17 VanDerWaalsContact O-CG 3.28Å; S13-Q17 WeakPolarHBondContact O-CG 3.23Å; S13-Q17 PolarHBondContact O-N 3.26Å
14V92.7Very high89Confident0 Ų056.5 Ų56.50%032%0.317CS..Hα-helixtrans-63.4-44.2177.81780000110.9T9 G11 E12 K16 Q17 N18 I524 L527T9-V14 WeakPolarHBondContact O-CG2 3.38Å; G11-V14 PolarHBondContact O-N 2.94Å; E12-V14 PolarHBondContact O-N 2.87Å; V14-K16 PolarHBondContact O-N 3.32Å; V14-Q17 PolarHBondContact O-N 3.34Å; V14-N18 WeakPolarHBondContact O-CB 3.47Å; V14-N18 PolarHBondContact O-N 3.2Å; V14-N18 PolarHBondContact O-ND2 3.21Å; V14-I524 HydrophobicContact CG1-CG2 3.94Å; V14-L527 HydrophobicContact CG1-CB 3.95Å; V14-L527 HydrophobicContact CG2-CB 4Å
15R90.5Very high90.6Very high50 Ų5053.7 Ų53.719%0.18930%0.302CS..Hα-helixtrans-61.9-45.9178.4-69.7-169.6-64.5-903.4111.9G11 E12 Q17 N18 V19G11-R15 PolarHBondContact O-N 3.4Å; E12-R15 PolarHBondContact O-N 3.38Å; R15-Q17 PolarHBondContact O-N 3.28Å; R15-N18 PolarHBondContact O-N 2.9Å; R15-V19 VanDerWaalsContact O-CG2 3.23Å; R15-V19 WeakPolarHBondContact O-CG2 3.35Å; R15-V19 PolarHBondContact O-N 3.23Å
16K91.9Very high91.6Very high104 Ų10451 Ų5145%0.45228%0.275SS..Hα-helixtrans-62-41.5175.7-77.1178.6167.4169.40112.3E12 S13 V14 V19 L20E12-K16 HydrophobicContact CG-CD 4.27Å; E12-K16 PolarHBondContact O-N 3.4Å; E12-K16 WeakPolarHBondContact OE1-CE 3.24Å; E12-K16 IonicContact OE1-NZ 3.24Å; E12-K16 PolarHBondContact OE1-NZ 2.97Å; S13-K16 PolarHBondContact O-N 3.04Å; V14-K16 PolarHBondContact O-N 3.32Å; K16-V19 PolarHBondContact O-N 3.43Å; K16-L20 VanDerWaalsContact O-CB 3.29Å; K16-L20 WeakPolarHBondContact O-CB 3.48Å; K16-L20 PolarHBondContact O-N 2.71Å
17Q93.7Very high92.2Very high80 Ų8054.1 Ų54.137%0.37429%0.286SS..Hα-helixtrans-61.4-45.7174.7-76174.9-13.100111.7S13 V14 R15 V19 L20 A21S13-Q17 WeakPolarHBondContact O-CB 3.38Å; S13-Q17 VanDerWaalsContact O-CG 3.28Å; S13-Q17 WeakPolarHBondContact O-CG 3.23Å; S13-Q17 PolarHBondContact O-N 3.26Å; V14-Q17 PolarHBondContact O-N 3.34Å; R15-Q17 PolarHBondContact O-N 3.28Å; Q17-V19 PolarHBondContact O-N 3.19Å; Q17-L20 PolarHBondContact O-N 3.05Å; Q17-A21 WeakPolarHBondContact O-CB 3.43Å; Q17-A21 PolarHBondContact O-N 3.45Å
18N94.8Very high92.8Very high3 Ų350.1 Ų50.12%0.01627%0.269CS..Hα-helixtrans-60.3-45.9177.3-72.1-19000112.1V14 R15 A21 A22 H66 A68 I521V14-N18 WeakPolarHBondContact O-CB 3.47Å; V14-N18 PolarHBondContact O-N 3.2Å; V14-N18 PolarHBondContact O-ND2 3.21Å; R15-N18 PolarHBondContact O-N 2.9Å; N18-A21 PolarHBondContact O-N 3.32Å; N18-A22 WeakPolarHBondContact O-CB 3.33Å; N18-A22 PolarHBondContact O-N 3.03Å; N18-H66 PolarHBondContact OD1-CE1 3Å; N18-H66 VanDerWaalsContact OD1-CE1 3.31Å; N18-A68 HydrophobicContact CB-CB 4.02Å; N18-I521 HydrophobicContact CB-CG2 3.73Å
19V94.9Very high93.1Very high15 Ų1544 Ų449%0.09125%0.246CC..Hα-helixtrans-65.7-42.1178.9174.20000110.7R15 K16 Q17 A22 C23 L98 D102R15-V19 VanDerWaalsContact O-CG2 3.23Å; R15-V19 WeakPolarHBondContact O-CG2 3.35Å; R15-V19 PolarHBondContact O-N 3.23Å; K16-V19 PolarHBondContact O-N 3.43Å; Q17-V19 PolarHBondContact O-N 3.19Å; V19-A22 PolarHBondContact O-N 2.97Å; V19-C23 WeakPolarHBondContact O-CB 3.45Å; V19-C23 PolarHBondContact O-N 3.17Å; V19-C23 PolarHBondContact O-SG 3.17Å; V19-L98 HydrophobicContact CG2-CB 4.43Å; V19-D102 HydrophobicContact CG1-CB 4.36Å; V19-D102 HydrophobicContact CG2-CB 3.9Å
20L95.5Very high93.4Very high116 Ų11644.3 Ų44.361%0.60724%0.243SC*.Hα-helixtrans-61.2-48.6175.8-177.466.7000111K16 Q17 A22 C23 S24K16-L20 VanDerWaalsContact O-CB 3.29Å; K16-L20 WeakPolarHBondContact O-CB 3.48Å; K16-L20 PolarHBondContact O-N 2.71Å; Q17-L20 PolarHBondContact O-N 3.05Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.39Å; L20-C23 PolarHBondContact O-N 2.87Å; L20-S24 PolarHBondContact O-N 2.8Å; L20-S24 PolarHBondContact O-OG 2.96Å; L20-S24 VanDerWaalsContact O-OG 3.05Å
21A95.1Very high93.7Very high14 Ų1443.9 Ų43.912%0.11624%0.237CC..Hα-helixtrans-59.1-45.1177.400000111.6Q17 N18 S24 I25 H66 A69Q17-A21 WeakPolarHBondContact O-CB 3.43Å; Q17-A21 PolarHBondContact O-N 3.45Å; N18-A21 PolarHBondContact O-N 3.32Å; A21-S24 PolarHBondContact O-N 3.34Å; A21-I25 WeakPolarHBondContact O-CG1 3.47Å; A21-I25 PolarHBondContact O-N 3.17Å; A21-I25 VanDerWaalsContact O-N 3.15Å; A21-H66 HydrophobicContact CB-CB 4.3Å; A21-A69 HydrophobicContact CB-CB 4.36Å
22A95.2Very high93.9Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-61.6-43.9176.100000112.8N18 V19 L20 I25 A26 L72 L98N18-A22 WeakPolarHBondContact O-CB 3.33Å; N18-A22 PolarHBondContact O-N 3.03Å; V19-A22 PolarHBondContact O-N 2.97Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.39Å; A22-I25 PolarHBondContact O-N 3.25Å; A22-A26 PolarHBondContact O-N 3.45Å; A22-L72 HydrophobicContact CB-CD1 3.67Å; A22-L98 HydrophobicContact CB-CD1 3.52Å
23C95.4Very high94.2Very high26 Ų2638.4 Ų38.418%0.17621%0.205CC..Hα-helixtrans-66.8-37.2178.3-71.50000112V19 L20 A26 N27V19-C23 WeakPolarHBondContact O-CB 3.45Å; V19-C23 PolarHBondContact O-N 3.17Å; V19-C23 PolarHBondContact O-SG 3.17Å; L20-C23 PolarHBondContact O-N 2.87Å; C23-A26 PolarHBondContact O-N 2.96Å; C23-N27 WeakPolarHBondContact O-CB 3.49Å; C23-N27 PolarHBondContact O-N 2.98Å; C23-N27 PolarHBondContact O-ND2 3.01Å; C23-N27 PolarHBondContact O-OD1 3.17Å
24S95.5Very high94.2Very high60 Ų6036.5 Ų36.542%0.4219%0.194SC..Hα-helixtrans-61.1-48175.6-65.10000111.3L20 A21 A26 N27 I28L20-S24 PolarHBondContact O-N 2.8Å; L20-S24 PolarHBondContact O-OG 2.96Å; L20-S24 VanDerWaalsContact O-OG 3.05Å; A21-S24 PolarHBondContact O-N 3.34Å; S24-A26 PolarHBondContact O-N 2.87Å; S24-N27 PolarHBondContact O-N 2.87Å; S24-I28 WeakPolarHBondContact O-CG1 3.3Å; S24-I28 PolarHBondContact O-N 3.36Å
25I94.6Very high94Very high12 Ų1239.1 Ų39.16%0.06221%0.211CC..Hα-helixtrans-59.6-46.8175.5-67.4-58.8000111.5A21 A22 N27 I28 V29 L59 V64 A69 L72 V91A21-I25 WeakPolarHBondContact O-CG1 3.47Å; A21-I25 PolarHBondContact O-N 3.17Å; A21-I25 VanDerWaalsContact O-N 3.15Å; A22-I25 PolarHBondContact O-N 3.25Å; I25-N27 VanDerWaalsContact C-N 3.32Å; I25-N27 PolarHBondContact O-N 2.83Å; I25-I28 PolarHBondContact O-N 3.35Å; I25-V29 PolarHBondContact O-N 3.29Å; I25-L59 HydrophobicContact CG2-CD1 4.1Å; I25-L59 HydrophobicContact CG2-CD2 3.6Å; I25-V64 HydrophobicContact CD1-CG1 4.36Å; I25-V64 HydrophobicContact CD1-CG2 3.88Å; I25-A69 HydrophobicContact CD1-CB 4.04Å; I25-A69 HydrophobicContact CG1-CB 3.54Å; I25-L72 HydrophobicContact CB-CD1 4.38Å; I25-L72 HydrophobicContact CG2-CB 4.21Å; I25-L72 HydrophobicContact CG2-CD1 4.33Å; I25-V91 HydrophobicContact CG2-CG1 3.96Å
26A95.7Very high93.9Very high0 Ų038.9 Ų38.90%022%0.215CC..Hα-helixtrans-62.8-37.8177.300000112.5A22 C23 S24 I28 V29 K30 V91 A95A22-A26 PolarHBondContact O-N 3.45Å; C23-A26 PolarHBondContact O-N 2.96Å; S24-A26 PolarHBondContact O-N 2.87Å; A26-I28 VanDerWaalsContact C-N 3.26Å; A26-I28 PolarHBondContact O-N 3.28Å; A26-V29 WeakPolarHBondContact O-CG2 3.29Å; A26-V29 PolarHBondContact O-N 3.29Å; A26-K30 WeakPolarHBondContact O-CB 3.24Å; A26-K30 VanDerWaalsContact O-CG 3.22Å; A26-K30 WeakPolarHBondContact O-CG 3.26Å; A26-K30 PolarHBondContact O-N 2.76Å; A26-V91 HydrophobicContact CB-CG1 4.37Å; A26-A95 HydrophobicContact CB-CB 3.36Å
27N95.4Very high93.7Very high86 Ų8634.4 Ų34.446%0.4620%0.198SC..Hα-helixtrans-63.9-30.8178.3-72.5-19.3000112.9C23 S24 I25 K30C23-N27 WeakPolarHBondContact O-CB 3.49Å; C23-N27 PolarHBondContact O-N 2.98Å; C23-N27 PolarHBondContact O-ND2 3.01Å; C23-N27 PolarHBondContact O-OD1 3.17Å; S24-N27 PolarHBondContact O-N 2.87Å; I25-N27 VanDerWaalsContact C-N 3.32Å; I25-N27 PolarHBondContact O-N 2.83Å; N27-K30 PolarHBondContact OD1-NZ 3.42Å
28I94.6Very high93.6Very high60 Ų6036.8 Ų36.831%0.30821%0.213SC..Hα-helixtrans-63.7-51.5174.1-62.9167.6000109.5S24 I25 A26 K40 I58 L62S24-I28 WeakPolarHBondContact O-CG1 3.3Å; S24-I28 PolarHBondContact O-N 3.36Å; I25-I28 PolarHBondContact O-N 3.35Å; A26-I28 VanDerWaalsContact C-N 3.26Å; A26-I28 PolarHBondContact O-N 3.28Å; I28-K40 HydrophobicContact CG2-CD 4.23Å; I28-K40 WeakPolarHBondContact O-CE 3.46Å; I28-K40 PolarHBondContact O-NZ 3.4Å; I28-I58 HydrophobicContact CG2-CG2 4.02Å; I28-L62 HydrophobicContact CD1-CD1 3.76Å; I28-L62 HydrophobicContact CG2-CD1 4.12Å
29V94.9Very high93.4Very high0 Ų038.8 Ų38.80%022%0.224CC..Hα-helixtrans-81.3-14.9-175.1-58.60000114.2I25 A26 T31 S32 I58 L59 T88 V91 I92I25-V29 PolarHBondContact O-N 3.29Å; A26-V29 WeakPolarHBondContact O-CG2 3.29Å; A26-V29 PolarHBondContact O-N 3.29Å; V29-T31 PolarHBondContact O-N 3.06Å; V29-S32 PolarHBondContact O-N 3.22Å; V29-S32 VanDerWaalsContact O-N 3.11Å; V29-S32 PolarHBondContact O-OG 3.42Å; V29-I58 HydrophobicContact CG1-CG2 4.37Å; V29-L59 HydrophobicContact CG1-CD1 4.22Å; V29-L59 HydrophobicContact CG1-CD2 3.81Å; V29-L59 HydrophobicContact CG1-CG 3.87Å; V29-T88 HydrophobicContact CB-CG2 4.05Å; V29-T88 HydrophobicContact CG2-CG2 4.21Å; V29-T88 VanDerWaalsContact O-CG2 3.31Å; V29-T88 WeakPolarHBondContact O-CG2 3.41Å; V29-V91 HydrophobicContact CG2-CB 4.3Å; V29-V91 HydrophobicContact CG2-CG1 4Å; V29-I92 HydrophobicContact CG2-CG1 4.18Å
30K95.2Very high93.2Very high56 Ų5640.5 Ų40.524%0.24323%0.23CC..Hα-helixtrans-54.6-38.4179.6-92.8174.9-168.1170.90113.7A26 N27 S32 L33 I92 Q448 N452A26-K30 WeakPolarHBondContact O-CB 3.24Å; A26-K30 VanDerWaalsContact O-CG 3.22Å; A26-K30 WeakPolarHBondContact O-CG 3.26Å; A26-K30 PolarHBondContact O-N 2.76Å; N27-K30 PolarHBondContact OD1-NZ 3.42Å; K30-S32 VanDerWaalsContact C-N 3.25Å; K30-S32 PolarHBondContact O-N 2.79Å; K30-L33 PolarHBondContact O-N 3.2Å; K30-I92 HydrophobicContact CG-CD1 3.94Å; K30-I92 HydrophobicContact CG-CG1 3.97Å; K30-Q448 HydrophobicContact CB-CG 4.2Å; K30-Q448 VanDerWaalsContact CD-OE1 3.3Å; K30-Q448 HydrophobicContact CG-CG 4.05Å; K30-Q448 PolarHBondContact O-NE2 3.24Å; K30-N452 PolarHBondContact O-ND2 2.94Å; K30-N452 PolarHBondContact O-OD1 3.47Å
31T94.5Very high93.1Very high59 Ų5940.7 Ų40.736%0.36223%0.229SC..THydrogen-bonded Turntrans-74.2-14.6-176.368.50000113.3V29 G37 L38 K40V29-T31 PolarHBondContact O-N 3.06Å; T31-G37 WeakPolarHBondContact O-CA 3.37Å; T31-L38 PolarHBondContact O-N 2.89Å; T31-K40 PolarHBondContact OG1-NZ 3.37Å
32S92.8Very high92.9Very high1 Ų141.7 Ų41.71%0.00723%0.232CC..THydrogen-bonded Turntrans-92.7-7.8176.4640000113V29 K30 G34 N53V29-S32 PolarHBondContact O-N 3.22Å; V29-S32 VanDerWaalsContact O-N 3.11Å; V29-S32 PolarHBondContact O-OG 3.42Å; K30-S32 VanDerWaalsContact C-N 3.25Å; K30-S32 PolarHBondContact O-N 2.79Å; S32-G34 PolarHBondContact O-N 2.86Å; S32-N53 WeakPolarHBondContact CB-O 3.43Å; S32-N53 PolarHBondContact O-ND2 2.89Å; S32-N53 PolarHBondContact O-OD1 2.68Å; S32-N53 PolarHBondContact OG-O 2.94Å
33L93.9Very high92.8Very high12 Ų1246 Ų466%0.06326%0.259CS..  trans-70.1126.4-177.7-174.673.4000113K30 T88 S89 I92 I445 Q448 L449 N452K30-L33 PolarHBondContact O-N 3.2Å; L33-T88 HydrophobicContact CB-CG2 3.91Å; L33-T88 HydrophobicContact CD1-CG2 3.91Å; L33-T88 HydrophobicContact CG-CG2 4.5Å; L33-S89 WeakPolarHBondContact CD1-OG 3.2Å; L33-I92 HydrophobicContact CB-CD1 4.05Å; L33-I92 HydrophobicContact CD1-CD1 4.41Å; L33-I92 HydrophobicContact CD2-CD1 3.84Å; L33-I92 HydrophobicContact CG-CD1 4.31Å; L33-I445 HydrophobicContact CD2-CD1 4.37Å; L33-I445 HydrophobicContact CD2-CG2 4.39Å; L33-Q448 HydrophobicContact CB-CG 4.28Å; L33-Q448 HydrophobicContact CD2-CB 3.79Å; L33-Q448 HydrophobicContact CD2-CG 3.8Å; L33-L449 HydrophobicContact CD2-CD2 4.17Å; L33-L449 HydrophobicContact CD2-CG 4.26Å; L33-L449 HydrophobicContact CG-CD2 3.95Å; L33-N452 PolarHBondContact O-ND2 3.06Å
34G90.9Very high92.6Very high12 Ų1248.3 Ų48.312%0.12427%0.269CS..SBendtrans91.9173.4169.900000114.2S32 V36 G37 S155 L449S32-G34 PolarHBondContact O-N 2.86Å; G34-V36 PolarHBondContact O-N 2.83Å; G34-G37 PolarHBondContact O-N 3.45Å; G34-S155 WeakPolarHBondContact O-CB 3.46Å; G34-L449 VanDerWaalsContact CA-CD2 3.43Å
35P88.4Confident92.5Very high56 Ų5653.9 Ų53.936%0.36429%0.294SS..THydrogen-bonded Turntrans-67.1-20.5-17327.1-36.1000114.6S154 L487P35-S154 VanDerWaalsContact CA-O 3.29Å; P35-S154 WeakPolarHBondContact CA-O 3.22Å; P35-L487 HydrophobicContact CG-CD1 3.95Å
36V89Confident92.4Very high45 Ų4559.3 Ų59.327%0.27333%0.327SS..THydrogen-bonded Turntrans-100.94.6175.8-65.40000111.9G34 N452 A453 L487G34-V36 PolarHBondContact O-N 2.83Å; V36-N452 HydrophobicContact CG2-CB 3.99Å; V36-A453 HydrophobicContact CG2-CB 3.83Å; V36-L487 HydrophobicContact CG2-CD1 3.74Å
37G88.4Confident92.1Very high10 Ų1061.3 Ų61.310%0.10335%0.349CS..  trans-66.5153.2170.700000110.7T31 G34T31-G37 WeakPolarHBondContact O-CA 3.37Å; G34-G37 PolarHBondContact O-N 3.45Å
38L90.4Very high91.9Very high129 Ų12962.1 Ų62.168%0.67535%0.353SS*.  trans-113.3142.3-178.6-61.5176.5000111.1T31T31-L38 PolarHBondContact O-N 2.89Å
39D90.3Very high91.7Very high46 Ų4660.6 Ų60.625%0.24635%0.346CS..  trans-69.5160.3178.8-59.6-1.6000111.3I51 N53 L157D39-I51 HydrophobicContact CB-CG2 4.06Å; D39-N53 WeakPolarHBondContact OD1-CB 3.49Å; D39-N53 PolarHBondContact OD1-ND2 3.48Å; D39-L157 WeakPolarHBondContact OD2-CD2 3.38Å; D39-L157 VanDerWaalsContact OD2-CG 3.25Å; D39-L157 WeakPolarHBondContact OD2-CG 3.36Å
40K91.7Very high91.5Very high50 Ų5062.7 Ų62.722%0.21736%0.359CS..EExtended strand (participates in β ladder)trans-113.9141173.6-62.5-167.1-173.1-58.60110.6I28 T31 I51 T52 I58I28-K40 HydrophobicContact CG2-CD 4.23Å; I28-K40 WeakPolarHBondContact O-CE 3.46Å; I28-K40 PolarHBondContact O-NZ 3.4Å; T31-K40 PolarHBondContact OG1-NZ 3.37Å; K40-I51 WeakPolarHBondContact O-CA 3.2Å; K40-T52 PolarHBondContact N-O 3.31Å; K40-T52 PolarHBondContact O-N 2.79Å; K40-I58 HydrophobicContact CB-CD1 4.41Å; K40-I58 HydrophobicContact CD-CD1 4.14Å; K40-I58 HydrophobicContact CD-CG2 4.29Å; K40-I58 HydrophobicContact CG-CD1 4.24Å
41M92.4Very high91.3Very high121 Ų12163 Ų6360%0.59636%0.363SS*.EExtended strand (participates in β ladder)trans-95.5119.1167.6-171.5-177.517800108.1V43 V49 I51M41-V43 HydrophobicContact CE-CG2 4.25Å; M41-V43 HydrophobicContact CG-CG2 4.47Å; M41-V49 HydrophobicContact CE-CB 4.1Å; M41-V49 HydrophobicContact CE-CG1 3.33Å; M41-V49 HydrophobicContact CE-CG2 3.56Å; M41-V49 HydrophobicContact CG-CG1 3.51Å; M41-V49 HydrophobicContact SD-CG1 4.17Å; M41-I51 HydrophobicContact CB-CG1 4.47Å; M41-I51 HydrophobicContact CG-CG1 4.25Å
42L92.4Very high91.1Very high35 Ų3560.2 Ų60.218%0.18335%0.345CS..EExtended strand (participates in β ladder)trans-112.3129.6175.9-62.6168.8000107.6V49 T50 I58 L61L42-V49 WeakPolarHBondContact O-CA 3.1Å; L42-T50 PolarHBondContact N-O 3.38Å; L42-T50 PolarHBondContact O-N 3.41Å; L42-I58 HydrophobicContact CD1-CB 4.44Å; L42-I58 HydrophobicContact CD1-CG1 4.4Å; L42-I58 HydrophobicContact CD1-CG2 4.39Å; L42-L61 HydrophobicContact CB-CD1 4.25Å; L42-L61 HydrophobicContact CD1-CB 3.83Å; L42-L61 HydrophobicContact CD1-CD1 3.61Å; L42-L61 HydrophobicContact CD1-CG 4.36Å
43V93.2Very high91Very high91 Ų9160.3 Ų60.355%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-116.8126.1-179-172.90000107.1M41 D48 V49M41-V43 HydrophobicContact CE-CG2 4.25Å; M41-V43 HydrophobicContact CG-CG2 4.47Å; V43-D48 WeakPolarHBondContact CA-O 3.29Å; V43-V49 HydrophobicContact CG2-CG2 4.33Å
44D91.5Very high90.8Very high74 Ų7460 Ų6040%0.39635%0.345SS..  trans-82.5176.7174.874.18.5000112V46 G47 D48D44-V46 PolarHBondContact O-N 3.18Å; D44-V46 WeakPolarHBondContact OD1-CA 3.3Å; D44-V46 WeakPolarHBondContact OD1-CB 3.37Å; D44-V46 PolarHBondContact OD1-N 3.17Å; D44-G47 PolarHBondContact O-N 3.24Å; D44-G47 VanDerWaalsContact O-N 3.15Å; D44-G47 PolarHBondContact OD1-N 3.44Å; D44-D48 PolarHBondContact N-O 3.23Å; D44-D48 VanDerWaalsContact N-O 3.1Å; D44-D48 PolarHBondContact OD1-N 3.36Å
45D91.4Very high90.8Very high177 Ų17759.5 Ų59.595%0.94734%0.339SS*.THydrogen-bonded Turntrans-66.8-19.9-179-64.8-30.6000113.3
46V93.4Very high91Very high125 Ų12557 Ų5776%0.75832%0.323SS*.THydrogen-bonded Turntrans-83.2-23.1177.6-176.30000110.8D44D44-V46 PolarHBondContact O-N 3.18Å; D44-V46 WeakPolarHBondContact OD1-CA 3.3Å; D44-V46 WeakPolarHBondContact OD1-CB 3.37Å; D44-V46 PolarHBondContact OD1-N 3.17Å
47G90.2Very high91.1Very high43 Ų4355.9 Ų55.944%0.44332%0.317SS..  trans102.26.8-17700000113.9D44D44-G47 PolarHBondContact O-N 3.24Å; D44-G47 VanDerWaalsContact O-N 3.15Å; D44-G47 PolarHBondContact OD1-N 3.44Å
48D90.1Very high91.3Very high102 Ų10255.4 Ų55.455%0.54531%0.312SS..  trans-70.4134.8174.1-73-20.7000109.8V43 D44V43-D48 WeakPolarHBondContact CA-O 3.29Å; D44-D48 PolarHBondContact N-O 3.23Å; D44-D48 VanDerWaalsContact N-O 3.1Å; D44-D48 PolarHBondContact OD1-N 3.36Å
49V91.6Very high91.5Very high28 Ų2849.3 Ų49.317%0.1728%0.28CS..EExtended strand (participates in β ladder)trans-104.2126.4-174.3179.10000109.5M41 L42 V43 I51 F380M41-V49 HydrophobicContact CE-CB 4.1Å; M41-V49 HydrophobicContact CE-CG1 3.33Å; M41-V49 HydrophobicContact CE-CG2 3.56Å; M41-V49 HydrophobicContact CG-CG1 3.51Å; M41-V49 HydrophobicContact SD-CG1 4.17Å; L42-V49 WeakPolarHBondContact O-CA 3.1Å; V43-V49 HydrophobicContact CG2-CG2 4.33Å; V49-I51 HydrophobicContact CG1-CG1 3.99Å; V49-F380 HydrophobicContact CB-CD1 4.46Å; V49-F380 HydrophobicContact CB-CE1 4.11Å; V49-F380 HydrophobicContact CB-CZ 4.36Å; V49-F380 WeakPolarHBondContact O-CD1 3.36Å; V49-F380 WeakPolarHBondContact O-CE1 3.5Å
50T90.3Very high91.6Very high45 Ų4554.3 Ų54.328%0.27630%0.299SS..EExtended strand (participates in β ladder)trans-112.3120.8166.1-58.40000109.7L42 T52 L61L42-T50 PolarHBondContact N-O 3.38Å; L42-T50 PolarHBondContact O-N 3.41Å; T50-T52 HydrophobicContact CG2-CG2 4.35Å; T50-L61 HydrophobicContact CG2-CD1 3.84Å
51I91.4Very high91.6Very high62 Ų6256.2 Ų56.232%0.31831%0.311SS..EExtended strand (participates in β ladder)trans-103.5122.4171.8-57.1174.1000107.5D39 K40 M41 V49D39-I51 HydrophobicContact CB-CG2 4.06Å; K40-I51 WeakPolarHBondContact O-CA 3.2Å; M41-I51 HydrophobicContact CB-CG1 4.47Å; M41-I51 HydrophobicContact CG-CG1 4.25Å; V49-I51 HydrophobicContact CG1-CG1 3.99Å
52T90.3Very high91.6Very high0 Ų052.8 Ų52.80%030%0.295CS..EExtended strand (participates in β ladder)trans-155.5150.9179.9-169.50000113.9K40 T50 D54 T57 I58 E384 R387K40-T52 PolarHBondContact N-O 3.31Å; K40-T52 PolarHBondContact O-N 2.79Å; T50-T52 HydrophobicContact CG2-CG2 4.35Å; T52-D54 PolarHBondContact OG1-N 3.12Å; T52-T57 HydrophobicContact CG2-CG2 3.85Å; T52-I58 HydrophobicContact CG2-CG1 3.74Å; T52-E384 WeakPolarHBondContact CA-OE1 3.38Å; T52-E384 VanDerWaalsContact CB-OE2 3.23Å; T52-E384 WeakPolarHBondContact CB-OE2 3.33Å; T52-E384 PolarHBondContact OG1-OE1 3.47Å; T52-E384 VanDerWaalsContact OG1-OE1 3.08Å; T52-E384 PolarHBondContact OG1-OE2 3.19Å; T52-R387 PolarHBondContact OG1-NH1 2.64Å
53N90.3Very high91.6Very high3 Ų358.5 Ų58.52%0.01633%0.326CS..  trans-93.4-23169.3-160.8-92.9000112.9S32 D39 G55 S155 K156 E384S32-N53 WeakPolarHBondContact CB-O 3.43Å; S32-N53 PolarHBondContact O-ND2 2.89Å; S32-N53 PolarHBondContact O-OD1 2.68Å; S32-N53 PolarHBondContact OG-O 2.94Å; D39-N53 WeakPolarHBondContact OD1-CB 3.49Å; D39-N53 PolarHBondContact OD1-ND2 3.48Å; N53-G55 PolarHBondContact O-N 3.33Å; N53-S155 PolarHBondContact ND2-O 2.95Å; N53-S155 PolarHBondContact OD1-O 3.21Å; N53-S155 PolarHBondContact OD1-OG 3.02Å; N53-K156 HydrophobicContact CB-CG 4.48Å; N53-E384 PolarHBondContact N-OE1 3.39Å; N53-E384 VanDerWaalsContact N-OE1 3.13Å
54D88.9Confident91.5Very high7 Ų755.1 Ų55.14%0.03731%0.305CS..  trans-68.5120.6-169.7168.639.3000111.8T52 A56 T57 I58 T87T52-D54 PolarHBondContact OG1-N 3.12Å; D54-A56 VanDerWaalsContact C-N 3.27Å; D54-A56 PolarHBondContact O-N 2.85Å; D54-A56 PolarHBondContact OD1-N 3.18Å; D54-A56 VanDerWaalsContact OD1-N 3.07Å; D54-T57 PolarHBondContact O-N 3.09Å; D54-T57 WeakPolarHBondContact OD2-CB 3.39Å; D54-T57 PolarHBondContact OD2-N 3.36Å; D54-T57 PolarHBondContact OD2-OG1 2.86Å; D54-I58 VanDerWaalsContact O-CG1 3.29Å; D54-I58 WeakPolarHBondContact O-CG1 3.41Å; D54-I58 PolarHBondContact O-N 3.3Å; D54-T87 PolarHBondContact OD1-OG1 2.84Å
55G90.7Very high91.4Very high0 Ų059.1 Ų59.10%032%0.322CS..Hα-helixtrans-59.4-34.7179.800000113.3N53 L59 T88N53-G55 PolarHBondContact O-N 3.33Å; G55-L59 WeakPolarHBondContact O-CB 3.18Å; G55-L59 WeakPolarHBondContact O-CG 3.25Å; G55-L59 PolarHBondContact O-N 3.43Å; G55-T88 WeakPolarHBondContact CA-OG1 3.45Å; G55-T88 PolarHBondContact N-OG1 3.21Å
56A92.3Very high91.5Very high5 Ų553.1 Ų53.14%0.04129%0.288CS..Hα-helixtrans-69.3-44.2178.900000111.3D54 L59 K60 A76 D80 T87D54-A56 VanDerWaalsContact C-N 3.27Å; D54-A56 PolarHBondContact O-N 2.85Å; D54-A56 PolarHBondContact OD1-N 3.18Å; D54-A56 VanDerWaalsContact OD1-N 3.07Å; A56-L59 PolarHBondContact O-N 3.19Å; A56-K60 VanDerWaalsContact O-CB 3.29Å; A56-K60 WeakPolarHBondContact O-CB 3.4Å; A56-K60 PolarHBondContact O-N 2.86Å; A56-A76 HydrophobicContact CB-CB 4.33Å; A56-D80 HydrophobicContact CB-CB 3.97Å; A56-T87 HydrophobicContact CB-CG2 3.71Å
57T91.1Very high91.4Very high21 Ų2150.3 Ų50.313%0.12927%0.272CS..Hα-helixtrans-63.7-45.4176-58.30000111.7T52 D54 L59 K60 L61 R387T52-T57 HydrophobicContact CG2-CG2 3.85Å; D54-T57 PolarHBondContact O-N 3.09Å; D54-T57 WeakPolarHBondContact OD2-CB 3.39Å; D54-T57 PolarHBondContact OD2-N 3.36Å; D54-T57 PolarHBondContact OD2-OG1 2.86Å; T57-L59 VanDerWaalsContact C-N 3.33Å; T57-L59 PolarHBondContact O-N 3.33Å; T57-K60 PolarHBondContact O-N 3.02Å; T57-L61 HydrophobicContact CG2-CD1 4.16Å; T57-L61 WeakPolarHBondContact O-CG 3.43Å; T57-L61 PolarHBondContact O-N 2.81Å; T57-R387 WeakPolarHBondContact OG1-CD 2.83Å; T57-R387 PolarHBondContact OG1-NE 2.95Å
58I93.6Very high91.6Very high0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-56.1-50.6176-66.7166.5000110I28 V29 K40 L42 T52 D54 K60 L61 L62I28-I58 HydrophobicContact CG2-CG2 4.02Å; V29-I58 HydrophobicContact CG1-CG2 4.37Å; K40-I58 HydrophobicContact CB-CD1 4.41Å; K40-I58 HydrophobicContact CD-CD1 4.14Å; K40-I58 HydrophobicContact CD-CG2 4.29Å; K40-I58 HydrophobicContact CG-CD1 4.24Å; L42-I58 HydrophobicContact CD1-CB 4.44Å; L42-I58 HydrophobicContact CD1-CG1 4.4Å; L42-I58 HydrophobicContact CD1-CG2 4.39Å; T52-I58 HydrophobicContact CG2-CG1 3.74Å; D54-I58 VanDerWaalsContact O-CG1 3.29Å; D54-I58 WeakPolarHBondContact O-CG1 3.41Å; D54-I58 PolarHBondContact O-N 3.3Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 2.8Å; I58-L61 PolarHBondContact O-N 3.1Å; I58-L62 HydrophobicContact CG2-CD1 4.31Å; I58-L62 WeakPolarHBondContact O-CG 3.37Å; I58-L62 PolarHBondContact O-N 3.25Å
59L94.1Very high91.7Very high1 Ų143.6 Ų43.61%0.00523%0.227CC..Hα-helixtrans-70.3-27.3-176.3-68.5-177000113.7I25 V29 G55 A56 T57 L62 V73 A76 V91I25-L59 HydrophobicContact CG2-CD1 4.1Å; I25-L59 HydrophobicContact CG2-CD2 3.6Å; V29-L59 HydrophobicContact CG1-CD1 4.22Å; V29-L59 HydrophobicContact CG1-CD2 3.81Å; V29-L59 HydrophobicContact CG1-CG 3.87Å; G55-L59 WeakPolarHBondContact O-CB 3.18Å; G55-L59 WeakPolarHBondContact O-CG 3.25Å; G55-L59 PolarHBondContact O-N 3.43Å; A56-L59 PolarHBondContact O-N 3.19Å; T57-L59 VanDerWaalsContact C-N 3.33Å; T57-L59 PolarHBondContact O-N 3.33Å; L59-L62 HydrophobicContact CD2-CD1 3.96Å; L59-V73 HydrophobicContact CB-CG1 4.24Å; L59-V73 HydrophobicContact CB-CG2 4.2Å; L59-V73 WeakPolarHBondContact O-CG1 3.49Å; L59-A76 HydrophobicContact CD1-CB 3.82Å; L59-V91 HydrophobicContact CD1-CG1 4.29Å; L59-V91 HydrophobicContact CD1-CG2 3.75Å
60K92.7Very high91.9Very high151 Ų15147.4 Ų47.466%0.65724%0.241SC*.Hα-helixtrans-70.7-33.7175.5-178.2179.3177.2-177.10112.5A56 T57 I58A56-K60 VanDerWaalsContact O-CB 3.29Å; A56-K60 WeakPolarHBondContact O-CB 3.4Å; A56-K60 PolarHBondContact O-N 2.86Å; T57-K60 PolarHBondContact O-N 3.02Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 2.8Å
61L92.2Very high92.1Very high89 Ų8947.2 Ų47.247%0.46624%0.238SC..Hα-helixtrans-82.5-15.2-179.8-70.6174.6000113L42 T50 T57 I58L42-L61 HydrophobicContact CB-CD1 4.25Å; L42-L61 HydrophobicContact CD1-CB 3.83Å; L42-L61 HydrophobicContact CD1-CD1 3.61Å; L42-L61 HydrophobicContact CD1-CG 4.36Å; T50-L61 HydrophobicContact CG2-CD1 3.84Å; T57-L61 HydrophobicContact CG2-CD1 4.16Å; T57-L61 WeakPolarHBondContact O-CG 3.43Å; T57-L61 PolarHBondContact O-N 2.81Å; I58-L61 PolarHBondContact O-N 3.1Å
62L92.3Very high92.3Very high50 Ų5044.3 Ų44.326%0.26222%0.223SC..SBendtrans-80.2127.3174-67.6171.5000110.6I28 I58 L59 V64I28-L62 HydrophobicContact CD1-CD1 3.76Å; I28-L62 HydrophobicContact CG2-CD1 4.12Å; I58-L62 HydrophobicContact CG2-CD1 4.31Å; I58-L62 WeakPolarHBondContact O-CG 3.37Å; I58-L62 PolarHBondContact O-N 3.25Å; L59-L62 HydrophobicContact CD2-CD1 3.96Å; L62-V64 HydrophobicContact CB-CG2 4.02Å; L62-V64 PolarHBondContact O-N 2.74Å
63D91.3Very high92.5Very high154 Ų15445 Ų4582%0.82423%0.228SC*.  trans-76.7108.9167.6-169.112.6000110
64V91.1Very high92.7Very high20 Ų2050.8 Ų50.812%0.12125%0.254CS..  trans-113.1108.4-173.6176.60000109.2I25 L62 A69 K70 V73I25-V64 HydrophobicContact CD1-CG1 4.36Å; I25-V64 HydrophobicContact CD1-CG2 3.88Å; L62-V64 HydrophobicContact CB-CG2 4.02Å; L62-V64 PolarHBondContact O-N 2.74Å; V64-A69 HydrophobicContact CG1-CB 3.21Å; V64-K70 HydrophobicContact CG1-CG 4.21Å; V64-K70 WeakPolarHBondContact O-CE 3.45Å; V64-K70 WeakPolarHBondContact O-CG 3.47Å; V64-V73 HydrophobicContact CB-CG2 4.39Å; V64-V73 HydrophobicContact CG2-CG2 3.97Å
65E90.7Very high93.1Very high158 Ų15851 Ų5174%0.73826%0.255SS*.  trans-77.3-39.4179.1-63.4-172.2168.100113.2
66H92.5Very high93.3Very high51 Ų5151 Ų5124%0.23626%0.255CS..SBendtrans-70.1129.1-168.9-169.2-74.1000112.4N18 A21 A68 A69 K70N18-H66 PolarHBondContact OD1-CE1 3Å; N18-H66 VanDerWaalsContact OD1-CE1 3.31Å; A21-H66 HydrophobicContact CB-CB 4.3Å; H66-A68 PolarHBondContact ND1-N 2.87Å; H66-A68 VanDerWaalsContact ND1-N 3.18Å; H66-A68 PolarHBondContact O-N 3.25Å; H66-A69 HydrophobicContact CB-CB 4.18Å; H66-A69 WeakPolarHBondContact O-CB 3.22Å; H66-A69 PolarHBondContact O-N 2.84Å; H66-K70 PolarHBondContact O-N 2.85Å
67P92.5Very high93.4Very high66 Ų6653.8 Ų53.843%0.42927%0.267SS..Hα-helixtrans-57.7-44.5-175-27.434.9000114.8A69 K70 I71 L527P67-A69 PolarHBondContact O-N 3.08Å; P67-K70 WeakPolarHBondContact O-CB 3.35Å; P67-K70 PolarHBondContact O-N 2.94Å; P67-I71 WeakPolarHBondContact O-CG1 3.49Å; P67-I71 PolarHBondContact O-N 3.15Å; P67-I71 VanDerWaalsContact O-N 3.1Å; P67-L527 HydrophobicContact CG-CD1 4.23Å
68A92.8Very high93.5Very high1 Ų156.2 Ų56.21%0.00828%0.279CS..Hα-helixtrans-62.1-31.7177.800000113N18 H66 I521N18-A68 HydrophobicContact CB-CB 4.02Å; H66-A68 PolarHBondContact ND1-N 2.87Å; H66-A68 VanDerWaalsContact ND1-N 3.18Å; H66-A68 PolarHBondContact O-N 3.25Å; A68-I521 HydrophobicContact CB-CD1 4.36Å; A68-I521 HydrophobicContact CB-CG1 4.41Å; A68-I521 HydrophobicContact CB-CG2 4.32Å
69A94Very high93.6Very high4 Ų456.2 Ų56.23%0.03328%0.279CS..Hα-helixtrans-75.9-39.417700000110.7A21 I25 V64 H66 P67 I71 L72 V73A21-A69 HydrophobicContact CB-CB 4.36Å; I25-A69 HydrophobicContact CD1-CB 4.04Å; I25-A69 HydrophobicContact CG1-CB 3.54Å; V64-A69 HydrophobicContact CG1-CB 3.21Å; H66-A69 HydrophobicContact CB-CB 4.18Å; H66-A69 WeakPolarHBondContact O-CB 3.22Å; H66-A69 PolarHBondContact O-N 2.84Å; P67-A69 PolarHBondContact O-N 3.08Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 2.62Å; A69-L72 PolarHBondContact O-N 2.99Å; A69-V73 WeakPolarHBondContact O-CG2 3.42Å; A69-V73 PolarHBondContact O-N 2.87Å
70K94.5Very high93.5Very high107 Ų10758.2 Ų58.247%0.46529%0.29SS..Hα-helixtrans-56.1-38.5171.4-69.3-173.7178.2-176.90112.6V64 H66 P67 L72 V73 Q74V64-K70 HydrophobicContact CG1-CG 4.21Å; V64-K70 WeakPolarHBondContact O-CE 3.45Å; V64-K70 WeakPolarHBondContact O-CG 3.47Å; H66-K70 PolarHBondContact O-N 2.85Å; P67-K70 WeakPolarHBondContact O-CB 3.35Å; P67-K70 PolarHBondContact O-N 2.94Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 2.96Å; K70-V73 PolarHBondContact O-N 3.42Å; K70-Q74 WeakPolarHBondContact O-CG 3.46Å; K70-Q74 PolarHBondContact O-N 3.2Å
71I95.3Very high93.4Very high42 Ų4258 Ų5822%0.21529%0.292CS..Hα-helixtrans-59.2-40.4174.9-67169.9000111P67 A69 L75 A517 T520 I521P67-I71 WeakPolarHBondContact O-CG1 3.49Å; P67-I71 PolarHBondContact O-N 3.15Å; P67-I71 VanDerWaalsContact O-N 3.1Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 2.62Å; I71-L75 WeakPolarHBondContact O-CB 3.38Å; I71-L75 PolarHBondContact O-N 2.72Å; I71-A517 HydrophobicContact CG2-CB 4.39Å; I71-T520 HydrophobicContact CD1-CG2 4.44Å; I71-I521 HydrophobicContact CB-CD1 4.29Å; I71-I521 HydrophobicContact CD1-CG1 3.88Å; I71-I521 HydrophobicContact CG2-CD1 4.07Å; I71-I521 HydrophobicContact CG2-CG1 4.32Å
72L95Very high93.2Very high0 Ų057.7 Ų57.70%029%0.288CS..Hα-helixtrans-73.5-32.1177.6-64.3-177.3000113.1A22 I25 A69 K70 L75 A76 V91 A94 I521A22-L72 HydrophobicContact CB-CD1 3.67Å; I25-L72 HydrophobicContact CB-CD1 4.38Å; I25-L72 HydrophobicContact CG2-CB 4.21Å; I25-L72 HydrophobicContact CG2-CD1 4.33Å; A69-L72 PolarHBondContact O-N 2.99Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 2.96Å; L72-L75 HydrophobicContact CD2-CD2 3.83Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.38Å; L72-A76 PolarHBondContact O-N 3.02Å; L72-A76 VanDerWaalsContact O-N 3.09Å; L72-V91 HydrophobicContact CD1-CG1 4.49Å; L72-A94 HydrophobicContact CD2-CB 3.72Å; L72-I521 HydrophobicContact CD2-CD1 4.44Å
73V95.2Very high93Very high16 Ų1655.3 Ų55.310%0.09728%0.275CS..Hα-helixtrans-63-47.6171.7177.90000110.2L59 V64 A69 K70 L75 A76 Q77L59-V73 HydrophobicContact CB-CG1 4.24Å; L59-V73 HydrophobicContact CB-CG2 4.2Å; L59-V73 WeakPolarHBondContact O-CG1 3.49Å; V64-V73 HydrophobicContact CB-CG2 4.39Å; V64-V73 HydrophobicContact CG2-CG2 3.97Å; A69-V73 WeakPolarHBondContact O-CG2 3.42Å; A69-V73 PolarHBondContact O-N 2.87Å; K70-V73 PolarHBondContact O-N 3.42Å; V73-L75 VanDerWaalsContact C-N 3.31Å; V73-L75 PolarHBondContact O-N 2.97Å; V73-A76 PolarHBondContact O-N 2.89Å; V73-Q77 WeakPolarHBondContact O-CG 3.13Å; V73-Q77 PolarHBondContact O-N 3.05Å; V73-Q77 VanDerWaalsContact O-N 3.13Å
74Q94.7Very high92.7Very high123 Ų12348 Ų4858%0.57524%0.236SC*.Hα-helixtrans-63.6-36176.3-71.1176.7-6.700112.3K70 Q77 L78K70-Q74 WeakPolarHBondContact O-CG 3.46Å; K70-Q74 PolarHBondContact O-N 3.2Å; Q74-Q77 PolarHBondContact O-N 3.23Å; Q74-L78 WeakPolarHBondContact O-CB 3.27Å; Q74-L78 PolarHBondContact O-N 2.84Å
75L95.7Very high92.6Very high11 Ų1148.7 Ų48.76%0.05824%0.239CC..Hα-helixtrans-59.8-44.7174.2174.367.2000112I71 L72 V73 L78 Q79 V90 A94 F513 A517I71-L75 WeakPolarHBondContact O-CB 3.38Å; I71-L75 PolarHBondContact O-N 2.72Å; L72-L75 HydrophobicContact CD2-CD2 3.83Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.38Å; V73-L75 VanDerWaalsContact C-N 3.31Å; V73-L75 PolarHBondContact O-N 2.97Å; L75-L78 PolarHBondContact O-N 3.27Å; L75-Q79 WeakPolarHBondContact O-CB 3.49Å; L75-Q79 PolarHBondContact O-N 3.21Å; L75-V90 HydrophobicContact CD1-CG2 3.88Å; L75-V90 HydrophobicContact CD2-CG2 4.02Å; L75-V90 HydrophobicContact CG-CG1 4.17Å; L75-V90 HydrophobicContact CG-CG2 3.94Å; L75-A94 HydrophobicContact CD2-CB 3.82Å; L75-F513 HydrophobicContact CD1-CB 3.49Å; L75-F513 VanDerWaalsContact CD1-CB 3.49Å; L75-A517 HydrophobicContact CD1-CB 4.21Å; L75-A517 HydrophobicContact CD2-CB 3.75Å; L75-A517 HydrophobicContact CG-CB 4.46Å
76A95.4Very high92.6Very high0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-64.8-42.8177.900000111.7A56 L59 L72 V73 Q79 D80 V91A56-A76 HydrophobicContact CB-CB 4.33Å; L59-A76 HydrophobicContact CD1-CB 3.82Å; L72-A76 PolarHBondContact O-N 3.02Å; L72-A76 VanDerWaalsContact O-N 3.09Å; V73-A76 PolarHBondContact O-N 2.89Å; A76-Q79 PolarHBondContact O-N 3.07Å; A76-D80 PolarHBondContact O-N 2.97Å; A76-V91 HydrophobicContact CB-CG2 3.85Å
77Q94Very high92.6Very high64 Ų6439.5 Ų39.530%0.29920%0.199SC..Hα-helixtrans-63-43.9175.6-69.1173.2-4.900112V73 Q74 Q79 D80 E81V73-Q77 WeakPolarHBondContact O-CG 3.13Å; V73-Q77 PolarHBondContact O-N 3.05Å; V73-Q77 VanDerWaalsContact O-N 3.13Å; Q74-Q77 PolarHBondContact O-N 3.23Å; Q77-Q79 VanDerWaalsContact C-N 3.31Å; Q77-Q79 PolarHBondContact O-N 3.11Å; Q77-D80 WeakPolarHBondContact O-CB 3.47Å; Q77-D80 PolarHBondContact O-N 2.88Å; Q77-E81 WeakPolarHBondContact O-CG 3.3Å; Q77-E81 PolarHBondContact O-N 2.81Å
78L94.8Very high92.7Very high72 Ų7236.8 Ų36.838%0.37718%0.181SC..Hα-helixtrans-61.7-40.6177.2-177.266.9000111.6Q74 L75 E82 F513Q74-L78 WeakPolarHBondContact O-CB 3.27Å; Q74-L78 PolarHBondContact O-N 2.84Å; L75-L78 PolarHBondContact O-N 3.27Å; L78-E82 HydrophobicContact CD1-CG 4.11Å; L78-E82 HydrophobicContact CG-CG 4.5Å; L78-E82 VanDerWaalsContact O-CB 3.23Å; L78-E82 WeakPolarHBondContact O-CB 3.31Å; L78-E82 WeakPolarHBondContact O-CG 3.39Å; L78-E82 PolarHBondContact O-N 3.21Å; L78-F513 HydrophobicContact CD2-CD1 4.46Å; L78-F513 HydrophobicContact CD2-CD2 4.43Å; L78-F513 HydrophobicContact CD2-CE1 4.29Å; L78-F513 HydrophobicContact CD2-CE2 4.27Å; L78-F513 HydrophobicContact CD2-CZ 4.2Å; L78-F513 HydrophobicContact CG-CE2 4.19Å; L78-F513 HydrophobicContact CG-CZ 4.36Å
79Q94.3Very high92.8Very high0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-64.2-41.4176.4-179.567.424.600111.6L75 A76 Q77 V83 G84 D85 V90 S510 F513L75-Q79 WeakPolarHBondContact O-CB 3.49Å; L75-Q79 PolarHBondContact O-N 3.21Å; A76-Q79 PolarHBondContact O-N 3.07Å; Q77-Q79 VanDerWaalsContact C-N 3.31Å; Q77-Q79 PolarHBondContact O-N 3.11Å; Q79-V83 WeakPolarHBondContact O-CA 3.45Å; Q79-V83 WeakPolarHBondContact O-CB 3.42Å; Q79-V83 PolarHBondContact O-N 2.96Å; Q79-G84 PolarHBondContact O-N 3.05Å; Q79-D85 WeakPolarHBondContact CG-O 3.3Å; Q79-D85 PolarHBondContact NE2-O 3.49Å; Q79-V90 HydrophobicContact CB-CG1 3.93Å; Q79-V90 HydrophobicContact CG-CB 4.46Å; Q79-V90 HydrophobicContact CG-CG1 4.02Å; Q79-S510 PolarHBondContact NE2-OG 3.35Å; Q79-F513 VanDerWaalsContact OE1-CD2 3.29Å
80D92.5Very high92.9Very high44 Ų4437.9 Ų37.924%0.23519%0.188CC..Hα-helixtrans-62-48.3176.3-171.244.6000111.7A56 A76 Q77 E82 G84 T87A56-D80 HydrophobicContact CB-CB 3.97Å; A76-D80 PolarHBondContact O-N 2.97Å; Q77-D80 WeakPolarHBondContact O-CB 3.47Å; Q77-D80 PolarHBondContact O-N 2.88Å; D80-E82 PolarHBondContact O-N 2.97Å; D80-G84 WeakPolarHBondContact O-CA 3.41Å; D80-G84 PolarHBondContact O-N 3.47Å; D80-T87 HydrophobicContact CB-CG2 3.75Å
81E90.7Very high93.1Very high147 Ų14732.8 Ų32.869%0.68717%0.166SC*.Hα-helixtrans-65.4-40.1179-69.1178.9-18000113.2Q77Q77-E81 WeakPolarHBondContact O-CG 3.3Å; Q77-E81 PolarHBondContact O-N 2.81Å
82E88.2Confident93.1Very high82 Ų8230.9 Ų30.938%0.38316%0.157SC..Hα-helixtrans-86.8-27.7-173.5-80.4-70.4152.600114.3L78 D80 R398 K509 F513L78-E82 HydrophobicContact CD1-CG 4.11Å; L78-E82 HydrophobicContact CG-CG 4.5Å; L78-E82 VanDerWaalsContact O-CB 3.23Å; L78-E82 WeakPolarHBondContact O-CB 3.31Å; L78-E82 WeakPolarHBondContact O-CG 3.39Å; L78-E82 PolarHBondContact O-N 3.21Å; D80-E82 PolarHBondContact O-N 2.97Å; E82-R398 PolarHBondContact O-NE 3.44Å; E82-R398 PolarHBondContact O-NH2 3.14Å; E82-K509 HydrophobicContact CB-CD 4.36Å; E82-K509 PolarHBondContact O-NZ 3.3Å; E82-K509 VanDerWaalsContact O-NZ 3.12Å; E82-K509 IonicContact OE2-NZ 3.36Å; E82-K509 PolarHBondContact OE2-NZ 2.99Å; E82-F513 HydrophobicContact CB-CE2 4.21Å; E82-F513 HydrophobicContact CB-CZ 4.46Å; E82-F513 HydrophobicContact CG-CE2 4.47Å; E82-F513 HydrophobicContact CG-CZ 4.34Å
83V87.9Confident93.2Very high0 Ų031.3 Ų31.30%016%0.159CC..THydrogen-bonded Turntrans-123-47.6-176.7-179.90000111Q79 K509Q79-V83 WeakPolarHBondContact O-CA 3.45Å; Q79-V83 WeakPolarHBondContact O-CB 3.42Å; Q79-V83 PolarHBondContact O-N 2.96Å; V83-K509 HydrophobicContact CG2-CB 3.97Å; V83-K509 HydrophobicContact CG2-CD 3.57Å; V83-K509 HydrophobicContact CG2-CG 4.35Å
84G85.8Confident93.3Very high0 Ų030.6 Ų30.60%015%0.154CC..SBendtrans88.910.5-173.300000114.9Q79 D80 D391Q79-G84 PolarHBondContact O-N 3.05Å; D80-G84 WeakPolarHBondContact O-CA 3.41Å; D80-G84 PolarHBondContact O-N 3.47Å; G84-D391 WeakPolarHBondContact O-CB 3.32Å
85D88.2Confident93.5Very high35 Ų3524.9 Ų24.919%0.18713%0.128CC..SBendtrans-161.9164.2178.9-174.829.4000110.7Q79 T87 V395Q79-D85 WeakPolarHBondContact CG-O 3.3Å; Q79-D85 PolarHBondContact NE2-O 3.49Å; D85-T87 VanDerWaalsContact C-N 3.35Å; D85-V395 HydrophobicContact CB-CG2 3.38Å
86G91Very high93.5Very high8 Ų825 Ų258%0.08213%0.131CC..  trans79.117.8179.900000113.8S89 V90G86-S89 PolarHBondContact O-N 2.89Å; G86-V90 WeakPolarHBondContact O-CG1 3.46Å; G86-V90 PolarHBondContact O-N 2.89Å
87T93.2Very high93.6Very high7 Ų725 Ų254%0.04313%0.131CC..Hα-helixtrans-59.2-44.7179.257.10000111.7D54 A56 D80 D85 V90 V91D54-T87 PolarHBondContact OD1-OG1 2.84Å; A56-T87 HydrophobicContact CB-CG2 3.71Å; D80-T87 HydrophobicContact CB-CG2 3.75Å; D85-T87 VanDerWaalsContact C-N 3.35Å; T87-V90 VanDerWaalsContact O-CG1 3.27Å; T87-V90 WeakPolarHBondContact O-CG1 3.49Å; T87-V91 WeakPolarHBondContact O-CG2 3.32Å
88T94.2Very high93.7Very high10 Ų1022 Ų226%0.06112%0.117CC..Hα-helixtrans-68.6-45.2175.4-570000111.8V29 L33 G55 V90 V91 I92V29-T88 HydrophobicContact CB-CG2 4.05Å; V29-T88 HydrophobicContact CG2-CG2 4.21Å; V29-T88 VanDerWaalsContact O-CG2 3.31Å; V29-T88 WeakPolarHBondContact O-CG2 3.41Å; L33-T88 HydrophobicContact CB-CG2 3.91Å; L33-T88 HydrophobicContact CD1-CG2 3.91Å; L33-T88 HydrophobicContact CG-CG2 4.5Å; G55-T88 WeakPolarHBondContact CA-OG1 3.45Å; G55-T88 PolarHBondContact N-OG1 3.21Å; T88-V90 PolarHBondContact O-N 3.02Å; T88-V91 PolarHBondContact O-N 2.81Å; T88-I92 HydrophobicContact CG2-CD1 3.69Å; T88-I92 HydrophobicContact CG2-CG1 4.48Å; T88-I92 WeakPolarHBondContact O-CG1 3.41Å; T88-I92 PolarHBondContact O-N 3.31Å; T88-I92 VanDerWaalsContact O-N 3.13Å
89S94.9Very high93.8Very high27 Ų2723.8 Ų23.819%0.18912%0.122CC..Hα-helixtrans-63.5-40.7-176.4-59.50000112.7L33 G86 V91 I92 L93L33-S89 WeakPolarHBondContact CD1-OG 3.2Å; G86-S89 PolarHBondContact O-N 2.89Å; S89-V91 VanDerWaalsContact C-N 3.33Å; S89-V91 PolarHBondContact O-N 2.79Å; S89-I92 PolarHBondContact O-N 3.36Å; S89-L93 WeakPolarHBondContact O-CB 3.36Å; S89-L93 PolarHBondContact O-N 2.94Å
90V96.5Very high93.8Very high0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-64.9-37.9-178.971.70000111.7L75 Q79 G86 T87 T88 A94 F513 A514L75-V90 HydrophobicContact CD1-CG2 3.88Å; L75-V90 HydrophobicContact CD2-CG2 4.02Å; L75-V90 HydrophobicContact CG-CG1 4.17Å; L75-V90 HydrophobicContact CG-CG2 3.94Å; Q79-V90 HydrophobicContact CB-CG1 3.93Å; Q79-V90 HydrophobicContact CG-CB 4.46Å; Q79-V90 HydrophobicContact CG-CG1 4.02Å; G86-V90 WeakPolarHBondContact O-CG1 3.46Å; G86-V90 PolarHBondContact O-N 2.89Å; T87-V90 VanDerWaalsContact O-CG1 3.27Å; T87-V90 WeakPolarHBondContact O-CG1 3.49Å; T88-V90 PolarHBondContact O-N 3.02Å; V90-A94 WeakPolarHBondContact O-CB 3.34Å; V90-A94 PolarHBondContact O-N 3.18Å; V90-F513 HydrophobicContact CG2-CB 4.23Å; V90-A514 HydrophobicContact CG2-CB 3.92Å
91V96.9Very high94Very high0 Ų022.2 Ų22.20%011%0.113CC..Hα-helixtrans-70.1-44.8178175.50000111.3I25 A26 V29 L59 L72 A76 T87 T88 S89 L93 A94 A95I25-V91 HydrophobicContact CG2-CG1 3.96Å; A26-V91 HydrophobicContact CB-CG1 4.37Å; V29-V91 HydrophobicContact CG2-CB 4.3Å; V29-V91 HydrophobicContact CG2-CG1 4Å; L59-V91 HydrophobicContact CD1-CG1 4.29Å; L59-V91 HydrophobicContact CD1-CG2 3.75Å; L72-V91 HydrophobicContact CD1-CG1 4.49Å; A76-V91 HydrophobicContact CB-CG2 3.85Å; T87-V91 WeakPolarHBondContact O-CG2 3.32Å; T88-V91 PolarHBondContact O-N 2.81Å; S89-V91 VanDerWaalsContact C-N 3.33Å; S89-V91 PolarHBondContact O-N 2.79Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 PolarHBondContact O-N 3.1Å; V91-A94 PolarHBondContact O-N 3.44Å; V91-A95 WeakPolarHBondContact O-CB 3.37Å; V91-A95 PolarHBondContact O-N 3.19Å
92I97Very high94.1Very high3 Ų316.7 Ų16.72%0.0159%0.089CC..Hα-helixtrans-61.9-43.4178.1-66.1169.8000110.5V29 K30 L33 T88 S89 A95 A96 I445 Q448V29-I92 HydrophobicContact CG2-CG1 4.18Å; K30-I92 HydrophobicContact CG-CD1 3.94Å; K30-I92 HydrophobicContact CG-CG1 3.97Å; L33-I92 HydrophobicContact CB-CD1 4.05Å; L33-I92 HydrophobicContact CD1-CD1 4.41Å; L33-I92 HydrophobicContact CD2-CD1 3.84Å; L33-I92 HydrophobicContact CG-CD1 4.31Å; T88-I92 HydrophobicContact CG2-CD1 3.69Å; T88-I92 HydrophobicContact CG2-CG1 4.48Å; T88-I92 WeakPolarHBondContact O-CG1 3.41Å; T88-I92 PolarHBondContact O-N 3.31Å; T88-I92 VanDerWaalsContact O-N 3.13Å; S89-I92 PolarHBondContact O-N 3.36Å; I92-A95 PolarHBondContact O-N 3.33Å; I92-A96 WeakPolarHBondContact O-CB 3.42Å; I92-A96 PolarHBondContact O-N 3.38Å; I92-I445 HydrophobicContact CB-CD1 4.1Å; I92-I445 HydrophobicContact CG2-CD1 3.93Å; I92-Q448 HydrophobicContact CD1-CG 4.44Å
93L97.1Very high94.3Very high9 Ų915.4 Ų15.45%0.0478%0.083CC..Hα-helixtrans-65.6-45178.2-17761.9000111.7S89 V91 A95 A96 L97 M442 L511 A514S89-L93 WeakPolarHBondContact O-CB 3.36Å; S89-L93 PolarHBondContact O-N 2.94Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 PolarHBondContact O-N 3.1Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 3.25Å; L93-A96 PolarHBondContact O-N 2.82Å; L93-L97 HydrophobicContact CG-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CG 3.22Å; L93-L97 PolarHBondContact O-N 3.24Å; L93-M442 HydrophobicContact CD1-SD 3.89Å; L93-M442 HydrophobicContact CD2-SD 4.32Å; L93-L511 HydrophobicContact CD2-CD2 3.65Å; L93-A514 HydrophobicContact CB-CB 4.18Å; L93-A514 HydrophobicContact CD2-CB 3.93Å; L93-A514 HydrophobicContact CG-CB 4.02Å
94A97.2Very high94.6Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-59.6-43.9177.400000111.9L72 L75 V90 V91 L97 L98 A514L72-A94 HydrophobicContact CD2-CB 3.72Å; L75-A94 HydrophobicContact CD2-CB 3.82Å; V90-A94 WeakPolarHBondContact O-CB 3.34Å; V90-A94 PolarHBondContact O-N 3.18Å; V91-A94 PolarHBondContact O-N 3.44Å; A94-L97 PolarHBondContact O-N 3.23Å; A94-L98 WeakPolarHBondContact O-CG 3.32Å; A94-L98 PolarHBondContact O-N 3.41Å; A94-A514 HydrophobicContact CB-CB 4.08Å
95A97.1Very high94.9Very high4 Ų416.5 Ų16.53%0.0339%0.088CC..Hα-helixtrans-67.2-37.1176.400000112.8A26 V91 I92 L93 L98 K99A26-A95 HydrophobicContact CB-CB 3.36Å; V91-A95 WeakPolarHBondContact O-CB 3.37Å; V91-A95 PolarHBondContact O-N 3.19Å; I92-A95 PolarHBondContact O-N 3.33Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 3.25Å; A95-L98 PolarHBondContact O-N 2.85Å; A95-K99 WeakPolarHBondContact O-CB 3.3Å; A95-K99 PolarHBondContact O-N 3.36Å
96A97Very high95Very high14 Ų1418.1 Ų18.112%0.11610%0.102CC..Hα-helixtrans-64.6-41.8175.200000112I92 L93 K99 N100 A441I92-A96 WeakPolarHBondContact O-CB 3.42Å; I92-A96 PolarHBondContact O-N 3.38Å; L93-A96 PolarHBondContact O-N 2.82Å; A96-K99 PolarHBondContact O-N 3.14Å; A96-N100 PolarHBondContact O-N 3.5Å; A96-N100 PolarHBondContact O-OD1 3.47Å; A96-A441 HydrophobicContact CB-CB 4.21Å
97L97.2Very high95Very high0 Ų025.3 Ų25.30%013%0.127CC..Hα-helixtrans-60.7-45.2173.7-71.8171.6000111.4L93 A94 N100 A101 Y118 F438 A441 A514 A518L93-L97 HydrophobicContact CG-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CG 3.22Å; L93-L97 PolarHBondContact O-N 3.24Å; A94-L97 PolarHBondContact O-N 3.23Å; L97-N100 PolarHBondContact O-N 2.72Å; L97-A101 VanDerWaalsContact O-CB 3.24Å; L97-A101 WeakPolarHBondContact O-CB 3.34Å; L97-A101 PolarHBondContact O-N 2.95Å; L97-Y118 HydrophobicContact CB-CE2 4.04Å; L97-Y118 HydrophobicContact CD2-CD2 4.4Å; L97-Y118 HydrophobicContact CD2-CE2 4.01Å; L97-Y118 PolarHBondContact O-OH 2.76Å; L97-Y118 VanDerWaalsContact O-OH 3.07Å; L97-F438 HydrophobicContact CD1-CE2 4.08Å; L97-F438 HydrophobicContact CD2-CB 4.42Å; L97-F438 HydrophobicContact CD2-CD2 3.34Å; L97-F438 HydrophobicContact CD2-CE2 3.63Å; L97-F438 HydrophobicContact CD2-CG 3.92Å; L97-F438 HydrophobicContact CD2-CZ 4.42Å; L97-A441 HydrophobicContact CD2-CB 3.66Å; L97-A441 HydrophobicContact CG-CB 4.16Å; L97-A514 HydrophobicContact CD1-CB 4.46Å; L97-A518 HydrophobicContact CB-CB 3.91Å; L97-A518 HydrophobicContact CD1-CB 4.33Å
98L96.2Very high94.9Very high0 Ų034.1 Ų34.10%017%0.165CC..Hα-helixtrans-62.4-43.8177.4-74.1173.1000112.7V19 A22 A94 A95 A101 D102 A518 I521 L522V19-L98 HydrophobicContact CG2-CB 4.43Å; A22-L98 HydrophobicContact CB-CD1 3.52Å; A94-L98 WeakPolarHBondContact O-CG 3.32Å; A94-L98 PolarHBondContact O-N 3.41Å; A95-L98 PolarHBondContact O-N 2.85Å; L98-A101 PolarHBondContact O-N 3.47Å; L98-D102 PolarHBondContact O-N 2.94Å; L98-A518 HydrophobicContact CD2-CB 4.09Å; L98-A518 WeakPolarHBondContact CD2-O 3.49Å; L98-A518 HydrophobicContact CG-CB 4.09Å; L98-I521 HydrophobicContact CD1-CB 4.26Å; L98-I521 HydrophobicContact CD1-CD1 3.76Å; L98-I521 HydrophobicContact CD1-CG2 4.02Å; L98-I521 HydrophobicContact CD2-CB 3.92Å; L98-I521 HydrophobicContact CD2-CG2 3.8Å; L98-L522 HydrophobicContact CD2-CD1 4.4Å; L98-L522 HydrophobicContact CD2-CD2 4.12Å; L98-L522 HydrophobicContact CD2-CG 3.75Å
99K96.3Very high94.8Very high109 Ų10934.3 Ų34.347%0.47417%0.166SC..Hα-helixtrans-61.7-48.2177.9-176.1179.3176.5179.70111.8A95 A96 A101 D102 E103A95-K99 WeakPolarHBondContact O-CB 3.3Å; A95-K99 PolarHBondContact O-N 3.36Å; A96-K99 PolarHBondContact O-N 3.14Å; K99-A101 VanDerWaalsContact C-N 3.33Å; K99-A101 PolarHBondContact O-N 2.7Å; K99-D102 PolarHBondContact O-N 2.75Å; K99-E103 PolarHBondContact O-N 2.89Å
100N95.4Very high94.6Very high12 Ų1238.7 Ų38.76%0.06418%0.183CC..Hα-helixtrans-68.2-34.1179.9-67.83.4000111.8A96 L97 E103 L104 E437 A441A96-N100 PolarHBondContact O-N 3.5Å; A96-N100 PolarHBondContact O-OD1 3.47Å; L97-N100 PolarHBondContact O-N 2.72Å; N100-E103 PolarHBondContact O-N 2.93Å; N100-L104 PolarHBondContact O-N 3.46Å; N100-E437 HydrophobicContact CB-CB 4.11Å; N100-E437 PolarHBondContact ND2-O 3.48Å; N100-A441 WeakPolarHBondContact ND2-CA 3.39Å; N100-A441 WeakPolarHBondContact ND2-CB 3.36Å; N100-A441 PolarHBondContact ND2-N 2.83Å
101A95.2Very high94.4Very high0 Ų039.9 Ų39.90%019%0.191CC..Hα-helixtrans-64.3-39.6173.800000112.4L97 L98 K99 E103 L104 I105 V114 Y118 L522L97-A101 VanDerWaalsContact O-CB 3.24Å; L97-A101 WeakPolarHBondContact O-CB 3.34Å; L97-A101 PolarHBondContact O-N 2.95Å; L98-A101 PolarHBondContact O-N 3.47Å; K99-A101 VanDerWaalsContact C-N 3.33Å; K99-A101 PolarHBondContact O-N 2.7Å; A101-E103 VanDerWaalsContact C-N 3.32Å; A101-E103 PolarHBondContact O-N 2.93Å; A101-L104 WeakPolarHBondContact O-CB 3.44Å; A101-L104 PolarHBondContact O-N 2.86Å; A101-L104 VanDerWaalsContact O-N 3.14Å; A101-I105 VanDerWaalsContact O-CG1 3.32Å; A101-I105 WeakPolarHBondContact O-CG1 3.37Å; A101-I105 PolarHBondContact O-N 3.26Å; A101-V114 HydrophobicContact CB-CG1 3.87Å; A101-Y118 HydrophobicContact CB-CE2 4.01Å; A101-Y118 PolarHBondContact N-OH 2.77Å; A101-L522 HydrophobicContact CB-CD1 3.64Å; A101-L522 HydrophobicContact CB-CD2 3.59Å; A101-L522 HydrophobicContact CB-CG 4.24Å
102D93.7Very high94.2Very high31 Ų3143.3 Ų43.317%0.16621%0.212CC..Hα-helixtrans-62.7-39.1175.5-166.752.9000111.8V19 L98 K99 L104 I105 S106V19-D102 HydrophobicContact CG1-CB 4.36Å; V19-D102 HydrophobicContact CG2-CB 3.9Å; L98-D102 PolarHBondContact O-N 2.94Å; K99-D102 PolarHBondContact O-N 2.75Å; D102-L104 VanDerWaalsContact C-N 3.28Å; D102-L104 PolarHBondContact O-N 3.09Å; D102-I105 PolarHBondContact O-N 3.16Å; D102-S106 WeakPolarHBondContact O-CB 3.43Å; D102-S106 PolarHBondContact O-N 2.87Å; D102-S106 PolarHBondContact O-OG 3.24Å
103E92.9Very high94.1Very high55 Ų5544.8 Ų44.826%0.25722%0.221SC..Hα-helixtrans-60.4-35.9172.9-69.7-176.5-162.400112K99 N100 A101 S106 R107 R440K99-E103 PolarHBondContact O-N 2.89Å; N100-E103 PolarHBondContact O-N 2.93Å; A101-E103 VanDerWaalsContact C-N 3.32Å; A101-E103 PolarHBondContact O-N 2.93Å; E103-S106 PolarHBondContact O-OG 3.15Å; E103-R107 WeakPolarHBondContact O-CG 3.39Å; E103-R107 PolarHBondContact O-N 3.14Å; E103-R440 IonicContact OE2-NH2 2.97Å
104L93.4Very high94Very high5 Ų544.4 Ų44.43%0.02622%0.219CC..Hα-helixtrans-72.9-41174.5-69.1177.6000112.7N100 A101 D102 S106 R107 V109 V114 L433 A434 E437N100-L104 PolarHBondContact O-N 3.46Å; A101-L104 WeakPolarHBondContact O-CB 3.44Å; A101-L104 PolarHBondContact O-N 2.86Å; A101-L104 VanDerWaalsContact O-N 3.14Å; D102-L104 VanDerWaalsContact C-N 3.28Å; D102-L104 PolarHBondContact O-N 3.09Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 3.07Å; L104-R107 CarbonylContact O-C 3.48Å; L104-R107 WeakPolarHBondContact O-CA 3.4Å; L104-R107 WeakPolarHBondContact O-CB 3.49Å; L104-R107 PolarHBondContact O-N 3.31Å; L104-R107 VanDerWaalsContact O-N 3.07Å; L104-V109 HydrophobicContact CB-CB 4.3Å; L104-V109 HydrophobicContact CB-CG2 4.43Å; L104-V109 WeakPolarHBondContact O-CB 3.35Å; L104-V109 WeakPolarHBondContact O-CG2 3.31Å; L104-V109 PolarHBondContact O-N 3.12Å; L104-V114 HydrophobicContact CB-CG2 4.12Å; L104-V114 HydrophobicContact CD1-CG1 4.26Å; L104-V114 HydrophobicContact CD1-CG2 4.15Å; L104-L433 HydrophobicContact CD2-CB 4.16Å; L104-A434 HydrophobicContact CD1-CB 4.26Å; L104-E437 HydrophobicContact CD1-CB 3.89Å; L104-E437 HydrophobicContact CD1-CG 3.74Å; L104-E437 HydrophobicContact CD2-CG 3.75Å; L104-E437 HydrophobicContact CG-CB 4.37Å; L104-E437 HydrophobicContact CG-CG 3.74Å
105I92.4Very high93.9Very high17 Ų1744.9 Ų44.99%0.08722%0.222CC..Hα-helixtrans-65.5-39.2-179.8-67.8165000110.4A101 D102 R107 F108 P111 L522A101-I105 VanDerWaalsContact O-CG1 3.32Å; A101-I105 WeakPolarHBondContact O-CG1 3.37Å; A101-I105 PolarHBondContact O-N 3.26Å; D102-I105 PolarHBondContact O-N 3.16Å; I105-R107 PolarHBondContact O-N 2.92Å; I105-F108 PolarHBondContact O-N 2.99Å; I105-P111 HydrophobicContact CD1-CB 4.25Å; I105-P111 HydrophobicContact CD1-CG 3.96Å; I105-P111 HydrophobicContact CG1-CG 4.15Å; I105-L522 HydrophobicContact CD1-CD2 3.88Å
106S90.5Very high93.8Very high69 Ų6947.8 Ų47.848%0.48324%0.237SC..Hα-helixtrans-63.7-22.1173.767.70000113.3D102 E103 L104 F108D102-S106 WeakPolarHBondContact O-CB 3.43Å; D102-S106 PolarHBondContact O-N 2.87Å; D102-S106 PolarHBondContact O-OG 3.24Å; E103-S106 PolarHBondContact O-OG 3.15Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 3.07Å; S106-F108 VanDerWaalsContact C-N 3.27Å; S106-F108 PolarHBondContact O-N 2.71Å
107R91.5Very high93.7Very high159 Ų15947.1 Ų47.160%0.623%0.231SC*.THydrogen-bonded Turntrans-90.322.3171.2-63.2177.1-170.6173.68.5113.3E103 L104 I105 V109E103-R107 WeakPolarHBondContact O-CG 3.39Å; E103-R107 PolarHBondContact O-N 3.14Å; L104-R107 CarbonylContact O-C 3.48Å; L104-R107 WeakPolarHBondContact O-CA 3.4Å; L104-R107 WeakPolarHBondContact O-CB 3.49Å; L104-R107 PolarHBondContact O-N 3.31Å; L104-R107 VanDerWaalsContact O-N 3.07Å; I105-R107 PolarHBondContact O-N 2.92Å; R107-V109 VanDerWaalsContact C-N 3.29Å; R107-V109 PolarHBondContact O-N 2.89Å
108F89.9Confident93.7Very high192 Ų19247.1 Ų47.184%0.84223%0.231SC*.THydrogen-bonded Turntrans64.624177-52.4-79.3000115.2I105 S106I105-F108 PolarHBondContact O-N 2.99Å; S106-F108 VanDerWaalsContact C-N 3.27Å; S106-F108 PolarHBondContact O-N 2.71Å
109V91.9Very high93.7Very high15 Ų1551.7 Ų51.79%0.09125%0.248CC..  trans-82.8125.7168-175.10000109.2L104 R107 T113 V114 L433L104-V109 HydrophobicContact CB-CB 4.3Å; L104-V109 HydrophobicContact CB-CG2 4.43Å; L104-V109 WeakPolarHBondContact O-CB 3.35Å; L104-V109 WeakPolarHBondContact O-CG2 3.31Å; L104-V109 PolarHBondContact O-N 3.12Å; R107-V109 VanDerWaalsContact C-N 3.29Å; R107-V109 PolarHBondContact O-N 2.89Å; V109-T113 HydrophobicContact CG1-CG2 4.27Å; V109-V114 HydrophobicContact CB-CG2 4.42Å; V109-V114 HydrophobicContact CG1-CG2 3.83Å; V109-L433 HydrophobicContact CG2-CD1 4.33Å
110H91.8Very high93.6Very high119 Ų11947.7 Ų47.755%0.55123%0.232SC*.  trans-64.3136.2-179.1-166.7-90.9000111.3T112 T113 V114H110-T112 PolarHBondContact CE1-OG1 3.41Å; H110-T112 WeakPolarHBondContact ND1-CB 3.41Å; H110-T112 PolarHBondContact ND1-N 3.42Å; H110-T112 PolarHBondContact ND1-OG1 3.29Å; H110-T112 PolarHBondContact O-N 3.13Å; H110-T112 VanDerWaalsContact O-N 3.11Å; H110-T113 WeakPolarHBondContact O-CB 3.39Å; H110-T113 PolarHBondContact O-N 3.4Å; H110-V114 PolarHBondContact O-N 3.26Å
111P92.4Very high93.7Very high24 Ų2447.1 Ų47.116%0.15623%0.229CC..Hα-helixtrans-52.3-37.3-178.4-29.134.5000114.2I105 T113 V114 I115I105-P111 HydrophobicContact CD1-CB 4.25Å; I105-P111 HydrophobicContact CD1-CG 3.96Å; I105-P111 HydrophobicContact CG1-CG 4.15Å; P111-T113 VanDerWaalsContact C-N 3.3Å; P111-T113 PolarHBondContact O-N 2.96Å; P111-V114 WeakPolarHBondContact O-CB 3.29Å; P111-V114 PolarHBondContact O-N 3.29Å; P111-V114 VanDerWaalsContact O-N 3.13Å; P111-I115 VanDerWaalsContact O-CG1 3.28Å; P111-I115 WeakPolarHBondContact O-CG1 3.37Å; P111-I115 PolarHBondContact O-N 3Å
112T93Very high93.8Very high72 Ų7247.8 Ų47.844%0.44223%0.233SC..Hα-helixtrans-59.3-37.9176.4-46.50000113.1H110 I115 N116H110-T112 PolarHBondContact CE1-OG1 3.41Å; H110-T112 WeakPolarHBondContact ND1-CB 3.41Å; H110-T112 PolarHBondContact ND1-N 3.42Å; H110-T112 PolarHBondContact ND1-OG1 3.29Å; H110-T112 PolarHBondContact O-N 3.13Å; H110-T112 VanDerWaalsContact O-N 3.11Å; T112-I115 PolarHBondContact O-N 2.97Å; T112-N116 VanDerWaalsContact O-CG 3.29Å; T112-N116 PolarHBondContact O-N 2.85Å
113T94.1Very high93.9Very high35 Ų3554 Ų5422%0.21525%0.254CS..Hα-helixtrans-68.1-39176.7-54.70000110.7V109 H110 P111 N116 G117 R430 E431V109-T113 HydrophobicContact CG1-CG2 4.27Å; H110-T113 WeakPolarHBondContact O-CB 3.39Å; H110-T113 PolarHBondContact O-N 3.4Å; P111-T113 VanDerWaalsContact C-N 3.3Å; P111-T113 PolarHBondContact O-N 2.96Å; T113-N116 PolarHBondContact O-N 2.87Å; T113-G117 PolarHBondContact O-N 3.05Å; T113-R430 HydrophobicContact CG2-CB 3.94Å; T113-E431 HydrophobicContact CG2-CG 4.06Å
114V94.9Very high94.1Very high0 Ų053.1 Ų53.10%025%0.251CS..Hα-helixtrans-63.2-46.4174.6-175.20000110.8A101 L104 V109 H110 P111 N116 G117 Y118 A434A101-V114 HydrophobicContact CB-CG1 3.87Å; L104-V114 HydrophobicContact CB-CG2 4.12Å; L104-V114 HydrophobicContact CD1-CG1 4.26Å; L104-V114 HydrophobicContact CD1-CG2 4.15Å; V109-V114 HydrophobicContact CB-CG2 4.42Å; V109-V114 HydrophobicContact CG1-CG2 3.83Å; H110-V114 PolarHBondContact O-N 3.26Å; P111-V114 WeakPolarHBondContact O-CB 3.29Å; P111-V114 PolarHBondContact O-N 3.29Å; P111-V114 VanDerWaalsContact O-N 3.13Å; V114-N116 PolarHBondContact O-N 3.42Å; V114-G117 PolarHBondContact O-N 2.63Å; V114-Y118 HydrophobicContact CG1-CD1 4.17Å; V114-Y118 HydrophobicContact CG1-CD2 4.45Å; V114-Y118 HydrophobicContact CG1-CE1 3.86Å; V114-Y118 HydrophobicContact CG1-CE2 4.16Å; V114-Y118 HydrophobicContact CG1-CG 4.47Å; V114-Y118 WeakPolarHBondContact O-CD1 3.14Å; V114-Y118 PolarHBondContact O-N 2.73Å; V114-A434 HydrophobicContact CG1-CB 4.38Å
115I95.3Very high94.2Very high11 Ų1152.9 Ų52.96%0.05625%0.249CC..Hα-helixtrans-59.3-46.2178.2-69.8163.5000111.4P111 T112 Y118 R119 I519 L522 R523P111-I115 VanDerWaalsContact O-CG1 3.28Å; P111-I115 WeakPolarHBondContact O-CG1 3.37Å; P111-I115 PolarHBondContact O-N 3Å; T112-I115 PolarHBondContact O-N 2.97Å; I115-Y118 PolarHBondContact O-N 2.87Å; I115-R119 WeakPolarHBondContact O-CG 3.44Å; I115-R119 PolarHBondContact O-N 2.85Å; I115-I519 HydrophobicContact CD1-CG2 4.43Å; I115-I519 HydrophobicContact CG1-CG1 4.41Å; I115-I519 HydrophobicContact CG1-CG2 4.2Å; I115-I519 HydrophobicContact CG2-CD1 4.23Å; I115-I519 HydrophobicContact CG2-CG1 4.09Å; I115-I519 HydrophobicContact CG2-CG2 3.69Å; I115-L522 HydrophobicContact CD1-CB 4.49Å; I115-L522 HydrophobicContact CG1-CB 4.46Å; I115-R523 HydrophobicContact CD1-CG 3.51Å
116N94.7Very high94.4Very high64 Ų6452.6 Ų52.634%0.34225%0.248SC..Hα-helixtrans-63-44178.5-72.3-10.9000111.5T112 T113 V114 Y118 R119 L120 E431T112-N116 VanDerWaalsContact O-CG 3.29Å; T112-N116 PolarHBondContact O-N 2.85Å; T113-N116 PolarHBondContact O-N 2.87Å; V114-N116 PolarHBondContact O-N 3.42Å; N116-Y118 PolarHBondContact O-N 2.82Å; N116-R119 PolarHBondContact O-N 2.74Å; N116-L120 PolarHBondContact O-N 2.91Å; N116-E431 WeakPolarHBondContact CB-OE1 3.39Å
117G95.3Very high94.7Very high0 Ų053.8 Ų53.80%025%0.245CC..Hα-helixtrans-60.4-43.2174.700000112.7T113 V114 L120 A121T113-G117 PolarHBondContact O-N 3.05Å; V114-G117 PolarHBondContact O-N 2.63Å; G117-L120 PolarHBondContact O-N 2.9Å; G117-A121 WeakPolarHBondContact O-CB 3.48Å; G117-A121 PolarHBondContact O-N 2.85Å
118Y96.9Very high94.9Very high0 Ų046.9 Ų46.90%022%0.219CC..Hα-helixtrans-64.9-40177.5-78.113.2000112.3L97 A101 V114 I115 N116 L120 A121 C122 A434 F438 L522L97-Y118 HydrophobicContact CB-CE2 4.04Å; L97-Y118 HydrophobicContact CD2-CD2 4.4Å; L97-Y118 HydrophobicContact CD2-CE2 4.01Å; L97-Y118 PolarHBondContact O-OH 2.76Å; L97-Y118 VanDerWaalsContact O-OH 3.07Å; A101-Y118 HydrophobicContact CB-CE2 4.01Å; A101-Y118 PolarHBondContact N-OH 2.77Å; V114-Y118 HydrophobicContact CG1-CD1 4.17Å; V114-Y118 HydrophobicContact CG1-CD2 4.45Å; V114-Y118 HydrophobicContact CG1-CE1 3.86Å; V114-Y118 HydrophobicContact CG1-CE2 4.16Å; V114-Y118 HydrophobicContact CG1-CG 4.47Å; V114-Y118 WeakPolarHBondContact O-CD1 3.14Å; V114-Y118 PolarHBondContact O-N 2.73Å; I115-Y118 PolarHBondContact O-N 2.87Å; N116-Y118 PolarHBondContact O-N 2.82Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 2.88Å; Y118-A121 PolarHBondContact O-N 2.77Å; Y118-C122 VanDerWaalsContact O-CB 3.29Å; Y118-C122 WeakPolarHBondContact O-CB 3.4Å; Y118-C122 PolarHBondContact O-N 2.9Å; Y118-A434 HydrophobicContact CD1-CB 4.32Å; Y118-A434 HydrophobicContact CE1-CB 4.42Å; Y118-A434 VanDerWaalsContact CE1-O 3.26Å; Y118-A434 WeakPolarHBondContact CE1-O 3.5Å; Y118-F438 HydrophobicContact CD1-CB 3.97Å; Y118-F438 AromaticContact CD1-CD2 3.85Å; Y118-F438 HydrophobicContact CD1-CD2 3.85Å; Y118-F438 HydrophobicContact CD1-CG 4.41Å; Y118-F438 HydrophobicContact CD2-CD2 4.35Å; Y118-F438 HydrophobicContact CE1-CB 3.94Å; Y118-F438 HydrophobicContact CE1-CD2 4.3Å; Y118-F438 AromaticContact CG-CD2 3.86Å; Y118-F438 HydrophobicContact CG-CD2 3.86Å; Y118-L522 HydrophobicContact CD2-CD1 4.46Å; Y118-L522 HydrophobicContact CE2-CD1 4.28Å
119R96Very high95.1Very high96 Ų9637.8 Ų37.836%0.36218%0.179SC..Hα-helixtrans-64.5-36.2174.1-74.5-179.6172.4161.5-2.7112.8I115 N116 R123 I519I115-R119 WeakPolarHBondContact O-CG 3.44Å; I115-R119 PolarHBondContact O-N 2.85Å; N116-R119 PolarHBondContact O-N 2.74Å; R119-R123 WeakPolarHBondContact O-CG 3.48Å; R119-R123 PolarHBondContact O-N 3.25Å; R119-R123 PolarHBondContact O-NE 3.14Å; R119-R123 VanDerWaalsContact O-NE 3.16Å; R119-I519 HydrophobicContact CG-CD1 3.55Å
120L95.4Very high95.2Very high26 Ų2641.2 Ų41.214%0.13619%0.194CC..Hα-helixtrans-70.4-48.2175.8-175.358.3000110.7N116 G117 Y118 C122 R123 E124 Y423 L427 I435N116-L120 PolarHBondContact O-N 2.91Å; G117-L120 PolarHBondContact O-N 2.9Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 2.88Å; L120-C122 VanDerWaalsContact C-N 3.35Å; L120-C122 PolarHBondContact O-N 2.81Å; L120-R123 PolarHBondContact O-N 3.12Å; L120-E124 HydrophobicContact CD1-CG 4.49Å; L120-E124 PolarHBondContact O-N 2.98Å; L120-Y423 HydrophobicContact CD2-CE1 4.26Å; L120-Y423 HydrophobicContact CG-CE1 4.21Å; L120-L427 HydrophobicContact CD2-CD1 3.89Å; L120-I435 HydrophobicContact CB-CD1 4.49Å; L120-I435 HydrophobicContact CD2-CD1 3.99Å; L120-I435 HydrophobicContact CG-CD1 4.24Å
121A96.4Very high95.3Very high0 Ų041.2 Ų41.20%020%0.195CC..Hα-helixtrans-56.7-44.9176.500000112.4G117 Y118 R123 E124 A125 L420 I435 F438G117-A121 WeakPolarHBondContact O-CB 3.48Å; G117-A121 PolarHBondContact O-N 2.85Å; Y118-A121 PolarHBondContact O-N 2.77Å; A121-R123 PolarHBondContact O-N 3.26Å; A121-E124 PolarHBondContact O-N 2.86Å; A121-A125 WeakPolarHBondContact O-CB 3.05Å; A121-A125 PolarHBondContact O-N 2.82Å; A121-L420 HydrophobicContact CB-CD1 4.2Å; A121-L420 HydrophobicContact CB-CD2 4.36Å; A121-I435 HydrophobicContact CB-CG1 4.24Å; A121-I435 HydrophobicContact CB-CG2 4.16Å; A121-F438 HydrophobicContact CB-CB 3.93Å; A121-F438 HydrophobicContact CB-CD1 3.7Å; A121-F438 HydrophobicContact CB-CD2 4Å; A121-F438 HydrophobicContact CB-CE1 4.2Å; A121-F438 HydrophobicContact CB-CE2 4.47Å; A121-F438 HydrophobicContact CB-CG 3.6Å
122C96.8Very high95.2Very high13 Ų1344.1 Ų44.19%0.08821%0.206CC..Hα-helixtrans-62.4-40.8178.1-177.60000112.4Y118 L120 C126 F438 T515Y118-C122 VanDerWaalsContact O-CB 3.29Å; Y118-C122 WeakPolarHBondContact O-CB 3.4Å; Y118-C122 PolarHBondContact O-N 2.9Å; L120-C122 VanDerWaalsContact C-N 3.35Å; L120-C122 PolarHBondContact O-N 2.81Å; C122-C126 WeakPolarHBondContact O-CB 3.32Å; C122-C126 PolarHBondContact O-N 2.87Å; C122-C126 PolarHBondContact O-SG 3.2Å; C122-F438 HydrophobicContact CB-CE2 4.5Å; C122-F438 HydrophobicContact CB-CZ 4.3Å; C122-T515 HydrophobicContact CB-CG2 3.96Å
123R96.7Very high95.1Very high161 Ų16140.7 Ų40.761%0.60819%0.185SC*.Hα-helixtrans-63.5-49.9177.2-78.4-177.2-73.3158.3-3.9111.6R119 L120 A121 C126 K127R119-R123 WeakPolarHBondContact O-CG 3.48Å; R119-R123 PolarHBondContact O-N 3.25Å; R119-R123 PolarHBondContact O-NE 3.14Å; R119-R123 VanDerWaalsContact O-NE 3.16Å; L120-R123 PolarHBondContact O-N 3.12Å; A121-R123 PolarHBondContact O-N 3.26Å; R123-C126 PolarHBondContact O-N 3.12Å; R123-K127 WeakPolarHBondContact O-CB 3.43Å; R123-K127 PolarHBondContact O-N 3.49Å; R123-K127 VanDerWaalsContact O-N 3.08Å
124E96.4Very high94.9Very high38 Ų3840.4 Ų40.418%0.17819%0.186CC..Hα-helixtrans-66.5-38.4179-67.8-57140.500111.8L120 A121 K127 Y128 Y419 L420 Y423L120-E124 HydrophobicContact CD1-CG 4.49Å; L120-E124 PolarHBondContact O-N 2.98Å; A121-E124 PolarHBondContact O-N 2.86Å; E124-K127 PolarHBondContact O-N 3.13Å; E124-Y128 WeakPolarHBondContact O-CB 3.34Å; E124-Y128 PolarHBondContact O-N 3.41Å; E124-Y419 HydrophobicContact CB-CE1 4.17Å; E124-Y419 PolarHBondContact OE2-OH 3.05Å; E124-L420 HydrophobicContact CB-CD2 4.18Å; E124-Y423 HydrophobicContact CG-CD1 4.4Å; E124-Y423 HydrophobicContact CG-CE1 3.86Å; E124-Y423 HydrophobicContact CG-CE2 4.21Å
125A96.8Very high94.7Very high0 Ų043.2 Ų43.20%020%0.197CC..Hα-helixtrans-60.2-48.9173.900000112.2A121 K127 Y128 I129 V416 L420A121-A125 WeakPolarHBondContact O-CB 3.05Å; A121-A125 PolarHBondContact O-N 2.82Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 2.93Å; A125-Y128 PolarHBondContact O-N 3.48Å; A125-I129 VanDerWaalsContact O-CG1 3.27Å; A125-I129 WeakPolarHBondContact O-CG1 3.45Å; A125-I129 PolarHBondContact O-N 3.3Å; A125-V416 HydrophobicContact CB-CG1 3.56Å; A125-L420 HydrophobicContact CB-CD1 4.28Å
126C96.3Very high94.4Very high10 Ų1045.7 Ų45.77%0.06821%0.21CC..Hα-helixtrans-59.8-43.1178-70.90000111.5C122 R123 Q130C122-C126 WeakPolarHBondContact O-CB 3.32Å; C122-C126 PolarHBondContact O-N 2.87Å; C122-C126 PolarHBondContact O-SG 3.2Å; R123-C126 PolarHBondContact O-N 3.12Å; C126-Q130 VanDerWaalsContact O-CG 3.31Å; C126-Q130 WeakPolarHBondContact O-CG 3.45Å; C126-Q130 PolarHBondContact O-N 3.08Å; C126-Q130 VanDerWaalsContact O-N 3.14Å
127K96.3Very high94Very high95 Ų9543 Ų4341%0.41320%0.196SC..Hα-helixtrans-62.3-48.1177.6-175.6-177.4174.2-170.10111.3R123 E124 A125 I129 Q130 E131R123-K127 WeakPolarHBondContact O-CB 3.43Å; R123-K127 PolarHBondContact O-N 3.49Å; R123-K127 VanDerWaalsContact O-N 3.08Å; E124-K127 PolarHBondContact O-N 3.13Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 2.93Å; K127-I129 PolarHBondContact O-N 2.89Å; K127-Q130 PolarHBondContact O-N 3.03Å; K127-E131 WeakPolarHBondContact CE-OE1 3.38Å; K127-E131 HydrophobicContact CG-CG 4.47Å; K127-E131 WeakPolarHBondContact CG-OE1 3.46Å; K127-E131 WeakPolarHBondContact O-CG 3.5Å; K127-E131 PolarHBondContact O-N 3.17Å
128Y95.6Very high93.4Very high14 Ų1447.8 Ų47.86%0.05522%0.222CC..Hα-helixtrans-57.4-46.6178.3179.4-96.4000112.3E124 A125 Q130 E131 H132 M133 A415 V416 Y419 Q472E124-Y128 WeakPolarHBondContact O-CB 3.34Å; E124-Y128 PolarHBondContact O-N 3.41Å; A125-Y128 PolarHBondContact O-N 3.48Å; Y128-Q130 VanDerWaalsContact C-N 3.35Å; Y128-Q130 PolarHBondContact O-N 3.15Å; Y128-E131 PolarHBondContact O-N 2.87Å; Y128-H132 HydrophobicContact CD2-CB 4.31Å; Y128-H132 AromaticContact CD2-ND1 3.67Å; Y128-H132 HydrophobicContact CE2-CB 3.96Å; Y128-H132 AromaticContact CE2-CG 3.84Å; Y128-H132 AromaticContact CE2-ND1 3.96Å; Y128-H132 WeakPolarHBondContact O-CB 3.23Å; Y128-H132 PolarHBondContact O-N 2.83Å; Y128-H132 PolarHBondContact O-ND1 3.36Å; Y128-M133 HydrophobicContact CD1-CG 4.35Å; Y128-M133 HydrophobicContact CE1-CG 3.92Å; Y128-M133 HydrophobicContact CE1-SD 4.24Å; Y128-A415 HydrophobicContact CE1-CB 3.97Å; Y128-V416 HydrophobicContact CD1-CG2 4.09Å; Y128-Y419 HydrophobicContact CD1-CG 4.43Å; Y128-Y419 AromaticContact CD2-CD1 3.88Å; Y128-Y419 HydrophobicContact CD2-CD1 3.88Å; Y128-Y419 AromaticContact CD2-CD2 3.49Å; Y128-Y419 HydrophobicContact CD2-CD2 3.49Å; Y128-Y419 VanDerWaalsContact CD2-CD2 3.49Å; Y128-Y419 HydrophobicContact CD2-CE1 4.15Å; Y128-Y419 AromaticContact CD2-CE2 3.8Å; Y128-Y419 HydrophobicContact CD2-CE2 3.8Å; Y128-Y419 AromaticContact CD2-CG 3.53Å; Y128-Y419 HydrophobicContact CD2-CG 3.53Å; Y128-Y419 AromaticContact CE2-CD2 3.74Å; Y128-Y419 HydrophobicContact CE2-CD2 3.74Å; Y128-Y419 HydrophobicContact CE2-CE2 4.36Å; Y128-Y419 AromaticContact CE2-CG 3.9Å; Y128-Y419 HydrophobicContact CE2-CG 3.9Å; Y128-Y419 AromaticContact CG-CD1 3.79Å; Y128-Y419 HydrophobicContact CG-CD1 3.79Å; Y128-Y419 HydrophobicContact CG-CD2 4.25Å; Y128-Y419 HydrophobicContact CG-CE1 4.16Å; Y128-Y419 AromaticContact CG-CG 3.83Å; Y128-Y419 HydrophobicContact CG-CG 3.83Å; Y128-Q472 PolarHBondContact OH-NE2 3.34Å
129I94.8Very high92.7Very high0 Ų054.8 Ų54.80%025%0.252CS..Iπ-helixtrans-60.4-45.9178.8-63.9168000110.7A125 K127 E131 M133 A134 V406 V416 L504 L511A125-I129 VanDerWaalsContact O-CG1 3.27Å; A125-I129 WeakPolarHBondContact O-CG1 3.45Å; A125-I129 PolarHBondContact O-N 3.3Å; K127-I129 PolarHBondContact O-N 2.89Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.15Å; I129-M133 HydrophobicContact CG2-CB 4.34Å; I129-M133 WeakPolarHBondContact O-CB 3.46Å; I129-M133 PolarHBondContact O-N 2.92Å; I129-M133 VanDerWaalsContact O-N 3.14Å; I129-A134 PolarHBondContact O-N 2.9Å; I129-V406 HydrophobicContact CG2-CG1 3.93Å; I129-V416 HydrophobicContact CD1-CG2 3.88Å; I129-V416 HydrophobicContact CG1-CG2 3.6Å; I129-L504 HydrophobicContact CG2-CD1 3.48Å; I129-L504 VanDerWaalsContact CG2-CD1 3.48Å; I129-L511 HydrophobicContact CD1-CD1 3.35Å
130Q93.7Very high91.8Very high88 Ų8853.1 Ų53.141%0.41125%0.25SC..Iπ-helixtrans-64.4-36.9-178.5-74.5178.7-22.800113.3C126 K127 Y128 I508C126-Q130 VanDerWaalsContact O-CG 3.31Å; C126-Q130 WeakPolarHBondContact O-CG 3.45Å; C126-Q130 PolarHBondContact O-N 3.08Å; C126-Q130 VanDerWaalsContact O-N 3.14Å; K127-Q130 PolarHBondContact O-N 3.03Å; Y128-Q130 VanDerWaalsContact C-N 3.35Å; Y128-Q130 PolarHBondContact O-N 3.15Å; Q130-I508 HydrophobicContact CG-CD1 3.6Å
131E92.7Very high91.2Very high119 Ų11953.6 Ų53.656%0.55626%0.261SS*.Iπ-helixtrans-86.4-39.9-175.6-70.5175.3179.800112.7K127 Y128 I129K127-E131 WeakPolarHBondContact CE-OE1 3.38Å; K127-E131 HydrophobicContact CG-CG 4.47Å; K127-E131 WeakPolarHBondContact CG-OE1 3.46Å; K127-E131 WeakPolarHBondContact O-CG 3.5Å; K127-E131 PolarHBondContact O-N 3.17Å; Y128-E131 PolarHBondContact O-N 2.87Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.15Å
132H90.7Very high90.8Very high85 Ų8557.8 Ų57.839%0.39428%0.279SS..Iπ-helixtrans-111.5-26.8-166.1-60.982000114.4Y128 K481Y128-H132 HydrophobicContact CD2-CB 4.31Å; Y128-H132 AromaticContact CD2-ND1 3.67Å; Y128-H132 HydrophobicContact CE2-CB 3.96Å; Y128-H132 AromaticContact CE2-CG 3.84Å; Y128-H132 AromaticContact CE2-ND1 3.96Å; Y128-H132 WeakPolarHBondContact O-CB 3.23Å; Y128-H132 PolarHBondContact O-N 2.83Å; Y128-H132 PolarHBondContact O-ND1 3.36Å; H132-K481 WeakPolarHBondContact O-CE 3.4Å; H132-K481 PolarHBondContact O-NZ 2.77Å
133M90.5Very high90.4Very high0 Ų059.9 Ų59.90%030%0.298CS..Iπ-helixtrans-107.3-15.9-172-58.3-63.4-72.600113.4Y128 I129 V406 P407 A415 K481 W482Y128-M133 HydrophobicContact CD1-CG 4.35Å; Y128-M133 HydrophobicContact CE1-CG 3.92Å; Y128-M133 HydrophobicContact CE1-SD 4.24Å; I129-M133 HydrophobicContact CG2-CB 4.34Å; I129-M133 WeakPolarHBondContact O-CB 3.46Å; I129-M133 PolarHBondContact O-N 2.92Å; I129-M133 VanDerWaalsContact O-N 3.14Å; M133-V406 HydrophobicContact CB-CG1 4.46Å; M133-P407 HydrophobicContact CE-CG 3.57Å; M133-A415 HydrophobicContact CE-CB 3.71Å; M133-A415 HydrophobicContact SD-CB 3.9Å; M133-K481 WeakPolarHBondContact CE-O 3.34Å; M133-K481 HydrophobicContact SD-CB 4.22Å; M133-W482 WeakPolarHBondContact O-CH2 3.26Å; M133-W482 WeakPolarHBondContact O-CZ3 3.39Å
134A90.9Very high89.9Confident28 Ų2852.2 Ų52.223%0.23127%0.269CS..  trans-73137-179.100000112.4I129 I405 L504I129-A134 PolarHBondContact O-N 2.9Å; A134-I405 CarbonylContact C-O 3.58Å; A134-I405 WeakPolarHBondContact CA-O 3.46Å; A134-L504 HydrophobicContact CB-CD1 4.42Å; A134-L504 HydrophobicContact CB-CD2 4.15Å
135Y89.8Confident89.7Confident59 Ų5950.9 Ų50.923%0.23126%0.263CS..EExtended strand (participates in β ladder)trans-125.1143.3173.1-166.8-100.5000110.9K139 L140 R404 I405 W482Y135-K139 HydrophobicContact CE1-CB 3.8Å; Y135-K139 HydrophobicContact CE1-CD 4.32Å; Y135-K139 HydrophobicContact CE2-CD 4.22Å; Y135-K139 WeakPolarHBondContact OH-CB 3.04Å; Y135-L140 HydrophobicContact CD1-CD1 4.19Å; Y135-L140 HydrophobicContact CD1-CG 4.38Å; Y135-L140 HydrophobicContact CE1-CD1 4.14Å; Y135-L140 HydrophobicContact CE1-CD2 4.27Å; Y135-L140 HydrophobicContact CE1-CG 3.84Å; Y135-R404 WeakPolarHBondContact O-CA 3.38Å; Y135-I405 HydrophobicContact CD1-CD1 4.38Å; Y135-I405 HydrophobicContact CD1-CG1 4.49Å; Y135-I405 PolarHBondContact N-O 2.84Å; Y135-I405 PolarHBondContact O-N 3.44Å; Y135-W482 HydrophobicContact CD2-CH2 4.27Å; Y135-W482 HydrophobicContact CD2-CZ2 4.44Å; Y135-W482 HydrophobicContact CG-CH2 4.41Å
136D90Very high89.5Confident64 Ų6452.5 Ų52.534%0.34227%0.271SS..EExtended strand (participates in β ladder)trans-81121.8178.9-170.7-23.5000110.5N138 K139 K403D136-N138 VanDerWaalsContact C-N 3.26Å; D136-N138 PolarHBondContact O-N 2.75Å; D136-N138 WeakPolarHBondContact OD1-CB 3.48Å; D136-N138 PolarHBondContact OD1-N 2.67Å; D136-N138 PolarHBondContact OD1-ND2 3.33Å; D136-K139 HydrophobicContact CB-CD 4.38Å; D136-K139 HydrophobicContact CB-CG 4.37Å; D136-K139 WeakPolarHBondContact O-CB 3.35Å; D136-K139 PolarHBondContact O-N 3.23Å; D136-K403 WeakPolarHBondContact CA-O 3.27Å
137V85.4Confident89.3Confident8 Ų854.2 Ų54.25%0.04828%0.28CS..G310 helixtrans-65.6-30.3-176.2177.90000111.9K139 L140 G141 L145 V399 K403 I405V137-K139 PolarHBondContact O-N 2.63Å; V137-L140 PolarHBondContact O-N 3.1Å; V137-G141 PolarHBondContact O-N 2.88Å; V137-L145 HydrophobicContact CG1-CD2 3.83Å; V137-L145 HydrophobicContact CG1-CG 4.22Å; V137-V399 HydrophobicContact CB-CG1 4.1Å; V137-V399 HydrophobicContact CG1-CG1 3.82Å; V137-V399 HydrophobicContact CG2-CG1 3.33Å; V137-K403 PolarHBondContact N-O 3.05Å; V137-I405 HydrophobicContact CG2-CB 4.11Å; V137-I405 HydrophobicContact CG2-CD1 4.1Å; V137-I405 HydrophobicContact CG2-CG1 3.89Å; V137-I405 HydrophobicContact CG2-CG2 3.41Å; V137-I405 VanDerWaalsContact CG2-CG2 3.41Å
138N83.6Confident89.1Confident100 Ų10049.7 Ų49.754%0.53526%0.26SS..G310 helixtrans-60.1-24.6-178.7-60.2-58.6000112D136 L140 G141D136-N138 VanDerWaalsContact C-N 3.26Å; D136-N138 PolarHBondContact O-N 2.75Å; D136-N138 WeakPolarHBondContact OD1-CB 3.48Å; D136-N138 PolarHBondContact OD1-N 2.67Å; D136-N138 PolarHBondContact OD1-ND2 3.33Å; N138-L140 VanDerWaalsContact C-N 3.32Å; N138-L140 PolarHBondContact O-N 2.84Å; N138-G141 PolarHBondContact O-N 3Å
139K81.6Confident89Confident147 Ų14749 Ų4964%0.63926%0.258SS*.G310 helixtrans-73.5-20.7176.9-62-178.5178.5-177.80113.6Y135 D136 V137Y135-K139 HydrophobicContact CE1-CB 3.8Å; Y135-K139 HydrophobicContact CE1-CD 4.32Å; Y135-K139 HydrophobicContact CE2-CD 4.22Å; Y135-K139 WeakPolarHBondContact OH-CB 3.04Å; D136-K139 HydrophobicContact CB-CD 4.38Å; D136-K139 HydrophobicContact CB-CG 4.37Å; D136-K139 WeakPolarHBondContact O-CB 3.35Å; D136-K139 PolarHBondContact O-N 3.23Å; V137-K139 PolarHBondContact O-N 2.63Å
140L77.2Confident89Confident60 Ų6054.5 Ų54.531%0.31428%0.278SS..THydrogen-bonded Turntrans-96.5-13.1176.8-65169.4000112.5Y135 V137 N138 G144 I405 F501Y135-L140 HydrophobicContact CD1-CD1 4.19Å; Y135-L140 HydrophobicContact CD1-CG 4.38Å; Y135-L140 HydrophobicContact CE1-CD1 4.14Å; Y135-L140 HydrophobicContact CE1-CD2 4.27Å; Y135-L140 HydrophobicContact CE1-CG 3.84Å; V137-L140 PolarHBondContact O-N 3.1Å; N138-L140 VanDerWaalsContact C-N 3.32Å; N138-L140 PolarHBondContact O-N 2.84Å; L140-G144 PolarHBondContact O-N 2.99Å; L140-I405 HydrophobicContact CD1-CD1 3.5Å; L140-F501 HydrophobicContact CD1-CE2 4Å; L140-F501 HydrophobicContact CD1-CZ 4.11Å
141G84.1Confident88.9Confident36 Ų3651.3 Ų51.337%0.37127%0.265SS..Hα-helixtrans58.2-150.9-174.600000112.7V137 N138 A143 G144V137-G141 PolarHBondContact O-N 2.88Å; N138-G141 PolarHBondContact O-N 3Å; G141-A143 VanDerWaalsContact C-N 3.28Å; G141-A143 PolarHBondContact O-N 2.9Å; G141-G144 PolarHBondContact O-N 3.27Å; G141-G144 VanDerWaalsContact O-N 3.17Å
142K86.8Confident88.8Confident88 Ų8846 Ų4638%0.38324%0.241SC..Hα-helixtrans-59.8-35.7-178.6-174.6172.3-172.5-177.20112.9G144 L145 I146 V170 D171 M174K142-G144 VanDerWaalsContact C-N 3.26Å; K142-G144 PolarHBondContact O-N 2.85Å; K142-L145 WeakPolarHBondContact O-CB 3.3Å; K142-L145 PolarHBondContact O-N 3.1Å; K142-I146 HydrophobicContact CG-CD1 4.13Å; K142-I146 HydrophobicContact CG-CG1 4.44Å; K142-I146 WeakPolarHBondContact O-CG1 3.46Å; K142-I146 PolarHBondContact O-N 3.01Å; K142-I146 VanDerWaalsContact O-N 3.08Å; K142-V170 HydrophobicContact CG-CG1 4.26Å; K142-D171 WeakPolarHBondContact CE-OD1 3.14Å; K142-D171 IonicContact NZ-OD1 2.63Å; K142-D171 PolarHBondContact NZ-OD1 3.35Å; K142-D171 IonicContact NZ-OD2 2.67Å; K142-M174 HydrophobicContact CD-CE 4.48Å; K142-M174 HydrophobicContact CG-CE 4.12Å
143A87.7Confident88.8Confident57 Ų5741.9 Ų41.947%0.47122%0.222SC..Hα-helixtrans-58.8-37.4177.700000112.4G141 L145 I146 N147G141-A143 VanDerWaalsContact C-N 3.28Å; G141-A143 PolarHBondContact O-N 2.9Å; A143-L145 VanDerWaalsContact C-N 3.33Å; A143-L145 PolarHBondContact O-N 2.78Å; A143-I146 PolarHBondContact O-N 3.38Å; A143-N147 WeakPolarHBondContact O-CB 3.06Å; A143-N147 VanDerWaalsContact O-CG 3.24Å; A143-N147 PolarHBondContact O-N 3.15Å
144G87.7Confident88.6Confident1 Ų143.3 Ų43.31%0.0123%0.232CC..Hα-helixtrans-62.8-37.6174.900000113.4L140 G141 K142 V148L140-G144 PolarHBondContact O-N 2.99Å; G141-G144 PolarHBondContact O-N 3.27Å; G141-G144 VanDerWaalsContact O-N 3.17Å; K142-G144 VanDerWaalsContact C-N 3.26Å; K142-G144 PolarHBondContact O-N 2.85Å; G144-V148 VanDerWaalsContact O-CG2 3.32Å; G144-V148 WeakPolarHBondContact O-CG2 3.24Å; G144-V148 PolarHBondContact O-N 3.35Å; G144-V148 VanDerWaalsContact O-N 3.08Å
145L91.4Very high88.3Confident10 Ų1043.2 Ų43.25%0.05223%0.23CC..Hα-helixtrans-70.5-40.7177.9-64.3170.6000111.8V137 K142 A143 N147 V148 A149 V170 M174 V399 L400V137-L145 HydrophobicContact CG1-CD2 3.83Å; V137-L145 HydrophobicContact CG1-CG 4.22Å; K142-L145 WeakPolarHBondContact O-CB 3.3Å; K142-L145 PolarHBondContact O-N 3.1Å; A143-L145 VanDerWaalsContact C-N 3.33Å; A143-L145 PolarHBondContact O-N 2.78Å; L145-N147 VanDerWaalsContact C-N 3.32Å; L145-N147 PolarHBondContact O-N 2.79Å; L145-V148 PolarHBondContact O-N 2.98Å; L145-A149 WeakPolarHBondContact O-CB 3.25Å; L145-A149 PolarHBondContact O-N 3.15Å; L145-V170 HydrophobicContact CB-CG1 4.14Å; L145-V170 HydrophobicContact CB-CG2 3.91Å; L145-V170 HydrophobicContact CD1-CG1 4.37Å; L145-M174 HydrophobicContact CD1-CE 3.39Å; L145-V399 HydrophobicContact CD2-CB 4.34Å; L145-V399 HydrophobicContact CD2-CG1 3.7Å; L145-L400 HydrophobicContact CD1-CD2 3.72Å; L145-L400 HydrophobicContact CD2-CD2 3.86Å; L145-L400 HydrophobicContact CD2-CG 4.16Å; L145-L400 HydrophobicContact CG-CD2 4.47Å
146I92.8Very high88.1Confident33 Ų3341.1 Ų41.117%0.16922%0.222CC..Hα-helixtrans-60.2-46175-63166.1000109.7K142 A143 V148 A149 R150 S166 V170K142-I146 HydrophobicContact CG-CD1 4.13Å; K142-I146 HydrophobicContact CG-CG1 4.44Å; K142-I146 WeakPolarHBondContact O-CG1 3.46Å; K142-I146 PolarHBondContact O-N 3.01Å; K142-I146 VanDerWaalsContact O-N 3.08Å; A143-I146 PolarHBondContact O-N 3.38Å; I146-V148 PolarHBondContact O-N 3.36Å; I146-A149 PolarHBondContact O-N 3.12Å; I146-R150 WeakPolarHBondContact O-CB 3.34Å; I146-R150 PolarHBondContact O-N 2.9Å; I146-S166 WeakPolarHBondContact CG2-OG 3.19Å; I146-V170 HydrophobicContact CG1-CG2 4.29Å
147N92.3Very high87.7Confident47 Ų4740.2 Ų40.225%0.25122%0.217SC..Hα-helixtrans-61.9-40.6178.6-77.6-3000113A143 L145 R150 T151 G499 F501A143-N147 WeakPolarHBondContact O-CB 3.06Å; A143-N147 VanDerWaalsContact O-CG 3.24Å; A143-N147 PolarHBondContact O-N 3.15Å; L145-N147 VanDerWaalsContact C-N 3.32Å; L145-N147 PolarHBondContact O-N 2.79Å; N147-R150 PolarHBondContact O-N 3.4Å; N147-T151 PolarHBondContact O-N 2.99Å; N147-T151 PolarHBondContact O-OG1 3.45Å; N147-G499 WeakPolarHBondContact CB-O 3.06Å; N147-F501 HydrophobicContact CB-CD2 4.21Å
148V92.9Very high87.7Confident0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-63.7-46.7173.4169.50000111G144 L145 I146 R150 T151 A152 V395 V399 I405 F501G144-V148 VanDerWaalsContact O-CG2 3.32Å; G144-V148 WeakPolarHBondContact O-CG2 3.24Å; G144-V148 PolarHBondContact O-N 3.35Å; G144-V148 VanDerWaalsContact O-N 3.08Å; L145-V148 PolarHBondContact O-N 2.98Å; I146-V148 PolarHBondContact O-N 3.36Å; V148-R150 VanDerWaalsContact C-N 3.33Å; V148-R150 PolarHBondContact O-N 2.93Å; V148-T151 WeakPolarHBondContact O-CB 3.38Å; V148-T151 PolarHBondContact O-N 3.49Å; V148-A152 PolarHBondContact O-N 2.63Å; V148-A152 VanDerWaalsContact O-N 3.12Å; V148-V395 HydrophobicContact CG1-CG1 3.36Å; V148-V399 HydrophobicContact CG1-CG2 3.74Å; V148-V399 HydrophobicContact CG2-CG2 4.28Å; V148-I405 HydrophobicContact CG2-CG2 3.78Å; V148-F501 HydrophobicContact CG2-CB 3.7Å
149A93Very high87.7Confident0 Ų038.2 Ų38.20%021%0.206CC..Hα-helixtrans-60.1-45.4178.100000110.9L145 I146 T151 A152 M153 V170 V396L145-A149 WeakPolarHBondContact O-CB 3.25Å; L145-A149 PolarHBondContact O-N 3.15Å; I146-A149 PolarHBondContact O-N 3.12Å; A149-T151 VanDerWaalsContact C-N 3.28Å; A149-T151 PolarHBondContact O-N 2.78Å; A149-A152 PolarHBondContact O-N 3.43Å; A149-M153 VanDerWaalsContact O-CG 3.27Å; A149-M153 WeakPolarHBondContact O-CG 3.32Å; A149-M153 PolarHBondContact O-N 3.02Å; A149-M153 VanDerWaalsContact O-N 3.12Å; A149-V170 HydrophobicContact CB-CG2 4.37Å; A149-V396 HydrophobicContact CB-CG2 3.62Å
150R93.3Very high87.8Confident114 Ų11438.1 Ų38.143%0.4321%0.211SC..Hα-helixtrans-58.2-39.7175.2-178.6174.2171.6165-6.6112.1I146 N147 V148 M153 S154 A162 D163I146-R150 WeakPolarHBondContact O-CB 3.34Å; I146-R150 PolarHBondContact O-N 2.9Å; N147-R150 PolarHBondContact O-N 3.4Å; V148-R150 VanDerWaalsContact C-N 3.33Å; V148-R150 PolarHBondContact O-N 2.93Å; R150-M153 PolarHBondContact O-N 3.25Å; R150-S154 PolarHBondContact O-N 3.45Å; R150-S154 VanDerWaalsContact O-N 3.15Å; R150-A162 HydrophobicContact CG-CB 4.11Å; R150-D163 IonicContact CZ-OD1 3.79Å; R150-D163 IonicContact NE-OD1 3.97Å; R150-D163 IonicContact NH1-OD1 3.57Å; R150-D163 PolarHBondContact NH1-OD1 2.99Å; R150-D163 IonicContact NH1-OD2 2.86Å
151T92.5Very high88.4Confident22 Ų2237.6 Ų37.614%0.13521%0.209CC..Hα-helixtrans-61.9-45.4176.3-58.10000111.5N147 V148 A149 M153 S154 V500 F501 E502N147-T151 PolarHBondContact O-N 2.99Å; N147-T151 PolarHBondContact O-OG1 3.45Å; V148-T151 WeakPolarHBondContact O-CB 3.38Å; V148-T151 PolarHBondContact O-N 3.49Å; A149-T151 VanDerWaalsContact C-N 3.28Å; A149-T151 PolarHBondContact O-N 2.78Å; T151-M153 VanDerWaalsContact C-N 3.26Å; T151-M153 PolarHBondContact O-N 2.79Å; T151-S154 WeakPolarHBondContact O-CB 3.34Å; T151-S154 PolarHBondContact O-N 2.87Å; T151-S154 PolarHBondContact O-OG 3.38Å; T151-V500 HydrophobicContact CG2-CG1 3.74Å; T151-F501 WeakPolarHBondContact CB-O 3.13Å; T151-F501 WeakPolarHBondContact CG2-O 3.3Å; T151-F501 PolarHBondContact OG1-N 2.94Å; T151-F501 PolarHBondContact OG1-O 3.47Å; T151-E502 HydrophobicContact CG2-CG 4.23Å
152A91.3Very high88.5Confident6 Ų636 Ų365%0.0519%0.193CC..Hα-helixtrans-66.9-25.2178.800000113.8V148 A149 K156 A392 V395V148-A152 PolarHBondContact O-N 2.63Å; V148-A152 VanDerWaalsContact O-N 3.12Å; A149-A152 PolarHBondContact O-N 3.43Å; A152-K156 WeakPolarHBondContact O-CE 3.06Å; A152-A392 HydrophobicContact CB-CB 4.37Å; A152-V395 HydrophobicContact CB-CB 4.09Å; A152-V395 HydrophobicContact CB-CG1 4.13Å; A152-V395 HydrophobicContact CB-CG2 3.83Å
153M90.1Very high88.7Confident0 Ų036.5 Ų36.50%020%0.199CC..Hα-helixtrans-86.9-13.3177.5-64.2-177.2178.700113.5A149 R150 T151 S155 K156 I158 F165 A169 L389 A392A149-M153 VanDerWaalsContact O-CG 3.27Å; A149-M153 WeakPolarHBondContact O-CG 3.32Å; A149-M153 PolarHBondContact O-N 3.02Å; A149-M153 VanDerWaalsContact O-N 3.12Å; R150-M153 PolarHBondContact O-N 3.25Å; T151-M153 VanDerWaalsContact C-N 3.26Å; T151-M153 PolarHBondContact O-N 2.79Å; M153-S155 VanDerWaalsContact C-N 3.31Å; M153-S155 PolarHBondContact O-N 2.78Å; M153-K156 PolarHBondContact O-N 3.4Å; M153-K156 VanDerWaalsContact O-N 3.09Å; M153-I158 HydrophobicContact CB-CD1 4.02Å; M153-I158 HydrophobicContact CB-CG1 4.05Å; M153-I158 HydrophobicContact CE-CD1 4.04Å; M153-I158 HydrophobicContact CG-CD1 3.54Å; M153-I158 HydrophobicContact CG-CG1 4.15Å; M153-I158 HydrophobicContact SD-CD1 3.63Å; M153-I158 HydrophobicContact SD-CG1 4.38Å; M153-F165 HydrophobicContact CE-CB 3.79Å; M153-F165 HydrophobicContact SD-CB 3.58Å; M153-F165 VanDerWaalsContact SD-CB 3.58Å; M153-A169 HydrophobicContact CE-CB 4.14Å; M153-L389 HydrophobicContact CE-CD1 4.02Å; M153-A392 HydrophobicContact CE-CB 3.26Å; M153-A392 HydrophobicContact CG-CB 3.84Å; M153-A392 HydrophobicContact SD-CB 4.41Å
154S86.9Confident88.9Confident29 Ų2936.4 Ų36.420%0.20319%0.19CC..THydrogen-bonded Turntrans-64.4-29.9-165.9690000114.6P35 R150 T151 N159P35-S154 VanDerWaalsContact CA-O 3.29Å; P35-S154 WeakPolarHBondContact CA-O 3.22Å; R150-S154 PolarHBondContact O-N 3.45Å; R150-S154 VanDerWaalsContact O-N 3.15Å; T151-S154 WeakPolarHBondContact O-CB 3.34Å; T151-S154 PolarHBondContact O-N 2.87Å; T151-S154 PolarHBondContact O-OG 3.38Å; S154-N159 VanDerWaalsContact O-CG 3.31Å; S154-N159 PolarHBondContact O-ND2 3.04Å
155S85Confident89.2Confident27 Ų2736.4 Ų36.419%0.18919%0.19CC..THydrogen-bonded Turntrans-90.36.2178.170.60000114.3G34 N53 M153G34-S155 WeakPolarHBondContact O-CB 3.46Å; N53-S155 PolarHBondContact ND2-O 2.95Å; N53-S155 PolarHBondContact OD1-O 3.21Å; N53-S155 PolarHBondContact OD1-OG 3.02Å; M153-S155 VanDerWaalsContact C-N 3.31Å; M153-S155 PolarHBondContact O-N 2.78Å
156K85.1Confident89.2Confident15 Ų1536 Ų367%0.06519%0.187CC..SBendtrans-119.5165.7-168.6-56.2-177.5-170.5171.60111.8N53 A152 M153 I158 N159 S388 D391N53-K156 HydrophobicContact CB-CG 4.48Å; A152-K156 WeakPolarHBondContact O-CE 3.06Å; M153-K156 PolarHBondContact O-N 3.4Å; M153-K156 VanDerWaalsContact O-N 3.09Å; K156-I158 HydrophobicContact CB-CG1 4.31Å; K156-I158 PolarHBondContact O-N 3.34Å; K156-I158 VanDerWaalsContact O-N 3.07Å; K156-N159 WeakPolarHBondContact O-CB 3.43Å; K156-N159 PolarHBondContact O-N 3.4Å; K156-S388 WeakPolarHBondContact CB-OG 3.45Å; K156-S388 VanDerWaalsContact CD-CB 3.48Å; K156-S388 VanDerWaalsContact CD-OG 3.31Å; K156-S388 WeakPolarHBondContact CD-OG 3.22Å; K156-D391 VanDerWaalsContact NZ-CG 3.31Å; K156-D391 IonicContact NZ-OD2 2.91Å; K156-D391 PolarHBondContact NZ-OD2 2.96Å
157L80.8Confident89.3Confident44 Ų4437.1 Ų37.123%0.2319%0.192CC..G310 helixtrans-54.7-30.9-178.8-68177.7000113.8D39 N159 Y381 E384D39-L157 WeakPolarHBondContact OD2-CD2 3.38Å; D39-L157 VanDerWaalsContact OD2-CG 3.25Å; D39-L157 WeakPolarHBondContact OD2-CG 3.36Å; L157-N159 PolarHBondContact O-N 3.05Å; L157-Y381 HydrophobicContact CB-CE2 4.09Å; L157-Y381 HydrophobicContact CD1-CD2 3.82Å; L157-Y381 HydrophobicContact CD1-CE2 3.76Å; L157-Y381 HydrophobicContact CD2-CE2 4.22Å; L157-Y381 HydrophobicContact CG-CE2 4.26Å; L157-E384 HydrophobicContact CD1-CB 3.92Å; L157-E384 HydrophobicContact CD1-CG 3.62Å; L157-E384 HydrophobicContact CG-CG 4.12Å
158I84.7Confident89.3Confident1 Ų135.6 Ų35.61%0.00518%0.183CC..G310 helixtrans-73.7-1.5179.259.4172.2000114.4M153 K156 L160 D161 A162 F165 M385M153-I158 HydrophobicContact CB-CD1 4.02Å; M153-I158 HydrophobicContact CB-CG1 4.05Å; M153-I158 HydrophobicContact CE-CD1 4.04Å; M153-I158 HydrophobicContact CG-CD1 3.54Å; M153-I158 HydrophobicContact CG-CG1 4.15Å; M153-I158 HydrophobicContact SD-CD1 3.63Å; M153-I158 HydrophobicContact SD-CG1 4.38Å; K156-I158 HydrophobicContact CB-CG1 4.31Å; K156-I158 PolarHBondContact O-N 3.34Å; K156-I158 VanDerWaalsContact O-N 3.07Å; I158-L160 PolarHBondContact O-N 2.9Å; I158-D161 CarbonylContact O-C 3.5Å; I158-D161 PolarHBondContact O-N 3.19Å; I158-A162 PolarHBondContact O-N 3.43Å; I158-F165 HydrophobicContact CB-CD2 3.97Å; I158-F165 HydrophobicContact CB-CE2 4.28Å; I158-F165 HydrophobicContact CG2-CD2 4.32Å; I158-F165 HydrophobicContact CG2-CE2 4.23Å; I158-M385 HydrophobicContact CG2-CB 3.96Å; I158-M385 HydrophobicContact CG2-CE 4.32Å; I158-M385 HydrophobicContact CG2-CG 3.64Å
159N84.5Confident89.3Confident65 Ų6535.6 Ų35.635%0.34818%0.183SC..G310 helixtrans-59.2-29.5-178.9-173.235.8000113.1S154 K156 L157 D161 A162S154-N159 VanDerWaalsContact O-CG 3.31Å; S154-N159 PolarHBondContact O-ND2 3.04Å; K156-N159 WeakPolarHBondContact O-CB 3.43Å; K156-N159 PolarHBondContact O-N 3.4Å; L157-N159 PolarHBondContact O-N 3.05Å; N159-D161 VanDerWaalsContact C-N 3.3Å; N159-D161 PolarHBondContact O-N 2.93Å; N159-A162 WeakPolarHBondContact O-CB 3.39Å; N159-A162 PolarHBondContact O-N 3.39Å
160L84.6Confident89.3Confident145 Ų14535.6 Ų35.676%0.75918%0.183SC*.G310 helixtrans-59.5-38.4179.1-67.8173.8000113I158 M202I158-L160 PolarHBondContact O-N 2.9Å; L160-M202 HydrophobicContact CB-CE 4.32Å
161D88.2Confident89.3Confident49 Ų4932.5 Ų32.526%0.26218%0.175SC..G310 helixtrans-114.834.1176.1-65.8-45.6000111.2I158 N159 D163 M164 F165 M202I158-D161 CarbonylContact O-C 3.5Å; I158-D161 PolarHBondContact O-N 3.19Å; N159-D161 VanDerWaalsContact C-N 3.3Å; N159-D161 PolarHBondContact O-N 2.93Å; D161-D163 PolarHBondContact O-N 3.38Å; D161-D163 VanDerWaalsContact O-N 3.13Å; D161-M164 HydrophobicContact CB-CB 4.41Å; D161-M164 HydrophobicContact CB-CE 4.47Å; D161-M164 PolarHBondContact O-N 3.18Å; D161-F165 HydrophobicContact CB-CD2 4.01Å; D161-F165 HydrophobicContact CB-CE2 3.95Å; D161-F165 WeakPolarHBondContact O-CD2 3.48Å; D161-F165 PolarHBondContact O-N 2.93Å; D161-F165 VanDerWaalsContact O-N 3.08Å; D161-M202 HydrophobicContact CB-CE 3.93Å; D161-M202 WeakPolarHBondContact OD2-CE 3.4Å; D161-M202 VanDerWaalsContact OD2-CG 3.25Å; D161-M202 WeakPolarHBondContact OD2-CG 3.3Å
162A87.2Confident89.2Confident4 Ų431.4 Ų31.43%0.03317%0.169CC..Hα-helixtrans-55.7-34.4-175.700000112.8R150 I158 N159 S166R150-A162 HydrophobicContact CG-CB 4.11Å; I158-A162 PolarHBondContact O-N 3.43Å; N159-A162 WeakPolarHBondContact O-CB 3.39Å; N159-A162 PolarHBondContact O-N 3.39Å; A162-S166 WeakPolarHBondContact O-CB 3.15Å; A162-S166 PolarHBondContact O-N 3.24Å; A162-S166 PolarHBondContact O-OG 3.09Å
163D90.5Very high89.2Confident97 Ų9731.1 Ų31.152%0.51917%0.166SC..Hα-helixtrans-65.7-38.8179.1-69.8-24.9000111.8R150 D161 S166 Q167R150-D163 IonicContact CZ-OD1 3.79Å; R150-D163 IonicContact NE-OD1 3.97Å; R150-D163 IonicContact NH1-OD1 3.57Å; R150-D163 PolarHBondContact NH1-OD1 2.99Å; R150-D163 IonicContact NH1-OD2 2.86Å; D161-D163 PolarHBondContact O-N 3.38Å; D161-D163 VanDerWaalsContact O-N 3.13Å; D163-S166 WeakPolarHBondContact CA-OG 3.33Å; D163-S166 PolarHBondContact O-OG 3.42Å; D163-Q167 WeakPolarHBondContact O-CB 3.19Å; D163-Q167 PolarHBondContact O-N 3.4Å
164M92.4Very high89.1Confident56 Ų5634.4 Ų34.428%0.27618%0.182SC..Hα-helixtrans-69.5-49176-174.5-166.273.100111D161 Q167 M168 M202 S203D161-M164 HydrophobicContact CB-CB 4.41Å; D161-M164 HydrophobicContact CB-CE 4.47Å; D161-M164 PolarHBondContact O-N 3.18Å; M164-Q167 PolarHBondContact O-N 2.95Å; M164-M168 HydrophobicContact CE-CE 4.45Å; M164-M168 WeakPolarHBondContact O-CB 3.41Å; M164-M168 PolarHBondContact O-N 3.13Å; M164-M202 WeakPolarHBondContact CE-O 3.42Å; M164-S203 VanDerWaalsContact SD-O 3.32Å
165F93.3Very high89.1Confident1 Ų134.3 Ų34.30%0.00418%0.184CC..Hα-helixtrans-69.7-35.2-177.4-74.3-66.2000112.9M153 I158 D161 M168 A169 M202 L374 M385M153-F165 HydrophobicContact CE-CB 3.79Å; M153-F165 HydrophobicContact SD-CB 3.58Å; M153-F165 VanDerWaalsContact SD-CB 3.58Å; I158-F165 HydrophobicContact CB-CD2 3.97Å; I158-F165 HydrophobicContact CB-CE2 4.28Å; I158-F165 HydrophobicContact CG2-CD2 4.32Å; I158-F165 HydrophobicContact CG2-CE2 4.23Å; D161-F165 HydrophobicContact CB-CD2 4.01Å; D161-F165 HydrophobicContact CB-CE2 3.95Å; D161-F165 WeakPolarHBondContact O-CD2 3.48Å; D161-F165 PolarHBondContact O-N 2.93Å; D161-F165 VanDerWaalsContact O-N 3.08Å; F165-M168 HydrophobicContact CD1-SD 4.41Å; F165-M168 PolarHBondContact O-N 2.69Å; F165-A169 VanDerWaalsContact O-CB 3.3Å; F165-A169 WeakPolarHBondContact O-CB 3.34Å; F165-A169 PolarHBondContact O-N 3.2Å; F165-M202 HydrophobicContact CE2-CE 3.79Å; F165-M202 HydrophobicContact CZ-CB 4.47Å; F165-L374 HydrophobicContact CE1-CD2 3.77Å; F165-M385 HydrophobicContact CE1-CE 4.09Å; F165-M385 HydrophobicContact CE2-CE 4.13Å; F165-M385 HydrophobicContact CZ-CE 3.4Å
166S92.5Very high89.1Confident0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-64.4-44.7175.356.20000111.5I146 A162 D163 A169 V170I146-S166 WeakPolarHBondContact CG2-OG 3.19Å; A162-S166 WeakPolarHBondContact O-CB 3.15Å; A162-S166 PolarHBondContact O-N 3.24Å; A162-S166 PolarHBondContact O-OG 3.09Å; D163-S166 WeakPolarHBondContact CA-OG 3.33Å; D163-S166 PolarHBondContact O-OG 3.42Å; S166-A169 PolarHBondContact O-N 2.88Å; S166-V170 VanDerWaalsContact O-CG2 3.26Å; S166-V170 WeakPolarHBondContact O-CG2 3.29Å; S166-V170 PolarHBondContact O-N 3.48Å; S166-V170 VanDerWaalsContact O-N 3.09Å
167Q93.5Very high89.2Confident58 Ų5836.8 Ų36.827%0.27119%0.193SC..Hα-helixtrans-61.3-45.6174.6-176.553.140.100111.2D163 M164 V170 D171D163-Q167 WeakPolarHBondContact O-CB 3.19Å; D163-Q167 PolarHBondContact O-N 3.4Å; M164-Q167 PolarHBondContact O-N 2.95Å; Q167-V170 PolarHBondContact O-N 3.39Å; Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 2.77Å; Q167-D171 WeakPolarHBondContact O-CB 3.4Å; Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 2.89Å
168M93.1Very high89.3Confident14 Ų1437.1 Ų37.17%0.06920%0.196CC..Hα-helixtrans-61-44.7177.6-176.1177.9-61.300112.8M164 F165 D171 A172 S205 L207 I372M164-M168 HydrophobicContact CE-CE 4.45Å; M164-M168 WeakPolarHBondContact O-CB 3.41Å; M164-M168 PolarHBondContact O-N 3.13Å; F165-M168 HydrophobicContact CD1-SD 4.41Å; F165-M168 PolarHBondContact O-N 2.69Å; M168-D171 PolarHBondContact O-N 3.28Å; M168-A172 VanDerWaalsContact O-CB 3.26Å; M168-A172 WeakPolarHBondContact O-CB 2.76Å; M168-A172 PolarHBondContact O-N 3.31Å; M168-S205 WeakPolarHBondContact CE-O 3.38Å; M168-L207 HydrophobicContact CG-CB 4.06Å; M168-L207 HydrophobicContact CG-CD1 4.3Å; M168-I372 HydrophobicContact CG-CD1 3.85Å; M168-I372 HydrophobicContact CG-CG1 3.96Å; M168-I372 HydrophobicContact CG-CG2 4.48Å; M168-I372 HydrophobicContact SD-CB 4.28Å; M168-I372 HydrophobicContact SD-CD1 4.19Å; M168-I372 HydrophobicContact SD-CG1 3.98Å; M168-I372 HydrophobicContact SD-CG2 3.42Å; M168-I372 WeakPolarHBondContact SD-CG2 3.08Å
169A93Very high89Confident0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-64.4-41.8179.400000111.8M153 F165 S166 L173 L389 L393M153-A169 HydrophobicContact CE-CB 4.14Å; F165-A169 VanDerWaalsContact O-CB 3.3Å; F165-A169 WeakPolarHBondContact O-CB 3.34Å; F165-A169 PolarHBondContact O-N 3.2Å; S166-A169 PolarHBondContact O-N 2.88Å; A169-L173 WeakPolarHBondContact O-CB 3.45Å; A169-L173 PolarHBondContact O-N 3.11Å; A169-L173 VanDerWaalsContact O-N 3.1Å; A169-L389 HydrophobicContact CB-CD1 3.97Å; A169-L393 HydrophobicContact CB-CD2 3.84Å; A169-L393 HydrophobicContact CB-CG 4.39Å; A169-L393 WeakPolarHBondContact O-CD2 3.48Å
170V93.1Very high88.3Confident0 Ų040.6 Ų40.60%023%0.231CC..Hα-helixtrans-66.1-45.4177.3172.60000110.9K142 L145 I146 A149 S166 Q167 L173 M174 V396K142-V170 HydrophobicContact CG-CG1 4.26Å; L145-V170 HydrophobicContact CB-CG1 4.14Å; L145-V170 HydrophobicContact CB-CG2 3.91Å; L145-V170 HydrophobicContact CD1-CG1 4.37Å; I146-V170 HydrophobicContact CG1-CG2 4.29Å; A149-V170 HydrophobicContact CB-CG2 4.37Å; S166-V170 VanDerWaalsContact O-CG2 3.26Å; S166-V170 WeakPolarHBondContact O-CG2 3.29Å; S166-V170 PolarHBondContact O-N 3.48Å; S166-V170 VanDerWaalsContact O-N 3.09Å; Q167-V170 PolarHBondContact O-N 3.39Å; V170-L173 PolarHBondContact O-N 3.42Å; V170-M174 HydrophobicContact CG1-CE 3.28Å; V170-M174 HydrophobicContact CG1-CG 4.48Å; V170-M174 HydrophobicContact CG1-SD 3.99Å; V170-M174 WeakPolarHBondContact O-CG 2.87Å; V170-M174 PolarHBondContact O-N 3.2Å; V170-V396 HydrophobicContact CG2-CG1 4.3Å; V170-V396 HydrophobicContact CG2-CG2 4.32Å
171D92Very high87.8Confident49 Ų4936.1 Ų36.126%0.26222%0.22SC..Hα-helixtrans-65.2-43.6179.3-71.1-15.5000111.8K142 Q167 M168 L173 M174 A175 L207K142-D171 WeakPolarHBondContact CE-OD1 3.14Å; K142-D171 IonicContact NZ-OD1 2.63Å; K142-D171 PolarHBondContact NZ-OD1 3.35Å; K142-D171 IonicContact NZ-OD2 2.67Å; Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 2.77Å; Q167-D171 WeakPolarHBondContact O-CB 3.4Å; Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 2.89Å; M168-D171 PolarHBondContact O-N 3.28Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.18Å; D171-M174 PolarHBondContact O-N 3.29Å; D171-A175 VanDerWaalsContact O-CB 3.3Å; D171-A175 WeakPolarHBondContact O-CB 3.39Å; D171-A175 PolarHBondContact O-N 3.3Å; D171-L207 HydrophobicContact CB-CD2 3.67Å
172A92.2Very high87Confident0 Ų040.6 Ų40.60%025%0.251CS..Hα-helixtrans-60.1-40.5176.100000112.4M168 A175 V176 V192 L207 A370 I372M168-A172 VanDerWaalsContact O-CB 3.26Å; M168-A172 WeakPolarHBondContact O-CB 2.76Å; M168-A172 PolarHBondContact O-N 3.31Å; A172-A175 PolarHBondContact O-N 3.23Å; A172-V176 PolarHBondContact O-N 3.01Å; A172-V192 HydrophobicContact CB-CG1 4.09Å; A172-V192 HydrophobicContact CB-CG2 4.32Å; A172-L207 HydrophobicContact CB-CD1 3.81Å; A172-A370 HydrophobicContact CB-CB 3.9Å; A172-I372 HydrophobicContact CB-CD1 3.85Å; A172-I372 HydrophobicContact CB-CG1 4.36Å
173L90.6Very high86.3Confident0 Ų050 Ų500%029%0.291CS..Hα-helixtrans-71.8-42.2178.2-82.6168.2000113.3A169 V170 D171 A175 V176 Y187 I189 L393 V396 L400A169-L173 WeakPolarHBondContact O-CB 3.45Å; A169-L173 PolarHBondContact O-N 3.11Å; A169-L173 VanDerWaalsContact O-N 3.1Å; V170-L173 PolarHBondContact O-N 3.42Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.18Å; L173-A175 PolarHBondContact O-N 3.31Å; L173-V176 HydrophobicContact CD2-CG2 4.33Å; L173-V176 VanDerWaalsContact O-CG2 3.32Å; L173-V176 WeakPolarHBondContact O-CG2 3.43Å; L173-V176 PolarHBondContact O-N 3.1Å; L173-V176 VanDerWaalsContact O-N 3.15Å; L173-Y187 WeakPolarHBondContact O-CD1 3.3Å; L173-I189 HydrophobicContact CD2-CG1 4.47Å; L173-L393 HydrophobicContact CD1-CB 4.24Å; L173-L393 HydrophobicContact CD1-CD2 3.74Å; L173-L393 VanDerWaalsContact CD1-O 3.3Å; L173-L393 WeakPolarHBondContact CD1-O 3.43Å; L173-L393 HydrophobicContact CD2-CD2 4.4Å; L173-L393 HydrophobicContact CG-CD2 3.66Å; L173-V396 HydrophobicContact CD1-CB 3.53Å; L173-V396 HydrophobicContact CD1-CG1 3.48Å; L173-V396 VanDerWaalsContact CD1-CG1 3.48Å; L173-L400 HydrophobicContact CB-CD1 4.49Å
174M88.2Confident85.7Confident68 Ų6846.7 Ų46.734%0.33528%0.28SS..Hα-helixtrans-61.4-36.7174.5-71.9178.7-173.800111.1K142 L145 V170 D171 V176 E177K142-M174 HydrophobicContact CD-CE 4.48Å; K142-M174 HydrophobicContact CG-CE 4.12Å; L145-M174 HydrophobicContact CD1-CE 3.39Å; V170-M174 HydrophobicContact CG1-CE 3.28Å; V170-M174 HydrophobicContact CG1-CG 4.48Å; V170-M174 HydrophobicContact CG1-SD 3.99Å; V170-M174 WeakPolarHBondContact O-CG 2.87Å; V170-M174 PolarHBondContact O-N 3.2Å; D171-M174 PolarHBondContact O-N 3.29Å; M174-V176 VanDerWaalsContact C-N 3.26Å; M174-V176 PolarHBondContact O-N 3.02Å; M174-E177 PolarHBondContact O-N 3.02Å
175A86.3Confident85.2Confident28 Ų2845.8 Ų45.823%0.23128%0.278CS..Hα-helixtrans-68.6-18.717700000113.8D171 A172 L173 P368 A370D171-A175 VanDerWaalsContact O-CB 3.3Å; D171-A175 WeakPolarHBondContact O-CB 3.39Å; D171-A175 PolarHBondContact O-N 3.3Å; A172-A175 PolarHBondContact O-N 3.23Å; L173-A175 PolarHBondContact O-N 3.31Å; A175-P368 CarbonylContact O-C 3.54Å; A175-P368 WeakPolarHBondContact O-CB 3.2Å; A175-P368 WeakPolarHBondContact O-CG 3.37Å; A175-A370 HydrophobicContact CB-CB 4.23Å
176V86.2Confident84.8Confident2 Ų249 Ų491%0.01230%0.298CS..THydrogen-bonded Turntrans-104.214.4177.6-61.30000113.1A172 L173 M174 V178 P188 A191 V192 A370A172-V176 PolarHBondContact O-N 3.01Å; L173-V176 HydrophobicContact CD2-CG2 4.33Å; L173-V176 VanDerWaalsContact O-CG2 3.32Å; L173-V176 WeakPolarHBondContact O-CG2 3.43Å; L173-V176 PolarHBondContact O-N 3.1Å; L173-V176 VanDerWaalsContact O-N 3.15Å; M174-V176 VanDerWaalsContact C-N 3.26Å; M174-V176 PolarHBondContact O-N 3.02Å; V176-V178 PolarHBondContact O-N 3.33Å; V176-P188 VanDerWaalsContact O-CD 3.3Å; V176-P188 WeakPolarHBondContact O-CD 3.4Å; V176-A191 HydrophobicContact CB-CB 4.19Å; V176-A191 HydrophobicContact CG1-CB 3.96Å; V176-V192 HydrophobicContact CG1-CG2 3.85Å; V176-V192 HydrophobicContact CG2-CG2 3.91Å; V176-A370 HydrophobicContact CG1-CB 4.4Å
177E86.2Confident84.6Confident92 Ų9249.5 Ų49.543%0.4330%0.3SS..  trans-60.2120.8179.9-173.1170.3153.500111.6M174 P185 Y187M174-E177 PolarHBondContact O-N 3.02Å; E177-P185 HydrophobicContact CG-CB 3.92Å; E177-P185 WeakPolarHBondContact OE1-CB 3.32Å; E177-Y187 HydrophobicContact CB-CD1 4.18Å; E177-Y187 HydrophobicContact CB-CE1 3.65Å; E177-Y187 HydrophobicContact CG-CD1 4.38Å; E177-Y187 HydrophobicContact CG-CE1 3.61Å; E177-Y187 PolarHBondContact OE2-OH 2.93Å
178V83.6Confident84.2Confident50 Ų5048.9 Ų48.930%0.30330%0.301SS..EExtended strand (participates in β ladder)trans-113133.6172.5-176.70000108.9V176 G180 V186 P188V176-V178 PolarHBondContact O-N 3.33Å; V178-G180 PolarHBondContact O-N 3.42Å; V178-V186 PolarHBondContact N-O 3.18Å; V178-V186 PolarHBondContact O-N 2.93Å; V178-P188 HydrophobicContact CG2-CG 4.23Å
179S78.5Confident83.8Confident110 Ų11049.2 Ų49.277%0.76930%0.303SS*.EExtended strand (participates in β ladder)trans-63.9103.8171.7-700000110.1G181S179-G181 PolarHBondContact O-N 3.41Å; S179-G181 VanDerWaalsContact O-N 3.12Å
180G69.1Low83.2Confident30 Ų3057.5 Ų57.531%0.30934%0.339SS..  trans-78.619.3179.500000114.8V178 G184V178-G180 PolarHBondContact O-N 3.42Å; G180-G184 CarbonylContact C-O 3.49Å; G180-G184 WeakPolarHBondContact CA-O 3.45Å; G180-G184 PolarHBondContact N-O 3.29Å; G180-G184 VanDerWaalsContact N-O 3.14Å
181G75Confident82.7Confident51 Ų5158.5 Ų58.553%0.52635%0.347SS..G310 helixtrans65.4-138.1-175.600000112.5S179 K183 G184S179-G181 PolarHBondContact O-N 3.41Å; S179-G181 VanDerWaalsContact O-N 3.12Å; G181-K183 PolarHBondContact O-N 3.41Å; G181-K183 VanDerWaalsContact O-N 3.12Å; G181-G184 PolarHBondContact O-N 3.04Å
182P71.2Confident82.5Confident142 Ų14256.8 Ų56.892%0.92234%0.338SS*.G310 helixtrans-67.9-12.4-173.126.3-33.2000114.4G184P182-G184 VanDerWaalsContact C-N 3.32Å
183K71Confident82.5Confident202 Ų20257.9 Ų57.988%0.87834%0.344SS*.G310 helixtrans-86-0.5179-66-172.2178.3-178.70113.8G181G181-K183 PolarHBondContact O-N 3.41Å; G181-K183 VanDerWaalsContact O-N 3.12Å
184G78.6Confident82.6Confident27 Ų2759 Ų5928%0.27835%0.35SS..  trans92.2-178.3-17600000113.2G180 G181 P182G180-G184 CarbonylContact C-O 3.49Å; G180-G184 WeakPolarHBondContact CA-O 3.45Å; G180-G184 PolarHBondContact N-O 3.29Å; G180-G184 VanDerWaalsContact N-O 3.14Å; G181-G184 PolarHBondContact O-N 3.04Å; P182-G184 VanDerWaalsContact C-N 3.32Å
185P82.6Confident82.8Confident38 Ų3856.6 Ų56.625%0.24734%0.338CS..EExtended strand (participates in β ladder)trans-65.7142179.428.5-34.3000111E177 Y187E177-P185 HydrophobicContact CG-CB 3.92Å; E177-P185 WeakPolarHBondContact OE1-CB 3.32Å; P185-Y187 HydrophobicContact CB-CE2 3.97Å; P185-Y187 HydrophobicContact CG-CE2 4.01Å
186V84.8Confident83.1Confident67 Ų6759.1 Ų59.141%0.40634%0.344SS..EExtended strand (participates in β ladder)trans-115.7132.6176.61750000108.2V178 P188V178-V186 PolarHBondContact N-O 3.18Å; V178-V186 PolarHBondContact O-N 2.93Å; V186-P188 VanDerWaalsContact O-CD 3.25Å; V186-P188 WeakPolarHBondContact O-CD 3.48Å
187Y87.8Confident83.3Confident11 Ų1159.2 Ų59.24%0.04335%0.345CS..  trans-110.195.1179.6-57.5-84.2000109.4L173 E177 P185 I189 K397 L400L173-Y187 WeakPolarHBondContact O-CD1 3.3Å; E177-Y187 HydrophobicContact CB-CD1 4.18Å; E177-Y187 HydrophobicContact CB-CE1 3.65Å; E177-Y187 HydrophobicContact CG-CD1 4.38Å; E177-Y187 HydrophobicContact CG-CE1 3.61Å; E177-Y187 PolarHBondContact OE2-OH 2.93Å; P185-Y187 HydrophobicContact CB-CE2 3.97Å; P185-Y187 HydrophobicContact CG-CE2 4.01Å; Y187-I189 PolarHBondContact O-N 3.26Å; Y187-I189 VanDerWaalsContact O-N 3.13Å; Y187-K397 WeakPolarHBondContact O-CD 3.37Å; Y187-K397 WeakPolarHBondContact O-CE 3.45Å; Y187-L400 HydrophobicContact CD1-CD1 4.07Å; Y187-L400 HydrophobicContact CD2-CB 3.89Å; Y187-L400 HydrophobicContact CD2-CD1 4.25Å; Y187-L400 HydrophobicContact CE1-CD1 3.82Å; Y187-L400 HydrophobicContact CE2-CB 3.43Å; Y187-L400 VanDerWaalsContact CE2-CB 3.43Å; Y187-L400 HydrophobicContact CE2-CD1 4.03Å; Y187-L400 HydrophobicContact CE2-CG 4.28Å; Y187-L400 HydrophobicContact CG-CD1 4.28Å
188P84.5Confident83.3Confident46 Ų4658.7 Ų58.730%0.29934%0.342SS..  trans-74.399.717829.5-32.6000110.4V176 V178 V186 K190 A191V176-P188 VanDerWaalsContact O-CD 3.3Å; V176-P188 WeakPolarHBondContact O-CD 3.4Å; V178-P188 HydrophobicContact CG2-CG 4.23Å; V186-P188 VanDerWaalsContact O-CD 3.25Å; V186-P188 WeakPolarHBondContact O-CD 3.48Å; P188-K190 PolarHBondContact O-N 2.74Å; P188-A191 HydrophobicContact CB-CB 4.2Å; P188-A191 HydrophobicContact CG-CB 3.88Å; P188-A191 VanDerWaalsContact O-CB 3.24Å; P188-A191 WeakPolarHBondContact O-CB 3.42Å; P188-A191 PolarHBondContact O-N 3.38Å
189I84.9Confident83.5Confident20 Ų2057.1 Ų57.110%0.10334%0.337CS..G310 helixtrans-55.3-36.9177-67.2162000111.7L173 Y187 A191 V192 L394 K397L173-I189 HydrophobicContact CD2-CG1 4.47Å; Y187-I189 PolarHBondContact O-N 3.26Å; Y187-I189 VanDerWaalsContact O-N 3.13Å; I189-A191 PolarHBondContact O-N 3.33Å; I189-V192 PolarHBondContact O-N 3.28Å; I189-L394 HydrophobicContact CD1-CB 4.44Å; I189-L394 HydrophobicContact CD1-CD2 3.18Å; I189-L394 HydrophobicContact CD1-CG 3.68Å; I189-K397 HydrophobicContact CD1-CB 4.33Å; I189-K397 HydrophobicContact CD1-CD 3.37Å; I189-K397 HydrophobicContact CD1-CG 4.48Å; I189-K397 HydrophobicContact CG1-CD 3.77Å
190K81.3Confident84Confident175 Ų17559.9 Ų59.976%0.76133%0.33SS*.G310 helixtrans-63.4-10.5177-60.9-170.8-179-174.20114.2P188 N315P188-K190 PolarHBondContact O-N 2.74Å; K190-N315 PolarHBondContact O-ND2 3.49Å
191A81.3Confident85Confident21 Ų2160.8 Ų60.817%0.17433%0.332CS..G310 helixtrans-85.3-16.5173.400000112.6V176 P188 I189V176-A191 HydrophobicContact CB-CB 4.19Å; V176-A191 HydrophobicContact CG1-CB 3.96Å; P188-A191 HydrophobicContact CB-CB 4.2Å; P188-A191 HydrophobicContact CG-CB 3.88Å; P188-A191 VanDerWaalsContact O-CB 3.24Å; P188-A191 WeakPolarHBondContact O-CB 3.42Å; P188-A191 PolarHBondContact O-N 3.38Å; I189-A191 PolarHBondContact O-N 3.33Å
192V89.3Confident85.7Confident12 Ų1259.4 Ų59.47%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-86.8109.8169.6-176.40000107.6A172 V176 I189 A370 I372 L393A172-V192 HydrophobicContact CB-CG1 4.09Å; A172-V192 HydrophobicContact CB-CG2 4.32Å; V176-V192 HydrophobicContact CG1-CG2 3.85Å; V176-V192 HydrophobicContact CG2-CG2 3.91Å; I189-V192 PolarHBondContact O-N 3.28Å; V192-A370 WeakPolarHBondContact CA-O 3.38Å; V192-I372 HydrophobicContact CG1-CD1 4.14Å; V192-I372 HydrophobicContact CG1-CG1 4.4Å; V192-L393 HydrophobicContact CG1-CD1 4.29Å
193N91.6Very high86.6Confident23 Ų2355.5 Ų55.512%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-86.1129.1176.3-164.217000110.1Y211 A212 A370 S371 I372N193-Y211 HydrophobicContact CB-CD2 4.45Å; N193-Y211 HydrophobicContact CB-CE1 4.21Å; N193-Y211 HydrophobicContact CB-CE2 3.89Å; N193-A212 PolarHBondContact ND2-O 3.19Å; N193-A370 PolarHBondContact N-O 3Å; N193-A370 VanDerWaalsContact N-O 3.15Å; N193-S371 CarbonylContact O-C 3.54Å; N193-S371 WeakPolarHBondContact O-CA 3.32Å; N193-I372 PolarHBondContact O-N 3.45Å
194I93.2Very high87.5Confident24 Ų2449.9 Ų49.912%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-107.3117.3175.5-55.3172.6000107.2I372 L374 E386 L389 L393I194-I372 WeakPolarHBondContact CA-O 3.26Å; I194-L374 HydrophobicContact CG2-CD1 3.53Å; I194-L374 HydrophobicContact CG2-CG 3.9Å; I194-E386 HydrophobicContact CB-CG 4.42Å; I194-E386 HydrophobicContact CG2-CB 4.34Å; I194-E386 HydrophobicContact CG2-CG 3.93Å; I194-L389 HydrophobicContact CD1-CD2 4.03Å; I194-L389 HydrophobicContact CD1-CG 4.31Å; I194-L389 HydrophobicContact CG1-CD2 4.34Å; I194-L389 HydrophobicContact CG2-CD2 4.42Å; I194-L393 HydrophobicContact CD1-CD1 4.03Å
195L92.4Very high88.2Confident18 Ų1849 Ų499%0.09425%0.254CS..EExtended strand (participates in β ladder)trans-108.3145.5175.5-65.3-178.5000110.1A212 N214 L358 I372 I373 L374L195-A212 HydrophobicContact CD1-CB 3.44Å; L195-A212 VanDerWaalsContact CD1-CB 3.44Å; L195-A212 HydrophobicContact CG-CB 4.44Å; L195-N214 HydrophobicContact CD2-CB 4.16Å; L195-L358 HydrophobicContact CD1-CD1 3.87Å; L195-L358 HydrophobicContact CD1-CD2 4.3Å; L195-I372 PolarHBondContact N-O 2.82Å; L195-I373 HydrophobicContact CB-CG1 4.33Å; L195-L374 PolarHBondContact O-N 3.15Å
196K92.1Very high88.7Confident80 Ų8049.8 Ų49.835%0.34826%0.256SS..EExtended strand (participates in β ladder)trans-107.7126.8-179.9-61.1-171.5-81.9-155.30108.7V382 D383 E386K196-V382 HydrophobicContact CB-CG1 3.52Å; K196-V382 HydrophobicContact CD-CG1 3.91Å; K196-V382 HydrophobicContact CG-CG1 3.58Å; K196-D383 WeakPolarHBondContact CD-OD1 3.48Å; K196-D383 WeakPolarHBondContact CE-OD1 3.23Å; K196-D383 IonicContact NZ-OD1 3.86Å; K196-D383 PolarHBondContact NZ-OD1 3.09Å; K196-E386 HydrophobicContact CD-CB 4.38Å; K196-E386 WeakPolarHBondContact CD-OE2 3.19Å; K196-E386 WeakPolarHBondContact CE-OE2 3.48Å; K196-E386 IonicContact NZ-OE2 2.74Å; K196-E386 PolarHBondContact NZ-OE2 3.47Å
197A89.8Confident89.1Confident5 Ų549 Ų494%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-139.8106.4171.800000108.2I353 I373 L374 R375A197-I353 HydrophobicContact CB-CG2 3.87Å; A197-I373 HydrophobicContact CB-CG2 4.35Å; A197-L374 PolarHBondContact N-O 3.28Å; A197-R375 WeakPolarHBondContact O-CA 3.49Å
198H87.6Confident89.2Confident80 Ų8049 Ų4937%0.3725%0.249SC..EExtended strand (participates in β ladder)trans-66.8148.3174.761.8-105.9000110.4C354 G376 D379H198-C354 PolarHBondContact O-SG 3.03Å; H198-G376 WeakPolarHBondContact CA-O 3.48Å; H198-D379 IonicContact CE1-OD1 3.98Å; H198-D379 IonicContact CG-OD1 2.64Å; H198-D379 IonicContact ND1-OD1 2.66Å; H198-D379 PolarHBondContact ND1-OD1 3.19Å; H198-D379 IonicContact ND1-OD2 3.59Å
199G87.9Confident89.3Confident18 Ų1852.8 Ų52.819%0.18627%0.267CS..SBendtrans118.5149.3-175.300000113R375 G376G199-R375 WeakPolarHBondContact O-CB 3.34Å; G199-G376 PolarHBondContact N-O 3.23Å
200R88.6Confident89.5Confident168 Ų16851.8 Ų51.863%0.63426%0.262SS*.SBendtrans59.4-168.9-173.2-50.6-158.2-173.7171.4-9.4113.2E204R200-E204 HydrophobicContact CB-CB 4.47Å; R200-E204 VanDerWaalsContact CD-CD 3.46Å; R200-E204 WeakPolarHBondContact CD-OE2 3.45Å; R200-E204 IonicContact CZ-OE2 2.74Å; R200-E204 IonicContact NE-OE2 3.74Å; R200-E204 IonicContact NH1-OE2 3.47Å; R200-E204 PolarHBondContact NH1-OE2 2.84Å
201S89.6Confident89.9Confident49 Ų4943.6 Ų43.634%0.34323%0.226SC..  trans-86.6158.3179.358.70000112.3S203 E204 R375S201-S203 PolarHBondContact O-N 2.8Å; S201-S203 PolarHBondContact OG-OG 3.32Å; S201-E204 PolarHBondContact O-N 3.22Å; S201-R375 WeakPolarHBondContact O-CB 3.33Å
202M90Very high90.5Very high22 Ų2242.6 Ų42.611%0.10822%0.218CC..G310 helixtrans-58.2-33.9172.654.4-177.5-68.100113.2L160 D161 M164 F165 E204 S205 R375 Y381 M385L160-M202 HydrophobicContact CB-CE 4.32Å; D161-M202 HydrophobicContact CB-CE 3.93Å; D161-M202 WeakPolarHBondContact OD2-CE 3.4Å; D161-M202 VanDerWaalsContact OD2-CG 3.25Å; D161-M202 WeakPolarHBondContact OD2-CG 3.3Å; M164-M202 WeakPolarHBondContact CE-O 3.42Å; F165-M202 HydrophobicContact CE2-CE 3.79Å; F165-M202 HydrophobicContact CZ-CB 4.47Å; M202-E204 PolarHBondContact O-N 2.92Å; M202-S205 VanDerWaalsContact O-CB 3.29Å; M202-S205 WeakPolarHBondContact O-CB 3.29Å; M202-S205 PolarHBondContact O-N 2.82Å; M202-S205 PolarHBondContact O-OG 2.95Å; M202-R375 VanDerWaalsContact CA-O 3.29Å; M202-R375 WeakPolarHBondContact CA-O 3.36Å; M202-Y381 HydrophobicContact SD-CE1 4.22Å; M202-Y381 PolarHBondContact SD-OH 3.19Å; M202-Y381 VanDerWaalsContact SD-OH 3.4Å; M202-M385 HydrophobicContact CB-CE 3.68Å; M202-M385 HydrophobicContact CB-SD 4.2Å
203S89.1Confident90.6Very high60 Ų6042.1 Ų42.142%0.4222%0.215SC..G310 helixtrans-65.3-12.5175.155.90000114.7M164 S201M164-S203 VanDerWaalsContact SD-O 3.32Å; S201-S203 PolarHBondContact O-N 2.8Å; S201-S203 PolarHBondContact OG-OG 3.32Å
204E91.6Very high90.6Very high83 Ų8345 Ų4539%0.38823%0.23SC..G310 helixtrans-95.411.1173.3-68.7-170.3-133.700113.1R200 S201 M202R200-E204 HydrophobicContact CB-CB 4.47Å; R200-E204 VanDerWaalsContact CD-CD 3.46Å; R200-E204 WeakPolarHBondContact CD-OE2 3.45Å; R200-E204 IonicContact CZ-OE2 2.74Å; R200-E204 IonicContact NE-OE2 3.74Å; R200-E204 IonicContact NH1-OE2 3.47Å; R200-E204 PolarHBondContact NH1-OE2 2.84Å; S201-E204 PolarHBondContact O-N 3.22Å; M202-E204 PolarHBondContact O-N 2.92Å
205S92.6Very high90.5Very high8 Ų844.8 Ų44.86%0.05623%0.231CC..  trans-62.4143168-58.40000109.8M168 M202 I373 R375M168-S205 WeakPolarHBondContact CE-O 3.38Å; M202-S205 VanDerWaalsContact O-CB 3.29Å; M202-S205 WeakPolarHBondContact O-CB 3.29Å; M202-S205 PolarHBondContact O-N 2.82Å; M202-S205 PolarHBondContact O-OG 2.95Å; S205-I373 VanDerWaalsContact CA-O 3.25Å; S205-I373 WeakPolarHBondContact CA-O 3.46Å; S205-I373 WeakPolarHBondContact CB-O 3.4Å; S205-R375 PolarHBondContact OG-N 3.07Å
206M92.1Very high90.4Very high56 Ų5647.3 Ų47.328%0.27625%0.247SC..EExtended strand (participates in β ladder)trans-130.6141.8-171.661.7-169.3-179.200113I208 I353 I373M206-I208 HydrophobicContact CE-CD1 4.32Å; M206-I353 HydrophobicContact CE-CD1 3.24Å; M206-I353 HydrophobicContact CE-CG1 3.82Å; M206-I373 HydrophobicContact CE-CB 4.22Å; M206-I373 HydrophobicContact CE-CD1 3.62Å; M206-I373 HydrophobicContact CE-CG1 4.36Å; M206-I373 HydrophobicContact CE-CG2 4.35Å; M206-I373 HydrophobicContact CG-CB 4Å; M206-I373 PolarHBondContact N-O 3.22Å; M206-I373 PolarHBondContact O-N 2.97Å
207L93.5Very high90.5Very high49 Ų4944.1 Ų44.126%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-88.7128166.9-174.561.2000108.9M168 D171 A172 A370 I372M168-L207 HydrophobicContact CG-CB 4.06Å; M168-L207 HydrophobicContact CG-CD1 4.3Å; D171-L207 HydrophobicContact CB-CD2 3.67Å; A172-L207 HydrophobicContact CB-CD1 3.81Å; L207-A370 HydrophobicContact CD1-CB 4.16Å; L207-I372 HydrophobicContact CD1-CD1 4.45Å; L207-I372 HydrophobicContact CD1-CG1 3.72Å
208I90.9Very high90.6Very high12 Ų1244.5 Ų44.56%0.06224%0.239CC..EExtended strand (participates in β ladder)trans-108.4125.6173.6-63.3-179.7000108.4M206 G210 A212 I360 S371 I373M206-I208 HydrophobicContact CE-CD1 4.32Å; I208-G210 PolarHBondContact O-N 3.41Å; I208-A212 HydrophobicContact CD1-CB 4.25Å; I208-I360 HydrophobicContact CD1-CD1 3.71Å; I208-I360 HydrophobicContact CD1-CG1 3.96Å; I208-I360 HydrophobicContact CD1-CG2 4.2Å; I208-I360 HydrophobicContact CG2-CG2 3.64Å; I208-S371 PolarHBondContact N-O 3.19Å; I208-S371 PolarHBondContact O-N 3.23Å; I208-I373 HydrophobicContact CD1-CD1 3.37Å; I208-I373 HydrophobicContact CD1-CG1 3.97Å; I208-I373 HydrophobicContact CG1-CD1 4.44Å
209D86.5Confident90.8Very high125 Ų12542 Ų4267%0.66823%0.23SC*.SBendtrans-73.473.1170.9-62.9-27.4000110.1
210G88.3Confident91Very high0 Ų050 Ų500%026%0.263CS..EExtended strand (participates in β ladder)trans163.4-162.4-170.700000114.9I208 L361 S369 A370 S371I208-G210 PolarHBondContact O-N 3.41Å; G210-L361 CarbonylContact C-O 3.54Å; G210-L361 WeakPolarHBondContact CA-O 3.35Å; G210-S369 CarbonylContact C-O 3.54Å; G210-S369 WeakPolarHBondContact CA-O 3.43Å; G210-S369 PolarHBondContact N-O 3.45Å; G210-S369 CarbonylContact O-C 3.58Å; G210-S369 PolarHBondContact O-OG 3.37Å; G210-A370 CarbonylContact O-C 3.5Å; G210-A370 WeakPolarHBondContact O-CA 3.27Å; G210-A370 PolarHBondContact O-N 3.3Å; G210-S371 PolarHBondContact O-N 2.97Å; G210-S371 VanDerWaalsContact O-N 3.15Å; G210-S371 PolarHBondContact O-OG 3.04Å; G210-S371 VanDerWaalsContact O-OG 3.08Å
211Y90.8Very high91.1Very high3 Ų349 Ų491%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-116.2123176.6-154.9-86000110.1N193 D312 N315 M316 L361 S369 S371N193-Y211 HydrophobicContact CB-CD2 4.45Å; N193-Y211 HydrophobicContact CB-CE1 4.21Å; N193-Y211 HydrophobicContact CB-CE2 3.89Å; Y211-D312 HydrophobicContact CE1-CB 3.85Å; Y211-D312 WeakPolarHBondContact OH-CA 3.31Å; Y211-D312 PolarHBondContact OH-OD1 3.17Å; Y211-N315 HydrophobicContact CE2-CB 3.77Å; Y211-N315 PolarHBondContact OH-ND2 3.5Å; Y211-M316 HydrophobicContact CD1-CG 3.32Å; Y211-M316 HydrophobicContact CD1-SD 3.69Å; Y211-M316 HydrophobicContact CD2-CG 4.22Å; Y211-M316 HydrophobicContact CE1-CG 3.83Å; Y211-M316 HydrophobicContact CE1-SD 4.21Å; Y211-M316 HydrophobicContact CG-CG 3.54Å; Y211-M316 HydrophobicContact CG-SD 4.39Å; Y211-L361 PolarHBondContact N-O 3.5Å; Y211-L361 WeakPolarHBondContact O-CB 3.37Å; Y211-L361 PolarHBondContact O-N 2.7Å; Y211-S369 PolarHBondContact N-OG 3.09Å; Y211-S371 VanDerWaalsContact CA-OG 3.26Å; Y211-S371 WeakPolarHBondContact CA-OG 3.48Å
212A92.6Very high91.3Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-100.1142174.200000110.2N193 L195 I208 I359 I360 S371 I373N193-A212 PolarHBondContact ND2-O 3.19Å; L195-A212 HydrophobicContact CD1-CB 3.44Å; L195-A212 VanDerWaalsContact CD1-CB 3.44Å; L195-A212 HydrophobicContact CG-CB 4.44Å; I208-A212 HydrophobicContact CD1-CB 4.25Å; A212-I359 CarbonylContact C-O 3.55Å; A212-I359 WeakPolarHBondContact CA-O 3.46Å; A212-I360 HydrophobicContact CB-CG1 4.35Å; A212-S371 PolarHBondContact N-OG 2.94Å; A212-I373 HydrophobicContact CB-CD1 4.27Å
213L92.4Very high91.4Very high2 Ų247.7 Ų47.71%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-129.1128.4-179.4-176.174.4000109.5C215 V305 C308 D312 L358 I359L213-C215 VanDerWaalsContact C-N 3.25Å; L213-C215 HydrophobicContact CD2-CB 3.71Å; L213-C215 HydrophobicContact CG-CB 3.91Å; L213-C215 PolarHBondContact O-N 3.34Å; L213-V305 HydrophobicContact CD2-CG1 4.39Å; L213-C308 HydrophobicContact CD2-CB 4.26Å; L213-D312 HydrophobicContact CD1-CB 3.72Å; L213-L358 WeakPolarHBondContact O-CA 3.48Å; L213-I359 HydrophobicContact CB-CB 4.4Å; L213-I359 PolarHBondContact N-O 3.43Å; L213-I359 PolarHBondContact O-N 2.92Å
214N90.7Very high91.6Very high83 Ų8351.8 Ų51.844%0.44426%0.263SS..SBendtrans-81.274.8172-168.5-8000110.6L195 L358L195-N214 HydrophobicContact CD2-CB 4.16Å; N214-L358 HydrophobicContact CB-CD2 3.76Å
215C90.8Very high91.7Very high19 Ų1952.4 Ų52.413%0.12827%0.268CS..  trans-148.3154.3175.7-71.80000108.9L213 V305 I359L213-C215 VanDerWaalsContact C-N 3.25Å; L213-C215 HydrophobicContact CD2-CB 3.71Å; L213-C215 HydrophobicContact CG-CB 3.91Å; L213-C215 PolarHBondContact O-N 3.34Å; C215-V305 HydrophobicContact CB-CG1 3.51Å; C215-I359 WeakPolarHBondContact O-CD1 3.47Å; C215-I359 WeakPolarHBondContact O-CG1 3.5Å
216T91.8Very high91.8Very high71 Ų7152.8 Ų52.844%0.43627%0.269SS..  trans-108.4156.6175.859.70000111.2E357T216-E357 HydrophobicContact CG2-CB 3.84Å
217A92.8Very high91.8Very high13 Ų1357.6 Ų57.611%0.10729%0.288CS..BIsolated β-bridgetrans-58.6142.9170.700000110.5S219 M222 M303A217-S219 PolarHBondContact O-N 3.39Å; A217-M222 HydrophobicContact CB-CB 4.41Å; A217-M303 HydrophobicContact CB-CG 4.5Å
218A92.7Very high91.7Very high13 Ų1363.8 Ų63.811%0.10731%0.313CS..SBendtrans-61.8-32.6-174.100000112.7M222 I289 M294 A304A218-M222 HydrophobicContact CB-CE 4.12Å; A218-M222 HydrophobicContact CB-SD 4.23Å; A218-I289 HydrophobicContact CB-CD1 4.39Å; A218-M294 HydrophobicContact CB-CE 3.95Å; A218-M294 HydrophobicContact CB-CG 4.2Å; A218-M294 HydrophobicContact CB-SD 3.85Å; A218-A304 VanDerWaalsContact CB-O 3.3Å; A218-A304 WeakPolarHBondContact CB-O 3.33Å; A218-A304 PolarHBondContact N-O 3.01Å
219S91.9Very high91.7Very high27 Ų2763.2 Ų63.219%0.18931%0.31CS..SBendtrans-132143.8174.3174.40000110.9A217 Q221 M222A217-S219 PolarHBondContact O-N 3.39Å; S219-Q221 PolarHBondContact O-N 2.96Å; S219-Q221 PolarHBondContact OG-N 3.16Å; S219-M222 WeakPolarHBondContact O-CB 3.42Å; S219-M222 PolarHBondContact O-N 3.03Å
220Q91.1Very high92.1Very high187 Ų18761.8 Ų61.887%0.87430%0.298SS*.THydrogen-bonded Turntrans-65.9-17.8175.5-65.5-178.9-4.400113.5M222Q220-M222 VanDerWaalsContact C-N 3.29Å
221Q91.9Very high92.5Very high148 Ų14861.8 Ų61.869%0.69230%0.298SS*.THydrogen-bonded Turntrans-80.2-9.6177.2-65.7-179.9-29.600113.1S219 V298S219-Q221 PolarHBondContact O-N 2.96Å; S219-Q221 PolarHBondContact OG-N 3.16Å; Q221-V298 HydrophobicContact CB-CG1 3.83Å; Q221-V298 HydrophobicContact CB-CG2 4.03Å
222M93.1Very high92.7Very high7 Ų761.7 Ų61.73%0.03430%0.298CS..SBendtrans-73.3149.7176.2-66.7175.4-178.800110.6A217 A218 S219 Q220 R224 M294 F297 V298 A304A217-M222 HydrophobicContact CB-CB 4.41Å; A218-M222 HydrophobicContact CB-CE 4.12Å; A218-M222 HydrophobicContact CB-SD 4.23Å; S219-M222 WeakPolarHBondContact O-CB 3.42Å; S219-M222 PolarHBondContact O-N 3.03Å; Q220-M222 VanDerWaalsContact C-N 3.29Å; M222-R224 PolarHBondContact O-N 3.04Å; M222-M294 HydrophobicContact CE-CB 4.03Å; M222-M294 HydrophobicContact CE-CG 4.37Å; M222-F297 HydrophobicContact CE-CB 3.78Å; M222-V298 HydrophobicContact CE-CG2 4.17Å; M222-V298 HydrophobicContact CG-CG2 3.89Å; M222-A304 HydrophobicContact CE-CB 3.88Å; M222-A304 HydrophobicContact SD-CB 3.97Å; M222-A304 PolarHBondContact SD-N 3.24Å
223P93Very high92.8Very high35 Ų3561.7 Ų61.723%0.22730%0.298CS..  trans-63.9135.8177.127.7-35.5000110.5I226 N301 M303P223-I226 HydrophobicContact CB-CG1 4.44Å; P223-I226 HydrophobicContact CG-CD1 4Å; P223-I226 HydrophobicContact CG-CG1 4.04Å; P223-N301 WeakPolarHBondContact CG-O 3.45Å; P223-M303 WeakPolarHBondContact O-CE 3.44Å
224R92.2Very high93Very high147 Ų14761.6 Ų61.656%0.55530%0.297SS*.SBendtrans-78.8-21177-65.6-177.1-180-167.4-5.7113.3M222 M303 S349 Q350M222-R224 PolarHBondContact O-N 3.04Å; R224-M303 WeakPolarHBondContact O-CE 3.31Å; R224-S349 CarbonylContact O-C 3.09Å; R224-S349 WeakPolarHBondContact O-CA 3.45Å; R224-Q350 HydrophobicContact CB-CB 4.32Å; R224-Q350 PolarHBondContact O-N 3.4Å
225I94.3Very high93.2Very high96 Ų9659.1 Ų59.149%0.49228%0.284SS..EExtended strand (participates in β ladder)trans-133.3126-176.6-58.2174.7000108.6E347I225-E347 HydrophobicContact CG2-CG 4.24Å; I225-E347 VanDerWaalsContact CG2-OE1 3.23Å; I225-E347 WeakPolarHBondContact CG2-OE1 3.18Å
226I93.7Very high93.2Very high15 Ų1560 Ų608%0.07729%0.286CS..EExtended strand (participates in β ladder)trans-125.3116.1175.3-65.1-179.2000108.7P223 A229 N281 V282 M303 E347 V348P223-I226 HydrophobicContact CB-CG1 4.44Å; P223-I226 HydrophobicContact CG-CD1 4Å; P223-I226 HydrophobicContact CG-CG1 4.04Å; I226-A229 HydrophobicContact CG2-CB 4.29Å; I226-N281 WeakPolarHBondContact CD1-O 3.13Å; I226-N281 HydrophobicContact CG2-CB 4.21Å; I226-N281 WeakPolarHBondContact CG2-ND2 3.3Å; I226-V282 HydrophobicContact CB-CG2 4.35Å; I226-V282 HydrophobicContact CD1-CG2 3.84Å; I226-V282 HydrophobicContact CG2-CG2 4.26Å; I226-M303 HydrophobicContact CD1-CB 3.42Å; I226-M303 VanDerWaalsContact CD1-CB 3.42Å; I226-M303 HydrophobicContact CG1-CB 4.49Å; I226-E347 WeakPolarHBondContact O-CA 3.36Å; I226-V348 PolarHBondContact N-O 3.14Å; I226-V348 PolarHBondContact O-N 2.97Å
227K92.2Very high93.2Very high158 Ų15859.2 Ų59.269%0.68728%0.283SS*.EExtended strand (participates in β ladder)trans-86144.6172.1-64.3-176.3177.7-176.70110.1
228K91.4Very high93.2Very high179 Ų17958.7 Ų58.778%0.77828%0.279SS*.EExtended strand (participates in β ladder)trans52.762.9-174.8-61.1180179.6178.60111.2K230 N281 A345 E346K228-K230 PolarHBondContact O-N 2.95Å; K228-N281 PolarHBondContact O-ND2 2.93Å; K228-A345 CarbonylContact C-O 3.37Å; K228-E346 PolarHBondContact N-O 3.43Å
229A92.2Very high93Very high0 Ų061.5 Ų61.50%029%0.29CS..EExtended strand (participates in β ladder)trans-71.3126.7-176.800000111.9I226 I231 N281 V282 N344 A345 V348I226-A229 HydrophobicContact CG2-CB 4.29Å; A229-I231 HydrophobicContact CB-CD1 4.33Å; A229-I231 HydrophobicContact CB-CG1 4.01Å; A229-N281 VanDerWaalsContact CA-OD1 3.29Å; A229-N281 WeakPolarHBondContact CA-OD1 3.25Å; A229-V282 HydrophobicContact CB-CG2 3.91Å; A229-N344 WeakPolarHBondContact O-CA 3.23Å; A229-A345 HydrophobicContact CB-CB 4.38Å; A229-A345 PolarHBondContact N-O 3.28Å; A229-A345 PolarHBondContact O-N 3.11Å; A229-V348 HydrophobicContact CB-CB 4.22Å; A229-V348 HydrophobicContact CB-CG2 3.54Å
230K94.8Very high92.6Very high95 Ų9565.3 Ų65.341%0.41330%0.303SS..EExtended strand (participates in β ladder)trans-103.4107.9164.6-72.3-177.7175.2-174.30108.2K228 G279 A280 N281 V282 L342 G343K228-K230 PolarHBondContact O-N 2.95Å; K230-G279 WeakPolarHBondContact CB-O 3.37Å; K230-G279 WeakPolarHBondContact CD-O 3.34Å; K230-A280 WeakPolarHBondContact O-CA 3.49Å; K230-N281 PolarHBondContact N-OD1 3.48Å; K230-N281 PolarHBondContact O-N 2.97Å; K230-N281 PolarHBondContact O-OD1 3.1Å; K230-V282 PolarHBondContact O-N 3.39Å; K230-L342 HydrophobicContact CB-CD1 4.36Å; K230-G343 CarbonylContact C-O 3.6Å; K230-G343 WeakPolarHBondContact CA-O 3.49Å
231I95.2Very high92.1Very high0 Ų058.7 Ų58.70%028%0.275CS..EExtended strand (participates in β ladder)trans-104.4124-164.7-47.6-176.8000110.2A229 F233 V282 L284 T320 L342 G343 A345 V348 L361A229-I231 HydrophobicContact CB-CD1 4.33Å; A229-I231 HydrophobicContact CB-CG1 4.01Å; I231-F233 HydrophobicContact CB-CE2 4.04Å; I231-F233 HydrophobicContact CB-CZ 3.98Å; I231-F233 HydrophobicContact CG2-CD1 4.31Å; I231-F233 HydrophobicContact CG2-CD2 4.44Å; I231-F233 HydrophobicContact CG2-CE1 3.76Å; I231-F233 HydrophobicContact CG2-CE2 3.9Å; I231-F233 HydrophobicContact CG2-CZ 3.53Å; I231-V282 CarbonylContact C-O 3.53Å; I231-V282 WeakPolarHBondContact CA-O 3.42Å; I231-V282 HydrophobicContact CB-CB 4.44Å; I231-V282 HydrophobicContact CG1-CB 4.1Å; I231-V282 HydrophobicContact CG1-CG1 4.48Å; I231-V282 HydrophobicContact CG2-CB 4.27Å; I231-V282 HydrophobicContact CG2-CG1 4.07Å; I231-L284 HydrophobicContact CG2-CD1 3.89Å; I231-L284 HydrophobicContact CG2-CG 4.06Å; I231-T320 HydrophobicContact CD1-CG2 4.21Å; I231-L342 WeakPolarHBondContact O-CA 3.46Å; I231-G343 PolarHBondContact N-O 3.35Å; I231-G343 PolarHBondContact O-N 2.92Å; I231-A345 HydrophobicContact CD1-CB 4.05Å; I231-V348 HydrophobicContact CD1-CG2 3.91Å; I231-L361 HydrophobicContact CD1-CD1 3.3Å; I231-L361 HydrophobicContact CD1-CG 4.27Å
232A95.8Very high91.6Very high0 Ų060.8 Ų60.80%028%0.282CS..EExtended strand (participates in β ladder)trans-95.8125.5170.200000110.2I275 A280 V282 L284 F337 L342A232-I275 HydrophobicContact CB-CG2 4.06Å; A232-A280 HydrophobicContact CB-CB 3.91Å; A232-V282 PolarHBondContact N-O 3.43Å; A232-L284 PolarHBondContact O-N 2.91Å; A232-F337 HydrophobicContact CB-CE2 4.3Å; A232-F337 HydrophobicContact CB-CZ 3.81Å; A232-L342 HydrophobicContact CB-CD2 3.82Å
233F95.7Very high91Very high0 Ų065.9 Ų65.90%031%0.307CS..EExtended strand (participates in β ladder)trans-105.3112.3176.8-57.9-83000109.8I231 L284 L313 M316 A317 T320 L324 I325I231-F233 HydrophobicContact CB-CE2 4.04Å; I231-F233 HydrophobicContact CB-CZ 3.98Å; I231-F233 HydrophobicContact CG2-CD1 4.31Å; I231-F233 HydrophobicContact CG2-CD2 4.44Å; I231-F233 HydrophobicContact CG2-CE1 3.76Å; I231-F233 HydrophobicContact CG2-CE2 3.9Å; I231-F233 HydrophobicContact CG2-CZ 3.53Å; F233-L284 HydrophobicContact CD1-CB 4.49Å; F233-L284 HydrophobicContact CD1-CD1 4.1Å; F233-L284 HydrophobicContact CE1-CD1 3.76Å; F233-L313 HydrophobicContact CD1-CB 4.27Å; F233-L313 HydrophobicContact CD1-CD2 4.25Å; F233-M316 HydrophobicContact CD1-CB 4.5Å; F233-M316 HydrophobicContact CE1-CB 3.48Å; F233-M316 VanDerWaalsContact CE1-CB 3.48Å; F233-M316 HydrophobicContact CZ-CB 3.89Å; F233-A317 HydrophobicContact CD1-CB 4.3Å; F233-A317 HydrophobicContact CD2-CB 3.75Å; F233-A317 HydrophobicContact CE1-CB 4.45Å; F233-A317 HydrophobicContact CE2-CB 3.94Å; F233-A317 HydrophobicContact CG-CB 3.95Å; F233-A317 HydrophobicContact CZ-CB 4.29Å; F233-T320 WeakPolarHBondContact CE2-OG1 3.34Å; F233-T320 WeakPolarHBondContact CZ-OG1 3.16Å; F233-L324 HydrophobicContact CB-CD1 3.98Å; F233-I325 PolarHBondContact O-N 2.94Å
234L95.1Very high90.5Very high0 Ų072.8 Ų72.80%033%0.333CS..EExtended strand (participates in β ladder)trans-115.3133.9-174-50.7178.9000111.1F236 L238 I275 I283 L284 T285 T286 I325 F337L234-F236 HydrophobicContact CB-CD1 4.33Å; L234-F236 HydrophobicContact CB-CE1 4.06Å; L234-F236 HydrophobicContact CB-CZ 4.32Å; L234-F236 HydrophobicContact CD1-CE2 4.48Å; L234-F236 HydrophobicContact CD1-CZ 4.14Å; L234-F236 HydrophobicContact CD2-CE1 3.88Å; L234-F236 HydrophobicContact CD2-CZ 3.91Å; L234-F236 HydrophobicContact CG-CE1 4.41Å; L234-F236 HydrophobicContact CG-CZ 4.35Å; L234-L238 HydrophobicContact CD1-CD1 4.15Å; L234-I275 HydrophobicContact CD1-CD1 3.8Å; L234-I275 HydrophobicContact CD2-CD1 4.43Å; L234-I283 HydrophobicContact CD1-CG2 3.62Å; L234-I283 HydrophobicContact CG-CG2 4.33Å; L234-L284 PolarHBondContact N-O 2.95Å; L234-T285 VanDerWaalsContact O-CA 3.31Å; L234-T285 WeakPolarHBondContact O-CA 3.42Å; L234-T286 PolarHBondContact O-N 3.2Å; L234-I325 HydrophobicContact CD2-CB 4.4Å; L234-F337 HydrophobicContact CD2-CE2 3.9Å
235D94.6Very high90.1Very high31 Ų3174.8 Ų74.817%0.16635%0.354CS..SBendtrans-106.535.1174-16330.1000112.5T286 K310 L324 I325 V326D235-T286 VanDerWaalsContact CA-OG1 3.3Å; D235-T286 WeakPolarHBondContact CA-OG1 3.28Å; D235-T286 WeakPolarHBondContact OD1-CB 3.43Å; D235-T286 VanDerWaalsContact OD1-CG2 3.27Å; D235-T286 WeakPolarHBondContact OD1-CG2 3.34Å; D235-T286 PolarHBondContact OD1-OG1 3.44Å; D235-K310 IonicContact OD1-NZ 2.76Å; D235-K310 WeakPolarHBondContact OD2-CE 3.45Å; D235-K310 IonicContact OD2-NZ 3.63Å; D235-K310 PolarHBondContact OD2-NZ 3.18Å; D235-L324 HydrophobicContact CB-CD1 4.04Å; D235-L324 HydrophobicContact CB-CD2 4.2Å; D235-L324 HydrophobicContact CB-CG 4.05Å; D235-I325 PolarHBondContact N-O 2.89Å; D235-V326 HydrophobicContact CB-CG2 4.46Å
236F91.7Very high89.7Confident37 Ų3774 Ų7416%0.16237%0.37CS..SBendtrans-149.1154.2177.161.7-91.3000111.1L234 L238 T285 I325 L328L234-F236 HydrophobicContact CB-CD1 4.33Å; L234-F236 HydrophobicContact CB-CE1 4.06Å; L234-F236 HydrophobicContact CB-CZ 4.32Å; L234-F236 HydrophobicContact CD1-CE2 4.48Å; L234-F236 HydrophobicContact CD1-CZ 4.14Å; L234-F236 HydrophobicContact CD2-CE1 3.88Å; L234-F236 HydrophobicContact CD2-CZ 3.91Å; L234-F236 HydrophobicContact CG-CE1 4.41Å; L234-F236 HydrophobicContact CG-CZ 4.35Å; F236-L238 HydrophobicContact CD2-CD2 4.32Å; F236-L238 HydrophobicContact CE2-CD2 3.71Å; F236-T285 PolarHBondContact O-OG1 3.39Å; F236-I325 HydrophobicContact CE1-CG2 4.27Å; F236-L328 HydrophobicContact CE1-CD2 4.41Å; F236-L328 HydrophobicContact CE1-CG 4.21Å; F236-L328 HydrophobicContact CE2-CD1 4.34Å; F236-L328 HydrophobicContact CE2-CG 4.46Å; F236-L328 HydrophobicContact CZ-CD1 3.97Å; F236-L328 HydrophobicContact CZ-CD2 3.97Å; F236-L328 HydrophobicContact CZ-CG 3.69Å
237S92.3Very high89.4Confident55 Ų5577.1 Ų77.139%0.38539%0.39SS..  trans-78.7142.2-178.257.60000112.9Q239 G288S237-Q239 PolarHBondContact O-N 3.09Å; S237-G288 CarbonylContact C-O 3.57Å; S237-G288 WeakPolarHBondContact CA-O 3.37Å
238L91.6Very high88.9Confident2 Ų277.9 Ų77.91%0.0140%0.396CS..BIsolated β-bridgetrans-100.275171.8-62.4176.9000109.4L234 F236 I272 I275 G288 I289 D290 C293 F297L234-L238 HydrophobicContact CD1-CD1 4.15Å; F236-L238 HydrophobicContact CD2-CD2 4.32Å; F236-L238 HydrophobicContact CE2-CD2 3.71Å; L238-I272 HydrophobicContact CD1-CG1 4.34Å; L238-I272 HydrophobicContact CD2-CG1 4.28Å; L238-I275 HydrophobicContact CD2-CD1 4.44Å; L238-G288 PolarHBondContact N-O 3.13Å; L238-I289 HydrophobicContact CB-CG1 4.31Å; L238-I289 HydrophobicContact CB-CG2 4.41Å; L238-I289 HydrophobicContact CD1-CG1 4.49Å; L238-I289 WeakPolarHBondContact O-CA 3.5Å; L238-D290 PolarHBondContact O-N 3.08Å; L238-C293 PolarHBondContact O-SG 2.87Å; L238-F297 HydrophobicContact CD1-CE2 3.84Å; L238-F297 HydrophobicContact CD1-CZ 3.62Å
239Q89.4Confident88.5Confident73 Ų7373 Ų7334%0.34138%0.381SS..SBendtrans-128.2167.6-177.4-59.7-169.3-61.700110.2S237 V241 T268 D290S237-Q239 PolarHBondContact O-N 3.09Å; Q239-V241 PolarHBondContact O-N 3.31Å; Q239-T268 WeakPolarHBondContact O-CG2 3.49Å; Q239-T268 PolarHBondContact O-OG1 2.84Å; Q239-D290 VanDerWaalsContact CA-OD2 3.29Å; Q239-D290 WeakPolarHBondContact CA-OD2 3.42Å; Q239-D290 HydrophobicContact CB-CB 4.5Å; Q239-D290 WeakPolarHBondContact CB-OD2 2.85Å; Q239-D290 HydrophobicContact CG-CB 4.45Å; Q239-D290 WeakPolarHBondContact CG-OD1 3.17Å; Q239-D290 PolarHBondContact NE2-OD1 3.32Å
240K84.3Confident88.2Confident107 Ų10778.8 Ų78.847%0.46542%0.416SS..  trans-57.3121.9170-67.6-178.8-178.3-179.70109K242 D290K240-K242 PolarHBondContact O-N 3.15Å; K240-K242 VanDerWaalsContact O-N 3.17Å; K240-D290 PolarHBondContact N-OD2 2.93Å
241V80.5Confident87.7Confident48 Ų4876.6 Ų76.629%0.29141%0.41SS..  trans-69115.4-175.1-179.50000108.8Q239 I267Q239-V241 PolarHBondContact O-N 3.31Å; V241-I267 HydrophobicContact CG2-CG2 4.06Å
242K79.9Confident87.4Confident191 Ų19186.2 Ų86.283%0.8345%0.452SS*.PPolyproline II helixtrans-83.3138166.4-67.9-176.5-179.9-179.20109K240K240-K242 PolarHBondContact O-N 3.15Å; K240-K242 VanDerWaalsContact O-N 3.17Å
243M80.5Confident87.1Confident114 Ų11489.7 Ų89.756%0.56247%0.471SS*.PPolyproline II helixtrans-60.3147.8171.2-66.7-64.3-13000110.7V247 V249M243-V247 HydrophobicContact CB-CB 4.03Å; M243-V247 HydrophobicContact CB-CG1 4.13Å; M243-V247 HydrophobicContact CE-CG1 4.02Å; M243-V247 HydrophobicContact CG-CG1 4.27Å; M243-V247 HydrophobicContact SD-CG1 4.43Å; M243-V249 HydrophobicContact CE-CG2 4.45Å; M243-V249 HydrophobicContact CG-CG2 4.38Å
244K82.5Confident86.7Confident180 Ų18094.8 Ų94.878%0.78350%0.504SS*.PPolyproline II helixtrans-62.6150.1179.3-68.3-176.2178.91790110.8G246 V247K244-G246 PolarHBondContact O-N 2.98Å; K244-V247 PolarHBondContact O-N 2.83Å
245L83.9Confident86.4Confident189 Ų18998.2 Ų98.299%0.9953%0.532SS*.THydrogen-bonded Turntrans-52.3124170-72165.8000109.2
246G86.4Confident86.1Confident81 Ų81101.8 Ų101.884%0.83555%0.547SS*.THydrogen-bonded Turntrans108.8-13.3-175.300000114.8K244K244-G246 PolarHBondContact O-N 2.98Å
247V86.8Confident85.8Confident80 Ų80104.3 Ų104.349%0.48556%0.562SS.*  trans-95.5108.5173.8-177.60000109.4M243 K244M243-V247 HydrophobicContact CB-CB 4.03Å; M243-V247 HydrophobicContact CB-CG1 4.13Å; M243-V247 HydrophobicContact CE-CG1 4.02Å; M243-V247 HydrophobicContact CG-CG1 4.27Å; M243-V247 HydrophobicContact SD-CG1 4.43Å; K244-V247 PolarHBondContact O-N 2.83Å
248Q83.2Confident85.5Confident174 Ų174107.9 Ų107.981%0.81357%0.573SS**  trans-98.9120.9171.7-68.2-176.2-500109.6V250Q248-V250 PolarHBondContact O-N 2.88Å
249V81.8Confident85.4Confident77 Ų77110.6 Ų110.647%0.46760%0.595SS.*  trans-86.9101.5176.1-176.10000108.3M243 V251 I260M243-V249 HydrophobicContact CE-CG2 4.45Å; M243-V249 HydrophobicContact CG-CG2 4.38Å; V249-V251 HydrophobicContact CG1-CG2 3.87Å; V249-I260 HydrophobicContact CG1-CD1 4.08Å
250V85.9Confident85.2Confident121 Ų121109.7 Ų109.773%0.73359%0.592SS**  trans-93.8107.5176.2-177.70000109.1Q248Q248-V250 PolarHBondContact O-N 2.88Å
251V85.7Confident85.2Confident49 Ų49112.9 Ų112.930%0.29760%0.602SS.*  trans-98.5121.1-179.5-173.40000109.5V249 D253 Q256 I260V249-V251 HydrophobicContact CG1-CG2 3.87Å; V251-D253 WeakPolarHBondContact CG1-O 3.48Å; V251-Q256 HydrophobicContact CG1-CB 4.09Å; V251-I260 HydrophobicContact CG2-CD1 3.62Å
252K88.7Confident85.6Confident201 Ų201115.6 Ų115.687%0.87461%0.611SS**SBendtrans-88.9-25.7176.6-65.8-175.6-178.8179.70113.3
253D89.8Confident85.9Confident74 Ų74111.9 Ų111.940%0.39659%0.592SS.*SBendtrans-116.7117.3-177.5176.612.1000110.6V251 A255 Q256V251-D253 WeakPolarHBondContact CG1-O 3.48Å; D253-A255 PolarHBondContact O-N 3.24Å; D253-A255 VanDerWaalsContact O-N 3.11Å; D253-A255 PolarHBondContact OD1-N 3.36Å; D253-A255 VanDerWaalsContact OD1-N 3.15Å; D253-Q256 HydrophobicContact CB-CG 4.15Å; D253-Q256 PolarHBondContact O-N 3.14Å; D253-Q256 VanDerWaalsContact O-N 3.1Å
254P87.5Confident86.2Confident107 Ų107109.8 Ų109.870%0.69558%0.58SS**Hα-helixtrans-53.5-29.2178.8-26.734.9000114.9Q256 L257P254-Q256 VanDerWaalsContact C-N 3.29Å; P254-Q256 PolarHBondContact O-N 3.4Å; P254-L257 VanDerWaalsContact O-CB 3.26Å; P254-L257 WeakPolarHBondContact O-CB 3.43Å; P254-L257 PolarHBondContact O-N 2.84Å
255A88Confident86.3Confident71 Ų71102 Ų10259%0.58755%0.55SS**Hα-helixtrans-67.2-29.2-179.800000113D253 L257D253-A255 PolarHBondContact O-N 3.24Å; D253-A255 VanDerWaalsContact O-N 3.11Å; D253-A255 PolarHBondContact OD1-N 3.36Å; D253-A255 VanDerWaalsContact OD1-N 3.15Å; A255-L257 PolarHBondContact O-N 2.92Å
256Q88Confident86.5Confident106 Ų10695.9 Ų95.950%0.49552%0.518SS..Hα-helixtrans-72.2-19.8179.2-64.5-177-600112.7V251 D253 P254 E258 A259 I260V251-Q256 HydrophobicContact CG1-CB 4.09Å; D253-Q256 HydrophobicContact CB-CG 4.15Å; D253-Q256 PolarHBondContact O-N 3.14Å; D253-Q256 VanDerWaalsContact O-N 3.1Å; P254-Q256 VanDerWaalsContact C-N 3.29Å; P254-Q256 PolarHBondContact O-N 3.4Å; Q256-E258 VanDerWaalsContact C-N 3.3Å; Q256-E258 PolarHBondContact O-N 2.89Å; Q256-A259 PolarHBondContact O-N 3.44Å; Q256-I260 HydrophobicContact CB-CD1 4.46Å; Q256-I260 WeakPolarHBondContact O-CD1 3.37Å; Q256-I260 VanDerWaalsContact O-CG1 3.23Å; Q256-I260 WeakPolarHBondContact O-CG1 3.39Å; Q256-I260 PolarHBondContact O-N 3.46Å
257L85.3Confident86.6Confident90 Ų9094.3 Ų94.347%0.47149%0.49SS..Hα-helixtrans-63.4-37.3-177-134.5163.4000111.4P254 A255 R261P254-L257 VanDerWaalsContact O-CB 3.26Å; P254-L257 WeakPolarHBondContact O-CB 3.43Å; P254-L257 PolarHBondContact O-N 2.84Å; A255-L257 PolarHBondContact O-N 2.92Å; L257-R261 WeakPolarHBondContact O-CG 3.33Å; L257-R261 PolarHBondContact O-N 3.45Å
258E87Confident86.7Confident131 Ų13190.7 Ų90.761%0.61247%0.468SS*.Hα-helixtrans-70-44.5175.9-171.2170.6-174.600111.8Q256 I260 R261 Q262Q256-E258 VanDerWaalsContact C-N 3.3Å; Q256-E258 PolarHBondContact O-N 2.89Å; E258-I260 VanDerWaalsContact C-N 3.32Å; E258-I260 PolarHBondContact O-N 2.92Å; E258-R261 PolarHBondContact O-N 3.1Å; E258-Q262 WeakPolarHBondContact O-CG 3.45Å; E258-Q262 PolarHBondContact O-N 3.02Å; E258-Q262 PolarHBondContact OE1-NE2 2.9Å
259A88Confident87Confident58 Ų5885.6 Ų85.648%0.47944%0.444SS..Hα-helixtrans-61.4-39.4177.200000112.2Q256 Q262 R263Q256-A259 PolarHBondContact O-N 3.44Å; A259-Q262 PolarHBondContact O-N 3.17Å; A259-R263 WeakPolarHBondContact O-CB 3.13Å; A259-R263 PolarHBondContact O-N 3.33Å
260I86.1Confident87.5Confident55 Ų5585.2 Ų85.228%0.28244%0.437SS..Hα-helixtrans-62.9-47.3175.7-68.3162.5000110.4V249 V251 Q256 E258 Q262 R263 E264V249-I260 HydrophobicContact CG1-CD1 4.08Å; V251-I260 HydrophobicContact CG2-CD1 3.62Å; Q256-I260 HydrophobicContact CB-CD1 4.46Å; Q256-I260 WeakPolarHBondContact O-CD1 3.37Å; Q256-I260 VanDerWaalsContact O-CG1 3.23Å; Q256-I260 WeakPolarHBondContact O-CG1 3.39Å; Q256-I260 PolarHBondContact O-N 3.46Å; E258-I260 VanDerWaalsContact C-N 3.32Å; E258-I260 PolarHBondContact O-N 2.92Å; I260-Q262 VanDerWaalsContact C-N 3.33Å; I260-Q262 PolarHBondContact O-N 3.32Å; I260-R263 PolarHBondContact O-N 3.5Å; I260-E264 PolarHBondContact O-N 3.21Å
261R84.9Confident87.7Confident174 Ų17482.7 Ų82.766%0.65741%0.414SS*.Hα-helixtrans-63.5-37.3178.2-73.7-178.169153.22112.7L257 E258L257-R261 WeakPolarHBondContact O-CG 3.33Å; L257-R261 PolarHBondContact O-N 3.45Å; E258-R261 PolarHBondContact O-N 3.1Å
262Q87.4Confident88Confident105 Ų10580.4 Ų80.449%0.49140%0.4SS..Hα-helixtrans-66.8-44.2174.2-72.2178.75.500110.6E258 A259 I260 E264 A265 D266E258-Q262 WeakPolarHBondContact O-CG 3.45Å; E258-Q262 PolarHBondContact O-N 3.02Å; E258-Q262 PolarHBondContact OE1-NE2 2.9Å; A259-Q262 PolarHBondContact O-N 3.17Å; I260-Q262 VanDerWaalsContact C-N 3.33Å; I260-Q262 PolarHBondContact O-N 3.32Å; Q262-E264 VanDerWaalsContact C-N 3.31Å; Q262-E264 PolarHBondContact O-N 2.63Å; Q262-A265 WeakPolarHBondContact O-CB 3.49Å; Q262-A265 PolarHBondContact O-N 3.44Å; Q262-D266 PolarHBondContact O-N 3.42Å
263R87.8Confident88.2Confident113 Ų11374.8 Ų74.843%0.42638%0.377SS..Hα-helixtrans-60.5-38.3178.5-170.667.1-164.8146.56112.7A259 I260 A265 D266 I267 E270A259-R263 WeakPolarHBondContact O-CB 3.13Å; A259-R263 PolarHBondContact O-N 3.33Å; I260-R263 PolarHBondContact O-N 3.5Å; R263-A265 VanDerWaalsContact C-N 3.25Å; R263-A265 PolarHBondContact O-N 3.36Å; R263-D266 PolarHBondContact O-N 3Å; R263-I267 HydrophobicContact CG-CD1 4.24Å; R263-I267 HydrophobicContact CG-CG1 4.45Å; R263-I267 WeakPolarHBondContact O-CD1 3.38Å; R263-I267 VanDerWaalsContact O-CG1 3.24Å; R263-I267 WeakPolarHBondContact O-CG1 3.43Å; R263-I267 PolarHBondContact O-N 2.95Å; R263-E270 IonicContact CZ-OE1 3.49Å; R263-E270 IonicContact CZ-OE2 3.85Å; R263-E270 IonicContact NH1-OE1 2.71Å; R263-E270 PolarHBondContact NH1-OE1 3.38Å; R263-E270 IonicContact NH1-OE2 3.77Å; R263-E270 IonicContact NH2-OE1 3.32Å; R263-E270 PolarHBondContact NH2-OE1 3.4Å; R263-E270 IonicContact NH2-OE2 3.04Å; R263-E270 PolarHBondContact NH2-OE2 3.23Å
264E85Confident88.2Confident69 Ų6974.3 Ų74.332%0.32237%0.371SS..Hα-helixtrans-57.4-38173.7-73.4179.6168.600112.7I260 Q262I260-E264 PolarHBondContact O-N 3.21Å; Q262-E264 VanDerWaalsContact C-N 3.31Å; Q262-E264 PolarHBondContact O-N 2.63Å
265A85.5Confident88.5Confident18 Ų1869.2 Ų69.215%0.14934%0.338CS..Hα-helixtrans-77.7-39.2176.300000112.1Q262 R263 I267 T268 K269 L292Q262-A265 WeakPolarHBondContact O-CB 3.49Å; Q262-A265 PolarHBondContact O-N 3.44Å; R263-A265 VanDerWaalsContact C-N 3.25Å; R263-A265 PolarHBondContact O-N 3.36Å; A265-I267 VanDerWaalsContact C-N 3.34Å; A265-I267 PolarHBondContact O-N 2.91Å; A265-T268 PolarHBondContact O-N 3.28Å; A265-K269 PolarHBondContact O-N 3.04Å; A265-L292 HydrophobicContact CB-CD2 4.47Å
266D88.8Confident88.7Confident59 Ų5967 Ų6732%0.31632%0.316SS..Hα-helixtrans-63.8-37.4179.7-70-29.4000112.2Q262 R263 T268 K269 E270Q262-D266 PolarHBondContact O-N 3.42Å; R263-D266 PolarHBondContact O-N 3Å; D266-T268 VanDerWaalsContact C-N 3.31Å; D266-T268 PolarHBondContact O-N 2.91Å; D266-K269 WeakPolarHBondContact O-CB 3.19Å; D266-K269 PolarHBondContact O-N 3.34Å; D266-K269 VanDerWaalsContact O-N 3.17Å; D266-E270 WeakPolarHBondContact O-CB 3.32Å; D266-E270 WeakPolarHBondContact O-CG 3.38Å; D266-E270 PolarHBondContact O-N 3.37Å
267I88.3Confident88.9Confident48 Ų4868.4 Ų68.425%0.24633%0.327CS..Hα-helixtrans-57.2-47175.1-69.1161.6000110.5V241 R263 A265 R271V241-I267 HydrophobicContact CG2-CG2 4.06Å; R263-I267 HydrophobicContact CG-CD1 4.24Å; R263-I267 HydrophobicContact CG-CG1 4.45Å; R263-I267 WeakPolarHBondContact O-CD1 3.38Å; R263-I267 VanDerWaalsContact O-CG1 3.24Å; R263-I267 WeakPolarHBondContact O-CG1 3.43Å; R263-I267 PolarHBondContact O-N 2.95Å; A265-I267 VanDerWaalsContact C-N 3.34Å; A265-I267 PolarHBondContact O-N 2.91Å; I267-R271 WeakPolarHBondContact O-CG 3.42Å; I267-R271 PolarHBondContact O-N 2.75Å
268T88.2Confident89.1Confident4 Ų464.8 Ų64.83%0.02531%0.311CS..Hα-helixtrans-69-36.7179-510000111.3Q239 A265 D266 R271 I272 C293Q239-T268 WeakPolarHBondContact O-CG2 3.49Å; Q239-T268 PolarHBondContact O-OG1 2.84Å; A265-T268 PolarHBondContact O-N 3.28Å; D266-T268 VanDerWaalsContact C-N 3.31Å; D266-T268 PolarHBondContact O-N 2.91Å; T268-R271 PolarHBondContact O-N 3.29Å; T268-I272 HydrophobicContact CG2-CD1 4.12Å; T268-I272 VanDerWaalsContact O-CG1 3.3Å; T268-I272 WeakPolarHBondContact O-CG1 3.03Å; T268-I272 PolarHBondContact O-N 3.28Å; T268-C293 WeakPolarHBondContact CG2-SG 3.32Å
269K90.6Very high89.3Confident68 Ų6860.1 Ų60.130%0.29630%0.297SS..Hα-helixtrans-62.3-46.5174.9-176.9-173.3-178.6-172.80112.3A265 D266 R271 I272 Q273 Y296A265-K269 PolarHBondContact O-N 3.04Å; D266-K269 WeakPolarHBondContact O-CB 3.19Å; D266-K269 PolarHBondContact O-N 3.34Å; D266-K269 VanDerWaalsContact O-N 3.17Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 3.07Å; K269-I272 PolarHBondContact O-N 3.38Å; K269-Q273 WeakPolarHBondContact O-CG 3.36Å; K269-Q273 PolarHBondContact O-N 2.68Å; K269-Y296 HydrophobicContact CB-CE2 3.98Å; K269-Y296 HydrophobicContact CD-CE1 4.16Å; K269-Y296 WeakPolarHBondContact CD-OH 3.43Å; K269-Y296 HydrophobicContact CG-CE1 4.05Å; K269-Y296 HydrophobicContact CG-CE2 3.88Å
270E90.8Very high89.6Confident69 Ų6957.6 Ų57.632%0.32228%0.277SS..Hα-helixtrans-58.2-43.6177-76170.3-171.300111R263 D266 Q273 K274R263-E270 IonicContact CZ-OE1 3.49Å; R263-E270 IonicContact CZ-OE2 3.85Å; R263-E270 IonicContact NH1-OE1 2.71Å; R263-E270 PolarHBondContact NH1-OE1 3.38Å; R263-E270 IonicContact NH1-OE2 3.77Å; R263-E270 IonicContact NH2-OE1 3.32Å; R263-E270 PolarHBondContact NH2-OE1 3.4Å; R263-E270 IonicContact NH2-OE2 3.04Å; R263-E270 PolarHBondContact NH2-OE2 3.23Å; D266-E270 WeakPolarHBondContact O-CB 3.32Å; D266-E270 WeakPolarHBondContact O-CG 3.38Å; D266-E270 PolarHBondContact O-N 3.37Å; E270-Q273 PolarHBondContact O-N 3.09Å; E270-K274 VanDerWaalsContact O-CG 3.3Å; E270-K274 WeakPolarHBondContact O-CG 3.49Å; E270-K274 PolarHBondContact O-N 2.89Å
271R90.7Very high90Very high68 Ų6856.8 Ų56.826%0.25727%0.273SS..Hα-helixtrans-61.9-44.4175.7-71.1177.8173.9175.20112.8I267 T268 K269 K274 I275 L328 E335I267-R271 WeakPolarHBondContact O-CG 3.42Å; I267-R271 PolarHBondContact O-N 2.75Å; T268-R271 PolarHBondContact O-N 3.29Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 3.07Å; R271-K274 PolarHBondContact O-N 2.95Å; R271-I275 WeakPolarHBondContact O-CD1 3.42Å; R271-I275 WeakPolarHBondContact O-CG1 3.49Å; R271-I275 PolarHBondContact O-N 3.32Å; R271-L328 HydrophobicContact CB-CD1 3.68Å; R271-L328 HydrophobicContact CG-CD1 3.63Å; R271-E335 WeakPolarHBondContact CG-OE2 3.46Å; R271-E335 IonicContact CZ-OE1 3.95Å; R271-E335 VanDerWaalsContact CZ-OE1 3.25Å; R271-E335 IonicContact NE-OE1 2.63Å; R271-E335 PolarHBondContact NE-OE1 3.2Å; R271-E335 IonicContact NE-OE2 3.01Å; R271-E335 IonicContact NH2-OE1 3.92Å; R271-E335 PolarHBondContact NH2-OE1 3.39Å
272I91.8Very high90.5Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-64.1-43.7177.4-68.6164.7000110.6L238 T268 K269 K274 I275 L276 C293 Y296 F297L238-I272 HydrophobicContact CD1-CG1 4.34Å; L238-I272 HydrophobicContact CD2-CG1 4.28Å; T268-I272 HydrophobicContact CG2-CD1 4.12Å; T268-I272 VanDerWaalsContact O-CG1 3.3Å; T268-I272 WeakPolarHBondContact O-CG1 3.03Å; T268-I272 PolarHBondContact O-N 3.28Å; K269-I272 PolarHBondContact O-N 3.38Å; I272-K274 VanDerWaalsContact C-N 3.31Å; I272-K274 PolarHBondContact O-N 2.74Å; I272-I275 PolarHBondContact O-N 3.07Å; I272-L276 HydrophobicContact CG2-CD1 3.72Å; I272-L276 HydrophobicContact CG2-CG 4.25Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3.44Å; I272-C293 HydrophobicContact CD1-CB 3.48Å; I272-C293 VanDerWaalsContact CD1-CB 3.48Å; I272-Y296 HydrophobicContact CD1-CD2 3.96Å; I272-F297 HydrophobicContact CD1-CE2 4.42Å; I272-F297 HydrophobicContact CG1-CE2 4.47Å; I272-F297 HydrophobicContact CG1-CZ 4.1Å; I272-F297 HydrophobicContact CG2-CD1 4.42Å; I272-F297 HydrophobicContact CG2-CE1 3.79Å; I272-F297 HydrophobicContact CG2-CE2 4.37Å; I272-F297 HydrophobicContact CG2-CZ 3.76Å
273Q92.4Very high90.9Very high84 Ų8443.6 Ų43.639%0.39322%0.219SC..Hα-helixtrans-60.7-39.9177.2-75178.4-11.600111.9K269 E270 I275 L276 N277K269-Q273 WeakPolarHBondContact O-CG 3.36Å; K269-Q273 PolarHBondContact O-N 2.68Å; E270-Q273 PolarHBondContact O-N 3.09Å; Q273-I275 VanDerWaalsContact C-N 3.34Å; Q273-I275 PolarHBondContact O-N 2.71Å; Q273-L276 PolarHBondContact O-N 3.36Å; Q273-N277 WeakPolarHBondContact O-CB 3.44Å; Q273-N277 PolarHBondContact O-N 3.31Å; Q273-N277 PolarHBondContact O-ND2 3.42Å; Q273-N277 PolarHBondContact O-OD1 3.28Å
274K91.1Very high91.3Very high63 Ų6338.2 Ų38.227%0.27420%0.199SC..Hα-helixtrans-60.1-42.8174.7-70.4166-177.5-174.40112.4E270 R271 I272 A278 E335E270-K274 VanDerWaalsContact O-CG 3.3Å; E270-K274 WeakPolarHBondContact O-CG 3.49Å; E270-K274 PolarHBondContact O-N 2.89Å; R271-K274 PolarHBondContact O-N 2.95Å; I272-K274 VanDerWaalsContact C-N 3.31Å; I272-K274 PolarHBondContact O-N 2.74Å; K274-A278 PolarHBondContact O-N 3.06Å; K274-E335 HydrophobicContact CD-CB 4.33Å; K274-E335 VanDerWaalsContact CD-O 3.26Å; K274-E335 WeakPolarHBondContact CD-O 3.28Å; K274-E335 VanDerWaalsContact CE-O 3.24Å; K274-E335 WeakPolarHBondContact CE-O 3.37Å; K274-E335 PolarHBondContact NZ-O 3.17Å; K274-E335 IonicContact NZ-OE2 3.28Å; K274-E335 PolarHBondContact NZ-OE2 3.19Å
275I92.6Very high91.8Very high0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-64.9-44.3177.1-64.2158000111A232 L234 L238 R271 I272 Q273 A278 A280 I283 L328 F337A232-I275 HydrophobicContact CB-CG2 4.06Å; L234-I275 HydrophobicContact CD1-CD1 3.8Å; L234-I275 HydrophobicContact CD2-CD1 4.43Å; L238-I275 HydrophobicContact CD2-CD1 4.44Å; R271-I275 WeakPolarHBondContact O-CD1 3.42Å; R271-I275 WeakPolarHBondContact O-CG1 3.49Å; R271-I275 PolarHBondContact O-N 3.32Å; I272-I275 PolarHBondContact O-N 3.07Å; Q273-I275 VanDerWaalsContact C-N 3.34Å; Q273-I275 PolarHBondContact O-N 2.71Å; I275-A278 WeakPolarHBondContact O-CB 3.46Å; I275-A278 PolarHBondContact O-N 3.47Å; I275-A280 HydrophobicContact CG2-CB 3.91Å; I275-A280 WeakPolarHBondContact O-CB 3.3Å; I275-I283 HydrophobicContact CG2-CG1 4.13Å; I275-L328 HydrophobicContact CG1-CD2 4.35Å; I275-F337 HydrophobicContact CB-CD2 4.44Å; I275-F337 HydrophobicContact CG1-CD2 3.69Å; I275-F337 HydrophobicContact CG1-CE2 4.09Å; I275-F337 HydrophobicContact CG1-CG 4.31Å; I275-F337 HydrophobicContact CG2-CE2 4.5Å
276L92.6Very high92.2Very high24 Ų2435.7 Ų35.713%0.12619%0.186CC..Hα-helixtrans-68.3-39.4179-69.1172.5000112.2I272 Q273 A278 G279 I283 F297 V300 A302I272-L276 HydrophobicContact CG2-CD1 3.72Å; I272-L276 HydrophobicContact CG2-CG 4.25Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3.44Å; Q273-L276 PolarHBondContact O-N 3.36Å; L276-A278 VanDerWaalsContact C-N 3.26Å; L276-A278 PolarHBondContact O-N 2.96Å; L276-G279 WeakPolarHBondContact O-CA 3.41Å; L276-G279 PolarHBondContact O-N 3.48Å; L276-I283 HydrophobicContact CD2-CD1 4.45Å; L276-F297 HydrophobicContact CD1-CD1 4.48Å; L276-F297 HydrophobicContact CD2-CD1 4.01Å; L276-F297 HydrophobicContact CD2-CE1 4.17Å; L276-F297 HydrophobicContact CG-CE1 4.37Å; L276-V300 HydrophobicContact CD1-CG2 4.1Å; L276-V300 HydrophobicContact CD2-CG1 4.33Å; L276-A302 HydrophobicContact CD2-CB 4.12Å
277N92.3Very high92.4Very high136 Ų13633.6 Ų33.673%0.72718%0.178SC*.Hα-helixtrans-65.2-28.7177.3-71.1-13000112.4Q273 G279Q273-N277 WeakPolarHBondContact O-CB 3.44Å; Q273-N277 PolarHBondContact O-N 3.31Å; Q273-N277 PolarHBondContact O-ND2 3.42Å; Q273-N277 PolarHBondContact O-OD1 3.28Å; N277-G279 PolarHBondContact O-N 3.48Å
278A90.4Very high92.6Very high15 Ų1531.8 Ų31.812%0.12417%0.171CC..THydrogen-bonded Turntrans-67.1-12.117000000113K274 I275 L276 F337 P339 L342K274-A278 PolarHBondContact O-N 3.06Å; I275-A278 WeakPolarHBondContact O-CB 3.46Å; I275-A278 PolarHBondContact O-N 3.47Å; L276-A278 VanDerWaalsContact C-N 3.26Å; L276-A278 PolarHBondContact O-N 2.96Å; A278-F337 HydrophobicContact CB-CB 4.35Å; A278-F337 HydrophobicContact CB-CD1 3.38Å; A278-F337 HydrophobicContact CB-CE1 4.08Å; A278-F337 HydrophobicContact CB-CG 4.21Å; A278-P339 HydrophobicContact CB-CB 4.47Å; A278-L342 HydrophobicContact CB-CD1 4.37Å; A278-L342 WeakPolarHBondContact O-CD1 3.27Å
279G91Very high92.9Very high32 Ų3231.7 Ų31.733%0.3317%0.171SC..THydrogen-bonded Turntrans91.220.6177.400000114.2K230 L276 N277 N281K230-G279 WeakPolarHBondContact CB-O 3.37Å; K230-G279 WeakPolarHBondContact CD-O 3.34Å; L276-G279 WeakPolarHBondContact O-CA 3.41Å; L276-G279 PolarHBondContact O-N 3.48Å; N277-G279 PolarHBondContact O-N 3.48Å; G279-N281 PolarHBondContact O-N 3.45Å
280A93.1Very high92.9Very high6 Ų630.5 Ų30.55%0.0517%0.168CC..  trans-67.2126.8173.200000110.7K230 A232 I275 L342K230-A280 WeakPolarHBondContact O-CA 3.49Å; A232-A280 HydrophobicContact CB-CB 3.91Å; I275-A280 HydrophobicContact CG2-CB 3.91Å; I275-A280 WeakPolarHBondContact O-CB 3.3Å; A280-L342 HydrophobicContact CB-CD2 3.84Å
281N94.4Very high92.9Very high38 Ų3833.1 Ų33.120%0.20318%0.184CC..SBendtrans-108.5-17.9174.26111.8000112.7I226 K228 A229 K230 G279 A302 M303I226-N281 WeakPolarHBondContact CD1-O 3.13Å; I226-N281 HydrophobicContact CG2-CB 4.21Å; I226-N281 WeakPolarHBondContact CG2-ND2 3.3Å; K228-N281 PolarHBondContact O-ND2 2.93Å; A229-N281 VanDerWaalsContact CA-OD1 3.29Å; A229-N281 WeakPolarHBondContact CA-OD1 3.25Å; K230-N281 PolarHBondContact N-OD1 3.48Å; K230-N281 PolarHBondContact O-N 2.97Å; K230-N281 PolarHBondContact O-OD1 3.1Å; G279-N281 PolarHBondContact O-N 3.45Å; N281-A302 CarbonylContact O-C 3.56Å; N281-A302 VanDerWaalsContact O-CA 3.32Å; N281-A302 WeakPolarHBondContact O-CA 3.32Å; N281-A302 WeakPolarHBondContact O-CB 3.22Å; N281-M303 PolarHBondContact O-N 3.44Å
282V95.5Very high92.8Very high1 Ų133 Ų331%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-122.4127.3171.4-1800000108.3I226 A229 K230 I231 A232 L284 M303 V348I226-V282 HydrophobicContact CB-CG2 4.35Å; I226-V282 HydrophobicContact CD1-CG2 3.84Å; I226-V282 HydrophobicContact CG2-CG2 4.26Å; A229-V282 HydrophobicContact CB-CG2 3.91Å; K230-V282 PolarHBondContact O-N 3.39Å; I231-V282 CarbonylContact C-O 3.53Å; I231-V282 WeakPolarHBondContact CA-O 3.42Å; I231-V282 HydrophobicContact CB-CB 4.44Å; I231-V282 HydrophobicContact CG1-CB 4.1Å; I231-V282 HydrophobicContact CG1-CG1 4.48Å; I231-V282 HydrophobicContact CG2-CB 4.27Å; I231-V282 HydrophobicContact CG2-CG1 4.07Å; A232-V282 PolarHBondContact N-O 3.43Å; V282-L284 HydrophobicContact CG1-CD2 3.99Å; V282-L284 HydrophobicContact CG1-CG 4.17Å; V282-M303 CarbonylContact C-O 3.42Å; V282-M303 VanDerWaalsContact CA-O 3.3Å; V282-M303 WeakPolarHBondContact CA-O 3.33Å; V282-M303 HydrophobicContact CG2-CB 4.49Å; V282-V348 HydrophobicContact CG1-CG1 4.38Å; V282-V348 HydrophobicContact CG2-CB 4.06Å; V282-V348 HydrophobicContact CG2-CG1 4.26Å; V282-V348 HydrophobicContact CG2-CG2 4.13Å
283I95.7Very high92.7Very high0 Ų033 Ų330%019%0.188CC..EExtended strand (participates in β ladder)trans-120.2116.9179.7-58.487.2000108.3L234 I275 L276 F297 A302 M303 A304 V305L234-I283 HydrophobicContact CD1-CG2 3.62Å; L234-I283 HydrophobicContact CG-CG2 4.33Å; I275-I283 HydrophobicContact CG2-CG1 4.13Å; L276-I283 HydrophobicContact CD2-CD1 4.45Å; I283-F297 HydrophobicContact CB-CE1 4.38Å; I283-F297 HydrophobicContact CD1-CD1 3.62Å; I283-F297 HydrophobicContact CD1-CE1 3.54Å; I283-F297 HydrophobicContact CG1-CD1 4.3Å; I283-F297 HydrophobicContact CG1-CE1 3.72Å; I283-F297 HydrophobicContact CG1-CZ 4.32Å; I283-F297 HydrophobicContact CG2-CZ 4.43Å; I283-A302 HydrophobicContact CD1-CB 3.87Å; I283-M303 PolarHBondContact N-O 3.39Å; I283-A304 HydrophobicContact CB-CB 4.3Å; I283-A304 CarbonylContact O-C 3.5Å; I283-A304 WeakPolarHBondContact O-CA 3.38Å; I283-V305 PolarHBondContact O-N 3.24Å
284L96Very high92.7Very high1 Ų129.6 Ų29.61%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-112121.2176-54.3179.8000108.9I231 A232 F233 L234 V282 V305 L313 M316I231-L284 HydrophobicContact CG2-CD1 3.89Å; I231-L284 HydrophobicContact CG2-CG 4.06Å; A232-L284 PolarHBondContact O-N 2.91Å; F233-L284 HydrophobicContact CD1-CB 4.49Å; F233-L284 HydrophobicContact CD1-CD1 4.1Å; F233-L284 HydrophobicContact CE1-CD1 3.76Å; L234-L284 PolarHBondContact N-O 2.95Å; V282-L284 HydrophobicContact CG1-CD2 3.99Å; V282-L284 HydrophobicContact CG1-CG 4.17Å; L284-V305 HydrophobicContact CD2-CB 3.54Å; L284-V305 HydrophobicContact CD2-CG1 4.32Å; L284-V305 HydrophobicContact CD2-CG2 3.35Å; L284-L313 HydrophobicContact CB-CD1 4.42Å; L284-L313 HydrophobicContact CB-CD2 3.56Å; L284-L313 HydrophobicContact CD1-CD2 3.86Å; L284-L313 HydrophobicContact CG-CD2 4.33Å; L284-M316 HydrophobicContact CD1-CE 3.63Å; L284-M316 HydrophobicContact CD1-SD 3.89Å
285T95.7Very high92.7Very high0 Ų032.7 Ų32.70%019%0.186CC..EExtended strand (participates in β ladder)trans-120.7142.1176.9177.30000112.8L234 F236 G287 I289 V305 R306 R307 C308L234-T285 VanDerWaalsContact O-CA 3.31Å; L234-T285 WeakPolarHBondContact O-CA 3.42Å; F236-T285 PolarHBondContact O-OG1 3.39Å; T285-G287 WeakPolarHBondContact CG2-O 3.38Å; T285-G287 PolarHBondContact OG1-N 3.46Å; T285-I289 HydrophobicContact CG2-CD1 3.8Å; T285-I289 HydrophobicContact CG2-CG1 3.58Å; T285-V305 VanDerWaalsContact CG2-O 3.32Å; T285-V305 WeakPolarHBondContact CG2-O 3.3Å; T285-V305 PolarHBondContact N-O 3.4Å; T285-R306 HydrophobicContact CG2-CB 4.49Å; T285-R307 PolarHBondContact O-N 3.47Å; T285-R307 VanDerWaalsContact O-N 3.1Å; T285-C308 PolarHBondContact O-N 3.32Å
286T95.3Very high92.7Very high33 Ų3334.8 Ų34.820%0.20219%0.194CC..SBendtrans-70.4-24.2167.863.10000112.4L234 D235 R307 C308 K310 L313L234-T286 PolarHBondContact O-N 3.2Å; D235-T286 VanDerWaalsContact CA-OG1 3.3Å; D235-T286 WeakPolarHBondContact CA-OG1 3.28Å; D235-T286 WeakPolarHBondContact OD1-CB 3.43Å; D235-T286 VanDerWaalsContact OD1-CG2 3.27Å; D235-T286 WeakPolarHBondContact OD1-CG2 3.34Å; D235-T286 PolarHBondContact OD1-OG1 3.44Å; T286-R307 WeakPolarHBondContact O-CA 3.47Å; T286-C308 WeakPolarHBondContact CA-O 3.23Å; T286-K310 HydrophobicContact CG2-CB 3.95Å; T286-K310 HydrophobicContact CG2-CG 4.29Å; T286-L313 HydrophobicContact CG2-CD1 3.54Å; T286-L313 HydrophobicContact CG2-CG 4.38Å
287G92.2Very high92.7Very high15 Ų1533.6 Ų33.616%0.15519%0.188CC..SBendtrans-88.8-176.7-179.200000114T285 R307T285-G287 WeakPolarHBondContact CG2-O 3.38Å; T285-G287 PolarHBondContact OG1-N 3.46Å; G287-R307 PolarHBondContact O-N 2.84Å
288G92.7Very high92.8Very high10 Ų1028.5 Ų28.510%0.10316%0.161CC..  trans-75.5158.2169.400000112.7S237 L238S237-G288 CarbonylContact C-O 3.57Å; S237-G288 WeakPolarHBondContact CA-O 3.37Å; L238-G288 PolarHBondContact N-O 3.13Å
289I93.8Very high92.9Very high3 Ų333.5 Ų33.52%0.01518%0.182CC..BIsolated β-bridgetrans-120.3125164.9-56.5177.4000106.7A218 L238 T285 C293 M294 F297 A304 R306A218-I289 HydrophobicContact CB-CD1 4.39Å; L238-I289 HydrophobicContact CB-CG1 4.31Å; L238-I289 HydrophobicContact CB-CG2 4.41Å; L238-I289 HydrophobicContact CD1-CG1 4.49Å; L238-I289 WeakPolarHBondContact O-CA 3.5Å; T285-I289 HydrophobicContact CG2-CD1 3.8Å; T285-I289 HydrophobicContact CG2-CG1 3.58Å; I289-C293 HydrophobicContact CG2-CB 3.88Å; I289-M294 HydrophobicContact CB-CE 4.49Å; I289-M294 HydrophobicContact CG2-CG 3.77Å; I289-M294 VanDerWaalsContact O-CE 3.22Å; I289-M294 WeakPolarHBondContact O-CE 3.27Å; I289-F297 HydrophobicContact CG2-CE2 4.33Å; I289-A304 HydrophobicContact CD1-CB 3.73Å; I289-R306 HydrophobicContact CB-CB 4.25Å; I289-R306 HydrophobicContact CD1-CB 4.16Å; I289-R306 HydrophobicContact CG1-CB 3.89Å
290D91.4Very high92.9Very high43 Ų4336.2 Ų36.223%0.2319%0.192CC..  trans-75.9150.4175.2-80-3.2000111.1L238 Q239 K240 L292 C293 M294L238-D290 PolarHBondContact O-N 3.08Å; Q239-D290 VanDerWaalsContact CA-OD2 3.29Å; Q239-D290 WeakPolarHBondContact CA-OD2 3.42Å; Q239-D290 HydrophobicContact CB-CB 4.5Å; Q239-D290 WeakPolarHBondContact CB-OD2 2.85Å; Q239-D290 HydrophobicContact CG-CB 4.45Å; Q239-D290 WeakPolarHBondContact CG-OD1 3.17Å; Q239-D290 PolarHBondContact NE2-OD1 3.32Å; K240-D290 PolarHBondContact N-OD2 2.93Å; D290-L292 PolarHBondContact O-N 2.94Å; D290-C293 WeakPolarHBondContact O-CA 3.35Å; D290-C293 VanDerWaalsContact O-CB 3.25Å; D290-C293 WeakPolarHBondContact O-CB 3.29Å; D290-C293 PolarHBondContact O-N 3.13Å; D290-M294 PolarHBondContact O-N 3.46Å; D290-M294 VanDerWaalsContact O-N 3.09Å
291D89.7Confident92.9Very high123 Ų12341.3 Ų41.366%0.65822%0.218SC*.Hα-helixtrans-58.4-35.1-177-57.1-19.8000112.9C293 M294 K295D291-C293 PolarHBondContact O-N 2.99Å; D291-M294 WeakPolarHBondContact O-CB 3.46Å; D291-M294 PolarHBondContact O-N 3.28Å; D291-M294 WeakPolarHBondContact OD1-CE 3.5Å; D291-K295 PolarHBondContact O-N 2.94Å
292L88.3Confident92.9Very high67 Ų6739.6 Ų39.635%0.35121%0.21SC..Hα-helixtrans-61.2-35.1174.7-176.1140.3000111.9A265 D290 Y296A265-L292 HydrophobicContact CB-CD2 4.47Å; D290-L292 PolarHBondContact O-N 2.94Å; L292-Y296 HydrophobicContact CD2-CE2 3.98Å
293C90.3Very high92.8Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-76.4-33.6178.1-61.10000111.7L238 T268 I272 I289 D290 D291 K295 Y296 F297L238-C293 PolarHBondContact O-SG 2.87Å; T268-C293 WeakPolarHBondContact CG2-SG 3.32Å; I272-C293 HydrophobicContact CD1-CB 3.48Å; I272-C293 VanDerWaalsContact CD1-CB 3.48Å; I289-C293 HydrophobicContact CG2-CB 3.88Å; D290-C293 WeakPolarHBondContact O-CA 3.35Å; D290-C293 VanDerWaalsContact O-CB 3.25Å; D290-C293 WeakPolarHBondContact O-CB 3.29Å; D290-C293 PolarHBondContact O-N 3.13Å; D291-C293 PolarHBondContact O-N 2.99Å; C293-K295 PolarHBondContact O-N 3.49Å; C293-Y296 PolarHBondContact O-N 3.42Å; C293-F297 WeakPolarHBondContact O-CD2 3.39Å
294M92.1Very high92.8Very high12 Ų1239.5 Ų39.56%0.05921%0.209CC..Hα-helixtrans-59.1-35.6178-61.7-172.8-162.800112.3A218 M222 I289 D290 D291 Y296 F297 V298 R306A218-M294 HydrophobicContact CB-CE 3.95Å; A218-M294 HydrophobicContact CB-CG 4.2Å; A218-M294 HydrophobicContact CB-SD 3.85Å; M222-M294 HydrophobicContact CE-CB 4.03Å; M222-M294 HydrophobicContact CE-CG 4.37Å; I289-M294 HydrophobicContact CB-CE 4.49Å; I289-M294 HydrophobicContact CG2-CG 3.77Å; I289-M294 VanDerWaalsContact O-CE 3.22Å; I289-M294 WeakPolarHBondContact O-CE 3.27Å; D290-M294 PolarHBondContact O-N 3.46Å; D290-M294 VanDerWaalsContact O-N 3.09Å; D291-M294 WeakPolarHBondContact O-CB 3.46Å; D291-M294 PolarHBondContact O-N 3.28Å; D291-M294 WeakPolarHBondContact OD1-CE 3.5Å; M294-Y296 VanDerWaalsContact C-N 3.29Å; M294-Y296 PolarHBondContact O-N 2.88Å; M294-F297 PolarHBondContact O-N 3.34Å; M294-F297 VanDerWaalsContact O-N 3.12Å; M294-V298 WeakPolarHBondContact O-CG2 3.29Å; M294-V298 PolarHBondContact O-N 3Å; M294-R306 VanDerWaalsContact CE-NH1 3.35Å
295K92.1Very high92.8Very high127 Ų12739.5 Ų39.555%0.55221%0.209SC*.Hα-helixtrans-54.3-44.2177.2179.9177.1168177.30112.3D291 C293 F297 V298 E299D291-K295 PolarHBondContact O-N 2.94Å; C293-K295 PolarHBondContact O-N 3.49Å; K295-F297 VanDerWaalsContact C-N 3.28Å; K295-F297 PolarHBondContact O-N 3.15Å; K295-V298 PolarHBondContact O-N 3.05Å; K295-E299 WeakPolarHBondContact CE-OE1 3.47Å; K295-E299 HydrophobicContact CG-CG 4.46Å; K295-E299 IonicContact NZ-OE1 3.78Å; K295-E299 WeakPolarHBondContact O-CG 3.46Å; K295-E299 PolarHBondContact O-N 3.07Å
296Y91.7Very high92.7Very high44 Ų4444.6 Ų44.617%0.17323%0.228CC..Hα-helixtrans-65-32.8-179.2-58.7-54.4000112.7K269 I272 L292 C293 M294K269-Y296 HydrophobicContact CB-CE2 3.98Å; K269-Y296 HydrophobicContact CD-CE1 4.16Å; K269-Y296 WeakPolarHBondContact CD-OH 3.43Å; K269-Y296 HydrophobicContact CG-CE1 4.05Å; K269-Y296 HydrophobicContact CG-CE2 3.88Å; I272-Y296 HydrophobicContact CD1-CD2 3.96Å; L292-Y296 HydrophobicContact CD2-CE2 3.98Å; C293-Y296 PolarHBondContact O-N 3.42Å; M294-Y296 VanDerWaalsContact C-N 3.29Å; M294-Y296 PolarHBondContact O-N 2.88Å
297F93.9Very high92.6Very high0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-73.3-39.1174.8-65-59.3000112M222 L238 I272 L276 I283 I289 C293 M294 K295 V300 N301 A302 A304M222-F297 HydrophobicContact CE-CB 3.78Å; L238-F297 HydrophobicContact CD1-CE2 3.84Å; L238-F297 HydrophobicContact CD1-CZ 3.62Å; I272-F297 HydrophobicContact CD1-CE2 4.42Å; I272-F297 HydrophobicContact CG1-CE2 4.47Å; I272-F297 HydrophobicContact CG1-CZ 4.1Å; I272-F297 HydrophobicContact CG2-CD1 4.42Å; I272-F297 HydrophobicContact CG2-CE1 3.79Å; I272-F297 HydrophobicContact CG2-CE2 4.37Å; I272-F297 HydrophobicContact CG2-CZ 3.76Å; L276-F297 HydrophobicContact CD1-CD1 4.48Å; L276-F297 HydrophobicContact CD2-CD1 4.01Å; L276-F297 HydrophobicContact CD2-CE1 4.17Å; L276-F297 HydrophobicContact CG-CE1 4.37Å; I283-F297 HydrophobicContact CB-CE1 4.38Å; I283-F297 HydrophobicContact CD1-CD1 3.62Å; I283-F297 HydrophobicContact CD1-CE1 3.54Å; I283-F297 HydrophobicContact CG1-CD1 4.3Å; I283-F297 HydrophobicContact CG1-CE1 3.72Å; I283-F297 HydrophobicContact CG1-CZ 4.32Å; I283-F297 HydrophobicContact CG2-CZ 4.43Å; I289-F297 HydrophobicContact CG2-CE2 4.33Å; C293-F297 WeakPolarHBondContact O-CD2 3.39Å; M294-F297 PolarHBondContact O-N 3.34Å; M294-F297 VanDerWaalsContact O-N 3.12Å; K295-F297 VanDerWaalsContact C-N 3.28Å; K295-F297 PolarHBondContact O-N 3.15Å; F297-V300 PolarHBondContact O-N 2.78Å; F297-N301 PolarHBondContact O-N 2.66Å; F297-A302 HydrophobicContact CB-CB 4.46Å; F297-A302 HydrophobicContact CD1-CB 4.28Å; F297-A302 PolarHBondContact O-N 3.36Å; F297-A304 HydrophobicContact CB-CB 4.24Å; F297-A304 HydrophobicContact CD1-CB 4.38Å; F297-A304 HydrophobicContact CD2-CB 3.66Å; F297-A304 HydrophobicContact CE2-CB 4.07Å; F297-A304 HydrophobicContact CG-CB 3.84Å
298V93.3Very high92.7Very high28 Ų2851.6 Ų51.617%0.1725%0.247CC..Hα-helixtrans-63.8-43.5176.4174.20000111.1Q221 M222 M294 K295 V300 N301Q221-V298 HydrophobicContact CB-CG1 3.83Å; Q221-V298 HydrophobicContact CB-CG2 4.03Å; M222-V298 HydrophobicContact CE-CG2 4.17Å; M222-V298 HydrophobicContact CG-CG2 3.89Å; M294-V298 WeakPolarHBondContact O-CG2 3.29Å; M294-V298 PolarHBondContact O-N 3Å; K295-V298 PolarHBondContact O-N 3.05Å; V298-V300 PolarHBondContact O-N 3.13Å; V298-N301 PolarHBondContact O-N 3.16Å
299E92.4Very high92.7Very high120 Ų12058.4 Ų58.456%0.56127%0.274SS*.Hα-helixtrans-59.4-32.1179.1-75.3175.5173.100113.3K295K295-E299 WeakPolarHBondContact CE-OE1 3.47Å; K295-E299 HydrophobicContact CG-CG 4.46Å; K295-E299 IonicContact NZ-OE1 3.78Å; K295-E299 WeakPolarHBondContact O-CG 3.46Å; K295-E299 PolarHBondContact O-N 3.07Å
300V92.3Very high92.7Very high89 Ų8962.7 Ų62.754%0.53929%0.292SS..THydrogen-bonded Turntrans-95.42.1-180-175.30000112.1L276 F297 V298 A302L276-V300 HydrophobicContact CD1-CG2 4.1Å; L276-V300 HydrophobicContact CD2-CG1 4.33Å; F297-V300 PolarHBondContact O-N 2.78Å; V298-V300 PolarHBondContact O-N 3.13Å; V300-A302 VanDerWaalsContact C-N 3.28Å; V300-A302 PolarHBondContact O-N 2.77Å
301N92.5Very high92.7Very high113 Ų11365.2 Ų65.260%0.60431%0.309SS*.THydrogen-bonded Turntrans5343.7-172-64.7-52.7000112.7P223 F297 V298P223-N301 WeakPolarHBondContact CG-O 3.45Å; F297-N301 PolarHBondContact O-N 2.66Å; V298-N301 PolarHBondContact O-N 3.16Å
302A93.4Very high92.7Very high2 Ų260.2 Ų60.22%0.01728%0.282CS..  trans-97.8143.2172.400000110.7L276 N281 I283 F297 V300L276-A302 HydrophobicContact CD2-CB 4.12Å; N281-A302 CarbonylContact O-C 3.56Å; N281-A302 VanDerWaalsContact O-CA 3.32Å; N281-A302 WeakPolarHBondContact O-CA 3.32Å; N281-A302 WeakPolarHBondContact O-CB 3.22Å; I283-A302 HydrophobicContact CD1-CB 3.87Å; F297-A302 HydrophobicContact CB-CB 4.46Å; F297-A302 HydrophobicContact CD1-CB 4.28Å; F297-A302 PolarHBondContact O-N 3.36Å; V300-A302 VanDerWaalsContact C-N 3.28Å; V300-A302 PolarHBondContact O-N 2.77Å
303M95Very high93Very high0 Ų057 Ų570%027%0.266CS..EExtended strand (participates in β ladder)trans-86.6122.9172.6-179.4-174.5-75.900108.7A217 P223 R224 I226 N281 V282 I283 V305 V348 Q350 I359A217-M303 HydrophobicContact CB-CG 4.5Å; P223-M303 WeakPolarHBondContact O-CE 3.44Å; R224-M303 WeakPolarHBondContact O-CE 3.31Å; I226-M303 HydrophobicContact CD1-CB 3.42Å; I226-M303 VanDerWaalsContact CD1-CB 3.42Å; I226-M303 HydrophobicContact CG1-CB 4.49Å; N281-M303 PolarHBondContact O-N 3.44Å; V282-M303 CarbonylContact C-O 3.42Å; V282-M303 VanDerWaalsContact CA-O 3.3Å; V282-M303 WeakPolarHBondContact CA-O 3.33Å; V282-M303 HydrophobicContact CG2-CB 4.49Å; I283-M303 PolarHBondContact N-O 3.39Å; M303-V305 HydrophobicContact CG-CG2 4.32Å; M303-V348 HydrophobicContact SD-CG1 3.87Å; M303-Q350 HydrophobicContact CE-CB 4.33Å; M303-I359 HydrophobicContact SD-CD1 4.35Å
304A95.4Very high93Very high0 Ų061.9 Ų61.90%029%0.287CS..EExtended strand (participates in β ladder)trans-117.3137.6172.800000110.6A218 M222 I283 I289 F297A218-A304 VanDerWaalsContact CB-O 3.3Å; A218-A304 WeakPolarHBondContact CB-O 3.33Å; A218-A304 PolarHBondContact N-O 3.01Å; M222-A304 HydrophobicContact CE-CB 3.88Å; M222-A304 HydrophobicContact SD-CB 3.97Å; M222-A304 PolarHBondContact SD-N 3.24Å; I283-A304 HydrophobicContact CB-CB 4.3Å; I283-A304 CarbonylContact O-C 3.5Å; I283-A304 WeakPolarHBondContact O-CA 3.38Å; I289-A304 HydrophobicContact CD1-CB 3.73Å; F297-A304 HydrophobicContact CB-CB 4.24Å; F297-A304 HydrophobicContact CD1-CB 4.38Å; F297-A304 HydrophobicContact CD2-CB 3.66Å; F297-A304 HydrophobicContact CE2-CB 4.07Å; F297-A304 HydrophobicContact CG-CB 3.84Å
305V95.2Very high92.8Very high0 Ų062.8 Ų62.80%029%0.292CS..EExtended strand (participates in β ladder)trans-127.2130.7-177.1-169.60000108.2L213 C215 I283 L284 T285 M303 C308 I359L213-V305 HydrophobicContact CD2-CG1 4.39Å; C215-V305 HydrophobicContact CB-CG1 3.51Å; I283-V305 PolarHBondContact O-N 3.24Å; L284-V305 HydrophobicContact CD2-CB 3.54Å; L284-V305 HydrophobicContact CD2-CG1 4.32Å; L284-V305 HydrophobicContact CD2-CG2 3.35Å; T285-V305 VanDerWaalsContact CG2-O 3.32Å; T285-V305 WeakPolarHBondContact CG2-O 3.3Å; T285-V305 PolarHBondContact N-O 3.4Å; M303-V305 HydrophobicContact CG-CG2 4.32Å; V305-C308 WeakPolarHBondContact CG1-SG 3.26Å; V305-I359 HydrophobicContact CB-CD1 4.16Å; V305-I359 HydrophobicContact CG1-CD1 3.77Å; V305-I359 HydrophobicContact CG2-CD1 3.23Å
306R93.8Very high92.8Very high107 Ų10756.8 Ų56.840%0.40427%0.266SS..  trans-108152.8-175.965.4-176.7179.5179.4-2.3111.4T285 I289 M294 C308T285-R306 HydrophobicContact CG2-CB 4.49Å; I289-R306 HydrophobicContact CB-CB 4.25Å; I289-R306 HydrophobicContact CD1-CB 4.16Å; I289-R306 HydrophobicContact CG1-CB 3.89Å; M294-R306 VanDerWaalsContact CE-NH1 3.35Å; R306-C308 VanDerWaalsContact C-N 3.32Å; R306-C308 PolarHBondContact O-N 3.45Å
307R93.4Very high92.8Very high190 Ų19054.9 Ų54.972%0.71726%0.259SS*.SBendtrans57.437.7173-57.2-175.9-179.8-169.51114.3T285 T286 G287T285-R307 PolarHBondContact O-N 3.47Å; T285-R307 VanDerWaalsContact O-N 3.1Å; T286-R307 WeakPolarHBondContact O-CA 3.47Å; G287-R307 PolarHBondContact O-N 2.84Å
308C94.2Very high92.6Very high5 Ų561.7 Ų61.73%0.03429%0.289CS..  trans-69.5146.7174.2-52.90000110.9L213 T285 T286 V305 R306 K310 L313L213-C308 HydrophobicContact CD2-CB 4.26Å; T285-C308 PolarHBondContact O-N 3.32Å; T286-C308 WeakPolarHBondContact CA-O 3.23Å; V305-C308 WeakPolarHBondContact CG1-SG 3.26Å; R306-C308 VanDerWaalsContact C-N 3.32Å; R306-C308 PolarHBondContact O-N 3.45Å; C308-K310 PolarHBondContact O-N 3.18Å; C308-L313 HydrophobicContact CB-CD1 4.06Å; C308-L313 HydrophobicContact CB-CD2 3.58Å; C308-L313 HydrophobicContact CB-CG 3.83Å
309K92.9Very high92.3Very high154 Ų15460.5 Ų60.567%0.6728%0.282SS*.  trans-63.8132.7173.3-66.1178.7-179.7174.50109.9V311 D312 L313K309-V311 PolarHBondContact O-N 2.97Å; K309-D312 HydrophobicContact CB-CB 4.41Å; K309-D312 WeakPolarHBondContact CB-OD2 3.48Å; K309-D312 PolarHBondContact O-N 3.3Å; K309-D312 VanDerWaalsContact O-N 3.14Å; K309-L313 PolarHBondContact O-N 3.32Å; K309-L313 VanDerWaalsContact O-N 3.15Å
310K93.1Very high92.3Very high93 Ų9354.9 Ų54.940%0.40426%0.256SS..Hα-helixtrans-59.8-33.2-179.3-175.9167.9176.9162.90113.3D235 T286 C308 K314 L324D235-K310 IonicContact OD1-NZ 2.76Å; D235-K310 WeakPolarHBondContact OD2-CE 3.45Å; D235-K310 IonicContact OD2-NZ 3.63Å; D235-K310 PolarHBondContact OD2-NZ 3.18Å; T286-K310 HydrophobicContact CG2-CB 3.95Å; T286-K310 HydrophobicContact CG2-CG 4.29Å; C308-K310 PolarHBondContact O-N 3.18Å; K310-K314 WeakPolarHBondContact O-CG 3.25Å; K310-K314 PolarHBondContact O-N 3.17Å; K310-K314 VanDerWaalsContact O-N 3.16Å; K310-L324 HydrophobicContact CG-CD2 4.24Å
311V91Very high92.1Very high95 Ų9552.4 Ų52.458%0.57625%0.249SC*.Hα-helixtrans-64.6-45.2177.7-1790000110.4K309 K314 N315K309-V311 PolarHBondContact O-N 2.97Å; V311-K314 PolarHBondContact O-N 3.37Å; V311-N315 PolarHBondContact O-N 3.21Å
312D91.5Very high92.1Very high19 Ų1947.5 Ų47.510%0.10223%0.225CC..Hα-helixtrans-63.3-45.3178.6-64.3-29.3000111.7Y211 L213 K309 K314 N315 M316Y211-D312 HydrophobicContact CE1-CB 3.85Å; Y211-D312 WeakPolarHBondContact OH-CA 3.31Å; Y211-D312 PolarHBondContact OH-OD1 3.17Å; L213-D312 HydrophobicContact CD1-CB 3.72Å; K309-D312 HydrophobicContact CB-CB 4.41Å; K309-D312 WeakPolarHBondContact CB-OD2 3.48Å; K309-D312 PolarHBondContact O-N 3.3Å; K309-D312 VanDerWaalsContact O-N 3.14Å; D312-K314 VanDerWaalsContact C-N 3.28Å; D312-K314 PolarHBondContact O-N 3.06Å; D312-N315 PolarHBondContact O-N 3.44Å; D312-N315 VanDerWaalsContact O-N 3.09Å; D312-M316 WeakPolarHBondContact O-CG 3.29Å; D312-M316 PolarHBondContact O-N 2.95Å
313L92.9Very high92Very high0 Ų052.8 Ų52.80%025%0.249CC..Hα-helixtrans-61.1-38.1177.6-62.8-164.6000112.4F233 L284 T286 C308 K309 N315 A317 L324F233-L313 HydrophobicContact CD1-CB 4.27Å; F233-L313 HydrophobicContact CD1-CD2 4.25Å; L284-L313 HydrophobicContact CB-CD1 4.42Å; L284-L313 HydrophobicContact CB-CD2 3.56Å; L284-L313 HydrophobicContact CD1-CD2 3.86Å; L284-L313 HydrophobicContact CG-CD2 4.33Å; T286-L313 HydrophobicContact CG2-CD1 3.54Å; T286-L313 HydrophobicContact CG2-CG 4.38Å; C308-L313 HydrophobicContact CB-CD1 4.06Å; C308-L313 HydrophobicContact CB-CD2 3.58Å; C308-L313 HydrophobicContact CB-CG 3.83Å; K309-L313 PolarHBondContact O-N 3.32Å; K309-L313 VanDerWaalsContact O-N 3.15Å; L313-N315 VanDerWaalsContact C-N 3.35Å; L313-A317 WeakPolarHBondContact O-CB 3.46Å; L313-A317 PolarHBondContact O-N 3.34Å; L313-L324 HydrophobicContact CB-CD1 4.11Å; L313-L324 HydrophobicContact CD1-CD1 4.23Å
314K91.6Very high92Very high102 Ų10254.6 Ų54.644%0.44326%0.259SS..Hα-helixtrans-64.6-40.3175-73.8-179.6178.5-1750111.9K310 V311 D312 K318 L324K310-K314 WeakPolarHBondContact O-CG 3.25Å; K310-K314 PolarHBondContact O-N 3.17Å; K310-K314 VanDerWaalsContact O-N 3.16Å; V311-K314 PolarHBondContact O-N 3.37Å; D312-K314 VanDerWaalsContact C-N 3.28Å; D312-K314 PolarHBondContact O-N 3.06Å; K314-K318 WeakPolarHBondContact O-CG 3.49Å; K314-K318 PolarHBondContact O-N 3.05Å; K314-K318 VanDerWaalsContact O-N 3.14Å; K314-L324 HydrophobicContact CD-CD2 4.47Å; K314-L324 HydrophobicContact CG-CD2 3.75Å
315N88.3Confident91.8Very high30 Ų3055.2 Ų55.216%0.1626%0.262CS..Hα-helixtrans-68.3-46.4179-72.6-19.3000111.4K190 Y211 V311 D312 L313 A317 K318 A319K190-N315 PolarHBondContact O-ND2 3.49Å; Y211-N315 HydrophobicContact CE2-CB 3.77Å; Y211-N315 PolarHBondContact OH-ND2 3.5Å; V311-N315 PolarHBondContact O-N 3.21Å; D312-N315 PolarHBondContact O-N 3.44Å; D312-N315 VanDerWaalsContact O-N 3.09Å; L313-N315 VanDerWaalsContact C-N 3.35Å; N315-A317 VanDerWaalsContact C-N 3.34Å; N315-A317 PolarHBondContact O-N 2.87Å; N315-K318 PolarHBondContact O-N 3.44Å; N315-A319 PolarHBondContact O-N 3.49Å
316M91.3Very high91.7Very high2 Ų259.9 Ų59.91%0.0129%0.29CS..Hα-helixtrans-62.8-40175.6-68.5179.575.600112.1Y211 F233 L284 D312 K318 A319 T320 L361Y211-M316 HydrophobicContact CD1-CG 3.32Å; Y211-M316 HydrophobicContact CD1-SD 3.69Å; Y211-M316 HydrophobicContact CD2-CG 4.22Å; Y211-M316 HydrophobicContact CE1-CG 3.83Å; Y211-M316 HydrophobicContact CE1-SD 4.21Å; Y211-M316 HydrophobicContact CG-CG 3.54Å; Y211-M316 HydrophobicContact CG-SD 4.39Å; F233-M316 HydrophobicContact CD1-CB 4.5Å; F233-M316 HydrophobicContact CE1-CB 3.48Å; F233-M316 VanDerWaalsContact CE1-CB 3.48Å; F233-M316 HydrophobicContact CZ-CB 3.89Å; L284-M316 HydrophobicContact CD1-CE 3.63Å; L284-M316 HydrophobicContact CD1-SD 3.89Å; D312-M316 WeakPolarHBondContact O-CG 3.29Å; D312-M316 PolarHBondContact O-N 2.95Å; M316-K318 VanDerWaalsContact C-N 3.34Å; M316-K318 PolarHBondContact O-N 3.34Å; M316-A319 PolarHBondContact O-N 3.33Å; M316-T320 WeakPolarHBondContact O-CB 3.44Å; M316-T320 VanDerWaalsContact O-CG2 3.31Å; M316-T320 WeakPolarHBondContact O-CG2 3.23Å; M316-T320 PolarHBondContact O-N 2.88Å; M316-T320 PolarHBondContact O-OG1 2.88Å; M316-L361 HydrophobicContact CE-CB 3.96Å; M316-L361 HydrophobicContact CE-CD1 3.41Å; M316-L361 VanDerWaalsContact CE-CD1 3.41Å; M316-L361 HydrophobicContact CE-CG 4.36Å
317A92.1Very high91.3Very high4 Ų458.2 Ų58.23%0.03330%0.295CS..Hα-helixtrans-58.5-46.7174.900000111F233 L313 N315 T320 G321 G322F233-A317 HydrophobicContact CD1-CB 4.3Å; F233-A317 HydrophobicContact CD2-CB 3.75Å; F233-A317 HydrophobicContact CE1-CB 4.45Å; F233-A317 HydrophobicContact CE2-CB 3.94Å; F233-A317 HydrophobicContact CG-CB 3.95Å; F233-A317 HydrophobicContact CZ-CB 4.29Å; L313-A317 WeakPolarHBondContact O-CB 3.46Å; L313-A317 PolarHBondContact O-N 3.34Å; N315-A317 VanDerWaalsContact C-N 3.34Å; N315-A317 PolarHBondContact O-N 2.87Å; A317-T320 PolarHBondContact O-N 2.7Å; A317-T320 PolarHBondContact O-OG1 3.49Å; A317-G321 CarbonylContact O-C 3.56Å; A317-G321 WeakPolarHBondContact O-CA 3.29Å; A317-G321 PolarHBondContact O-N 2.99Å; A317-G322 CarbonylContact C-O 3.46Å; A317-G322 WeakPolarHBondContact CB-O 3.23Å; A317-G322 PolarHBondContact O-N 3.45Å
318K88.5Confident91Very high142 Ų14249.6 Ų49.662%0.61726%0.263SS*.Hα-helixtrans-60.9-46.1174.7-71175.1-178.6-1780112.7K314 N315 M316 T320 G321 H367K314-K318 WeakPolarHBondContact O-CG 3.49Å; K314-K318 PolarHBondContact O-N 3.05Å; K314-K318 VanDerWaalsContact O-N 3.14Å; N315-K318 PolarHBondContact O-N 3.44Å; M316-K318 VanDerWaalsContact C-N 3.34Å; M316-K318 PolarHBondContact O-N 3.34Å; K318-T320 VanDerWaalsContact C-N 3.31Å; K318-T320 PolarHBondContact O-N 2.98Å; K318-G321 PolarHBondContact O-N 2.67Å; K318-H367 PolarHBondContact O-CD2 3.43Å
319A88.1Confident90.5Very high4 Ų451.8 Ų51.83%0.03328%0.282CS..Hα-helixtrans-60.5-41.6-179.700000112.2N315 M316 P364 V366 H367N315-A319 PolarHBondContact O-N 3.49Å; M316-A319 PolarHBondContact O-N 3.33Å; A319-P364 HydrophobicContact CB-CB 3.88Å; A319-P364 HydrophobicContact CB-CG 4.34Å; A319-P364 WeakPolarHBondContact O-CB 3.29Å; A319-V366 WeakPolarHBondContact O-CB 3.45Å; A319-V366 PolarHBondContact O-N 3.45Å; A319-V366 VanDerWaalsContact O-N 3.13Å; A319-H367 WeakPolarHBondContact CA-O 2.8Å; A319-H367 PolarHBondContact O-N 2.96Å
320T90.9Very high89.9Confident1 Ų148.3 Ų48.31%0.00627%0.27CS..Hα-helixtrans-91.8-8.2-173.859.50000114.5I231 F233 M316 A317 K318 G322 G343 N344 A345 L361 P364I231-T320 HydrophobicContact CD1-CG2 4.21Å; F233-T320 WeakPolarHBondContact CE2-OG1 3.34Å; F233-T320 WeakPolarHBondContact CZ-OG1 3.16Å; M316-T320 WeakPolarHBondContact O-CB 3.44Å; M316-T320 VanDerWaalsContact O-CG2 3.31Å; M316-T320 WeakPolarHBondContact O-CG2 3.23Å; M316-T320 PolarHBondContact O-N 2.88Å; M316-T320 PolarHBondContact O-OG1 2.88Å; A317-T320 PolarHBondContact O-N 2.7Å; A317-T320 PolarHBondContact O-OG1 3.49Å; K318-T320 VanDerWaalsContact C-N 3.31Å; K318-T320 PolarHBondContact O-N 2.98Å; T320-G322 VanDerWaalsContact C-N 3.33Å; T320-G343 WeakPolarHBondContact OG1-CA 3.36Å; T320-N344 PolarHBondContact O-N 3.27Å; T320-A345 HydrophobicContact CG2-CB 4.31Å; T320-L361 HydrophobicContact CG2-CD1 3.59Å; T320-L361 HydrophobicContact CG2-CD2 4.19Å; T320-P364 HydrophobicContact CG2-CB 4.23Å
321G89.7Confident89.2Confident38 Ų3852.6 Ų52.639%0.39229%0.294SS..THydrogen-bonded Turntrans80.48.1-173.300000115A317 K318A317-G321 CarbonylContact O-C 3.56Å; A317-G321 WeakPolarHBondContact O-CA 3.29Å; A317-G321 PolarHBondContact O-N 2.99Å; K318-G321 PolarHBondContact O-N 2.67Å
322G91.1Very high88.5Confident10 Ų1056.1 Ų56.110%0.10330%0.304CS..  trans-78.9169.2176.600000113A317 T320 K341A317-G322 CarbonylContact C-O 3.46Å; A317-G322 WeakPolarHBondContact CB-O 3.23Å; A317-G322 PolarHBondContact O-N 3.45Å; T320-G322 VanDerWaalsContact C-N 3.33Å; G322-K341 WeakPolarHBondContact CA-O 3.31Å
323Q92.7Very high87.8Confident113 Ų11357.9 Ų57.953%0.52833%0.327SS..  trans-117.9140173.3-63.9-175.80.300110.5I325 K341Q323-I325 PolarHBondContact O-N 3.04Å; Q323-K341 HydrophobicContact CB-CB 4.31Å; Q323-K341 PolarHBondContact N-O 3.08Å
324L93.5Very high87.3Confident38 Ų3862.8 Ų62.820%0.19935%0.353CS..EExtended strand (participates in β ladder)trans-76.1114.3172-178.368.8000109.3F233 D235 K310 L313 K314F233-L324 HydrophobicContact CB-CD1 3.98Å; D235-L324 HydrophobicContact CB-CD1 4.04Å; D235-L324 HydrophobicContact CB-CD2 4.2Å; D235-L324 HydrophobicContact CB-CG 4.05Å; K310-L324 HydrophobicContact CG-CD2 4.24Å; L313-L324 HydrophobicContact CB-CD1 4.11Å; L313-L324 HydrophobicContact CD1-CD1 4.23Å; K314-L324 HydrophobicContact CD-CD2 4.47Å; K314-L324 HydrophobicContact CG-CD2 3.75Å
325I92.6Very high86.8Confident12 Ų1260.5 Ų60.56%0.06234%0.344CS..EExtended strand (participates in β ladder)trans-93.9116.8-174.6-63.7165.6000109.6F233 L234 D235 F236 Q323 S327 F337 K341F233-I325 PolarHBondContact O-N 2.94Å; L234-I325 HydrophobicContact CD2-CB 4.4Å; D235-I325 PolarHBondContact N-O 2.89Å; F236-I325 HydrophobicContact CE1-CG2 4.27Å; Q323-I325 PolarHBondContact O-N 3.04Å; I325-S327 WeakPolarHBondContact CG2-O 3.4Å; I325-F337 HydrophobicContact CD1-CD2 3.88Å; I325-F337 HydrophobicContact CD1-CE1 4.18Å; I325-F337 HydrophobicContact CD1-CE2 3.1Å; I325-F337 HydrophobicContact CD1-CZ 3.29Å; I325-F337 HydrophobicContact CG1-CE2 4.5Å; I325-K341 HydrophobicContact CD1-CB 3.96Å; I325-K341 HydrophobicContact CD1-CD 4.07Å; I325-K341 HydrophobicContact CG1-CB 4.49Å; I325-K341 HydrophobicContact CG1-CD 4.18Å
326V91.8Very high86.6Confident98 Ų9862.8 Ų62.859%0.59436%0.359SS*.SBendtrans-83.9-33.4178.8-1760000111.9D235D235-V326 HydrophobicContact CB-CG2 4.46Å
327S87Confident86.3Confident73 Ų7363.3 Ų63.351%0.5136%0.361SS..  trans-146.2150.8178.9-177.60000109.8I325 A329I325-S327 WeakPolarHBondContact CG2-O 3.4Å; S327-A329 PolarHBondContact OG-N 3.17Å
328L85.9Confident86Confident8 Ų866 Ų664%0.04238%0.375CS..SBendtrans-79.7-5.3173.8-66.5174.1000113.2F236 R271 I275 E335 V336 F337F236-L328 HydrophobicContact CE1-CD2 4.41Å; F236-L328 HydrophobicContact CE1-CG 4.21Å; F236-L328 HydrophobicContact CE2-CD1 4.34Å; F236-L328 HydrophobicContact CE2-CG 4.46Å; F236-L328 HydrophobicContact CZ-CD1 3.97Å; F236-L328 HydrophobicContact CZ-CD2 3.97Å; F236-L328 HydrophobicContact CZ-CG 3.69Å; R271-L328 HydrophobicContact CB-CD1 3.68Å; R271-L328 HydrophobicContact CG-CD1 3.63Å; I275-L328 HydrophobicContact CG1-CD2 4.35Å; L328-E335 HydrophobicContact CB-CB 4.33Å; L328-E335 HydrophobicContact CB-CG 4.23Å; L328-E335 CarbonylContact O-C 3.54Å; L328-E335 VanDerWaalsContact O-CA 3.29Å; L328-E335 WeakPolarHBondContact O-CA 3.07Å; L328-V336 PolarHBondContact O-N 2.92Å; L328-V336 VanDerWaalsContact O-O 3.13Å; L328-F337 HydrophobicContact CD2-CB 4.42Å; L328-F337 HydrophobicContact CD2-CD2 3.64Å; L328-F337 HydrophobicContact CD2-CE2 4.48Å
329A83.5Confident86Confident52 Ų5262.9 Ų62.943%0.4337%0.369SS..BIsolated β-bridgetrans-69.2132.8179.300000111.5S327 D334S327-A329 PolarHBondContact OG-N 3.17Å; A329-D334 CarbonylContact C-O 3.6Å; A329-D334 WeakPolarHBondContact CA-O 3.45Å
330D81.4Confident86Confident81 Ų8167.6 Ų67.643%0.43340%0.397SS..  trans-90.1177.6166.8-157.91.6000111.2E332 G333 D334D330-E332 PolarHBondContact O-N 3.12Å; D330-G333 PolarHBondContact O-N 3.46Å; D330-D334 PolarHBondContact N-O 3.35Å
331M78.2Confident86Confident183 Ų18370.1 Ų70.190%0.90141%0.408SS*.THydrogen-bonded Turntrans-58.3-26.8-180-64.2-64.8-7000113.4G333M331-G333 VanDerWaalsContact C-N 3.34Å
332E76.9Confident86.1Confident169 Ų16968.7 Ų68.779%0.7939%0.392SS*.THydrogen-bonded Turntrans-86.5-3.6178-60.6-173.8165.800113.1D330 D334D330-E332 PolarHBondContact O-N 3.12Å; E332-D334 VanDerWaalsContact C-N 3.28Å
333G75.9Confident86.2Confident56 Ų5668.2 Ų68.258%0.57739%0.387SS*.SBendtrans86-5.9-177.800000114.4D330 M331D330-G333 PolarHBondContact O-N 3.46Å; M331-G333 VanDerWaalsContact C-N 3.34Å
334D81.8Confident86.3Confident103 Ų10365.4 Ų65.455%0.55138%0.376SS*.  trans-73143.9173-76.7-28.1000111.5A329 D330 E332 V336A329-D334 CarbonylContact C-O 3.6Å; A329-D334 WeakPolarHBondContact CA-O 3.45Å; D330-D334 PolarHBondContact N-O 3.35Å; E332-D334 VanDerWaalsContact C-N 3.28Å; D334-V336 HydrophobicContact CB-CG2 4.29Å; D334-V336 PolarHBondContact O-N 3.12Å
335E82Confident86.2Confident54 Ų5463.7 Ų63.725%0.25237%0.367SS..BIsolated β-bridgetrans-83.8104174.2-80-174.9174.600109.7R271 K274 L328R271-E335 WeakPolarHBondContact CG-OE2 3.46Å; R271-E335 IonicContact CZ-OE1 3.95Å; R271-E335 VanDerWaalsContact CZ-OE1 3.25Å; R271-E335 IonicContact NE-OE1 2.63Å; R271-E335 PolarHBondContact NE-OE1 3.2Å; R271-E335 IonicContact NE-OE2 3.01Å; R271-E335 IonicContact NH2-OE1 3.92Å; R271-E335 PolarHBondContact NH2-OE1 3.39Å; K274-E335 HydrophobicContact CD-CB 4.33Å; K274-E335 VanDerWaalsContact CD-O 3.26Å; K274-E335 WeakPolarHBondContact CD-O 3.28Å; K274-E335 VanDerWaalsContact CE-O 3.24Å; K274-E335 WeakPolarHBondContact CE-O 3.37Å; K274-E335 PolarHBondContact NZ-O 3.17Å; K274-E335 IonicContact NZ-OE2 3.28Å; K274-E335 PolarHBondContact NZ-OE2 3.19Å; L328-E335 HydrophobicContact CB-CB 4.33Å; L328-E335 HydrophobicContact CB-CG 4.23Å; L328-E335 CarbonylContact O-C 3.54Å; L328-E335 VanDerWaalsContact O-CA 3.29Å; L328-E335 WeakPolarHBondContact O-CA 3.07Å
336V83.5Confident86.2Confident77 Ų7769.6 Ų69.647%0.46739%0.394SS..  trans-131.9139.7179.1-178.70000110L328 D334L328-V336 PolarHBondContact O-N 2.92Å; L328-V336 VanDerWaalsContact O-O 3.13Å; D334-V336 HydrophobicContact CB-CG2 4.29Å; D334-V336 PolarHBondContact O-N 3.12Å
337F85.4Confident86.3Confident13 Ų1367.5 Ų67.56%0.05738%0.378CS..  trans-105.5104.6171.3-165.3-75000109.6A232 L234 I275 A278 I325 L328 L342A232-F337 HydrophobicContact CB-CE2 4.3Å; A232-F337 HydrophobicContact CB-CZ 3.81Å; L234-F337 HydrophobicContact CD2-CE2 3.9Å; I275-F337 HydrophobicContact CB-CD2 4.44Å; I275-F337 HydrophobicContact CG1-CD2 3.69Å; I275-F337 HydrophobicContact CG1-CE2 4.09Å; I275-F337 HydrophobicContact CG1-CG 4.31Å; I275-F337 HydrophobicContact CG2-CE2 4.5Å; A278-F337 HydrophobicContact CB-CB 4.35Å; A278-F337 HydrophobicContact CB-CD1 3.38Å; A278-F337 HydrophobicContact CB-CE1 4.08Å; A278-F337 HydrophobicContact CB-CG 4.21Å; I325-F337 HydrophobicContact CD1-CD2 3.88Å; I325-F337 HydrophobicContact CD1-CE1 4.18Å; I325-F337 HydrophobicContact CD1-CE2 3.1Å; I325-F337 HydrophobicContact CD1-CZ 3.29Å; I325-F337 HydrophobicContact CG1-CE2 4.5Å; L328-F337 HydrophobicContact CD2-CB 4.42Å; L328-F337 HydrophobicContact CD2-CD2 3.64Å; L328-F337 HydrophobicContact CD2-CE2 4.48Å; F337-L342 HydrophobicContact CE1-CD2 3.4Å; F337-L342 HydrophobicContact CE1-CG 3.8Å; F337-L342 HydrophobicContact CZ-CD2 3.7Å; F337-L342 HydrophobicContact CZ-CG 4.5Å
338D86Confident86.6Confident61 Ų6164.1 Ų64.133%0.32635%0.354SS..  trans-72.5122.3178.5-175.9-7.7000110.7T340 K341D338-T340 PolarHBondContact O-N 3.45Å; D338-T340 VanDerWaalsContact O-N 3.15Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.48Å; D338-T340 PolarHBondContact OD1-N 3.27Å; D338-T340 PolarHBondContact OD1-OG1 3.27Å; D338-T340 VanDerWaalsContact OD1-OG1 3.08Å; D338-T340 PolarHBondContact OD2-OG1 3.13Å; D338-K341 HydrophobicContact CB-CD 4.22Å; D338-K341 HydrophobicContact CB-CG 4.25Å; D338-K341 WeakPolarHBondContact O-CB 3.46Å; D338-K341 PolarHBondContact O-N 3.36Å; D338-K341 VanDerWaalsContact O-N 3.1Å
339P88.2Confident87Confident77 Ų7763.9 Ų63.950%0.535%0.353SS..G310 helixtrans-59.9-20.517725.7-36.5000114A278 K341 L342A278-P339 HydrophobicContact CB-CB 4.47Å; P339-K341 PolarHBondContact O-N 3.34Å; P339-L342 HydrophobicContact CB-CD1 4.5Å; P339-L342 WeakPolarHBondContact O-CB 3.34Å; P339-L342 PolarHBondContact O-N 2.98Å
340T89Confident87.5Confident102 Ų10262.5 Ų62.563%0.62634%0.338SS*.G310 helixtrans-64.5-21.6175.667.20000113D338 L342D338-T340 PolarHBondContact O-N 3.45Å; D338-T340 VanDerWaalsContact O-N 3.15Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.48Å; D338-T340 PolarHBondContact OD1-N 3.27Å; D338-T340 PolarHBondContact OD1-OG1 3.27Å; D338-T340 VanDerWaalsContact OD1-OG1 3.08Å; D338-T340 PolarHBondContact OD2-OG1 3.13Å; T340-L342 VanDerWaalsContact C-N 3.29Å; T340-L342 PolarHBondContact O-N 2.81Å
341K89.6Confident88Confident54 Ų5461.6 Ų61.624%0.23533%0.331CS..G310 helixtrans-82.1-6.4-179.4-60.2179.1-177.1170.50113.1G322 Q323 I325 D338 P339G322-K341 WeakPolarHBondContact CA-O 3.31Å; Q323-K341 HydrophobicContact CB-CB 4.31Å; Q323-K341 PolarHBondContact N-O 3.08Å; I325-K341 HydrophobicContact CD1-CB 3.96Å; I325-K341 HydrophobicContact CD1-CD 4.07Å; I325-K341 HydrophobicContact CG1-CB 4.49Å; I325-K341 HydrophobicContact CG1-CD 4.18Å; D338-K341 HydrophobicContact CB-CD 4.22Å; D338-K341 HydrophobicContact CB-CG 4.25Å; D338-K341 WeakPolarHBondContact O-CB 3.46Å; D338-K341 PolarHBondContact O-N 3.36Å; D338-K341 VanDerWaalsContact O-N 3.1Å; P339-K341 PolarHBondContact O-N 3.34Å
342L92.7Very high88.5Confident8 Ų860.9 Ų60.94%0.04232%0.318CS..  trans-75.5134.8179.2-65.5173.9000111.7K230 I231 A232 A278 A280 F337 P339 T340K230-L342 HydrophobicContact CB-CD1 4.36Å; I231-L342 WeakPolarHBondContact O-CA 3.46Å; A232-L342 HydrophobicContact CB-CD2 3.82Å; A278-L342 HydrophobicContact CB-CD1 4.37Å; A278-L342 WeakPolarHBondContact O-CD1 3.27Å; A280-L342 HydrophobicContact CB-CD2 3.84Å; F337-L342 HydrophobicContact CE1-CD2 3.4Å; F337-L342 HydrophobicContact CE1-CG 3.8Å; F337-L342 HydrophobicContact CZ-CD2 3.7Å; F337-L342 HydrophobicContact CZ-CG 4.5Å; P339-L342 HydrophobicContact CB-CD1 4.5Å; P339-L342 WeakPolarHBondContact O-CB 3.34Å; P339-L342 PolarHBondContact O-N 2.98Å; T340-L342 VanDerWaalsContact C-N 3.29Å; T340-L342 PolarHBondContact O-N 2.81Å
343G93.1Very high89.1Confident0 Ų053 Ų530%028%0.281CS..EExtended strand (participates in β ladder)trans-76.1152.2168.600000111.7K230 I231 T320K230-G343 CarbonylContact C-O 3.6Å; K230-G343 WeakPolarHBondContact CA-O 3.49Å; I231-G343 PolarHBondContact N-O 3.35Å; I231-G343 PolarHBondContact O-N 2.92Å; T320-G343 WeakPolarHBondContact OG1-CA 3.36Å
344N93.5Very high89.4Confident55 Ų5552.7 Ų52.729%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-120131.2175.5-66.2-79.4000111.4A229 T320 K365A229-N344 WeakPolarHBondContact O-CA 3.23Å; T320-N344 PolarHBondContact O-N 3.27Å; N344-K365 HydrophobicContact CB-CD 3.65Å; N344-K365 HydrophobicContact CB-CG 4.11Å; N344-K365 PolarHBondContact O-N 2.96Å
345A92.8Very high89.5Confident2 Ų253.1 Ų53.12%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-137158.1172.900000111.4K228 A229 I231 T320 L361 G363K228-A345 CarbonylContact C-O 3.37Å; A229-A345 HydrophobicContact CB-CB 4.38Å; A229-A345 PolarHBondContact N-O 3.28Å; A229-A345 PolarHBondContact O-N 3.11Å; I231-A345 HydrophobicContact CD1-CB 4.05Å; T320-A345 HydrophobicContact CG2-CB 4.31Å; A345-L361 HydrophobicContact CB-CD1 4.04Å; A345-L361 HydrophobicContact CB-CD2 3.74Å; A345-L361 HydrophobicContact CB-CG 3.73Å; A345-G363 WeakPolarHBondContact CA-O 3.3Å
346E92.3Very high89.8Confident135 Ų13553.4 Ų53.463%0.63128%0.276SS*.EExtended strand (participates in β ladder)trans-70.5-44.2178.9-71.1-176.317100112.4K228 R362 G363K228-E346 PolarHBondContact N-O 3.43Å; E346-R362 PolarHBondContact N-O 2.88Å; E346-G363 PolarHBondContact N-O 2.93Å
347E93.5Very high90.1Very high55 Ų5552.4 Ų52.426%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-150.8140.5-178.2-174.7170.4176.200110.8I225 I226 R362I225-E347 HydrophobicContact CG2-CG 4.24Å; I225-E347 VanDerWaalsContact CG2-OE1 3.23Å; I225-E347 WeakPolarHBondContact CG2-OE1 3.18Å; I226-E347 WeakPolarHBondContact O-CA 3.36Å; E347-R362 PolarHBondContact N-O 3.36Å; E347-R362 PolarHBondContact O-N 3.42Å
348V94.2Very high90.5Very high2 Ų252 Ų521%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-121.5115.3165.6176.50000107.4I226 A229 I231 V282 M303 I359 I360 L361I226-V348 PolarHBondContact N-O 3.14Å; I226-V348 PolarHBondContact O-N 2.97Å; A229-V348 HydrophobicContact CB-CB 4.22Å; A229-V348 HydrophobicContact CB-CG2 3.54Å; I231-V348 HydrophobicContact CD1-CG2 3.91Å; V282-V348 HydrophobicContact CG1-CG1 4.38Å; V282-V348 HydrophobicContact CG2-CB 4.06Å; V282-V348 HydrophobicContact CG2-CG1 4.26Å; V282-V348 HydrophobicContact CG2-CG2 4.13Å; M303-V348 HydrophobicContact SD-CG1 3.87Å; V348-I359 HydrophobicContact CG1-CG2 3.71Å; V348-I360 WeakPolarHBondContact CA-O 3.35Å; V348-L361 HydrophobicContact CG2-CB 4.36Å; V348-L361 HydrophobicContact CG2-CD1 4.46Å; V348-L361 HydrophobicContact CG2-CG 4.19Å
349S93.9Very high90.8Very high2 Ų249.1 Ų49.11%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-116.3146.1179.560.30000110.8R224 E351 I359 I360R224-S349 CarbonylContact O-C 3.09Å; R224-S349 WeakPolarHBondContact O-CA 3.45Å; S349-E351 PolarHBondContact OG-OE1 3.44Å; S349-I359 CarbonylContact O-C 3.33Å; S349-I359 WeakPolarHBondContact O-CA 3.37Å; S349-I360 PolarHBondContact N-O 3Å; S349-I360 PolarHBondContact O-N 3.5Å
350Q93.6Very high91.1Very high24 Ų2445.4 Ų45.411%0.11223%0.225CC..EExtended strand (participates in β ladder)trans-102110.9165.4-177176.9-4.400107.4R224 M303 E357 L358 I359R224-Q350 HydrophobicContact CB-CB 4.32Å; R224-Q350 PolarHBondContact O-N 3.4Å; M303-Q350 HydrophobicContact CE-CB 4.33Å; Q350-E357 HydrophobicContact CG-CB 4.37Å; Q350-E357 PolarHBondContact NE2-OE2 3.38Å; Q350-L358 CarbonylContact C-O 3.55Å; Q350-L358 WeakPolarHBondContact CA-O 3.26Å; Q350-I359 HydrophobicContact CB-CG1 4.44Å; Q350-I359 HydrophobicContact CG-CG1 4.44Å
351E91.8Very high91.3Very high61 Ų6140.6 Ų40.629%0.28520%0.195SC..EExtended strand (participates in β ladder)trans-115.1137.2-177.6-67178-150.500109.6S349 L358 I360 R362S349-E351 PolarHBondContact OG-OE1 3.44Å; E351-L358 PolarHBondContact N-O 3.03Å; E351-L358 PolarHBondContact O-N 2.96Å; E351-I360 HydrophobicContact CB-CD1 3.91Å; E351-I360 HydrophobicContact CG-CD1 4.1Å; E351-R362 IonicContact OE1-CZ 2.87Å; E351-R362 IonicContact OE1-NE 2.62Å; E351-R362 IonicContact OE1-NH2 3.25Å; E351-R362 PolarHBondContact OE1-NH2 2.97Å; E351-R362 IonicContact OE2-NH2 3.76Å; E351-R362 PolarHBondContact OE2-NH2 3.22Å
352R90.1Very high91.4Very high168 Ų16843 Ų4363%0.63420%0.202SC*.EExtended strand (participates in β ladder)trans-85.1120.9174.5-175.6174.8173.7170.21.8109.4C354 D355 D356 E357R352-C354 WeakPolarHBondContact CG-O 3.36Å; R352-C354 PolarHBondContact NE-O 3.08Å; R352-D355 IonicContact NH2-OD1 2.77Å; R352-D355 PolarHBondContact NH2-OD1 3.31Å; R352-D356 CarbonylContact C-O 3.47Å; R352-D356 WeakPolarHBondContact CA-O 3.3Å; R352-E357 HydrophobicContact CB-CG 4.21Å; R352-E357 HydrophobicContact CG-CG 4.27Å
353I87.6Confident91Very high4 Ų443.5 Ų43.52%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-120.6103.7177.9-69161.9000107.3A197 M206 D355 D356 L358 I360 I373 R375A197-I353 HydrophobicContact CB-CG2 3.87Å; M206-I353 HydrophobicContact CE-CD1 3.24Å; M206-I353 HydrophobicContact CE-CG1 3.82Å; I353-D355 PolarHBondContact O-N 3.34Å; I353-D356 CarbonylContact C-O 3.53Å; I353-D356 PolarHBondContact N-O 3.13Å; I353-D356 PolarHBondContact O-N 3.31Å; I353-L358 HydrophobicContact CB-CD1 4.21Å; I353-L358 HydrophobicContact CD1-CB 4.33Å; I353-L358 HydrophobicContact CD1-CD1 3.47Å; I353-L358 VanDerWaalsContact CD1-CD1 3.47Å; I353-L358 HydrophobicContact CD1-CG 4.15Å; I353-L358 HydrophobicContact CG1-CD1 4.41Å; I353-I360 HydrophobicContact CD1-CD1 4.24Å; I353-I373 HydrophobicContact CD1-CD1 3.55Å; I353-I373 HydrophobicContact CG2-CG2 4.27Å; I353-R375 VanDerWaalsContact CG2-NH2 3.33Å
354C83.2Confident90.7Very high50 Ų5044.4 Ų44.434%0.33822%0.216SC..THydrogen-bonded Turntrans60-118.7-168.7-158.40000111.6H198 R352H198-C354 PolarHBondContact O-SG 3.03Å; R352-C354 WeakPolarHBondContact CG-O 3.36Å; R352-C354 PolarHBondContact NE-O 3.08Å
355D84.8Confident90Very high111 Ų11148.7 Ų48.759%0.59423%0.232SC*.THydrogen-bonded Turntrans-94.5-14.6178.7-68.1-34.7000113.1R352 I353R352-D355 IonicContact NH2-OD1 2.77Å; R352-D355 PolarHBondContact NH2-OD1 3.31Å; I353-D355 PolarHBondContact O-N 3.34Å
356D87.1Confident89.5Confident61 Ų6152.3 Ų52.333%0.32625%0.254SS..EExtended strand (participates in β ladder)trans-89.9146.3177.2-70.7-22.9000111.6R352 I353 L358R352-D356 CarbonylContact C-O 3.47Å; R352-D356 WeakPolarHBondContact CA-O 3.3Å; I353-D356 CarbonylContact C-O 3.53Å; I353-D356 PolarHBondContact N-O 3.13Å; I353-D356 PolarHBondContact O-N 3.31Å; D356-L358 HydrophobicContact CB-CD2 4.28Å
357E90Very high88.9Confident55 Ų5549.7 Ų49.726%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-106.1119.7168.1-69.1-176.9164.700108.4T216 Q350 R352T216-E357 HydrophobicContact CG2-CB 3.84Å; Q350-E357 HydrophobicContact CG-CB 4.37Å; Q350-E357 PolarHBondContact NE2-OE2 3.38Å; R352-E357 HydrophobicContact CB-CG 4.21Å; R352-E357 HydrophobicContact CG-CG 4.27Å
358L93.1Very high88.2Confident4 Ų450.8 Ų50.82%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-109.5145.9-177.8-54.6-178.6000110L195 L213 N214 Q350 E351 I353 D356 I373L195-L358 HydrophobicContact CD1-CD1 3.87Å; L195-L358 HydrophobicContact CD1-CD2 4.3Å; L213-L358 WeakPolarHBondContact O-CA 3.48Å; N214-L358 HydrophobicContact CB-CD2 3.76Å; Q350-L358 CarbonylContact C-O 3.55Å; Q350-L358 WeakPolarHBondContact CA-O 3.26Å; E351-L358 PolarHBondContact N-O 3.03Å; E351-L358 PolarHBondContact O-N 2.96Å; I353-L358 HydrophobicContact CB-CD1 4.21Å; I353-L358 HydrophobicContact CD1-CB 4.33Å; I353-L358 HydrophobicContact CD1-CD1 3.47Å; I353-L358 VanDerWaalsContact CD1-CD1 3.47Å; I353-L358 HydrophobicContact CD1-CG 4.15Å; I353-L358 HydrophobicContact CG1-CD1 4.41Å; D356-L358 HydrophobicContact CB-CD2 4.28Å; L358-I373 HydrophobicContact CD1-CD1 3.64Å
359I93.8Very high87.8Confident1 Ų151 Ų511%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-95.8119.9170.8-67.9172.3000108.3A212 L213 C215 M303 V305 V348 S349 Q350A212-I359 CarbonylContact C-O 3.55Å; A212-I359 WeakPolarHBondContact CA-O 3.46Å; L213-I359 HydrophobicContact CB-CB 4.4Å; L213-I359 PolarHBondContact N-O 3.43Å; L213-I359 PolarHBondContact O-N 2.92Å; C215-I359 WeakPolarHBondContact O-CD1 3.47Å; C215-I359 WeakPolarHBondContact O-CG1 3.5Å; M303-I359 HydrophobicContact SD-CD1 4.35Å; V305-I359 HydrophobicContact CB-CD1 4.16Å; V305-I359 HydrophobicContact CG1-CD1 3.77Å; V305-I359 HydrophobicContact CG2-CD1 3.23Å; V348-I359 HydrophobicContact CG1-CG2 3.71Å; S349-I359 CarbonylContact O-C 3.33Å; S349-I359 WeakPolarHBondContact O-CA 3.37Å; Q350-I359 HydrophobicContact CB-CG1 4.44Å; Q350-I359 HydrophobicContact CG-CG1 4.44Å
360I93.6Very high87.6Confident0 Ų051 Ų510%025%0.254CS..EExtended strand (participates in β ladder)trans-110.7119.6-177.9-63.3167.9000108.3I208 A212 V348 S349 E351 I353 R362I208-I360 HydrophobicContact CD1-CD1 3.71Å; I208-I360 HydrophobicContact CD1-CG1 3.96Å; I208-I360 HydrophobicContact CD1-CG2 4.2Å; I208-I360 HydrophobicContact CG2-CG2 3.64Å; A212-I360 HydrophobicContact CB-CG1 4.35Å; V348-I360 WeakPolarHBondContact CA-O 3.35Å; S349-I360 PolarHBondContact N-O 3Å; S349-I360 PolarHBondContact O-N 3.5Å; E351-I360 HydrophobicContact CB-CD1 3.91Å; E351-I360 HydrophobicContact CG-CD1 4.1Å; I353-I360 HydrophobicContact CD1-CD1 4.24Å; I360-R362 HydrophobicContact CG2-CG 3.73Å
361L92.6Very high87.6Confident0 Ų049.8 Ų49.80%025%0.249CC..EExtended strand (participates in β ladder)trans-96.3116.6170.2-178.1159.6000108.4G210 Y211 I231 M316 T320 A345 V348 P364G210-L361 CarbonylContact C-O 3.54Å; G210-L361 WeakPolarHBondContact CA-O 3.35Å; Y211-L361 PolarHBondContact N-O 3.5Å; Y211-L361 WeakPolarHBondContact O-CB 3.37Å; Y211-L361 PolarHBondContact O-N 2.7Å; I231-L361 HydrophobicContact CD1-CD1 3.3Å; I231-L361 HydrophobicContact CD1-CG 4.27Å; M316-L361 HydrophobicContact CE-CB 3.96Å; M316-L361 HydrophobicContact CE-CD1 3.41Å; M316-L361 VanDerWaalsContact CE-CD1 3.41Å; M316-L361 HydrophobicContact CE-CG 4.36Å; T320-L361 HydrophobicContact CG2-CD1 3.59Å; T320-L361 HydrophobicContact CG2-CD2 4.19Å; A345-L361 HydrophobicContact CB-CD1 4.04Å; A345-L361 HydrophobicContact CB-CD2 3.74Å; A345-L361 HydrophobicContact CB-CG 3.73Å; V348-L361 HydrophobicContact CG2-CB 4.36Å; V348-L361 HydrophobicContact CG2-CD1 4.46Å; V348-L361 HydrophobicContact CG2-CG 4.19Å; L361-P364 HydrophobicContact CD2-CB 4Å; L361-P364 HydrophobicContact CD2-CG 4.37Å
362R91.4Very high87.7Confident104 Ų10446.9 Ų46.939%0.39224%0.235SC..EExtended strand (participates in β ladder)trans-106.6144.8177.1-54-172.3-174.2-145.62.5110.8E346 E347 E351 I360E346-R362 PolarHBondContact N-O 2.88Å; E347-R362 PolarHBondContact N-O 3.36Å; E347-R362 PolarHBondContact O-N 3.42Å; E351-R362 IonicContact OE1-CZ 2.87Å; E351-R362 IonicContact OE1-NE 2.62Å; E351-R362 IonicContact OE1-NH2 3.25Å; E351-R362 PolarHBondContact OE1-NH2 2.97Å; E351-R362 IonicContact OE2-NH2 3.76Å; E351-R362 PolarHBondContact OE2-NH2 3.22Å; I360-R362 HydrophobicContact CG2-CG 3.73Å
363G85.9Confident87.9Confident19 Ų1938.9 Ų38.920%0.19621%0.205CC..EExtended strand (participates in β ladder)trans61.361.117500000114.6A345 E346A345-G363 WeakPolarHBondContact CA-O 3.3Å; E346-G363 PolarHBondContact N-O 2.93Å
364P85.3Confident88.2Confident20 Ų2038.7 Ų38.713%0.1320%0.204CC..EExtended strand (participates in β ladder)trans-64.2137.116929-34.2000110.7A319 T320 L361 H367A319-P364 HydrophobicContact CB-CB 3.88Å; A319-P364 HydrophobicContact CB-CG 4.34Å; A319-P364 WeakPolarHBondContact O-CB 3.29Å; T320-P364 HydrophobicContact CG2-CB 4.23Å; L361-P364 HydrophobicContact CD2-CB 4Å; L361-P364 HydrophobicContact CD2-CG 4.37Å; P364-H367 WeakPolarHBondContact CG-O 3.39Å
365K80.3Confident88.6Confident145 Ų14537.2 Ų37.263%0.6319%0.191SC*.SBendtrans-77.8-26.5-172.3-69.9-166.7-174.7173.10116N344N344-K365 HydrophobicContact CB-CD 3.65Å; N344-K365 HydrophobicContact CB-CG 4.11Å; N344-K365 PolarHBondContact O-N 2.96Å
366V80.9Confident88.8Confident78 Ų7832 Ų3247%0.47316%0.164SC..SBendtrans-100.6-60.2-167.1-178.50000111.5A319A319-V366 WeakPolarHBondContact O-CB 3.45Å; A319-V366 PolarHBondContact O-N 3.45Å; A319-V366 VanDerWaalsContact O-N 3.13Å
367H79.7Confident89Confident80 Ų8033.3 Ų33.337%0.3718%0.183SC..SBendtrans-120.8128.7175.6-62.4-60.8000108.8K318 A319 P364 S369K318-H367 PolarHBondContact O-CD2 3.43Å; A319-H367 WeakPolarHBondContact CA-O 2.8Å; A319-H367 PolarHBondContact O-N 2.96Å; P364-H367 WeakPolarHBondContact CG-O 3.39Å; H367-S369 PolarHBondContact O-N 3.13Å
368P79.6Confident89Confident77 Ų7734.2 Ų34.250%0.519%0.19SC..  trans-61140.7170.323-26000109.2A175A175-P368 CarbonylContact O-C 3.54Å; A175-P368 WeakPolarHBondContact O-CB 3.2Å; A175-P368 WeakPolarHBondContact O-CG 3.37Å
369S84.8Confident88.8Confident7 Ų738.1 Ų38.15%0.04921%0.211CC..  trans-128.3150.1175.763.30000107.7G210 Y211 H367G210-S369 CarbonylContact C-O 3.54Å; G210-S369 WeakPolarHBondContact CA-O 3.43Å; G210-S369 PolarHBondContact N-O 3.45Å; G210-S369 CarbonylContact O-C 3.58Å; G210-S369 PolarHBondContact O-OG 3.37Å; Y211-S369 PolarHBondContact N-OG 3.09Å; H367-S369 PolarHBondContact O-N 3.13Å
370A90.5Very high88.5Confident1 Ų142.5 Ų42.51%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-122.9147176.400000109.8A172 A175 V176 V192 N193 L207 G210A172-A370 HydrophobicContact CB-CB 3.9Å; A175-A370 HydrophobicContact CB-CB 4.23Å; V176-A370 HydrophobicContact CG1-CB 4.4Å; V192-A370 WeakPolarHBondContact CA-O 3.38Å; N193-A370 PolarHBondContact N-O 3Å; N193-A370 VanDerWaalsContact N-O 3.15Å; L207-A370 HydrophobicContact CD1-CB 4.16Å; G210-A370 CarbonylContact O-C 3.5Å; G210-A370 WeakPolarHBondContact O-CA 3.27Å; G210-A370 PolarHBondContact O-N 3.3Å
371S93Very high88.2Confident0 Ų045.2 Ų45.20%024%0.241CC..EExtended strand (participates in β ladder)trans-131.4136.2169.3-61.80000110.1N193 I208 G210 Y211 A212N193-S371 CarbonylContact O-C 3.54Å; N193-S371 WeakPolarHBondContact O-CA 3.32Å; I208-S371 PolarHBondContact N-O 3.19Å; I208-S371 PolarHBondContact O-N 3.23Å; G210-S371 PolarHBondContact O-N 2.97Å; G210-S371 VanDerWaalsContact O-N 3.15Å; G210-S371 PolarHBondContact O-OG 3.04Å; G210-S371 VanDerWaalsContact O-OG 3.08Å; Y211-S371 VanDerWaalsContact CA-OG 3.26Å; Y211-S371 WeakPolarHBondContact CA-OG 3.48Å; A212-S371 PolarHBondContact N-OG 2.94Å
372I94.4Very high88.2Confident0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-109.3125.3176.7-65.1170.3000107.6M168 A172 V192 N193 I194 L195 L207 L374 L389M168-I372 HydrophobicContact CG-CD1 3.85Å; M168-I372 HydrophobicContact CG-CG1 3.96Å; M168-I372 HydrophobicContact CG-CG2 4.48Å; M168-I372 HydrophobicContact SD-CB 4.28Å; M168-I372 HydrophobicContact SD-CD1 4.19Å; M168-I372 HydrophobicContact SD-CG1 3.98Å; M168-I372 HydrophobicContact SD-CG2 3.42Å; M168-I372 WeakPolarHBondContact SD-CG2 3.08Å; A172-I372 HydrophobicContact CB-CD1 3.85Å; A172-I372 HydrophobicContact CB-CG1 4.36Å; V192-I372 HydrophobicContact CG1-CD1 4.14Å; V192-I372 HydrophobicContact CG1-CG1 4.4Å; N193-I372 PolarHBondContact O-N 3.45Å; I194-I372 WeakPolarHBondContact CA-O 3.26Å; L195-I372 PolarHBondContact N-O 2.82Å; L207-I372 HydrophobicContact CD1-CD1 4.45Å; L207-I372 HydrophobicContact CD1-CG1 3.72Å; I372-L374 HydrophobicContact CG2-CD2 3.75Å; I372-L374 HydrophobicContact CG2-CG 4.19Å; I372-L389 HydrophobicContact CB-CD2 4.13Å; I372-L389 HydrophobicContact CD1-CD1 4.34Å; I372-L389 HydrophobicContact CD1-CD2 3.69Å; I372-L389 HydrophobicContact CD1-CG 4.42Å; I372-L389 HydrophobicContact CG1-CD2 4.5Å; I372-L389 HydrophobicContact CG2-CD2 3.61Å
373I94Very high88.1Confident0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-105.3109.8174.8-56.6-169000107.8L195 A197 S205 M206 I208 A212 I353 L358L195-I373 HydrophobicContact CB-CG1 4.33Å; A197-I373 HydrophobicContact CB-CG2 4.35Å; S205-I373 VanDerWaalsContact CA-O 3.25Å; S205-I373 WeakPolarHBondContact CA-O 3.46Å; S205-I373 WeakPolarHBondContact CB-O 3.4Å; M206-I373 HydrophobicContact CE-CB 4.22Å; M206-I373 HydrophobicContact CE-CD1 3.62Å; M206-I373 HydrophobicContact CE-CG1 4.36Å; M206-I373 HydrophobicContact CE-CG2 4.35Å; M206-I373 HydrophobicContact CG-CB 4Å; M206-I373 PolarHBondContact N-O 3.22Å; M206-I373 PolarHBondContact O-N 2.97Å; I208-I373 HydrophobicContact CD1-CD1 3.37Å; I208-I373 HydrophobicContact CD1-CG1 3.97Å; I208-I373 HydrophobicContact CG1-CD1 4.44Å; A212-I373 HydrophobicContact CB-CD1 4.27Å; I353-I373 HydrophobicContact CD1-CD1 3.55Å; I353-I373 HydrophobicContact CG2-CG2 4.27Å; L358-I373 HydrophobicContact CD1-CD1 3.64Å
374L94Very high88.2Confident0 Ų042.4 Ų42.40%023%0.229CC..EExtended strand (participates in β ladder)trans-85.2130.5179.4-63.7-179.9000110.4F165 I194 L195 A197 I372 V382 M385 E386 L389F165-L374 HydrophobicContact CE1-CD2 3.77Å; I194-L374 HydrophobicContact CG2-CD1 3.53Å; I194-L374 HydrophobicContact CG2-CG 3.9Å; L195-L374 PolarHBondContact O-N 3.15Å; A197-L374 PolarHBondContact N-O 3.28Å; I372-L374 HydrophobicContact CG2-CD2 3.75Å; I372-L374 HydrophobicContact CG2-CG 4.19Å; L374-V382 HydrophobicContact CB-CG1 4.01Å; L374-M385 HydrophobicContact CD1-CB 4.03Å; L374-M385 HydrophobicContact CD2-CE 4.3Å; L374-E386 VanDerWaalsContact CD1-CA 3.42Å; L374-E386 HydrophobicContact CD1-CB 3.9Å; L374-L389 HydrophobicContact CD1-CD2 4.32Å; L374-L389 HydrophobicContact CD2-CD2 3.91Å; L374-L389 HydrophobicContact CG-CD2 4.42Å
375R91.3Very high88.5Confident18 Ų1841.5 Ų41.57%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-113.4146.3175-66.4-159.4-179.3-165.95.4110.4A197 G199 S201 M202 S205 I353 M385A197-R375 WeakPolarHBondContact O-CA 3.49Å; G199-R375 WeakPolarHBondContact O-CB 3.34Å; S201-R375 WeakPolarHBondContact O-CB 3.33Å; M202-R375 VanDerWaalsContact CA-O 3.29Å; M202-R375 WeakPolarHBondContact CA-O 3.36Å; S205-R375 PolarHBondContact OG-N 3.07Å; I353-R375 VanDerWaalsContact CG2-NH2 3.33Å; R375-M385 VanDerWaalsContact O-CE 3.31Å; R375-M385 WeakPolarHBondContact O-CE 3.31Å; R375-M385 VanDerWaalsContact O-SD 3.41Å
376G90.4Very high89.1Confident1 Ų137.5 Ų37.51%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-172.6170.5-177.300000112.3H198 G199H198-G376 WeakPolarHBondContact CA-O 3.48Å; G199-G376 PolarHBondContact N-O 3.23Å
377A89.7Confident89.5Confident89 Ų8937 Ų3774%0.73620%0.196SC*.SBendtrans-67.8-38.4-17200000113.6
378N89.7Confident90Very high75 Ų7533.2 Ų33.240%0.40118%0.178SC..SBendtrans-150.6169-179.563.110.7000110.5F380 Y381 V382N378-F380 PolarHBondContact O-N 2.81Å; N378-Y381 PolarHBondContact O-N 2.95Å; N378-Y381 WeakPolarHBondContact OD1-CB 3.32Å; N378-Y381 PolarHBondContact OD1-N 3Å; N378-V382 WeakPolarHBondContact O-CG2 3.37Å; N378-V382 PolarHBondContact O-N 3.24Å; N378-V382 VanDerWaalsContact O-N 3.09Å
379D89.4Confident90.6Very high86 Ų8629.6 Ų29.646%0.4616%0.155SC..Hα-helixtrans-62.8-39.5-176.1-62.6-31.5000112.4H198 Y381 V382 D383H198-D379 IonicContact CE1-OD1 3.98Å; H198-D379 IonicContact CG-OD1 2.64Å; H198-D379 IonicContact ND1-OD1 2.66Å; H198-D379 PolarHBondContact ND1-OD1 3.19Å; H198-D379 IonicContact ND1-OD2 3.59Å; D379-Y381 VanDerWaalsContact C-N 3.28Å; D379-Y381 PolarHBondContact O-N 3.23Å; D379-V382 PolarHBondContact O-N 2.87Å; D379-V382 VanDerWaalsContact O-N 3.15Å; D379-D383 WeakPolarHBondContact O-CB 3.33Å; D379-D383 VanDerWaalsContact O-CG 3.26Å; D379-D383 PolarHBondContact O-N 3.03Å
380F87.8Confident90.9Very high93 Ų9332.9 Ų32.941%0.40817%0.169SC..Hα-helixtrans-56.3-41.7176.3-56.2-61.3000112.8V49 N378 E384V49-F380 HydrophobicContact CB-CD1 4.46Å; V49-F380 HydrophobicContact CB-CE1 4.11Å; V49-F380 HydrophobicContact CB-CZ 4.36Å; V49-F380 WeakPolarHBondContact O-CD1 3.36Å; V49-F380 WeakPolarHBondContact O-CE1 3.5Å; N378-F380 PolarHBondContact O-N 2.81Å; F380-E384 PolarHBondContact O-N 2.88Å
381Y87.9Confident90.9Very high57 Ų5733.1 Ų33.122%0.22417%0.17CC..Hα-helixtrans-70.7-44.1178.5-164.5-94.2000110.8L157 M202 N378 D379 D383 E384 M385L157-Y381 HydrophobicContact CB-CE2 4.09Å; L157-Y381 HydrophobicContact CD1-CD2 3.82Å; L157-Y381 HydrophobicContact CD1-CE2 3.76Å; L157-Y381 HydrophobicContact CD2-CE2 4.22Å; L157-Y381 HydrophobicContact CG-CE2 4.26Å; M202-Y381 HydrophobicContact SD-CE1 4.22Å; M202-Y381 PolarHBondContact SD-OH 3.19Å; M202-Y381 VanDerWaalsContact SD-OH 3.4Å; N378-Y381 PolarHBondContact O-N 2.95Å; N378-Y381 WeakPolarHBondContact OD1-CB 3.32Å; N378-Y381 PolarHBondContact OD1-N 3Å; D379-Y381 VanDerWaalsContact C-N 3.28Å; D379-Y381 PolarHBondContact O-N 3.23Å; Y381-D383 VanDerWaalsContact C-N 3.32Å; Y381-D383 PolarHBondContact O-N 3.36Å; Y381-E384 PolarHBondContact O-N 3.26Å; Y381-M385 HydrophobicContact CD1-CG 3.98Å; Y381-M385 HydrophobicContact CD1-SD 3.48Å; Y381-M385 WeakPolarHBondContact CD1-SD 3.43Å; Y381-M385 HydrophobicContact CE1-CG 3.98Å; Y381-M385 HydrophobicContact CE1-SD 3.53Å; Y381-M385 VanDerWaalsContact CE1-SD 3.53Å; Y381-M385 VanDerWaalsContact O-CG 3.25Å; Y381-M385 WeakPolarHBondContact O-CG 3.49Å; Y381-M385 PolarHBondContact O-N 2.96Å
382V91.3Very high90.9Very high1 Ų133.1 Ų33.11%0.00617%0.17CC..Hα-helixtrans-66.5-34.5-180-179.50000111.9K196 L374 N378 D379 M385 E386K196-V382 HydrophobicContact CB-CG1 3.52Å; K196-V382 HydrophobicContact CD-CG1 3.91Å; K196-V382 HydrophobicContact CG-CG1 3.58Å; L374-V382 HydrophobicContact CB-CG1 4.01Å; N378-V382 WeakPolarHBondContact O-CG2 3.37Å; N378-V382 PolarHBondContact O-N 3.24Å; N378-V382 VanDerWaalsContact O-N 3.09Å; D379-V382 PolarHBondContact O-N 2.87Å; D379-V382 VanDerWaalsContact O-N 3.15Å; V382-M385 WeakPolarHBondContact O-CB 3.24Å; V382-M385 PolarHBondContact O-N 3.46Å; V382-E386 PolarHBondContact O-N 3.11Å
383D90.3Very high90.8Very high62 Ų6233.1 Ų33.133%0.33217%0.171SC..Hα-helixtrans-62.8-42.9174.2-76.5-14000112K196 D379 Y381 E386 R387K196-D383 WeakPolarHBondContact CD-OD1 3.48Å; K196-D383 WeakPolarHBondContact CE-OD1 3.23Å; K196-D383 IonicContact NZ-OD1 3.86Å; K196-D383 PolarHBondContact NZ-OD1 3.09Å; D379-D383 WeakPolarHBondContact O-CB 3.33Å; D379-D383 VanDerWaalsContact O-CG 3.26Å; D379-D383 PolarHBondContact O-N 3.03Å; Y381-D383 VanDerWaalsContact C-N 3.32Å; Y381-D383 PolarHBondContact O-N 3.36Å; D383-E386 PolarHBondContact O-N 2.99Å; D383-R387 PolarHBondContact O-N 3.36Å; D383-R387 VanDerWaalsContact O-N 3.11Å
384E88.9Confident90.7Very high1 Ų133.9 Ų33.91%0.00518%0.175CC..Hα-helixtrans-71-32.3175.3-17661.6-177.900111.9T52 N53 L157 F380 Y381 R387 S388T52-E384 WeakPolarHBondContact CA-OE1 3.38Å; T52-E384 VanDerWaalsContact CB-OE2 3.23Å; T52-E384 WeakPolarHBondContact CB-OE2 3.33Å; T52-E384 PolarHBondContact OG1-OE1 3.47Å; T52-E384 VanDerWaalsContact OG1-OE1 3.08Å; T52-E384 PolarHBondContact OG1-OE2 3.19Å; N53-E384 PolarHBondContact N-OE1 3.39Å; N53-E384 VanDerWaalsContact N-OE1 3.13Å; L157-E384 HydrophobicContact CD1-CB 3.92Å; L157-E384 HydrophobicContact CD1-CG 3.62Å; L157-E384 HydrophobicContact CG-CG 4.12Å; F380-E384 PolarHBondContact O-N 2.88Å; Y381-E384 PolarHBondContact O-N 3.26Å; E384-R387 PolarHBondContact O-N 2.83Å; E384-R387 IonicContact OE2-CZ 3.76Å; E384-R387 IonicContact OE2-NH1 2.75Å; E384-R387 PolarHBondContact OE2-NH1 2.91Å; E384-S388 VanDerWaalsContact O-CB 3.26Å; E384-S388 WeakPolarHBondContact O-CB 3.25Å; E384-S388 PolarHBondContact O-N 3.27Å; E384-S388 PolarHBondContact O-OG 2.88Å
385M91.4Very high90.7Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-63.2-43.7171.3-67.3174.867.400111.9I158 F165 M202 L374 R375 Y381 V382 S388 L389I158-M385 HydrophobicContact CG2-CB 3.96Å; I158-M385 HydrophobicContact CG2-CE 4.32Å; I158-M385 HydrophobicContact CG2-CG 3.64Å; F165-M385 HydrophobicContact CE1-CE 4.09Å; F165-M385 HydrophobicContact CE2-CE 4.13Å; F165-M385 HydrophobicContact CZ-CE 3.4Å; M202-M385 HydrophobicContact CB-CE 3.68Å; M202-M385 HydrophobicContact CB-SD 4.2Å; L374-M385 HydrophobicContact CD1-CB 4.03Å; L374-M385 HydrophobicContact CD2-CE 4.3Å; R375-M385 VanDerWaalsContact O-CE 3.31Å; R375-M385 WeakPolarHBondContact O-CE 3.31Å; R375-M385 VanDerWaalsContact O-SD 3.41Å; Y381-M385 HydrophobicContact CD1-CG 3.98Å; Y381-M385 HydrophobicContact CD1-SD 3.48Å; Y381-M385 WeakPolarHBondContact CD1-SD 3.43Å; Y381-M385 HydrophobicContact CE1-CG 3.98Å; Y381-M385 HydrophobicContact CE1-SD 3.53Å; Y381-M385 VanDerWaalsContact CE1-SD 3.53Å; Y381-M385 VanDerWaalsContact O-CG 3.25Å; Y381-M385 WeakPolarHBondContact O-CG 3.49Å; Y381-M385 PolarHBondContact O-N 2.96Å; V382-M385 WeakPolarHBondContact O-CB 3.24Å; V382-M385 PolarHBondContact O-N 3.46Å; M385-S388 PolarHBondContact O-N 3.05Å; M385-L389 VanDerWaalsContact O-CB 3.29Å; M385-L389 WeakPolarHBondContact O-CB 3.45Å; M385-L389 PolarHBondContact O-N 3.46Å
386E91.9Very high90.7Very high61 Ų6133.1 Ų33.129%0.28517%0.172SC..Hα-helixtrans-57.8-49.7176.2176.7-176.9-16900110.5I194 K196 L374 V382 D383 L389 H390I194-E386 HydrophobicContact CB-CG 4.42Å; I194-E386 HydrophobicContact CG2-CB 4.34Å; I194-E386 HydrophobicContact CG2-CG 3.93Å; K196-E386 HydrophobicContact CD-CB 4.38Å; K196-E386 WeakPolarHBondContact CD-OE2 3.19Å; K196-E386 WeakPolarHBondContact CE-OE2 3.48Å; K196-E386 IonicContact NZ-OE2 2.74Å; K196-E386 PolarHBondContact NZ-OE2 3.47Å; L374-E386 VanDerWaalsContact CD1-CA 3.42Å; L374-E386 HydrophobicContact CD1-CB 3.9Å; V382-E386 PolarHBondContact O-N 3.11Å; D383-E386 PolarHBondContact O-N 2.99Å; E386-L389 PolarHBondContact O-N 3.25Å; E386-H390 WeakPolarHBondContact O-CB 3.42Å; E386-H390 PolarHBondContact O-N 2.84Å
387R88.9Confident90.8Very high68 Ų6834.8 Ų34.826%0.25718%0.179SC..Hα-helixtrans-59.2-49.8177.5-173179.5-68.4127.2-1.2111.3T52 T57 D383 E384 L389 H390 D391T52-R387 PolarHBondContact OG1-NH1 2.64Å; T57-R387 WeakPolarHBondContact OG1-CD 2.83Å; T57-R387 PolarHBondContact OG1-NE 2.95Å; D383-R387 PolarHBondContact O-N 3.36Å; D383-R387 VanDerWaalsContact O-N 3.11Å; E384-R387 PolarHBondContact O-N 2.83Å; E384-R387 IonicContact OE2-CZ 3.76Å; E384-R387 IonicContact OE2-NH1 2.75Å; E384-R387 PolarHBondContact OE2-NH1 2.91Å; R387-L389 VanDerWaalsContact C-N 3.31Å; R387-L389 PolarHBondContact O-N 3.4Å; R387-H390 WeakPolarHBondContact O-CB 3.41Å; R387-H390 PolarHBondContact O-N 3.22Å; R387-D391 VanDerWaalsContact O-CG 3.25Å; R387-D391 PolarHBondContact O-N 3.23Å
388S90.4Very high90.9Very high0 Ų032.7 Ų32.70%015%0.152CC..Hα-helixtrans-60-41.2-179.2-59.20000112.9K156 E384 M385 A392K156-S388 WeakPolarHBondContact CB-OG 3.45Å; K156-S388 VanDerWaalsContact CD-CB 3.48Å; K156-S388 VanDerWaalsContact CD-OG 3.31Å; K156-S388 WeakPolarHBondContact CD-OG 3.22Å; E384-S388 VanDerWaalsContact O-CB 3.26Å; E384-S388 WeakPolarHBondContact O-CB 3.25Å; E384-S388 PolarHBondContact O-N 3.27Å; E384-S388 PolarHBondContact O-OG 2.88Å; M385-S388 PolarHBondContact O-N 3.05Å; S388-A392 PolarHBondContact O-N 3.35Å
389L92.4Very high91Very high1 Ų129.1 Ų29.11%0.00513%0.133CC..Hα-helixtrans-69.1-42.5177178.763.8000111.5M153 A169 I194 I372 L374 M385 E386 R387 D391 A392 L393M153-L389 HydrophobicContact CE-CD1 4.02Å; A169-L389 HydrophobicContact CB-CD1 3.97Å; I194-L389 HydrophobicContact CD1-CD2 4.03Å; I194-L389 HydrophobicContact CD1-CG 4.31Å; I194-L389 HydrophobicContact CG1-CD2 4.34Å; I194-L389 HydrophobicContact CG2-CD2 4.42Å; I372-L389 HydrophobicContact CB-CD2 4.13Å; I372-L389 HydrophobicContact CD1-CD1 4.34Å; I372-L389 HydrophobicContact CD1-CD2 3.69Å; I372-L389 HydrophobicContact CD1-CG 4.42Å; I372-L389 HydrophobicContact CG1-CD2 4.5Å; I372-L389 HydrophobicContact CG2-CD2 3.61Å; L374-L389 HydrophobicContact CD1-CD2 4.32Å; L374-L389 HydrophobicContact CD2-CD2 3.91Å; L374-L389 HydrophobicContact CG-CD2 4.42Å; M385-L389 VanDerWaalsContact O-CB 3.29Å; M385-L389 WeakPolarHBondContact O-CB 3.45Å; M385-L389 PolarHBondContact O-N 3.46Å; E386-L389 PolarHBondContact O-N 3.25Å; R387-L389 VanDerWaalsContact C-N 3.31Å; R387-L389 PolarHBondContact O-N 3.4Å; L389-D391 VanDerWaalsContact C-N 3.31Å; L389-D391 PolarHBondContact O-N 3.29Å; L389-A392 PolarHBondContact O-N 3.49Å; L389-L393 HydrophobicContact CD1-CG 4.48Å; L389-L393 HydrophobicContact CG-CD1 4.18Å; L389-L393 HydrophobicContact CG-CG 4.47Å; L389-L393 VanDerWaalsContact O-CG 3.29Å; L389-L393 WeakPolarHBondContact O-CG 3.16Å; L389-L393 PolarHBondContact O-N 3.5Å
390H91.4Very high91Very high76 Ų7626.2 Ų26.235%0.35212%0.117SC..Hα-helixtrans-58-43.6177.1177.4-94.8000111.9E386 R387 L393 L394E386-H390 WeakPolarHBondContact O-CB 3.42Å; E386-H390 PolarHBondContact O-N 2.84Å; R387-H390 WeakPolarHBondContact O-CB 3.41Å; R387-H390 PolarHBondContact O-N 3.22Å; H390-L393 WeakPolarHBondContact O-CB 3.21Å; H390-L393 PolarHBondContact O-N 3.22Å; H390-L394 WeakPolarHBondContact CE1-CD1 3.16Å; H390-L394 PolarHBondContact O-N 2.72Å
391D90.7Very high91Very high6 Ų625.7 Ų25.73%0.03212%0.116CC..Hα-helixtrans-64.5-43177-61.5-10.6000111.3G84 K156 R387 L389 L393 L394 V395G84-D391 WeakPolarHBondContact O-CB 3.32Å; K156-D391 VanDerWaalsContact NZ-CG 3.31Å; K156-D391 IonicContact NZ-OD2 2.91Å; K156-D391 PolarHBondContact NZ-OD2 2.96Å; R387-D391 VanDerWaalsContact O-CG 3.25Å; R387-D391 PolarHBondContact O-N 3.23Å; L389-D391 VanDerWaalsContact C-N 3.31Å; L389-D391 PolarHBondContact O-N 3.29Å; D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 PolarHBondContact O-N 3.04Å; D391-L394 WeakPolarHBondContact O-CB 3.25Å; D391-L394 PolarHBondContact O-N 3.46Å; D391-L394 VanDerWaalsContact O-N 3.14Å; D391-V395 WeakPolarHBondContact O-CG2 3.34Å; D391-V395 PolarHBondContact O-N 3.31Å
392A91.9Very high91Very high0 Ų024.7 Ų24.70%012%0.118CC..Hα-helixtrans-62.7-38.8175.800000112.1A152 M153 S388 L389 L394 V395 V396A152-A392 HydrophobicContact CB-CB 4.37Å; M153-A392 HydrophobicContact CE-CB 3.26Å; M153-A392 HydrophobicContact CG-CB 3.84Å; M153-A392 HydrophobicContact SD-CB 4.41Å; S388-A392 PolarHBondContact O-N 3.35Å; L389-A392 PolarHBondContact O-N 3.49Å; A392-L394 VanDerWaalsContact C-N 3.34Å; A392-V395 PolarHBondContact O-N 2.87Å; A392-V396 VanDerWaalsContact O-CG2 3.3Å; A392-V396 WeakPolarHBondContact O-CG2 3.36Å; A392-V396 PolarHBondContact O-N 3.02Å
393L93.2Very high90.9Very high1 Ų129.6 Ų29.61%0.00514%0.139CC..Hα-helixtrans-62.5-40.9173.5-69167.7000111.3A169 L173 V192 I194 L389 H390 D391 K397A169-L393 HydrophobicContact CB-CD2 3.84Å; A169-L393 HydrophobicContact CB-CG 4.39Å; A169-L393 WeakPolarHBondContact O-CD2 3.48Å; L173-L393 HydrophobicContact CD1-CB 4.24Å; L173-L393 HydrophobicContact CD1-CD2 3.74Å; L173-L393 VanDerWaalsContact CD1-O 3.3Å; L173-L393 WeakPolarHBondContact CD1-O 3.43Å; L173-L393 HydrophobicContact CD2-CD2 4.4Å; L173-L393 HydrophobicContact CG-CD2 3.66Å; V192-L393 HydrophobicContact CG1-CD1 4.29Å; I194-L393 HydrophobicContact CD1-CD1 4.03Å; L389-L393 HydrophobicContact CD1-CG 4.48Å; L389-L393 HydrophobicContact CG-CD1 4.18Å; L389-L393 HydrophobicContact CG-CG 4.47Å; L389-L393 VanDerWaalsContact O-CG 3.29Å; L389-L393 WeakPolarHBondContact O-CG 3.16Å; L389-L393 PolarHBondContact O-N 3.5Å; H390-L393 WeakPolarHBondContact O-CB 3.21Å; H390-L393 PolarHBondContact O-N 3.22Å; D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 PolarHBondContact O-N 3.04Å; L393-K397 VanDerWaalsContact O-CB 3.32Å; L393-K397 WeakPolarHBondContact O-CB 2.78Å; L393-K397 PolarHBondContact O-N 3.4Å
394L92.2Very high91Very high16 Ų1632.5 Ų32.58%0.08415%0.145CC..Hα-helixtrans-61.2-48.1174.6-81.2164.8000111.6I189 H390 D391 A392 V396 K397 R398I189-L394 HydrophobicContact CD1-CB 4.44Å; I189-L394 HydrophobicContact CD1-CD2 3.18Å; I189-L394 HydrophobicContact CD1-CG 3.68Å; H390-L394 WeakPolarHBondContact CE1-CD1 3.16Å; H390-L394 PolarHBondContact O-N 2.72Å; D391-L394 WeakPolarHBondContact O-CB 3.25Å; D391-L394 PolarHBondContact O-N 3.46Å; D391-L394 VanDerWaalsContact O-N 3.14Å; A392-L394 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.22Å; L394-K397 WeakPolarHBondContact O-CB 2.98Å; L394-K397 PolarHBondContact O-N 3.08Å; L394-R398 WeakPolarHBondContact O-CG 3.39Å; L394-R398 PolarHBondContact O-N 3.41Å
395V92.8Very high91.2Very high2 Ų232.5 Ų32.51%0.01215%0.145CC..Hα-helixtrans-58.6-50.1178.6174.20000111D85 V148 A152 D391 A392 K397 R398 V399 P503D85-V395 HydrophobicContact CB-CG2 3.38Å; V148-V395 HydrophobicContact CG1-CG1 3.36Å; A152-V395 HydrophobicContact CB-CB 4.09Å; A152-V395 HydrophobicContact CB-CG1 4.13Å; A152-V395 HydrophobicContact CB-CG2 3.83Å; D391-V395 WeakPolarHBondContact O-CG2 3.34Å; D391-V395 PolarHBondContact O-N 3.31Å; A392-V395 PolarHBondContact O-N 2.87Å; V395-K397 VanDerWaalsContact C-N 3.33Å; V395-K397 PolarHBondContact O-N 3.4Å; V395-R398 PolarHBondContact O-N 3.45Å; V395-R398 VanDerWaalsContact O-N 3.14Å; V395-V399 WeakPolarHBondContact O-CG2 3.29Å; V395-V399 PolarHBondContact O-N 3.18Å; V395-P503 HydrophobicContact CB-CG 4.38Å; V395-P503 HydrophobicContact CG1-CG 3.45Å; V395-P503 VanDerWaalsContact CG1-CG 3.45Å
396V92.8Very high91.4Very high0 Ų032.5 Ų32.50%015%0.145CC..Hα-helixtrans-62.2-42.1179.6174.30000110.9A149 V170 L173 A392 L394 R398 V399 L400A149-V396 HydrophobicContact CB-CG2 3.62Å; V170-V396 HydrophobicContact CG2-CG1 4.3Å; V170-V396 HydrophobicContact CG2-CG2 4.32Å; L173-V396 HydrophobicContact CD1-CB 3.53Å; L173-V396 HydrophobicContact CD1-CG1 3.48Å; L173-V396 VanDerWaalsContact CD1-CG1 3.48Å; A392-V396 VanDerWaalsContact O-CG2 3.3Å; A392-V396 WeakPolarHBondContact O-CG2 3.36Å; A392-V396 PolarHBondContact O-N 3.02Å; L394-V396 PolarHBondContact O-N 3.22Å; V396-R398 VanDerWaalsContact C-N 3.34Å; V396-R398 PolarHBondContact O-N 3.36Å; V396-V399 PolarHBondContact O-N 3.03Å; V396-V399 VanDerWaalsContact O-N 3.16Å; V396-L400 HydrophobicContact CG1-CD1 4.01Å; V396-L400 HydrophobicContact CG1-CG 4.39Å; V396-L400 WeakPolarHBondContact O-CG 3.48Å; V396-L400 PolarHBondContact O-N 2.82Å
397K92Very high91.5Very high36 Ų3629.6 Ų29.616%0.15713%0.131CC..Hα-helixtrans-55.3-47.9172.9168.2-178.1178.6-178.70111.5Y187 I189 L393 L394 V395 V399 L400 E401Y187-K397 WeakPolarHBondContact O-CD 3.37Å; Y187-K397 WeakPolarHBondContact O-CE 3.45Å; I189-K397 HydrophobicContact CD1-CB 4.33Å; I189-K397 HydrophobicContact CD1-CD 3.37Å; I189-K397 HydrophobicContact CD1-CG 4.48Å; I189-K397 HydrophobicContact CG1-CD 3.77Å; L393-K397 VanDerWaalsContact O-CB 3.32Å; L393-K397 WeakPolarHBondContact O-CB 2.78Å; L393-K397 PolarHBondContact O-N 3.4Å; L394-K397 WeakPolarHBondContact O-CB 2.98Å; L394-K397 PolarHBondContact O-N 3.08Å; V395-K397 VanDerWaalsContact C-N 3.33Å; V395-K397 PolarHBondContact O-N 3.4Å; K397-V399 PolarHBondContact O-N 3.34Å; K397-L400 PolarHBondContact O-N 2.95Å; K397-E401 WeakPolarHBondContact CE-OE1 3.5Å; K397-E401 HydrophobicContact CG-CG 4.33Å; K397-E401 IonicContact NZ-OE1 3.8Å; K397-E401 WeakPolarHBondContact O-CG 3.5Å; K397-E401 PolarHBondContact O-N 3.32Å
398R90.9Very high91.7Very high44 Ų4426.3 Ų26.317%0.16612%0.119CC..Hα-helixtrans-62.5-34.4179.8-64.8-46.5-176.4-177.42.8112.1E82 L394 V395 V396 E401 S402 P503E82-R398 PolarHBondContact O-NE 3.44Å; E82-R398 PolarHBondContact O-NH2 3.14Å; L394-R398 WeakPolarHBondContact O-CG 3.39Å; L394-R398 PolarHBondContact O-N 3.41Å; V395-R398 PolarHBondContact O-N 3.45Å; V395-R398 VanDerWaalsContact O-N 3.14Å; V396-R398 VanDerWaalsContact C-N 3.34Å; V396-R398 PolarHBondContact O-N 3.36Å; R398-E401 IonicContact NH1-OE2 2.65Å; R398-E401 PolarHBondContact NH1-OE2 3.17Å; R398-S402 WeakPolarHBondContact O-CB 3.43Å; R398-S402 PolarHBondContact O-N 3.47Å; R398-S402 PolarHBondContact O-OG 3.14Å; R398-P503 HydrophobicContact CB-CB 4.3Å
399V91.9Very high91.9Very high0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-68.9-42.9174.5176.10000111.8V137 L145 V148 V395 V396 K397 S402 K403 I405 P503V137-V399 HydrophobicContact CB-CG1 4.1Å; V137-V399 HydrophobicContact CG1-CG1 3.82Å; V137-V399 HydrophobicContact CG2-CG1 3.33Å; L145-V399 HydrophobicContact CD2-CB 4.34Å; L145-V399 HydrophobicContact CD2-CG1 3.7Å; V148-V399 HydrophobicContact CG1-CG2 3.74Å; V148-V399 HydrophobicContact CG2-CG2 4.28Å; V395-V399 WeakPolarHBondContact O-CG2 3.29Å; V395-V399 PolarHBondContact O-N 3.18Å; V396-V399 PolarHBondContact O-N 3.03Å; V396-V399 VanDerWaalsContact O-N 3.16Å; K397-V399 PolarHBondContact O-N 3.34Å; V399-S402 PolarHBondContact O-N 3.3Å; V399-K403 VanDerWaalsContact O-CA 3.23Å; V399-K403 WeakPolarHBondContact O-CA 3.17Å; V399-K403 PolarHBondContact O-N 3.44Å; V399-I405 HydrophobicContact CB-CG2 4.49Å; V399-I405 HydrophobicContact CG1-CG2 3.77Å; V399-I405 HydrophobicContact CG2-CG2 3.83Å; V399-P503 HydrophobicContact CG2-CB 3.8Å; V399-P503 HydrophobicContact CG2-CG 3.72Å
400L90.3Very high92Very high26 Ų2627.1 Ų27.114%0.13613%0.126CC..Hα-helixtrans-65.1-39.6177.6-69.6169.7000112.3L145 L173 Y187 V396 K397L145-L400 HydrophobicContact CD1-CD2 3.72Å; L145-L400 HydrophobicContact CD2-CD2 3.86Å; L145-L400 HydrophobicContact CD2-CG 4.16Å; L145-L400 HydrophobicContact CG-CD2 4.47Å; L173-L400 HydrophobicContact CB-CD1 4.49Å; Y187-L400 HydrophobicContact CD1-CD1 4.07Å; Y187-L400 HydrophobicContact CD2-CB 3.89Å; Y187-L400 HydrophobicContact CD2-CD1 4.25Å; Y187-L400 HydrophobicContact CE1-CD1 3.82Å; Y187-L400 HydrophobicContact CE2-CB 3.43Å; Y187-L400 VanDerWaalsContact CE2-CB 3.43Å; Y187-L400 HydrophobicContact CE2-CD1 4.03Å; Y187-L400 HydrophobicContact CE2-CG 4.28Å; Y187-L400 HydrophobicContact CG-CD1 4.28Å; V396-L400 HydrophobicContact CG1-CD1 4.01Å; V396-L400 HydrophobicContact CG1-CG 4.39Å; V396-L400 WeakPolarHBondContact O-CG 3.48Å; V396-L400 PolarHBondContact O-N 2.82Å; K397-L400 PolarHBondContact O-N 2.95Å
401E88.3Confident92.1Very high81 Ų8123.5 Ų23.538%0.37911%0.109SC..Hα-helixtrans-67.8-44177-71.9176.7165.800112.3K397 R398K397-E401 WeakPolarHBondContact CE-OE1 3.5Å; K397-E401 HydrophobicContact CG-CG 4.33Å; K397-E401 IonicContact NZ-OE1 3.8Å; K397-E401 WeakPolarHBondContact O-CG 3.5Å; K397-E401 PolarHBondContact O-N 3.32Å; R398-E401 IonicContact NH1-OE2 2.65Å; R398-E401 PolarHBondContact NH1-OE2 3.17Å
402S87.8Confident92.3Very high37 Ų3723.3 Ų23.326%0.25911%0.108SC..Hα-helixtrans-92.1-21-174.166.40000114.7R398 V399 R404R398-S402 WeakPolarHBondContact O-CB 3.43Å; R398-S402 PolarHBondContact O-N 3.47Å; R398-S402 PolarHBondContact O-OG 3.14Å; V399-S402 PolarHBondContact O-N 3.3Å; S402-R404 PolarHBondContact O-N 3.32Å
403K89.2Confident92.5Very high103 Ų10323.9 Ų23.945%0.44811%0.111SC..  trans55.416.3-174.7-57.5178.4176.9-171.10114.6D136 V137 V399D136-K403 WeakPolarHBondContact CA-O 3.27Å; V137-K403 PolarHBondContact N-O 3.05Å; V399-K403 VanDerWaalsContact O-CA 3.23Å; V399-K403 WeakPolarHBondContact O-CA 3.17Å; V399-K403 PolarHBondContact O-N 3.44Å
404R92Very high92.7Very high124 Ų12423.9 Ų23.947%0.46811%0.111SC..EExtended strand (participates in β ladder)trans-129.1131.1-176.1-67.3-174.4-177.8-163.22.9112.2Y135 S402 L504Y135-R404 WeakPolarHBondContact O-CA 3.38Å; S402-R404 PolarHBondContact O-N 3.32Å; R404-L504 HydrophobicContact CB-CB 3.92Å; R404-L504 HydrophobicContact CB-CD2 3.69Å; R404-L504 HydrophobicContact CB-CG 4.46Å; R404-L504 HydrophobicContact CG-CD2 4.28Å; R404-L504 WeakPolarHBondContact O-CB 3.49Å; R404-L504 PolarHBondContact O-N 2.83Å; R404-L504 VanDerWaalsContact O-N 3.13Å
405I93.8Very high92.9Very high0 Ų023.1 Ų23.10%011%0.107CC..EExtended strand (participates in β ladder)trans-121.9163.7175.656.5179.4000110.8A134 Y135 V137 L140 V148 V399 F501 E502A134-I405 CarbonylContact C-O 3.58Å; A134-I405 WeakPolarHBondContact CA-O 3.46Å; Y135-I405 HydrophobicContact CD1-CD1 4.38Å; Y135-I405 HydrophobicContact CD1-CG1 4.49Å; Y135-I405 PolarHBondContact N-O 2.84Å; Y135-I405 PolarHBondContact O-N 3.44Å; V137-I405 HydrophobicContact CG2-CB 4.11Å; V137-I405 HydrophobicContact CG2-CD1 4.1Å; V137-I405 HydrophobicContact CG2-CG1 3.89Å; V137-I405 HydrophobicContact CG2-CG2 3.41Å; V137-I405 VanDerWaalsContact CG2-CG2 3.41Å; L140-I405 HydrophobicContact CD1-CD1 3.5Å; V148-I405 HydrophobicContact CG2-CG2 3.78Å; V399-I405 HydrophobicContact CB-CG2 4.49Å; V399-I405 HydrophobicContact CG1-CG2 3.77Å; V399-I405 HydrophobicContact CG2-CG2 3.83Å; I405-F501 HydrophobicContact CB-CB 4.38Å; I405-F501 HydrophobicContact CD1-CB 4.1Å; I405-F501 HydrophobicContact CD1-CD1 3.73Å; I405-F501 HydrophobicContact CD1-CD2 4.26Å; I405-F501 HydrophobicContact CD1-CE1 4.15Å; I405-F501 HydrophobicContact CD1-CG 3.78Å; I405-F501 HydrophobicContact CG1-CD1 4.29Å; I405-E502 CarbonylContact C-O 3.58Å; I405-E502 VanDerWaalsContact CA-O 3.31Å; I405-E502 WeakPolarHBondContact CA-O 3.24Å
406V94.5Very high93Very high0 Ų023 Ų230%011%0.106CC..EExtended strand (participates in β ladder)trans-133.1156.9177-67.10000109.3I129 M133 F501 E502 L504 K507I129-V406 HydrophobicContact CG2-CG1 3.93Å; M133-V406 HydrophobicContact CB-CG1 4.46Å; V406-F501 WeakPolarHBondContact O-CA 3.38Å; V406-E502 HydrophobicContact CG2-CB 4.2Å; V406-E502 WeakPolarHBondContact CG2-O 3.31Å; V406-E502 PolarHBondContact N-O 2.89Å; V406-E502 PolarHBondContact O-N 3.38Å; V406-L504 HydrophobicContact CG1-CB 4.15Å; V406-L504 HydrophobicContact CG1-CD1 3.55Å; V406-L504 HydrophobicContact CG1-CG 4.46Å; V406-K507 HydrophobicContact CG2-CG 3.68Å
407P94.4Very high93.2Very high0 Ų023 Ų230%011%0.106CC..EExtended strand (participates in β ladder)trans-69.5136.1176.229.1-30.6000110.2M133 A411 W482 C495M133-P407 HydrophobicContact CE-CG 3.57Å; P407-A411 HydrophobicContact CB-CB 3.97Å; P407-A411 HydrophobicContact CG-CB 4.03Å; P407-W482 HydrophobicContact CB-CE3 4Å; P407-W482 HydrophobicContact CG-CE3 3.81Å; P407-W482 HydrophobicContact CG-CZ3 4.11Å; P407-C495 HydrophobicContact CB-CB 3.85Å
408G93.9Very high93.4Very high0 Ų021.6 Ų21.60%010%0.1CC..THydrogen-bonded Turntrans-84.4-143.1175.400000112.6G410 A411 V500 E502G408-G410 PolarHBondContact O-N 2.84Å; G408-A411 VanDerWaalsContact O-CB 3.22Å; G408-A411 WeakPolarHBondContact O-CB 3.48Å; G408-A411 PolarHBondContact O-N 3.44Å; G408-V500 PolarHBondContact N-O 2.97Å; G408-E502 WeakPolarHBondContact CA-OE1 3.3Å
409A93.3Very high93.7Very high15 Ų1522 Ų2212%0.12410%0.103CC..THydrogen-bonded Turntrans52.730.617200000115.5A411 L485 V500A409-A411 PolarHBondContact O-N 2.99Å; A409-L485 WeakPolarHBondContact CB-O 3.32Å; A409-L485 PolarHBondContact O-N 2.93Å; A409-V500 HydrophobicContact CB-CG1 4.24Å
410G93.8Very high93.9Very high2 Ų222 Ų222%0.02110%0.103CC..THydrogen-bonded Turntrans75.44.3-178.600000115.1G408 E413 T414G408-G410 PolarHBondContact O-N 2.84Å; G410-E413 VanDerWaalsContact CA-OE2 3.26Å; G410-E413 WeakPolarHBondContact CA-OE2 3.39Å; G410-T414 WeakPolarHBondContact O-CB 3.34Å; G410-T414 PolarHBondContact O-N 3.05Å; G410-T414 VanDerWaalsContact O-N 3.13Å; G410-T414 PolarHBondContact O-OG1 3.08Å
411A95.1Very high94.1Very high0 Ų023.6 Ų23.60%011%0.109CC..Hα-helixtrans-66-45.1179.900000111.4P407 G408 A409 T414 A415 H468 W483P407-A411 HydrophobicContact CB-CB 3.97Å; P407-A411 HydrophobicContact CG-CB 4.03Å; G408-A411 VanDerWaalsContact O-CB 3.22Å; G408-A411 WeakPolarHBondContact O-CB 3.48Å; G408-A411 PolarHBondContact O-N 3.44Å; A409-A411 PolarHBondContact O-N 2.99Å; A411-T414 PolarHBondContact O-N 3.49Å; A411-A415 WeakPolarHBondContact O-CB 3.49Å; A411-A415 PolarHBondContact O-N 3.39Å; A411-H468 PolarHBondContact O-CE1 3.08Å; A411-H468 VanDerWaalsContact O-CE1 3.26Å; A411-W483 WeakPolarHBondContact CB-O 3.43Å
412C95.2Very high94.4Very high3 Ų323.1 Ų23.12%0.0211%0.109CC..Hα-helixtrans-62.1-46.3-179.9-1660000111.7T414 A415 V416C412-T414 PolarHBondContact O-N 3.05Å; C412-A415 PolarHBondContact O-N 3.44Å; C412-V416 VanDerWaalsContact O-CG2 3.28Å; C412-V416 WeakPolarHBondContact O-CG2 3.48Å; C412-V416 PolarHBondContact O-N 2.65Å
413E96.1Very high94.7Very high12 Ų1223.7 Ų23.76%0.05611%0.106CC..Hα-helixtrans-64.9-40.7-179.5-66.580.5-179.200112G410 S417 M442 I445 K507G410-E413 VanDerWaalsContact CA-OE2 3.26Å; G410-E413 WeakPolarHBondContact CA-OE2 3.39Å; E413-S417 WeakPolarHBondContact O-CB 2.88Å; E413-S417 PolarHBondContact O-N 2.91Å; E413-M442 HydrophobicContact CB-CE 3.92Å; E413-M442 WeakPolarHBondContact CB-O 3.48Å; E413-M442 HydrophobicContact CG-CE 3.8Å; E413-I445 HydrophobicContact CG-CB 4.05Å; E413-I445 HydrophobicContact CG-CG1 4.17Å; E413-I445 HydrophobicContact CG-CG2 4.36Å; E413-K507 WeakPolarHBondContact OE1-CE 3.37Å; E413-K507 IonicContact OE1-NZ 3.35Å; E413-K507 PolarHBondContact OE1-NZ 3.46Å; E413-K507 IonicContact OE2-NZ 3.95Å
414T96.4Very high94.9Very high0 Ų018.9 Ų18.90%09%0.085CC..Hα-helixtrans-71.8-39.4179.1-52.50000111.8G410 A411 C412 V416 S417 I418 L443 L464 R465 H468G410-T414 WeakPolarHBondContact O-CB 3.34Å; G410-T414 PolarHBondContact O-N 3.05Å; G410-T414 VanDerWaalsContact O-N 3.13Å; G410-T414 PolarHBondContact O-OG1 3.08Å; A411-T414 PolarHBondContact O-N 3.49Å; C412-T414 PolarHBondContact O-N 3.05Å; T414-V416 VanDerWaalsContact C-N 3.34Å; T414-V416 PolarHBondContact O-N 2.71Å; T414-S417 WeakPolarHBondContact O-CB 3.39Å; T414-S417 PolarHBondContact O-N 3.41Å; T414-I418 WeakPolarHBondContact O-CG1 3.46Å; T414-I418 PolarHBondContact O-N 2.84Å; T414-I418 VanDerWaalsContact O-N 3.1Å; T414-L443 HydrophobicContact CG2-CD2 4.16Å; T414-L464 HydrophobicContact CG2-CD2 4.22Å; T414-L464 HydrophobicContact CG2-CG 3.92Å; T414-L464 WeakPolarHBondContact OG1-CD2 3.4Å; T414-R465 HydrophobicContact CG2-CB 4.37Å; T414-R465 HydrophobicContact CG2-CG 3.71Å; T414-H468 HydrophobicContact CG2-CB 4.25Å
415A95.8Very high95Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-59.5-46174.700000111.5Y128 M133 A411 C412 Y419 H468 Q472Y128-A415 HydrophobicContact CE1-CB 3.97Å; M133-A415 HydrophobicContact CE-CB 3.71Å; M133-A415 HydrophobicContact SD-CB 3.9Å; A411-A415 WeakPolarHBondContact O-CB 3.49Å; A411-A415 PolarHBondContact O-N 3.39Å; C412-A415 PolarHBondContact O-N 3.44Å; A415-Y419 WeakPolarHBondContact O-CB 3.36Å; A415-Y419 PolarHBondContact O-N 3.19Å; A415-H468 WeakPolarHBondContact CB-ND1 3.36Å; A415-Q472 PolarHBondContact O-NE2 3.02Å
416V96.1Very high94.9Very high0 Ų023.9 Ų23.90%013%0.125CC..Hα-helixtrans-65.2-40.8177.3170.80000111.4A125 Y128 I129 C412 T414 Y419 L420 M442A125-V416 HydrophobicContact CB-CG1 3.56Å; Y128-V416 HydrophobicContact CD1-CG2 4.09Å; I129-V416 HydrophobicContact CD1-CG2 3.88Å; I129-V416 HydrophobicContact CG1-CG2 3.6Å; C412-V416 VanDerWaalsContact O-CG2 3.28Å; C412-V416 WeakPolarHBondContact O-CG2 3.48Å; C412-V416 PolarHBondContact O-N 2.65Å; T414-V416 VanDerWaalsContact C-N 3.34Å; T414-V416 PolarHBondContact O-N 2.71Å; V416-Y419 PolarHBondContact O-N 2.95Å; V416-L420 HydrophobicContact CG1-CD1 3.73Å; V416-L420 HydrophobicContact CG1-CG 4.08Å; V416-L420 WeakPolarHBondContact O-CB 3.34Å; V416-L420 VanDerWaalsContact O-CG 3.31Å; V416-L420 WeakPolarHBondContact O-CG 3.41Å; V416-L420 PolarHBondContact O-N 3.03Å; V416-M442 HydrophobicContact CB-CE 4.3Å; V416-M442 HydrophobicContact CG1-CE 4.17Å; V416-M442 HydrophobicContact CG1-CG 4.22Å
417S96.6Very high94.7Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-55.9-52.8176.4175.60000111.5E413 T414 Y419 L420 E421 A439 L443E413-S417 WeakPolarHBondContact O-CB 2.88Å; E413-S417 PolarHBondContact O-N 2.91Å; T414-S417 WeakPolarHBondContact O-CB 3.39Å; T414-S417 PolarHBondContact O-N 3.41Å; S417-Y419 PolarHBondContact O-N 3.48Å; S417-L420 PolarHBondContact O-N 2.66Å; S417-E421 WeakPolarHBondContact O-CG 3.26Å; S417-E421 PolarHBondContact O-N 3.41Å; S417-A439 VanDerWaalsContact CB-O 3.24Å; S417-A439 WeakPolarHBondContact CB-O 3.37Å; S417-A439 WeakPolarHBondContact O-CB 3.29Å; S417-A439 PolarHBondContact OG-O 2.89Å; S417-L443 WeakPolarHBondContact OG-CG 3.33Å
418I96.2Very high94.2Very high6 Ų632 Ų323%0.03118%0.178CC..Hα-helixtrans-63.5-42.1179.1-62.3-58.4000112T414 L420 E421 N422 R465 H468 N469T414-I418 WeakPolarHBondContact O-CG1 3.46Å; T414-I418 PolarHBondContact O-N 2.84Å; T414-I418 VanDerWaalsContact O-N 3.1Å; I418-L420 PolarHBondContact O-N 2.74Å; I418-E421 PolarHBondContact O-N 2.95Å; I418-N422 PolarHBondContact O-N 2.75Å; I418-N422 VanDerWaalsContact O-N 3.1Å; I418-N422 PolarHBondContact O-ND2 3.21Å; I418-R465 HydrophobicContact CD1-CB 4.28Å; I418-R465 HydrophobicContact CD1-CG 4.35Å; I418-H468 HydrophobicContact CG1-CB 4.25Å; I418-N469 HydrophobicContact CD1-CB 4.46Å; I418-N469 HydrophobicContact CG2-CB 4.15Å
419Y96.1Very high93.8Very high54 Ų5434.7 Ų34.721%0.21220%0.197CC..Hα-helixtrans-61-45.4178.8171.7-105.1000111.6E124 Y128 A415 V416 S417 N422 Y423E124-Y419 HydrophobicContact CB-CE1 4.17Å; E124-Y419 PolarHBondContact OE2-OH 3.05Å; Y128-Y419 HydrophobicContact CD1-CG 4.43Å; Y128-Y419 AromaticContact CD2-CD1 3.88Å; Y128-Y419 HydrophobicContact CD2-CD1 3.88Å; Y128-Y419 AromaticContact CD2-CD2 3.49Å; Y128-Y419 HydrophobicContact CD2-CD2 3.49Å; Y128-Y419 VanDerWaalsContact CD2-CD2 3.49Å; Y128-Y419 HydrophobicContact CD2-CE1 4.15Å; Y128-Y419 AromaticContact CD2-CE2 3.8Å; Y128-Y419 HydrophobicContact CD2-CE2 3.8Å; Y128-Y419 AromaticContact CD2-CG 3.53Å; Y128-Y419 HydrophobicContact CD2-CG 3.53Å; Y128-Y419 AromaticContact CE2-CD2 3.74Å; Y128-Y419 HydrophobicContact CE2-CD2 3.74Å; Y128-Y419 HydrophobicContact CE2-CE2 4.36Å; Y128-Y419 AromaticContact CE2-CG 3.9Å; Y128-Y419 HydrophobicContact CE2-CG 3.9Å; Y128-Y419 AromaticContact CG-CD1 3.79Å; Y128-Y419 HydrophobicContact CG-CD1 3.79Å; Y128-Y419 HydrophobicContact CG-CD2 4.25Å; Y128-Y419 HydrophobicContact CG-CE1 4.16Å; Y128-Y419 AromaticContact CG-CG 3.83Å; Y128-Y419 HydrophobicContact CG-CG 3.83Å; A415-Y419 WeakPolarHBondContact O-CB 3.36Å; A415-Y419 PolarHBondContact O-N 3.19Å; V416-Y419 PolarHBondContact O-N 2.95Å; S417-Y419 PolarHBondContact O-N 3.48Å; Y419-N422 PolarHBondContact O-N 2.81Å; Y419-Y423 WeakPolarHBondContact O-CB 3.48Å; Y419-Y423 PolarHBondContact O-N 3.15Å
420L96.5Very high93.5Very high0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-70.4-33.7179.1-70.7-179.5000112.9A121 E124 A125 V416 S417 I418 N422 Y423 A424 I435 F438 A439A121-L420 HydrophobicContact CB-CD1 4.2Å; A121-L420 HydrophobicContact CB-CD2 4.36Å; E124-L420 HydrophobicContact CB-CD2 4.18Å; A125-L420 HydrophobicContact CB-CD1 4.28Å; V416-L420 HydrophobicContact CG1-CD1 3.73Å; V416-L420 HydrophobicContact CG1-CG 4.08Å; V416-L420 WeakPolarHBondContact O-CB 3.34Å; V416-L420 VanDerWaalsContact O-CG 3.31Å; V416-L420 WeakPolarHBondContact O-CG 3.41Å; V416-L420 PolarHBondContact O-N 3.03Å; S417-L420 PolarHBondContact O-N 2.66Å; I418-L420 PolarHBondContact O-N 2.74Å; L420-N422 VanDerWaalsContact C-N 3.35Å; L420-Y423 PolarHBondContact O-N 3.21Å; L420-A424 VanDerWaalsContact O-CB 3.32Å; L420-A424 WeakPolarHBondContact O-CB 3.42Å; L420-A424 PolarHBondContact O-N 3.19Å; L420-I435 HydrophobicContact CB-CG2 4.2Å; L420-I435 HydrophobicContact CD2-CG2 4.35Å; L420-F438 HydrophobicContact CD1-CD1 3.48Å; L420-F438 VanDerWaalsContact CD1-CD1 3.48Å; L420-F438 HydrophobicContact CD1-CE1 3.84Å; L420-A439 HydrophobicContact CB-CB 3.66Å
421E95.2Very high93.3Very high59 Ų5945 Ų4528%0.27623%0.234SC..Hα-helixtrans-59.4-46.4172-78.3178.317200110.7S417 I418 A424 A439 R465S417-E421 WeakPolarHBondContact O-CG 3.26Å; S417-E421 PolarHBondContact O-N 3.41Å; I418-E421 PolarHBondContact O-N 2.95Å; E421-A424 PolarHBondContact O-N 3.34Å; E421-A439 HydrophobicContact CG-CB 3.84Å; E421-R465 VanDerWaalsContact CD-NH2 3.34Å; E421-R465 IonicContact OE1-CZ 2.61Å; E421-R465 IonicContact OE1-NH2 3.42Å; E421-R465 PolarHBondContact OE1-NH2 3.28Å; E421-R465 IonicContact OE2-NH2 3.18Å; E421-R465 PolarHBondContact OE2-NH2 3.07Å
422N94.1Very high93.2Very high71 Ų7147.9 Ų47.938%0.3825%0.247SC..Hα-helixtrans-67.6-41176.4-70.6-34.6000112.3I418 Y419 L420 A424 L425I418-N422 PolarHBondContact O-N 2.75Å; I418-N422 VanDerWaalsContact O-N 3.1Å; I418-N422 PolarHBondContact O-ND2 3.21Å; Y419-N422 PolarHBondContact O-N 2.81Å; L420-N422 VanDerWaalsContact C-N 3.35Å; N422-A424 VanDerWaalsContact C-N 3.32Å; N422-A424 PolarHBondContact O-N 3.2Å; N422-L425 WeakPolarHBondContact O-CB 3.48Å; N422-L425 PolarHBondContact O-N 2.96Å
423Y94.3Very high93.2Very high49 Ų4951.9 Ų51.919%0.19227%0.268CS..Hα-helixtrans-62.6-39.5176.4-179.6-104.7000111.8L120 E124 Y419 L420 L425 T426 L427 I435L120-Y423 HydrophobicContact CD2-CE1 4.26Å; L120-Y423 HydrophobicContact CG-CE1 4.21Å; E124-Y423 HydrophobicContact CG-CD1 4.4Å; E124-Y423 HydrophobicContact CG-CE1 3.86Å; E124-Y423 HydrophobicContact CG-CE2 4.21Å; Y419-Y423 WeakPolarHBondContact O-CB 3.48Å; Y419-Y423 PolarHBondContact O-N 3.15Å; L420-Y423 PolarHBondContact O-N 3.21Å; Y423-L425 PolarHBondContact O-N 3.07Å; Y423-T426 WeakPolarHBondContact O-CB 3.35Å; Y423-T426 PolarHBondContact O-N 3.49Å; Y423-T426 PolarHBondContact O-OG1 3.14Å; Y423-L427 HydrophobicContact CE1-CD1 4.02Å; Y423-L427 HydrophobicContact CE1-CG 4.49Å; Y423-I435 HydrophobicContact CD1-CD1 3.99Å; Y423-I435 HydrophobicContact CD1-CG2 4.34Å; Y423-I435 HydrophobicContact CE1-CD1 3.82Å
424A93.8Very high93.1Very high2 Ų251.3 Ų51.32%0.01727%0.266CS..Hα-helixtrans-57.7-37.4177.500000111.8L420 E421 N422 T426 L427 Q432 I435L420-A424 VanDerWaalsContact O-CB 3.32Å; L420-A424 WeakPolarHBondContact O-CB 3.42Å; L420-A424 PolarHBondContact O-N 3.19Å; E421-A424 PolarHBondContact O-N 3.34Å; N422-A424 VanDerWaalsContact C-N 3.32Å; N422-A424 PolarHBondContact O-N 3.2Å; A424-T426 PolarHBondContact O-N 3.35Å; A424-L427 PolarHBondContact O-N 3.23Å; A424-L427 VanDerWaalsContact O-N 3.17Å; A424-Q432 HydrophobicContact CB-CG 4.15Å; A424-Q432 VanDerWaalsContact O-CG 3.23Å; A424-Q432 WeakPolarHBondContact O-CG 3.39Å; A424-Q432 PolarHBondContact O-NE2 3.23Å; A424-I435 HydrophobicContact CB-CB 4.07Å; A424-I435 HydrophobicContact CB-CG2 3.93Å
425L92.9Very high93.1Very high127 Ų12751.3 Ų51.367%0.66527%0.266SS*.Hα-helixtrans-65.1-20.6177.2-64.1172.7000113.8N422 Y423 L427N422-L425 WeakPolarHBondContact O-CB 3.48Å; N422-L425 PolarHBondContact O-N 2.96Å; Y423-L425 PolarHBondContact O-N 3.07Å; L425-L427 VanDerWaalsContact C-N 3.31Å
426T92.4Very high93Very high102 Ų10253.1 Ų53.163%0.62628%0.281SS*.Hα-helixtrans-79.6-16.3177.572.20000113Y423 A424Y423-T426 WeakPolarHBondContact O-CB 3.35Å; Y423-T426 PolarHBondContact O-N 3.49Å; Y423-T426 PolarHBondContact O-OG1 3.14Å; A424-T426 PolarHBondContact O-N 3.35Å
427L91Very high93Very high40 Ų4054.4 Ų54.421%0.20929%0.287CS..  trans-95.5136.4179.4-60179.6000110.6L120 Y423 A424 L425 Q432 I435L120-L427 HydrophobicContact CD2-CD1 3.89Å; Y423-L427 HydrophobicContact CE1-CD1 4.02Å; Y423-L427 HydrophobicContact CE1-CG 4.49Å; A424-L427 PolarHBondContact O-N 3.23Å; A424-L427 VanDerWaalsContact O-N 3.17Å; L425-L427 VanDerWaalsContact C-N 3.31Å; L427-Q432 PolarHBondContact O-OE1 3.48Å; L427-I435 HydrophobicContact CD1-CD1 3.32Å
428S82.7Confident93Very high129 Ų12954.4 Ų54.490%0.90229%0.287SS*.  trans-93.9-9.3176.353.70000114
429S85.9Confident93.1Very high58 Ų5854.1 Ų54.141%0.40629%0.285SS..SBendtrans-81.2161.7-176-179.30000112.4E431 Q432S429-E431 PolarHBondContact O-N 2.92Å; S429-E431 PolarHBondContact OG-N 3.48Å; S429-Q432 WeakPolarHBondContact O-CB 3.49Å; S429-Q432 PolarHBondContact O-N 3.5Å
430R87.8Confident93.1Very high181 Ų18157.3 Ų57.368%0.68330%0.297SS*.THydrogen-bonded Turntrans-55.9-22.2170.5-68.8-175.6-178.7-178.60.4113.2T113 Q432 L433T113-R430 HydrophobicContact CG2-CB 3.94Å; R430-Q432 PolarHBondContact O-N 3.41Å; R430-L433 PolarHBondContact O-N 3.39Å; R430-L433 VanDerWaalsContact O-N 3.16Å
431E89.3Confident93.1Very high51 Ų5157.4 Ų57.424%0.23830%0.298CS..Hα-helixtrans-57.7-25.4173.2-65.1-179.6166.200112.7T113 N116 S429 L433 A434 I435T113-E431 HydrophobicContact CG2-CG 4.06Å; N116-E431 WeakPolarHBondContact CB-OE1 3.39Å; S429-E431 PolarHBondContact O-N 2.92Å; S429-E431 PolarHBondContact OG-N 3.48Å; E431-L433 PolarHBondContact O-N 3.37Å; E431-A434 WeakPolarHBondContact O-CB 3.33Å; E431-A434 PolarHBondContact O-N 3.47Å; E431-I435 WeakPolarHBondContact O-CG1 3.23Å; E431-I435 PolarHBondContact O-N 3.02Å
432Q93.6Very high93.2Very high61 Ų6154.8 Ų54.829%0.28529%0.285SS..Hα-helixtrans-50.1-44.2172.5173.7176.621.900112.2A424 L427 S429 R430 A434 I435 A436A424-Q432 HydrophobicContact CB-CG 4.15Å; A424-Q432 VanDerWaalsContact O-CG 3.23Å; A424-Q432 WeakPolarHBondContact O-CG 3.39Å; A424-Q432 PolarHBondContact O-NE2 3.23Å; L427-Q432 PolarHBondContact O-OE1 3.48Å; S429-Q432 WeakPolarHBondContact O-CB 3.49Å; S429-Q432 PolarHBondContact O-N 3.5Å; R430-Q432 PolarHBondContact O-N 3.41Å; Q432-A434 VanDerWaalsContact C-N 3.31Å; Q432-A434 PolarHBondContact O-N 2.94Å; Q432-I435 PolarHBondContact O-N 3.19Å; Q432-A436 WeakPolarHBondContact O-CB 3.39Å; Q432-A436 PolarHBondContact O-N 3.47Å
433L93.5Very high93.3Very high87 Ų8751.6 Ų51.646%0.45527%0.269SS..Hα-helixtrans-63.9-39.3-179.7-62.3176.5000111.5L104 V109 R430 E431 A436 E437L104-L433 HydrophobicContact CD2-CB 4.16Å; V109-L433 HydrophobicContact CG2-CD1 4.33Å; R430-L433 PolarHBondContact O-N 3.39Å; R430-L433 VanDerWaalsContact O-N 3.16Å; E431-L433 PolarHBondContact O-N 3.37Å; L433-A436 PolarHBondContact O-N 2.98Å; L433-E437 PolarHBondContact O-N 3.25Å; L433-E437 VanDerWaalsContact O-N 3.09Å
434A94.8Very high93.3Very high1 Ų150.5 Ų50.51%0.00827%0.268CS..Hα-helixtrans-68.1-40.3178.100000111.8L104 V114 Y118 E431 Q432 E437 F438L104-A434 HydrophobicContact CD1-CB 4.26Å; V114-A434 HydrophobicContact CG1-CB 4.38Å; Y118-A434 HydrophobicContact CD1-CB 4.32Å; Y118-A434 HydrophobicContact CE1-CB 4.42Å; Y118-A434 VanDerWaalsContact CE1-O 3.26Å; Y118-A434 WeakPolarHBondContact CE1-O 3.5Å; E431-A434 WeakPolarHBondContact O-CB 3.33Å; E431-A434 PolarHBondContact O-N 3.47Å; Q432-A434 VanDerWaalsContact C-N 3.31Å; Q432-A434 PolarHBondContact O-N 2.94Å; A434-E437 PolarHBondContact O-N 2.95Å; A434-F438 WeakPolarHBondContact O-CB 3.46Å; A434-F438 PolarHBondContact O-N 2.93Å
435I95.9Very high93.5Very high0 Ų050.8 Ų50.80%027%0.269CS..Hα-helixtrans-66.6-41.7176.5-59.7-175.3000111.1L120 A121 L420 Y423 A424 L427 E431 Q432 E437 F438 A439L120-I435 HydrophobicContact CB-CD1 4.49Å; L120-I435 HydrophobicContact CD2-CD1 3.99Å; L120-I435 HydrophobicContact CG-CD1 4.24Å; A121-I435 HydrophobicContact CB-CG1 4.24Å; A121-I435 HydrophobicContact CB-CG2 4.16Å; L420-I435 HydrophobicContact CB-CG2 4.2Å; L420-I435 HydrophobicContact CD2-CG2 4.35Å; Y423-I435 HydrophobicContact CD1-CD1 3.99Å; Y423-I435 HydrophobicContact CD1-CG2 4.34Å; Y423-I435 HydrophobicContact CE1-CD1 3.82Å; A424-I435 HydrophobicContact CB-CB 4.07Å; A424-I435 HydrophobicContact CB-CG2 3.93Å; L427-I435 HydrophobicContact CD1-CD1 3.32Å; E431-I435 WeakPolarHBondContact O-CG1 3.23Å; E431-I435 PolarHBondContact O-N 3.02Å; Q432-I435 PolarHBondContact O-N 3.19Å; I435-E437 VanDerWaalsContact C-N 3.31Å; I435-E437 PolarHBondContact O-N 3.39Å; I435-F438 WeakPolarHBondContact O-CB 3.49Å; I435-F438 PolarHBondContact O-N 3.18Å; I435-A439 WeakPolarHBondContact O-CB 3.49Å; I435-A439 PolarHBondContact O-N 3.34Å
436A95.3Very high93.6Very high38 Ų3844.7 Ų44.731%0.31424%0.237SC..Hα-helixtrans-59.9-42.1176.500000111.9Q432 L433 A439 R440Q432-A436 WeakPolarHBondContact O-CB 3.39Å; Q432-A436 PolarHBondContact O-N 3.47Å; L433-A436 PolarHBondContact O-N 2.98Å; A436-A439 WeakPolarHBondContact O-CB 3.32Å; A436-A439 PolarHBondContact O-N 2.84Å; A436-R440 PolarHBondContact O-N 3.22Å
437E95.7Very high93.8Very high26 Ų2644.1 Ų44.112%0.12123%0.226CC..Hα-helixtrans-71.7-31.9176.6-75.1-56153.800113.5N100 L104 L433 A434 I435 R440 A441N100-E437 HydrophobicContact CB-CB 4.11Å; N100-E437 PolarHBondContact ND2-O 3.48Å; L104-E437 HydrophobicContact CD1-CB 3.89Å; L104-E437 HydrophobicContact CD1-CG 3.74Å; L104-E437 HydrophobicContact CD2-CG 3.75Å; L104-E437 HydrophobicContact CG-CB 4.37Å; L104-E437 HydrophobicContact CG-CG 3.74Å; L433-E437 PolarHBondContact O-N 3.25Å; L433-E437 VanDerWaalsContact O-N 3.09Å; A434-E437 PolarHBondContact O-N 2.95Å; I435-E437 VanDerWaalsContact C-N 3.31Å; I435-E437 PolarHBondContact O-N 3.39Å; E437-R440 PolarHBondContact O-N 3.3Å; E437-R440 WeakPolarHBondContact OE2-CD 3.07Å; E437-R440 IonicContact OE2-NE 3.95Å; E437-A441 PolarHBondContact O-N 3.49Å
438F96.9Very high94Very high0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-62.3-45.6169.4-171.1-76.3000110.5L97 Y118 A121 C122 L420 A434 I435 R440 A441 M442 T515L97-F438 HydrophobicContact CD1-CE2 4.08Å; L97-F438 HydrophobicContact CD2-CB 4.42Å; L97-F438 HydrophobicContact CD2-CD2 3.34Å; L97-F438 HydrophobicContact CD2-CE2 3.63Å; L97-F438 HydrophobicContact CD2-CG 3.92Å; L97-F438 HydrophobicContact CD2-CZ 4.42Å; Y118-F438 HydrophobicContact CD1-CB 3.97Å; Y118-F438 AromaticContact CD1-CD2 3.85Å; Y118-F438 HydrophobicContact CD1-CD2 3.85Å; Y118-F438 HydrophobicContact CD1-CG 4.41Å; Y118-F438 HydrophobicContact CD2-CD2 4.35Å; Y118-F438 HydrophobicContact CE1-CB 3.94Å; Y118-F438 HydrophobicContact CE1-CD2 4.3Å; Y118-F438 AromaticContact CG-CD2 3.86Å; Y118-F438 HydrophobicContact CG-CD2 3.86Å; A121-F438 HydrophobicContact CB-CB 3.93Å; A121-F438 HydrophobicContact CB-CD1 3.7Å; A121-F438 HydrophobicContact CB-CD2 4Å; A121-F438 HydrophobicContact CB-CE1 4.2Å; A121-F438 HydrophobicContact CB-CE2 4.47Å; A121-F438 HydrophobicContact CB-CG 3.6Å; C122-F438 HydrophobicContact CB-CE2 4.5Å; C122-F438 HydrophobicContact CB-CZ 4.3Å; L420-F438 HydrophobicContact CD1-CD1 3.48Å; L420-F438 VanDerWaalsContact CD1-CD1 3.48Å; L420-F438 HydrophobicContact CD1-CE1 3.84Å; A434-F438 WeakPolarHBondContact O-CB 3.46Å; A434-F438 PolarHBondContact O-N 2.93Å; I435-F438 WeakPolarHBondContact O-CB 3.49Å; I435-F438 PolarHBondContact O-N 3.18Å; F438-R440 VanDerWaalsContact C-N 3.3Å; F438-R440 PolarHBondContact O-N 2.8Å; F438-A441 WeakPolarHBondContact O-CB 3.43Å; F438-A441 PolarHBondContact O-N 2.81Å; F438-A441 VanDerWaalsContact O-N 3.12Å; F438-M442 HydrophobicContact CD1-CG 4.39Å; F438-M442 HydrophobicContact CE1-CG 4.28Å; F438-M442 HydrophobicContact CE1-SD 4.05Å; F438-M442 PolarHBondContact O-N 3.3Å; F438-T515 HydrophobicContact CE2-CG2 4.28Å
439A96.7Very high94.6Very high0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-61.1-38.2177.100000112.3S417 L420 E421 I435 A436 M442S417-A439 VanDerWaalsContact CB-O 3.24Å; S417-A439 WeakPolarHBondContact CB-O 3.37Å; S417-A439 WeakPolarHBondContact O-CB 3.29Å; S417-A439 PolarHBondContact OG-O 2.89Å; L420-A439 HydrophobicContact CB-CB 3.66Å; E421-A439 HydrophobicContact CG-CB 3.84Å; I435-A439 WeakPolarHBondContact O-CB 3.49Å; I435-A439 PolarHBondContact O-N 3.34Å; A436-A439 WeakPolarHBondContact O-CB 3.32Å; A436-A439 PolarHBondContact O-N 2.84Å; A439-M442 WeakPolarHBondContact O-CB 3.35Å
440R96.3Very high94.9Very high121 Ų12135.3 Ų35.346%0.45716%0.164SC..Hα-helixtrans-68.3-35.8173.8178.6176.5147.3135.3-8112.4E103 A436 E437 F438 M442 L443E103-R440 IonicContact OE2-NH2 2.97Å; A436-R440 PolarHBondContact O-N 3.22Å; E437-R440 PolarHBondContact O-N 3.3Å; E437-R440 WeakPolarHBondContact OE2-CD 3.07Å; E437-R440 IonicContact OE2-NE 3.95Å; F438-R440 VanDerWaalsContact C-N 3.3Å; F438-R440 PolarHBondContact O-N 2.8Å; R440-M442 VanDerWaalsContact C-N 3.3Å; R440-M442 PolarHBondContact O-N 3.36Å; R440-L443 PolarHBondContact O-N 2.91Å
441A96.9Very high95.3Very high2 Ų230.3 Ų30.32%0.01715%0.153CC..Hα-helixtrans-63-36.5177.600000111.8A96 L97 N100 E437 F438 L443 S444A96-A441 HydrophobicContact CB-CB 4.21Å; L97-A441 HydrophobicContact CD2-CB 3.66Å; L97-A441 HydrophobicContact CG-CB 4.16Å; N100-A441 WeakPolarHBondContact ND2-CA 3.39Å; N100-A441 WeakPolarHBondContact ND2-CB 3.36Å; N100-A441 PolarHBondContact ND2-N 2.83Å; E437-A441 PolarHBondContact O-N 3.49Å; F438-A441 WeakPolarHBondContact O-CB 3.43Å; F438-A441 PolarHBondContact O-N 2.81Å; F438-A441 VanDerWaalsContact O-N 3.12Å; A441-L443 PolarHBondContact O-N 3.44Å; A441-L443 VanDerWaalsContact O-N 3.13Å; A441-S444 VanDerWaalsContact O-CB 3.23Å; A441-S444 WeakPolarHBondContact O-CB 3.47Å; A441-S444 PolarHBondContact O-N 2.76Å; A441-S444 PolarHBondContact O-OG 3.28Å
442M96.5Very high95.5Very high4 Ų429.5 Ų29.52%0.0215%0.15CC..Hα-helixtrans-55.5-32.1176.8-66.9-59.6-60.500113.2L93 E413 V416 F438 A439 R440 S444 L511L93-M442 HydrophobicContact CD1-SD 3.89Å; L93-M442 HydrophobicContact CD2-SD 4.32Å; E413-M442 HydrophobicContact CB-CE 3.92Å; E413-M442 WeakPolarHBondContact CB-O 3.48Å; E413-M442 HydrophobicContact CG-CE 3.8Å; V416-M442 HydrophobicContact CB-CE 4.3Å; V416-M442 HydrophobicContact CG1-CE 4.17Å; V416-M442 HydrophobicContact CG1-CG 4.22Å; F438-M442 HydrophobicContact CD1-CG 4.39Å; F438-M442 HydrophobicContact CE1-CG 4.28Å; F438-M442 HydrophobicContact CE1-SD 4.05Å; F438-M442 PolarHBondContact O-N 3.3Å; A439-M442 WeakPolarHBondContact O-CB 3.35Å; R440-M442 VanDerWaalsContact C-N 3.3Å; R440-M442 PolarHBondContact O-N 3.36Å; M442-S444 PolarHBondContact O-N 2.92Å; M442-S444 VanDerWaalsContact O-N 3.14Å; M442-L511 HydrophobicContact CE-CD2 3.65Å; M442-L511 HydrophobicContact SD-CD2 3.48Å; M442-L511 WeakPolarHBondContact SD-CD2 3.29Å
443L96.6Very high95.4Very high5 Ų527.9 Ų27.93%0.02615%0.148CC..THydrogen-bonded Turntrans-70.3-4.6178-60.6174.8000113.6T414 S417 R440 A441 I445 P446 K447 V461 R465T414-L443 HydrophobicContact CG2-CD2 4.16Å; S417-L443 WeakPolarHBondContact OG-CG 3.33Å; R440-L443 PolarHBondContact O-N 2.91Å; A441-L443 PolarHBondContact O-N 3.44Å; A441-L443 VanDerWaalsContact O-N 3.13Å; L443-I445 VanDerWaalsContact C-N 3.29Å; L443-I445 PolarHBondContact O-N 2.89Å; L443-P446 HydrophobicContact CD2-CG 4.4Å; L443-P446 WeakPolarHBondContact O-CD 3.45Å; L443-P446 WeakPolarHBondContact O-CG 3.48Å; L443-K447 VanDerWaalsContact O-CB 3.3Å; L443-K447 WeakPolarHBondContact O-CB 3.42Å; L443-K447 WeakPolarHBondContact O-CD 3.28Å; L443-K447 WeakPolarHBondContact O-CG 3.36Å; L443-K447 PolarHBondContact O-N 2.79Å; L443-V461 HydrophobicContact CD2-CG1 4.33Å; L443-R465 HydrophobicContact CD2-CG 4.13Å
444S96Very high95.3Very high25 Ų2527.2 Ų27.218%0.17516%0.161CC..Hα-helixtrans-63-35.4177.567.20000112.6A441 M442 Q448A441-S444 VanDerWaalsContact O-CB 3.23Å; A441-S444 WeakPolarHBondContact O-CB 3.47Å; A441-S444 PolarHBondContact O-N 2.76Å; A441-S444 PolarHBondContact O-OG 3.28Å; M442-S444 PolarHBondContact O-N 2.92Å; M442-S444 VanDerWaalsContact O-N 3.14Å; S444-Q448 VanDerWaalsContact O-CB 3.27Å; S444-Q448 WeakPolarHBondContact O-CB 3.19Å; S444-Q448 PolarHBondContact O-N 2.89Å
445I96Very high95.1Very high8 Ų828.5 Ų28.54%0.04117%0.169CC..Hα-helixtrans-68.4-58.3-179.5-58.2-57.9000111.8L33 I92 E413 L443 K447 Q448 L449L33-I445 HydrophobicContact CD2-CD1 4.37Å; L33-I445 HydrophobicContact CD2-CG2 4.39Å; I92-I445 HydrophobicContact CB-CD1 4.1Å; I92-I445 HydrophobicContact CG2-CD1 3.93Å; E413-I445 HydrophobicContact CG-CB 4.05Å; E413-I445 HydrophobicContact CG-CG1 4.17Å; E413-I445 HydrophobicContact CG-CG2 4.36Å; L443-I445 VanDerWaalsContact C-N 3.29Å; L443-I445 PolarHBondContact O-N 2.89Å; I445-K447 VanDerWaalsContact C-N 3.26Å; I445-K447 PolarHBondContact O-N 3.46Å; I445-Q448 PolarHBondContact O-N 3.21Å; I445-Q448 VanDerWaalsContact O-N 3.1Å; I445-L449 HydrophobicContact CG2-CD1 4.3Å; I445-L449 WeakPolarHBondContact O-CG 3.48Å; I445-L449 PolarHBondContact O-N 3.03Å
446P95.9Very high94.9Very high0 Ų032.6 Ų32.60%019%0.191CC..Hα-helixtrans-61.5-34.6178.623.5-34.4000112.5L443 A450 V461 L464 L485L443-P446 HydrophobicContact CD2-CG 4.4Å; L443-P446 WeakPolarHBondContact O-CD 3.45Å; L443-P446 WeakPolarHBondContact O-CG 3.48Å; P446-A450 PolarHBondContact O-N 3.16Å; P446-A450 VanDerWaalsContact O-N 3.12Å; P446-V461 HydrophobicContact CB-CG2 4.25Å; P446-L464 HydrophobicContact CB-CD2 4.13Å; P446-L485 HydrophobicContact CB-CD1 3.8Å; P446-L485 VanDerWaalsContact O-CD1 3.29Å; P446-L485 WeakPolarHBondContact O-CD1 3.44Å
447K95.9Very high94.7Very high89 Ų8932.1 Ų32.139%0.38719%0.185SC..Hα-helixtrans-61.3-48172.8-75.3175.4-178.31790111.6L443 I445 L449 A450 V451 V461L443-K447 VanDerWaalsContact O-CB 3.3Å; L443-K447 WeakPolarHBondContact O-CB 3.42Å; L443-K447 WeakPolarHBondContact O-CD 3.28Å; L443-K447 WeakPolarHBondContact O-CG 3.36Å; L443-K447 PolarHBondContact O-N 2.79Å; I445-K447 VanDerWaalsContact C-N 3.26Å; I445-K447 PolarHBondContact O-N 3.46Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 3.02Å; K447-A450 PolarHBondContact O-N 2.98Å; K447-V451 VanDerWaalsContact O-CG2 3.29Å; K447-V451 WeakPolarHBondContact O-CG2 3.31Å; K447-V451 PolarHBondContact O-N 3.35Å; K447-V461 HydrophobicContact CG-CB 4.44Å; K447-V461 HydrophobicContact CG-CG1 4.3Å; K447-V461 HydrophobicContact CG-CG2 3.8Å
448Q95.6Very high94.6Very high27 Ų2735.7 Ų35.713%0.12621%0.209CC..Hα-helixtrans-65.5-38.4-178.8-171.962.248.300112.1K30 L33 I92 S444 I445 A450 V451 N452K30-Q448 HydrophobicContact CB-CG 4.2Å; K30-Q448 VanDerWaalsContact CD-OE1 3.3Å; K30-Q448 HydrophobicContact CG-CG 4.05Å; K30-Q448 PolarHBondContact O-NE2 3.24Å; L33-Q448 HydrophobicContact CB-CG 4.28Å; L33-Q448 HydrophobicContact CD2-CB 3.79Å; L33-Q448 HydrophobicContact CD2-CG 3.8Å; I92-Q448 HydrophobicContact CD1-CG 4.44Å; S444-Q448 VanDerWaalsContact O-CB 3.27Å; S444-Q448 WeakPolarHBondContact O-CB 3.19Å; S444-Q448 PolarHBondContact O-N 2.89Å; I445-Q448 PolarHBondContact O-N 3.21Å; I445-Q448 VanDerWaalsContact O-N 3.1Å; Q448-A450 PolarHBondContact O-N 3.49Å; Q448-V451 PolarHBondContact O-N 2.95Å; Q448-N452 PolarHBondContact NE2-OD1 3.49Å; Q448-N452 PolarHBondContact O-N 3.22Å
449L94.9Very high94.4Very high16 Ų1640.2 Ų40.28%0.08423%0.23CC..Hα-helixtrans-57.7-46.6173.6-70.4174.6000111.8L33 G34 I445 K447 N452 A453 L485 L487L33-L449 HydrophobicContact CD2-CD2 4.17Å; L33-L449 HydrophobicContact CD2-CG 4.26Å; L33-L449 HydrophobicContact CG-CD2 3.95Å; G34-L449 VanDerWaalsContact CA-CD2 3.43Å; I445-L449 HydrophobicContact CG2-CD1 4.3Å; I445-L449 WeakPolarHBondContact O-CG 3.48Å; I445-L449 PolarHBondContact O-N 3.03Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 3.02Å; L449-N452 PolarHBondContact O-N 3.42Å; L449-A453 PolarHBondContact O-N 3.44Å; L449-L485 HydrophobicContact CB-CD1 4.3Å; L449-L487 HydrophobicContact CB-CD1 4.33Å
450A94.2Very high94.2Very high0 Ų040.4 Ų40.40%023%0.231CC..Hα-helixtrans-68.5-37.4178.100000113P446 K447 Q448 A453 G454 V455 L460P446-A450 PolarHBondContact O-N 3.16Å; P446-A450 VanDerWaalsContact O-N 3.12Å; K447-A450 PolarHBondContact O-N 2.98Å; Q448-A450 PolarHBondContact O-N 3.49Å; A450-A453 WeakPolarHBondContact O-CB 3.43Å; A450-A453 PolarHBondContact O-N 3.13Å; A450-G454 PolarHBondContact O-N 3.32Å; A450-V455 PolarHBondContact O-N 3.43Å; A450-L460 HydrophobicContact CB-CD1 4.18Å
451V94.5Very high94.1Very high75 Ų7534.9 Ų34.946%0.45521%0.211SC..Hα-helixtrans-62.7-44.7175.4168.70000111.1K447 Q448 A453 G454K447-V451 VanDerWaalsContact O-CG2 3.29Å; K447-V451 WeakPolarHBondContact O-CG2 3.31Å; K447-V451 PolarHBondContact O-N 3.35Å; Q448-V451 PolarHBondContact O-N 2.95Å; V451-A453 PolarHBondContact O-N 3.43Å; V451-G454 PolarHBondContact O-N 2.87Å
452N93.8Very high94Very high34 Ų3437.5 Ų37.518%0.18223%0.233CC..Hα-helixtrans-66-28.3177.8-69.5-10.4000112.1K30 L33 V36 Q448 L449 G454K30-N452 PolarHBondContact O-ND2 2.94Å; K30-N452 PolarHBondContact O-OD1 3.47Å; L33-N452 PolarHBondContact O-ND2 3.06Å; V36-N452 HydrophobicContact CG2-CB 3.99Å; Q448-N452 PolarHBondContact NE2-OD1 3.49Å; Q448-N452 PolarHBondContact O-N 3.22Å; L449-N452 PolarHBondContact O-N 3.42Å; N452-G454 PolarHBondContact O-N 3.29Å
453A91.8Very high93.9Very high28 Ų2841.9 Ų41.923%0.23125%0.249CC..THydrogen-bonded Turntrans-72.3-10.5173.100000113.7V36 L449 A450 V451 V455 L487V36-A453 HydrophobicContact CG2-CB 3.83Å; L449-A453 PolarHBondContact O-N 3.44Å; A450-A453 WeakPolarHBondContact O-CB 3.43Å; A450-A453 PolarHBondContact O-N 3.13Å; V451-A453 PolarHBondContact O-N 3.43Å; A453-V455 HydrophobicContact CB-CG2 3.81Å; A453-V455 PolarHBondContact O-N 2.95Å; A453-L487 HydrophobicContact CB-CB 4.16Å; A453-L487 HydrophobicContact CB-CD1 4.41Å; A453-L487 HydrophobicContact CB-CD2 4.04Å; A453-L487 HydrophobicContact CB-CG 4.42Å
454G90.9Very high93.8Very high72 Ų7241.6 Ų41.674%0.74225%0.248SC*.THydrogen-bonded Turntrans69.517.6-17400000114A450 V451 N452A450-G454 PolarHBondContact O-N 3.32Å; V451-G454 PolarHBondContact O-N 2.87Å; N452-G454 PolarHBondContact O-N 3.29Å
455V90.4Very high93.8Very high29 Ų2944.5 Ų44.518%0.17626%0.255CS..SBendtrans-99.4159.3-179.7-1670000109.7A450 A453 S457 L460 Q490A450-V455 PolarHBondContact O-N 3.43Å; A453-V455 HydrophobicContact CB-CG2 3.81Å; A453-V455 PolarHBondContact O-N 2.95Å; V455-S457 PolarHBondContact O-N 3.26Å; V455-L460 HydrophobicContact CB-CD1 3.94Å; V455-L460 HydrophobicContact CG1-CD1 3.62Å; V455-L460 HydrophobicContact CG1-CG 4.17Å; V455-Q490 HydrophobicContact CG1-CB 4.22Å; V455-Q490 HydrophobicContact CG1-CG 4.31Å; V455-Q490 HydrophobicContact CG2-CG 3.91Å
456D92Very high93.7Very high86 Ų8647.5 Ų47.546%0.4628%0.277SS..  trans-64.298.1174.5-174.22.3000111.3T458 E459 L460D456-T458 PolarHBondContact O-N 2.95Å; D456-T458 VanDerWaalsContact OD1-CB 3.26Å; D456-T458 WeakPolarHBondContact OD1-CB 3.32Å; D456-T458 PolarHBondContact OD1-N 3.17Å; D456-T458 PolarHBondContact OD1-OG1 3.04Å; D456-E459 HydrophobicContact CB-CB 4.3Å; D456-E459 PolarHBondContact O-N 3.01Å; D456-L460 PolarHBondContact O-N 2.86Å
457S92.1Very high93.6Very high27 Ų2748.4 Ų48.419%0.18928%0.283CS..Hα-helixtrans-59.1-26.8177.367.40000113.3V455 V461V455-S457 PolarHBondContact O-N 3.26Å; S457-V461 WeakPolarHBondContact O-CB 3.24Å; S457-V461 WeakPolarHBondContact O-CG2 3.46Å; S457-V461 PolarHBondContact O-N 3.32Å; S457-V461 VanDerWaalsContact O-N 3.13Å
458T93Very high93.6Very high102 Ų10244.2 Ų44.263%0.62626%0.264SS*.Hα-helixtrans-70.1-48.2-179.3-47.10000110.1D456 A462D456-T458 PolarHBondContact O-N 2.95Å; D456-T458 VanDerWaalsContact OD1-CB 3.26Å; D456-T458 WeakPolarHBondContact OD1-CB 3.32Å; D456-T458 PolarHBondContact OD1-N 3.17Å; D456-T458 PolarHBondContact OD1-OG1 3.04Å; T458-A462 WeakPolarHBondContact O-CB 3.37Å; T458-A462 PolarHBondContact O-N 2.95Å
459E93.2Very high93.6Very high94 Ų9446.1 Ų46.144%0.43928%0.275SS..Hα-helixtrans-65.2-50.6179.7-178.5172.3-160.200111.8D456 V461 A462 R463D456-E459 HydrophobicContact CB-CB 4.3Å; D456-E459 PolarHBondContact O-N 3.01Å; E459-V461 PolarHBondContact O-N 3.09Å; E459-A462 PolarHBondContact O-N 3.27Å; E459-R463 WeakPolarHBondContact O-CG 3.39Å; E459-R463 PolarHBondContact O-N 3.39Å; E459-R463 IonicContact OE1-CZ 3.9Å; E459-R463 IonicContact OE1-NE 3.59Å; E459-R463 PolarHBondContact OE1-NE 2.97Å; E459-R463 IonicContact OE1-NH2 2.85Å; E459-R463 PolarHBondContact OE1-NH2 3.31Å
460L92.8Very high93.5Very high4 Ų446.5 Ų46.52%0.02128%0.279CS..Hα-helixtrans-63-45.1-177.5-74-177000112.4A450 V455 D456 A462 R463 L464 L485 Q490A450-L460 HydrophobicContact CB-CD1 4.18Å; V455-L460 HydrophobicContact CB-CD1 3.94Å; V455-L460 HydrophobicContact CG1-CD1 3.62Å; V455-L460 HydrophobicContact CG1-CG 4.17Å; D456-L460 PolarHBondContact O-N 2.86Å; L460-A462 VanDerWaalsContact C-N 3.34Å; L460-R463 PolarHBondContact O-N 3.41Å; L460-L464 WeakPolarHBondContact O-CB 3.5Å; L460-L464 PolarHBondContact O-N 3.21Å; L460-L485 HydrophobicContact CB-CD2 4.04Å; L460-Q490 WeakPolarHBondContact CD2-O 3.36Å
461V94.3Very high93.4Very high5 Ų547.1 Ų47.13%0.0328%0.284CS..Hα-helixtrans-69.2-34.9179.3176.30000111L443 P446 K447 S457 E459 L464 R465L443-V461 HydrophobicContact CD2-CG1 4.33Å; P446-V461 HydrophobicContact CB-CG2 4.25Å; K447-V461 HydrophobicContact CG-CB 4.44Å; K447-V461 HydrophobicContact CG-CG1 4.3Å; K447-V461 HydrophobicContact CG-CG2 3.8Å; S457-V461 WeakPolarHBondContact O-CB 3.24Å; S457-V461 WeakPolarHBondContact O-CG2 3.46Å; S457-V461 PolarHBondContact O-N 3.32Å; S457-V461 VanDerWaalsContact O-N 3.13Å; E459-V461 PolarHBondContact O-N 3.09Å; V461-L464 PolarHBondContact O-N 3.12Å; V461-R465 HydrophobicContact CG1-CG 4.43Å; V461-R465 WeakPolarHBondContact O-CB 3.47Å; V461-R465 VanDerWaalsContact O-CG 3.29Å; V461-R465 WeakPolarHBondContact O-CG 3.46Å; V461-R465 PolarHBondContact O-N 3.27Å
462A94.7Very high93.2Very high58 Ų5846.2 Ų46.248%0.47927%0.274SS..Hα-helixtrans-63.5-44.1173.900000112T458 E459 L460 R465 S466T458-A462 WeakPolarHBondContact O-CB 3.37Å; T458-A462 PolarHBondContact O-N 2.95Å; E459-A462 PolarHBondContact O-N 3.27Å; L460-A462 VanDerWaalsContact C-N 3.34Å; A462-R465 PolarHBondContact O-N 3.13Å; A462-S466 PolarHBondContact O-N 2.8Å
463R94.2Very high93Very high95 Ų9548.2 Ų48.236%0.35829%0.291SS..Hα-helixtrans-61.4-47.8174.6-71.5176.3-179.5-171.5-1.1111.4E459 L460 R465 S466 C467 Y491 V492E459-R463 WeakPolarHBondContact O-CG 3.39Å; E459-R463 PolarHBondContact O-N 3.39Å; E459-R463 IonicContact OE1-CZ 3.9Å; E459-R463 IonicContact OE1-NE 3.59Å; E459-R463 PolarHBondContact OE1-NE 2.97Å; E459-R463 IonicContact OE1-NH2 2.85Å; E459-R463 PolarHBondContact OE1-NH2 3.31Å; L460-R463 PolarHBondContact O-N 3.41Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R463-R465 PolarHBondContact O-N 3.45Å; R463-S466 WeakPolarHBondContact O-CB 3.22Å; R463-S466 PolarHBondContact O-N 3.14Å; R463-S466 VanDerWaalsContact O-N 3.09Å; R463-C467 PolarHBondContact O-N 2.82Å; R463-C467 PolarHBondContact O-SG 3.1Å; R463-C467 VanDerWaalsContact O-SG 3.41Å; R463-Y491 VanDerWaalsContact NH1-CD2 3.33Å; R463-Y491 VanDerWaalsContact NH1-CE2 3.27Å; R463-V492 HydrophobicContact CB-CG2 3.92Å
464L94.7Very high92.9Very high0 Ų052.2 Ų52.20%030%0.304CS..Hα-helixtrans-58.6-45.4178.3-175.165.2000111.6T414 P446 L460 V461 S466 C467 H468 W483 L485 V492T414-L464 HydrophobicContact CG2-CD2 4.22Å; T414-L464 HydrophobicContact CG2-CG 3.92Å; T414-L464 WeakPolarHBondContact OG1-CD2 3.4Å; P446-L464 HydrophobicContact CB-CD2 4.13Å; L460-L464 WeakPolarHBondContact O-CB 3.5Å; L460-L464 PolarHBondContact O-N 3.21Å; V461-L464 PolarHBondContact O-N 3.12Å; L464-S466 VanDerWaalsContact C-N 3.31Å; L464-S466 PolarHBondContact O-N 2.95Å; L464-C467 WeakPolarHBondContact O-CB 3.46Å; L464-C467 PolarHBondContact O-N 2.95Å; L464-H468 PolarHBondContact O-CD2 3.42Å; L464-H468 VanDerWaalsContact O-CD2 3.27Å; L464-H468 PolarHBondContact O-N 3.2Å; L464-H468 VanDerWaalsContact O-N 3.09Å; L464-W483 VanDerWaalsContact CD1-O 3.3Å; L464-W483 WeakPolarHBondContact CD1-O 3.21Å; L464-L485 HydrophobicContact CB-CD2 4.27Å; L464-L485 HydrophobicContact CD2-CD2 3.92Å; L464-L485 HydrophobicContact CD2-CG 3.94Å; L464-V492 HydrophobicContact CB-CG2 4.24Å; L464-V492 HydrophobicContact CD1-CG1 3.72Å
465R95.3Very high92.7Very high86 Ų8654 Ų5433%0.32530%0.302SS..Hα-helixtrans-59.3-41.3174.6-76-178.376.8-160.95.1112.3T414 I418 E421 L443 V461 A462 R463 C467 H468 N469T414-R465 HydrophobicContact CG2-CB 4.37Å; T414-R465 HydrophobicContact CG2-CG 3.71Å; I418-R465 HydrophobicContact CD1-CB 4.28Å; I418-R465 HydrophobicContact CD1-CG 4.35Å; E421-R465 VanDerWaalsContact CD-NH2 3.34Å; E421-R465 IonicContact OE1-CZ 2.61Å; E421-R465 IonicContact OE1-NH2 3.42Å; E421-R465 PolarHBondContact OE1-NH2 3.28Å; E421-R465 IonicContact OE2-NH2 3.18Å; E421-R465 PolarHBondContact OE2-NH2 3.07Å; L443-R465 HydrophobicContact CD2-CG 4.13Å; V461-R465 HydrophobicContact CG1-CG 4.43Å; V461-R465 WeakPolarHBondContact O-CB 3.47Å; V461-R465 VanDerWaalsContact O-CG 3.29Å; V461-R465 WeakPolarHBondContact O-CG 3.46Å; V461-R465 PolarHBondContact O-N 3.27Å; A462-R465 PolarHBondContact O-N 3.13Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R463-R465 PolarHBondContact O-N 3.45Å; R465-C467 PolarHBondContact O-N 2.96Å; R465-H468 PolarHBondContact O-N 3.29Å; R465-N469 VanDerWaalsContact O-CB 3.28Å; R465-N469 WeakPolarHBondContact O-CB 3.48Å; R465-N469 PolarHBondContact O-N 3.12Å
466S94.7Very high92.7Very high71 Ų7159.7 Ų59.750%0.49733%0.331SS..Hα-helixtrans-60.7-43.4177.1-172.10000112.2A462 R463 L464 N469 S470A462-S466 PolarHBondContact O-N 2.8Å; R463-S466 WeakPolarHBondContact O-CB 3.22Å; R463-S466 PolarHBondContact O-N 3.14Å; R463-S466 VanDerWaalsContact O-N 3.09Å; L464-S466 VanDerWaalsContact C-N 3.31Å; L464-S466 PolarHBondContact O-N 2.95Å; S466-N469 PolarHBondContact O-N 3.48Å; S466-S470 WeakPolarHBondContact O-CB 3.46Å; S466-S470 PolarHBondContact O-N 3.48Å; S466-S470 PolarHBondContact O-OG 3.49Å
467C93.8Very high92.5Very high19 Ų1958 Ų5813%0.12832%0.321CS..Hα-helixtrans-61.1-48.4176.1-65.50000112R463 L464 R465 S470 S471 Y480 W483R463-C467 PolarHBondContact O-N 2.82Å; R463-C467 PolarHBondContact O-SG 3.1Å; R463-C467 VanDerWaalsContact O-SG 3.41Å; L464-C467 WeakPolarHBondContact O-CB 3.46Å; L464-C467 PolarHBondContact O-N 2.95Å; R465-C467 PolarHBondContact O-N 2.96Å; C467-S470 PolarHBondContact O-N 2.95Å; C467-S471 PolarHBondContact O-N 3.32Å; C467-Y480 WeakPolarHBondContact O-CB 3.26Å; C467-W483 HydrophobicContact CB-CE3 4.37Å
468H94.8Very high92.3Very high0 Ų058.9 Ų58.90%033%0.33CS..Hα-helixtrans-69.9-33.8179.7-78.9-78.8000113.4A411 T414 A415 I418 L464 R465 S471 Q472 K481 W483A411-H468 PolarHBondContact O-CE1 3.08Å; A411-H468 VanDerWaalsContact O-CE1 3.26Å; T414-H468 HydrophobicContact CG2-CB 4.25Å; A415-H468 WeakPolarHBondContact CB-ND1 3.36Å; I418-H468 HydrophobicContact CG1-CB 4.25Å; L464-H468 PolarHBondContact O-CD2 3.42Å; L464-H468 VanDerWaalsContact O-CD2 3.27Å; L464-H468 PolarHBondContact O-N 3.2Å; L464-H468 VanDerWaalsContact O-N 3.09Å; R465-H468 PolarHBondContact O-N 3.29Å; H468-S471 PolarHBondContact O-N 2.93Å; H468-S471 PolarHBondContact O-OG 3.17Å; H468-Q472 WeakPolarHBondContact O-CG 3.43Å; H468-Q472 PolarHBondContact O-N 3.25Å; H468-K481 PolarHBondContact CE1-O 3.38Å; H468-K481 VanDerWaalsContact CE1-O 3.29Å; H468-W483 PolarHBondContact NE2-O 3.06Å
469N94.7Very high92.1Very high67 Ų6758.4 Ų58.436%0.35832%0.32SS..Hα-helixtrans-66.7-40.4172.4-173.455.3000112I418 R465 S466 S471 Q472 S473I418-N469 HydrophobicContact CD1-CB 4.46Å; I418-N469 HydrophobicContact CG2-CB 4.15Å; R465-N469 VanDerWaalsContact O-CB 3.28Å; R465-N469 WeakPolarHBondContact O-CB 3.48Å; R465-N469 PolarHBondContact O-N 3.12Å; S466-N469 PolarHBondContact O-N 3.48Å; N469-S471 VanDerWaalsContact C-N 3.34Å; N469-Q472 PolarHBondContact O-N 3.29Å; N469-S473 VanDerWaalsContact O-CB 3.29Å; N469-S473 WeakPolarHBondContact O-CB 3.48Å; N469-S473 PolarHBondContact O-N 2.64Å; N469-S473 PolarHBondContact O-OG 2.97Å
470S93.4Very high92Very high24 Ų2456.6 Ų56.617%0.16831%0.309CS..Hα-helixtrans-64.9-38.5175.7-60.30000111.9S466 C467 Q472 S473 K474S466-S470 WeakPolarHBondContact O-CB 3.46Å; S466-S470 PolarHBondContact O-N 3.48Å; S466-S470 PolarHBondContact O-OG 3.49Å; C467-S470 PolarHBondContact O-N 2.95Å; S470-Q472 VanDerWaalsContact C-N 3.33Å; S470-Q472 PolarHBondContact O-N 3.35Å; S470-S473 PolarHBondContact O-N 3.36Å; S470-K474 WeakPolarHBondContact O-CB 3.17Å; S470-K474 PolarHBondContact O-N 3.17Å
471S91.7Very high91.9Very high13 Ų1359 Ų599%0.09132%0.32CS..Hα-helixtrans-65.9-32.6178.679.10000113.7C467 H468 N469 Q477C467-S471 PolarHBondContact O-N 3.32Å; H468-S471 PolarHBondContact O-N 2.93Å; H468-S471 PolarHBondContact O-OG 3.17Å; N469-S471 VanDerWaalsContact C-N 3.34Å; S471-Q477 WeakPolarHBondContact CA-O 3.3Å; S471-Q477 WeakPolarHBondContact CB-O 3.27Å
472Q90.5Very high91.8Very high56 Ų5659.5 Ų59.526%0.26232%0.321SS..Hα-helixtrans-84.7-29177.5-66.2-179.434.900112.7Y128 A415 H468 N469 S470Y128-Q472 PolarHBondContact OH-NE2 3.34Å; A415-Q472 PolarHBondContact O-NE2 3.02Å; H468-Q472 WeakPolarHBondContact O-CG 3.43Å; H468-Q472 PolarHBondContact O-N 3.25Å; N469-Q472 PolarHBondContact O-N 3.29Å; S470-Q472 VanDerWaalsContact C-N 3.33Å; S470-Q472 PolarHBondContact O-N 3.35Å
473S90.3Very high91.7Very high77 Ų7759.3 Ų59.354%0.53831%0.308SS..Hα-helixtrans-87-34.8-177.8-57.50000113.5N469 S470N469-S473 VanDerWaalsContact O-CB 3.29Å; N469-S473 WeakPolarHBondContact O-CB 3.48Å; N469-S473 PolarHBondContact O-N 2.64Å; N469-S473 PolarHBondContact O-OG 2.97Å; S470-S473 PolarHBondContact O-N 3.36Å
474K90.5Very high91.8Very high112 Ų11254.8 Ų54.849%0.48729%0.291SS..  trans-120117.6-173.7-64.7177.9-176.2172.90110.4S470 D476 Q477S470-K474 WeakPolarHBondContact O-CB 3.17Å; S470-K474 PolarHBondContact O-N 3.17Å; K474-D476 PolarHBondContact O-N 3.26Å; K474-Q477 HydrophobicContact CB-CB 4.29Å; K474-Q477 PolarHBondContact O-N 3.25Å
475P86.2Confident91.7Very high110 Ų11055.2 Ų55.271%0.71429%0.293SS*.G310 helixtrans-61.2-33-18024.2-32.9000112.6Q477 A478P475-Q477 PolarHBondContact O-N 2.99Å; P475-A478 VanDerWaalsContact O-CB 3.29Å; P475-A478 WeakPolarHBondContact O-CB 3.41Å; P475-A478 PolarHBondContact O-N 3.26Å
476D88.9Confident91.6Very high147 Ų14752 Ų5279%0.78628%0.282SS*.G310 helixtrans-63-23.7178.4-55.8-26.4000112.9K474K474-D476 PolarHBondContact O-N 3.26Å
477Q88.7Confident91.3Very high52 Ų5249.5 Ų49.524%0.24326%0.263CS..G310 helixtrans-108.517.7-177.2-67.8-176.2-21.800112.5S471 K474 P475 H479 Y480S471-Q477 WeakPolarHBondContact CA-O 3.3Å; S471-Q477 WeakPolarHBondContact CB-O 3.27Å; K474-Q477 HydrophobicContact CB-CB 4.29Å; K474-Q477 PolarHBondContact O-N 3.25Å; P475-Q477 PolarHBondContact O-N 2.99Å; Q477-H479 PolarHBondContact O-N 3.44Å; Q477-Y480 HydrophobicContact CB-CD2 3.7Å; Q477-Y480 HydrophobicContact CB-CE2 3.86Å; Q477-Y480 HydrophobicContact CG-CD2 4.19Å; Q477-Y480 HydrophobicContact CG-CE2 3.8Å; Q477-Y480 WeakPolarHBondContact O-CB 3.29Å; Q477-Y480 PolarHBondContact O-N 2.84Å
478A88.1Confident91Very high45 Ų4555 Ų5537%0.37229%0.292SS..G310 helixtrans-57.7-21.7179.800000113.7P475 Y480 K481P475-A478 VanDerWaalsContact O-CB 3.29Å; P475-A478 WeakPolarHBondContact O-CB 3.41Å; P475-A478 PolarHBondContact O-N 3.26Å; A478-Y480 VanDerWaalsContact C-N 3.28Å; A478-Y480 PolarHBondContact O-N 3.48Å; A478-K481 WeakPolarHBondContact O-CD 3.43Å; A478-K481 WeakPolarHBondContact O-CG 3.29Å; A478-K481 PolarHBondContact O-N 3.46Å
479H89.3Confident90.7Very high91 Ų9160.9 Ų60.942%0.42132%0.323SS..G310 helixtrans-67.5-25.3176.767.2-84.2000113.2Q477 K481 W482Q477-H479 PolarHBondContact O-N 3.44Å; H479-K481 PolarHBondContact O-N 3.39Å; H479-W482 VanDerWaalsContact O-CD1 3.3Å; H479-W482 PolarHBondContact O-N 2.92Å; H479-W482 VanDerWaalsContact O-N 3.1Å
480Y90.3Very high90.4Very high56 Ų5663.3 Ų63.322%0.2233%0.332CS..G310 helixtrans-63.9-8.7176-66.7-29.2000113.9C467 Q477 A478 W482 W483C467-Y480 WeakPolarHBondContact O-CB 3.26Å; Q477-Y480 HydrophobicContact CB-CD2 3.7Å; Q477-Y480 HydrophobicContact CB-CE2 3.86Å; Q477-Y480 HydrophobicContact CG-CD2 4.19Å; Q477-Y480 HydrophobicContact CG-CE2 3.8Å; Q477-Y480 WeakPolarHBondContact O-CB 3.29Å; Q477-Y480 PolarHBondContact O-N 2.84Å; A478-Y480 VanDerWaalsContact C-N 3.28Å; A478-Y480 PolarHBondContact O-N 3.48Å; Y480-W482 PolarHBondContact O-N 3.31Å; Y480-W483 AromaticContact CD1-CD2 3.7Å; Y480-W483 HydrophobicContact CD1-CD2 3.7Å; Y480-W483 AromaticContact CD1-CE2 3.39Å; Y480-W483 HydrophobicContact CD1-CE3 4.22Å; Y480-W483 HydrophobicContact CD1-CG 4.15Å; Y480-W483 HydrophobicContact CD1-CH2 4.23Å; Y480-W483 AromaticContact CD1-CZ2 3.69Å; Y480-W483 HydrophobicContact CD1-CZ2 3.69Å; Y480-W483 HydrophobicContact CD1-CZ3 4.46Å; Y480-W483 AromaticContact CD1-NE1 3.64Å; Y480-W483 HydrophobicContact CE1-CD2 4.25Å; Y480-W483 AromaticContact CE1-CE2 3.68Å; Y480-W483 AromaticContact CE1-CH2 3.77Å; Y480-W483 HydrophobicContact CE1-CH2 3.77Å; Y480-W483 AromaticContact CE1-CZ2 3.43Å; Y480-W483 HydrophobicContact CE1-CZ2 3.43Å; Y480-W483 VanDerWaalsContact CE1-CZ2 3.43Å; Y480-W483 HydrophobicContact CE1-CZ3 4.3Å; Y480-W483 WeakPolarHBondContact O-CB 3.38Å; Y480-W483 PolarHBondContact O-N 2.87Å; Y480-W483 VanDerWaalsContact O-N 3.16Å
481K90.2Very high90.2Very high56 Ų5668 Ų6824%0.24335%0.347CS..G310 helixtrans-63.4-20.2170.478-174.4-175.1168.80113.6H132 M133 H468 A478 H479 W483H132-K481 WeakPolarHBondContact O-CE 3.4Å; H132-K481 PolarHBondContact O-NZ 2.77Å; M133-K481 WeakPolarHBondContact CE-O 3.34Å; M133-K481 HydrophobicContact SD-CB 4.22Å; H468-K481 PolarHBondContact CE1-O 3.38Å; H468-K481 VanDerWaalsContact CE1-O 3.29Å; A478-K481 WeakPolarHBondContact O-CD 3.43Å; A478-K481 WeakPolarHBondContact O-CG 3.29Å; A478-K481 PolarHBondContact O-N 3.46Å; H479-K481 PolarHBondContact O-N 3.39Å; K481-W483 VanDerWaalsContact C-N 3.32Å
482W92.1Very high90.3Very high15 Ų1567.6 Ų67.66%0.05734%0.344CS..G310 helixtrans-89.7-0.7178.1-57.1104.9000113M133 Y135 P407 H479 Y480 D494 C495 K496M133-W482 WeakPolarHBondContact O-CH2 3.26Å; M133-W482 WeakPolarHBondContact O-CZ3 3.39Å; Y135-W482 HydrophobicContact CD2-CH2 4.27Å; Y135-W482 HydrophobicContact CD2-CZ2 4.44Å; Y135-W482 HydrophobicContact CG-CH2 4.41Å; P407-W482 HydrophobicContact CB-CE3 4Å; P407-W482 HydrophobicContact CG-CE3 3.81Å; P407-W482 HydrophobicContact CG-CZ3 4.11Å; H479-W482 VanDerWaalsContact O-CD1 3.3Å; H479-W482 PolarHBondContact O-N 2.92Å; H479-W482 VanDerWaalsContact O-N 3.1Å; Y480-W482 PolarHBondContact O-N 3.31Å; W482-D494 WeakPolarHBondContact CB-OD1 3.18Å; W482-C495 VanDerWaalsContact O-CB 3.24Å; W482-C495 WeakPolarHBondContact O-CB 3.4Å; W482-C495 PolarHBondContact O-N 3.1Å; W482-C495 PolarHBondContact O-SG 2.85Å; W482-K496 HydrophobicContact CB-CG 4.45Å; W482-K496 HydrophobicContact CD2-CD 4.33Å; W482-K496 VanDerWaalsContact CD2-CE 3.41Å; W482-K496 HydrophobicContact CD2-CG 4.48Å; W482-K496 VanDerWaalsContact CE2-CE 3.45Å; W482-K496 HydrophobicContact CG-CD 4.17Å; W482-K496 HydrophobicContact CG-CG 4.41Å
483W94.3Very high90.4Very high53 Ų5366 Ų6620%0.20134%0.341CS..EExtended strand (participates in β ladder)trans-81.1133.4-174.8-76.732.5000111.3A411 L464 C467 H468 Y480 K481 V492 A493A411-W483 WeakPolarHBondContact CB-O 3.43Å; L464-W483 VanDerWaalsContact CD1-O 3.3Å; L464-W483 WeakPolarHBondContact CD1-O 3.21Å; C467-W483 HydrophobicContact CB-CE3 4.37Å; H468-W483 PolarHBondContact NE2-O 3.06Å; Y480-W483 AromaticContact CD1-CD2 3.7Å; Y480-W483 HydrophobicContact CD1-CD2 3.7Å; Y480-W483 AromaticContact CD1-CE2 3.39Å; Y480-W483 HydrophobicContact CD1-CE3 4.22Å; Y480-W483 HydrophobicContact CD1-CG 4.15Å; Y480-W483 HydrophobicContact CD1-CH2 4.23Å; Y480-W483 AromaticContact CD1-CZ2 3.69Å; Y480-W483 HydrophobicContact CD1-CZ2 3.69Å; Y480-W483 HydrophobicContact CD1-CZ3 4.46Å; Y480-W483 AromaticContact CD1-NE1 3.64Å; Y480-W483 HydrophobicContact CE1-CD2 4.25Å; Y480-W483 AromaticContact CE1-CE2 3.68Å; Y480-W483 AromaticContact CE1-CH2 3.77Å; Y480-W483 HydrophobicContact CE1-CH2 3.77Å; Y480-W483 AromaticContact CE1-CZ2 3.43Å; Y480-W483 HydrophobicContact CE1-CZ2 3.43Å; Y480-W483 VanDerWaalsContact CE1-CZ2 3.43Å; Y480-W483 HydrophobicContact CE1-CZ3 4.3Å; Y480-W483 WeakPolarHBondContact O-CB 3.38Å; Y480-W483 PolarHBondContact O-N 2.87Å; Y480-W483 VanDerWaalsContact O-N 3.16Å; K481-W483 VanDerWaalsContact C-N 3.32Å; W483-V492 HydrophobicContact CB-CG1 3.81Å; W483-V492 HydrophobicContact CD2-CG1 4.36Å; W483-V492 HydrophobicContact CE3-CB 4.19Å; W483-V492 HydrophobicContact CE3-CG1 3.66Å; W483-V492 HydrophobicContact CG-CG1 4.49Å; W483-A493 CarbonylContact C-O 3.59Å; W483-A493 VanDerWaalsContact CA-O 3.3Å; W483-A493 WeakPolarHBondContact CA-O 3.33Å
484G94.5Very high90.5Very high0 Ų063.5 Ų63.50%032%0.321CS..EExtended strand (participates in β ladder)trans-135.9-179.2-179.700000112D486 V492 A493G484-D486 PolarHBondContact O-N 3.34Å; G484-V492 WeakPolarHBondContact O-CA 3.47Å; G484-V492 WeakPolarHBondContact O-CG1 3.23Å; G484-A493 PolarHBondContact N-O 3.35Å; G484-A493 PolarHBondContact O-N 3.44Å; G484-A493 VanDerWaalsContact O-N 3.09Å
485L93.6Very high90.6Very high9 Ų958.2 Ų58.25%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-77.4118.7178.7-61.6178.3000111.2A409 P446 L449 L460 L464 L487A409-L485 WeakPolarHBondContact CB-O 3.32Å; A409-L485 PolarHBondContact O-N 2.93Å; P446-L485 HydrophobicContact CB-CD1 3.8Å; P446-L485 VanDerWaalsContact O-CD1 3.29Å; P446-L485 WeakPolarHBondContact O-CD1 3.44Å; L449-L485 HydrophobicContact CB-CD1 4.3Å; L460-L485 HydrophobicContact CB-CD2 4.04Å; L464-L485 HydrophobicContact CB-CD2 4.27Å; L464-L485 HydrophobicContact CD2-CD2 3.92Å; L464-L485 HydrophobicContact CD2-CG 3.94Å; L485-L487 HydrophobicContact CB-CD2 4.02Å
486D93Very high90.7Very high18 Ų1857 Ų5710%0.09628%0.282CS..EExtended strand (participates in β ladder)trans-93.3101.6163.7-173.8-13.6000108.9G484 N488 N489 Q490 Y491 A493 I498G484-D486 PolarHBondContact O-N 3.34Å; D486-N488 VanDerWaalsContact C-N 3.28Å; D486-N488 PolarHBondContact O-N 3.1Å; D486-N488 PolarHBondContact OD1-N 3.03Å; D486-N489 PolarHBondContact OD1-N 3.1Å; D486-N489 WeakPolarHBondContact OD2-CB 3.41Å; D486-N489 PolarHBondContact OD2-ND2 3.1Å; D486-Q490 WeakPolarHBondContact O-CA 3.42Å; D486-Q490 PolarHBondContact O-N 3.29Å; D486-Y491 WeakPolarHBondContact CB-O 3.46Å; D486-Y491 PolarHBondContact N-O 3.24Å; D486-Y491 PolarHBondContact O-N 2.86Å; D486-A493 HydrophobicContact CB-CB 4.25Å; D486-I498 HydrophobicContact CB-CD1 4.09Å
487L89.4Confident90.6Very high19 Ų1958 Ų5810%0.09928%0.282CS..THydrogen-bonded Turntrans-72.9-22.3-176.9-55.9-179.9000112.4P35 V36 L449 A453 L485P35-L487 HydrophobicContact CG-CD1 3.95Å; V36-L487 HydrophobicContact CG2-CD1 3.74Å; L449-L487 HydrophobicContact CB-CD1 4.33Å; A453-L487 HydrophobicContact CB-CB 4.16Å; A453-L487 HydrophobicContact CB-CD1 4.41Å; A453-L487 HydrophobicContact CB-CD2 4.04Å; A453-L487 HydrophobicContact CB-CG 4.42Å; L485-L487 HydrophobicContact CB-CD2 4.02Å
488N86.8Confident90.6Very high136 Ų13658.8 Ų58.873%0.72729%0.287SS*.THydrogen-bonded Turntrans-79.1-47180-66.7-25.6000111D486 Q490D486-N488 VanDerWaalsContact C-N 3.28Å; D486-N488 PolarHBondContact O-N 3.1Å; D486-N488 PolarHBondContact OD1-N 3.03Å; N488-Q490 VanDerWaalsContact C-N 3.32Å
489N88.1Confident90.7Very high123 Ų12357 Ų5766%0.65827%0.273SS*.THydrogen-bonded Turntrans-87.1-1.6179-66-46.3000113.5D486 Y491D486-N489 PolarHBondContact OD1-N 3.1Å; D486-N489 WeakPolarHBondContact OD2-CB 3.41Å; D486-N489 PolarHBondContact OD2-ND2 3.1Å; N489-Y491 PolarHBondContact O-N 2.86Å
490Q88.3Confident90.9Very high117 Ų11754.2 Ų54.255%0.54726%0.262SS..THydrogen-bonded Turntrans54.140.5-179.6-51.8-178.813.100112.4V455 L460 D486 N488V455-Q490 HydrophobicContact CG1-CB 4.22Å; V455-Q490 HydrophobicContact CG1-CG 4.31Å; V455-Q490 HydrophobicContact CG2-CG 3.91Å; L460-Q490 WeakPolarHBondContact CD2-O 3.36Å; D486-Q490 WeakPolarHBondContact O-CA 3.42Å; D486-Q490 PolarHBondContact O-N 3.29Å; N488-Q490 VanDerWaalsContact C-N 3.32Å
491Y90.4Very high91Very high124 Ų12451.8 Ų51.849%0.48625%0.253SS..EExtended strand (participates in β ladder)trans-142.2175.3-176.3-156.9-109.1000111.6R463 D486 N489R463-Y491 VanDerWaalsContact NH1-CD2 3.33Å; R463-Y491 VanDerWaalsContact NH1-CE2 3.27Å; D486-Y491 WeakPolarHBondContact CB-O 3.46Å; D486-Y491 PolarHBondContact N-O 3.24Å; D486-Y491 PolarHBondContact O-N 2.86Å; N489-Y491 PolarHBondContact O-N 2.86Å
492V92.3Very high91.2Very high3 Ų350.5 Ų50.52%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-100.4124.2173.6-175.10000108.1R463 L464 W483 G484R463-V492 HydrophobicContact CB-CG2 3.92Å; L464-V492 HydrophobicContact CB-CG2 4.24Å; L464-V492 HydrophobicContact CD1-CG1 3.72Å; W483-V492 HydrophobicContact CB-CG1 3.81Å; W483-V492 HydrophobicContact CD2-CG1 4.36Å; W483-V492 HydrophobicContact CE3-CB 4.19Å; W483-V492 HydrophobicContact CE3-CG1 3.66Å; W483-V492 HydrophobicContact CG-CG1 4.49Å; G484-V492 WeakPolarHBondContact O-CA 3.47Å; G484-V492 WeakPolarHBondContact O-CG1 3.23Å
493A93.1Very high91.2Very high24 Ų2449.9 Ų49.920%0.19825%0.245CC..EExtended strand (participates in β ladder)trans-137.9164.3-175.600000111.5W483 G484 D486 C495 I498W483-A493 CarbonylContact C-O 3.59Å; W483-A493 VanDerWaalsContact CA-O 3.3Å; W483-A493 WeakPolarHBondContact CA-O 3.33Å; G484-A493 PolarHBondContact N-O 3.35Å; G484-A493 PolarHBondContact O-N 3.44Å; G484-A493 VanDerWaalsContact O-N 3.09Å; D486-A493 HydrophobicContact CB-CB 4.25Å; A493-C495 PolarHBondContact O-N 3.27Å; A493-I498 HydrophobicContact CB-CD1 3.62Å; A493-I498 HydrophobicContact CB-CG1 4.33Å
494D93.2Very high91.2Very high24 Ų2447.8 Ų47.813%0.12824%0.238CC..EExtended strand (participates in β ladder)trans-71.4118.9-179.5-167.5-21.9000110.5W482 K496 E497 I498W482-D494 WeakPolarHBondContact CB-OD1 3.18Å; D494-K496 PolarHBondContact O-N 3.3Å; D494-K496 VanDerWaalsContact O-N 3.1Å; D494-K496 WeakPolarHBondContact OD1-CB 3.33Å; D494-K496 PolarHBondContact OD1-N 2.94Å; D494-E497 HydrophobicContact CB-CB 4.46Å; D494-E497 HydrophobicContact CB-CG 4.17Å; D494-E497 PolarHBondContact O-N 3.34Å; D494-I498 WeakPolarHBondContact O-CG1 3.5Å; D494-I498 PolarHBondContact O-N 2.89Å; D494-I498 VanDerWaalsContact O-N 3.13Å
495C91.5Very high91.1Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-59.5-22.3176.9-66.70000112.8P407 W482 A493 G499 V500P407-C495 HydrophobicContact CB-CB 3.85Å; W482-C495 VanDerWaalsContact O-CB 3.24Å; W482-C495 WeakPolarHBondContact O-CB 3.4Å; W482-C495 PolarHBondContact O-N 3.1Å; W482-C495 PolarHBondContact O-SG 2.85Å; A493-C495 PolarHBondContact O-N 3.27Å; C495-G499 WeakPolarHBondContact O-CA 3.43Å; C495-G499 PolarHBondContact O-N 2.9Å; C495-V500 PolarHBondContact O-N 3.13Å
496K87.9Confident91.2Very high84 Ų8449.2 Ų49.237%0.36525%0.247SC..Hα-helixtrans-69.3-37.7174.2-68179.4173.2173.70113W482 D494 F501W482-K496 HydrophobicContact CB-CG 4.45Å; W482-K496 HydrophobicContact CD2-CD 4.33Å; W482-K496 VanDerWaalsContact CD2-CE 3.41Å; W482-K496 HydrophobicContact CD2-CG 4.48Å; W482-K496 VanDerWaalsContact CE2-CE 3.45Å; W482-K496 HydrophobicContact CG-CD 4.17Å; W482-K496 HydrophobicContact CG-CG 4.41Å; D494-K496 PolarHBondContact O-N 3.3Å; D494-K496 VanDerWaalsContact O-N 3.1Å; D494-K496 WeakPolarHBondContact OD1-CB 3.33Å; D494-K496 PolarHBondContact OD1-N 2.94Å; K496-F501 HydrophobicContact CB-CZ 4.34Å; K496-F501 HydrophobicContact CG-CE1 4.28Å; K496-F501 HydrophobicContact CG-CZ 4.01Å
497E87.8Confident91.2Very high170 Ų17049 Ų4979%0.79425%0.246SC*.Hα-helixtrans-75.8-39.8178.5-65.2-175.5166.300110.5D494 G499D494-E497 HydrophobicContact CB-CB 4.46Å; D494-E497 HydrophobicContact CB-CG 4.17Å; D494-E497 PolarHBondContact O-N 3.34Å; E497-G499 VanDerWaalsContact C-N 3.31Å
498I89.1Confident91.5Very high68 Ų6849 Ų4935%0.34925%0.245SC..Hα-helixtrans-72.8-27.3177.2-52.6163.6000111.4D486 A493 D494 V500D486-I498 HydrophobicContact CB-CD1 4.09Å; A493-I498 HydrophobicContact CB-CD1 3.62Å; A493-I498 HydrophobicContact CB-CG1 4.33Å; D494-I498 WeakPolarHBondContact O-CG1 3.5Å; D494-I498 PolarHBondContact O-N 2.89Å; D494-I498 VanDerWaalsContact O-N 3.13Å; I498-V500 HydrophobicContact CB-CG2 4.08Å; I498-V500 HydrophobicContact CG2-CG2 3.57Å
499G88.9Confident91.9Very high7 Ų744.7 Ų44.77%0.07222%0.22CC..THydrogen-bonded Turntrans80.927.8-176.600000113.8N147 C495 E497N147-G499 WeakPolarHBondContact CB-O 3.06Å; C495-G499 WeakPolarHBondContact O-CA 3.43Å; C495-G499 PolarHBondContact O-N 2.9Å; E497-G499 VanDerWaalsContact C-N 3.31Å
500V93.3Very high92.2Very high33 Ų3339.3 Ų39.320%0.219%0.192CC..  trans-94.5104.6-179.6-173.40000110.2T151 G408 A409 C495 I498T151-V500 HydrophobicContact CG2-CG1 3.74Å; G408-V500 PolarHBondContact N-O 2.97Å; A409-V500 HydrophobicContact CB-CG1 4.24Å; C495-V500 PolarHBondContact O-N 3.13Å; I498-V500 HydrophobicContact CB-CG2 4.08Å; I498-V500 HydrophobicContact CG2-CG2 3.57Å
501F93.5Very high92.6Very high4 Ų434.1 Ų34.12%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-132.4144.1-176.7-65.4-70.6000111.7L140 N147 V148 T151 I405 V406 K496L140-F501 HydrophobicContact CD1-CE2 4Å; L140-F501 HydrophobicContact CD1-CZ 4.11Å; N147-F501 HydrophobicContact CB-CD2 4.21Å; V148-F501 HydrophobicContact CG2-CB 3.7Å; T151-F501 WeakPolarHBondContact CB-O 3.13Å; T151-F501 WeakPolarHBondContact CG2-O 3.3Å; T151-F501 PolarHBondContact OG1-N 2.94Å; T151-F501 PolarHBondContact OG1-O 3.47Å; I405-F501 HydrophobicContact CB-CB 4.38Å; I405-F501 HydrophobicContact CD1-CB 4.1Å; I405-F501 HydrophobicContact CD1-CD1 3.73Å; I405-F501 HydrophobicContact CD1-CD2 4.26Å; I405-F501 HydrophobicContact CD1-CE1 4.15Å; I405-F501 HydrophobicContact CD1-CG 3.78Å; I405-F501 HydrophobicContact CG1-CD1 4.29Å; V406-F501 WeakPolarHBondContact O-CA 3.38Å; K496-F501 HydrophobicContact CB-CZ 4.34Å; K496-F501 HydrophobicContact CG-CE1 4.28Å; K496-F501 HydrophobicContact CG-CZ 4.01Å
502E93.6Very high92.9Very high30 Ų3033.2 Ų33.214%0.1417%0.166CC..EExtended strand (participates in β ladder)trans-123153.5175.5-67.3-179-134.500110.6T151 I405 V406 G408 L504 K507T151-E502 HydrophobicContact CG2-CG 4.23Å; I405-E502 CarbonylContact C-O 3.58Å; I405-E502 VanDerWaalsContact CA-O 3.31Å; I405-E502 WeakPolarHBondContact CA-O 3.24Å; V406-E502 HydrophobicContact CG2-CB 4.2Å; V406-E502 WeakPolarHBondContact CG2-O 3.31Å; V406-E502 PolarHBondContact N-O 2.89Å; V406-E502 PolarHBondContact O-N 3.38Å; G408-E502 WeakPolarHBondContact CA-OE1 3.3Å; E502-L504 PolarHBondContact O-N 3.09Å; E502-K507 VanDerWaalsContact CD-CE 3.46Å; E502-K507 IonicContact OE1-NZ 3.96Å; E502-K507 PolarHBondContact OE1-NZ 2.84Å; E502-K507 WeakPolarHBondContact OE2-CE 3.39Å; E502-K507 IonicContact OE2-NZ 3.1Å; E502-K507 PolarHBondContact OE2-NZ 3.37Å
503P93.3Very high93.1Very high1 Ų135.3 Ų35.31%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-63.9135.6174.3-15.426.6000111.3V395 R398 V399 V505 S506V395-P503 HydrophobicContact CB-CG 4.38Å; V395-P503 HydrophobicContact CG1-CG 3.45Å; V395-P503 VanDerWaalsContact CG1-CG 3.45Å; R398-P503 HydrophobicContact CB-CB 4.3Å; V399-P503 HydrophobicContact CG2-CB 3.8Å; V399-P503 HydrophobicContact CG2-CG 3.72Å; P503-V505 PolarHBondContact O-N 3.01Å; P503-S506 WeakPolarHBondContact O-CB 3.46Å; P503-S506 PolarHBondContact O-N 3.19Å
504L94.2Very high93.3Very high9 Ų934.1 Ų34.15%0.04717%0.166CC..Hα-helixtrans-55.4-39.6174.5174.765.6000111.9I129 A134 R404 V406 E502 S506 K507 I508I129-L504 HydrophobicContact CG2-CD1 3.48Å; I129-L504 VanDerWaalsContact CG2-CD1 3.48Å; A134-L504 HydrophobicContact CB-CD1 4.42Å; A134-L504 HydrophobicContact CB-CD2 4.15Å; R404-L504 HydrophobicContact CB-CB 3.92Å; R404-L504 HydrophobicContact CB-CD2 3.69Å; R404-L504 HydrophobicContact CB-CG 4.46Å; R404-L504 HydrophobicContact CG-CD2 4.28Å; R404-L504 WeakPolarHBondContact O-CB 3.49Å; R404-L504 PolarHBondContact O-N 2.83Å; R404-L504 VanDerWaalsContact O-N 3.13Å; V406-L504 HydrophobicContact CG1-CB 4.15Å; V406-L504 HydrophobicContact CG1-CD1 3.55Å; V406-L504 HydrophobicContact CG1-CG 4.46Å; E502-L504 PolarHBondContact O-N 3.09Å; L504-S506 VanDerWaalsContact C-N 3.27Å; L504-S506 PolarHBondContact O-N 2.99Å; L504-K507 PolarHBondContact O-N 3.18Å; L504-I508 HydrophobicContact CD1-CD1 3.74Å; L504-I508 HydrophobicContact CD1-CG1 4.15Å; L504-I508 HydrophobicContact CD2-CD1 4.24Å; L504-I508 HydrophobicContact CG-CD1 3.67Å; L504-I508 HydrophobicContact CG-CG1 4.41Å; L504-I508 WeakPolarHBondContact O-CG1 3.48Å; L504-I508 PolarHBondContact O-N 3.27Å
505V92.9Very high93.5Very high39 Ų3933 Ų3324%0.23616%0.16CC..Hα-helixtrans-61-37.2-179.7-179.50000111.5P503 K509P503-V505 PolarHBondContact O-N 3.01Å; V505-K509 HydrophobicContact CG1-CD 4.09Å; V505-K509 HydrophobicContact CG1-CG 4.32Å; V505-K509 WeakPolarHBondContact O-CB 3.13Å; V505-K509 PolarHBondContact O-N 3.13Å
506S94.2Very high93.7Very high1 Ų137.5 Ų37.51%0.00718%0.181CC..Hα-helixtrans-60.3-57.1178.6-179.80000110.4P503 L504 I508 K509 S510P503-S506 WeakPolarHBondContact O-CB 3.46Å; P503-S506 PolarHBondContact O-N 3.19Å; L504-S506 VanDerWaalsContact C-N 3.27Å; L504-S506 PolarHBondContact O-N 2.99Å; S506-I508 PolarHBondContact O-N 3.37Å; S506-K509 PolarHBondContact O-N 3.37Å; S506-S510 WeakPolarHBondContact O-CB 3.13Å; S506-S510 PolarHBondContact O-N 3.38Å; S506-S510 PolarHBondContact O-OG 3.42Å
507K94.3Very high94.1Very high14 Ų1434 Ų346%0.06117%0.167CC..Hα-helixtrans-58.9-43.1-179.6-65.5-56.3-163.4-166.30113.3V406 E413 E502 L504 L511V406-K507 HydrophobicContact CG2-CG 3.68Å; E413-K507 WeakPolarHBondContact OE1-CE 3.37Å; E413-K507 IonicContact OE1-NZ 3.35Å; E413-K507 PolarHBondContact OE1-NZ 3.46Å; E413-K507 IonicContact OE2-NZ 3.95Å; E502-K507 VanDerWaalsContact CD-CE 3.46Å; E502-K507 IonicContact OE1-NZ 3.96Å; E502-K507 PolarHBondContact OE1-NZ 2.84Å; E502-K507 WeakPolarHBondContact OE2-CE 3.39Å; E502-K507 IonicContact OE2-NZ 3.1Å; E502-K507 PolarHBondContact OE2-NZ 3.37Å; L504-K507 PolarHBondContact O-N 3.18Å; K507-L511 WeakPolarHBondContact O-CB 3.39Å; K507-L511 WeakPolarHBondContact O-CG 3.45Å; K507-L511 PolarHBondContact O-N 3.26Å
508I95.2Very high94.5Very high17 Ų1725.9 Ų25.99%0.08713%0.129CC..Hα-helixtrans-64.8-46.9-179.2-65.9171.3000111Q130 L504 S506 K512Q130-I508 HydrophobicContact CG-CD1 3.6Å; L504-I508 HydrophobicContact CD1-CD1 3.74Å; L504-I508 HydrophobicContact CD1-CG1 4.15Å; L504-I508 HydrophobicContact CD2-CD1 4.24Å; L504-I508 HydrophobicContact CG-CD1 3.67Å; L504-I508 HydrophobicContact CG-CG1 4.41Å; L504-I508 WeakPolarHBondContact O-CG1 3.48Å; L504-I508 PolarHBondContact O-N 3.27Å; S506-I508 PolarHBondContact O-N 3.37Å; I508-K512 HydrophobicContact CG2-CD 4.23Å; I508-K512 WeakPolarHBondContact O-CG 3.29Å; I508-K512 PolarHBondContact O-N 3.01Å; I508-K512 VanDerWaalsContact O-N 3.17Å
509K95Very high94.8Very high47 Ų4722.7 Ų22.720%0.20411%0.113CC..Hα-helixtrans-67.2-44.9179.8-76.8-170.6179.9-177.70111E82 V83 V505 S506 L511 K512 F513E82-K509 HydrophobicContact CB-CD 4.36Å; E82-K509 PolarHBondContact O-NZ 3.3Å; E82-K509 VanDerWaalsContact O-NZ 3.12Å; E82-K509 IonicContact OE2-NZ 3.36Å; E82-K509 PolarHBondContact OE2-NZ 2.99Å; V83-K509 HydrophobicContact CG2-CB 3.97Å; V83-K509 HydrophobicContact CG2-CD 3.57Å; V83-K509 HydrophobicContact CG2-CG 4.35Å; V505-K509 HydrophobicContact CG1-CD 4.09Å; V505-K509 HydrophobicContact CG1-CG 4.32Å; V505-K509 WeakPolarHBondContact O-CB 3.13Å; V505-K509 PolarHBondContact O-N 3.13Å; S506-K509 PolarHBondContact O-N 3.37Å; K509-L511 VanDerWaalsContact C-N 3.31Å; K509-L511 PolarHBondContact O-N 3.43Å; K509-K512 PolarHBondContact O-N 3.19Å; K509-K512 VanDerWaalsContact O-N 3.15Å; K509-F513 HydrophobicContact CB-CD2 4.31Å; K509-F513 HydrophobicContact CB-CE2 4.03Å; K509-F513 HydrophobicContact CB-CZ 4.38Å; K509-F513 HydrophobicContact CD-CE2 4.32Å; K509-F513 HydrophobicContact CD-CZ 4.29Å; K509-F513 HydrophobicContact CG-CZ 4.47Å; K509-F513 WeakPolarHBondContact O-CB 3.45Å; K509-F513 VanDerWaalsContact O-CG 3.27Å; K509-F513 WeakPolarHBondContact O-CG 3.38Å; K509-F513 PolarHBondContact O-N 2.96Å
510S95.6Very high95.1Very high10 Ų1025.7 Ų25.77%0.0713%0.13CC..Hα-helixtrans-55.7-44.6176.7-60.70000112Q79 S506 A514Q79-S510 PolarHBondContact NE2-OG 3.35Å; S506-S510 WeakPolarHBondContact O-CB 3.13Å; S506-S510 PolarHBondContact O-N 3.38Å; S506-S510 PolarHBondContact O-OG 3.42Å; S510-A514 WeakPolarHBondContact O-CB 3.19Å; S510-A514 PolarHBondContact O-N 2.82Å
511L96Very high95.2Very high8 Ų824.3 Ų24.34%0.04212%0.122CC..Hα-helixtrans-63.3-45.2177.6-80.1167.5000112.7L93 I129 M442 K507 K509 T515L93-L511 HydrophobicContact CD2-CD2 3.65Å; I129-L511 HydrophobicContact CD1-CD1 3.35Å; M442-L511 HydrophobicContact CE-CD2 3.65Å; M442-L511 HydrophobicContact SD-CD2 3.48Å; M442-L511 WeakPolarHBondContact SD-CD2 3.29Å; K507-L511 WeakPolarHBondContact O-CB 3.39Å; K507-L511 WeakPolarHBondContact O-CG 3.45Å; K507-L511 PolarHBondContact O-N 3.26Å; K509-L511 VanDerWaalsContact C-N 3.31Å; K509-L511 PolarHBondContact O-N 3.43Å; L511-T515 VanDerWaalsContact O-CB 3.3Å; L511-T515 WeakPolarHBondContact O-CB 3.34Å; L511-T515 PolarHBondContact O-N 3.43Å; L511-T515 VanDerWaalsContact O-N 3.08Å; L511-T515 PolarHBondContact O-OG1 2.96Å
512K96.6Very high95.2Very high104 Ų10424.6 Ų24.645%0.45212%0.123SC..Hα-helixtrans-65.2-48.3179.2-72178.8179.3-176.40111.4I508 K509 T515 E516I508-K512 HydrophobicContact CG2-CD 4.23Å; I508-K512 WeakPolarHBondContact O-CG 3.29Å; I508-K512 PolarHBondContact O-N 3.01Å; I508-K512 VanDerWaalsContact O-N 3.17Å; K509-K512 PolarHBondContact O-N 3.19Å; K509-K512 VanDerWaalsContact O-N 3.15Å; K512-T515 PolarHBondContact O-N 2.88Å; K512-E516 WeakPolarHBondContact O-CG 3.45Å; K512-E516 PolarHBondContact O-N 3.44Å
513F96.9Very high95.1Very high47 Ų4731.5 Ų31.521%0.20615%0.148CC..Hα-helixtrans-66.1-44.3-177.8-64.1-20.4000111.9L75 L78 Q79 E82 V90 K509 T515 E516 A517L75-F513 HydrophobicContact CD1-CB 3.49Å; L75-F513 VanDerWaalsContact CD1-CB 3.49Å; L78-F513 HydrophobicContact CD2-CD1 4.46Å; L78-F513 HydrophobicContact CD2-CD2 4.43Å; L78-F513 HydrophobicContact CD2-CE1 4.29Å; L78-F513 HydrophobicContact CD2-CE2 4.27Å; L78-F513 HydrophobicContact CD2-CZ 4.2Å; L78-F513 HydrophobicContact CG-CE2 4.19Å; L78-F513 HydrophobicContact CG-CZ 4.36Å; Q79-F513 VanDerWaalsContact OE1-CD2 3.29Å; E82-F513 HydrophobicContact CB-CE2 4.21Å; E82-F513 HydrophobicContact CB-CZ 4.46Å; E82-F513 HydrophobicContact CG-CE2 4.47Å; E82-F513 HydrophobicContact CG-CZ 4.34Å; V90-F513 HydrophobicContact CG2-CB 4.23Å; K509-F513 HydrophobicContact CB-CD2 4.31Å; K509-F513 HydrophobicContact CB-CE2 4.03Å; K509-F513 HydrophobicContact CB-CZ 4.38Å; K509-F513 HydrophobicContact CD-CE2 4.32Å; K509-F513 HydrophobicContact CD-CZ 4.29Å; K509-F513 HydrophobicContact CG-CZ 4.47Å; K509-F513 WeakPolarHBondContact O-CB 3.45Å; K509-F513 VanDerWaalsContact O-CG 3.27Å; K509-F513 WeakPolarHBondContact O-CG 3.38Å; K509-F513 PolarHBondContact O-N 2.96Å; F513-T515 VanDerWaalsContact C-N 3.31Å; F513-T515 PolarHBondContact O-N 3.33Å; F513-E516 PolarHBondContact O-N 3.01Å; F513-A517 WeakPolarHBondContact O-CB 3.28Å; F513-A517 PolarHBondContact O-N 3.16Å
514A96.8Very high95.1Very high0 Ų033.8 Ų33.80%016%0.16CC..Hα-helixtrans-60.7-40.917500000112.1V90 L93 A94 L97 S510 A518V90-A514 HydrophobicContact CG2-CB 3.92Å; L93-A514 HydrophobicContact CB-CB 4.18Å; L93-A514 HydrophobicContact CD2-CB 3.93Å; L93-A514 HydrophobicContact CG-CB 4.02Å; A94-A514 HydrophobicContact CB-CB 4.08Å; L97-A514 HydrophobicContact CD1-CB 4.46Å; S510-A514 WeakPolarHBondContact O-CB 3.19Å; S510-A514 PolarHBondContact O-N 2.82Å; A514-A518 WeakPolarHBondContact O-CB 3.44Å; A514-A518 PolarHBondContact O-N 3.01Å
515T97.1Very high94.9Very high1 Ų138 Ų381%0.00618%0.182CC..Hα-helixtrans-66.3-45.9178.6-56.10000111.6C122 F438 L511 K512 F513 A518 I519C122-T515 HydrophobicContact CB-CG2 3.96Å; F438-T515 HydrophobicContact CE2-CG2 4.28Å; L511-T515 VanDerWaalsContact O-CB 3.3Å; L511-T515 WeakPolarHBondContact O-CB 3.34Å; L511-T515 PolarHBondContact O-N 3.43Å; L511-T515 VanDerWaalsContact O-N 3.08Å; L511-T515 PolarHBondContact O-OG1 2.96Å; K512-T515 PolarHBondContact O-N 2.88Å; F513-T515 VanDerWaalsContact C-N 3.31Å; F513-T515 PolarHBondContact O-N 3.33Å; T515-A518 PolarHBondContact O-N 2.86Å; T515-I519 HydrophobicContact CG2-CD1 3.77Å; T515-I519 HydrophobicContact CG2-CG1 4.41Å; T515-I519 WeakPolarHBondContact O-CB 3.42Å; T515-I519 VanDerWaalsContact O-CG1 3.23Å; T515-I519 WeakPolarHBondContact O-CG1 3.32Å; T515-I519 PolarHBondContact O-N 3.49Å
516E96.3Very high94.8Very high94 Ų9438.3 Ų38.344%0.43918%0.183SC..Hα-helixtrans-66.3-38.2178.7-72.3-5814200112.4K512 F513 I519 T520K512-E516 WeakPolarHBondContact O-CG 3.45Å; K512-E516 PolarHBondContact O-N 3.44Å; F513-E516 PolarHBondContact O-N 3.01Å; E516-I519 PolarHBondContact O-N 3.39Å; E516-T520 WeakPolarHBondContact O-CB 3.41Å; E516-T520 PolarHBondContact O-N 3.4Å; E516-T520 PolarHBondContact O-OG1 3.4Å
517A96.1Very high94.6Very high9 Ų940.3 Ų40.37%0.07419%0.193CC..Hα-helixtrans-62.7-46.2173.700000111.6I71 L75 F513 I519 T520 I521I71-A517 HydrophobicContact CG2-CB 4.39Å; L75-A517 HydrophobicContact CD1-CB 4.21Å; L75-A517 HydrophobicContact CD2-CB 3.75Å; L75-A517 HydrophobicContact CG-CB 4.46Å; F513-A517 WeakPolarHBondContact O-CB 3.28Å; F513-A517 PolarHBondContact O-N 3.16Å; A517-I519 PolarHBondContact O-N 3.09Å; A517-T520 PolarHBondContact O-N 3.41Å; A517-I521 WeakPolarHBondContact O-CG1 3.17Å; A517-I521 PolarHBondContact O-N 3.43Å; A517-I521 VanDerWaalsContact O-N 3.09Å
518A96.1Very high94.4Very high0 Ų043.5 Ų43.50%021%0.21CC..Hα-helixtrans-61.9-44.6176.700000111.8L97 L98 A514 T515 T520 I521 L522L97-A518 HydrophobicContact CB-CB 3.91Å; L97-A518 HydrophobicContact CD1-CB 4.33Å; L98-A518 HydrophobicContact CD2-CB 4.09Å; L98-A518 WeakPolarHBondContact CD2-O 3.49Å; L98-A518 HydrophobicContact CG-CB 4.09Å; A514-A518 WeakPolarHBondContact O-CB 3.44Å; A514-A518 PolarHBondContact O-N 3.01Å; T515-A518 PolarHBondContact O-N 2.86Å; A518-T520 VanDerWaalsContact C-N 3.34Å; A518-T520 PolarHBondContact O-N 3.09Å; A518-I521 PolarHBondContact O-N 2.92Å; A518-L522 WeakPolarHBondContact O-CB 3.45Å; A518-L522 WeakPolarHBondContact O-CG 3.29Å; A518-L522 PolarHBondContact O-N 3.35Å
519I95.7Very high94Very high2 Ų249.5 Ų49.51%0.0124%0.236CC..Hα-helixtrans-61-43.6176.8-71.3167.9000111.2I115 R119 T515 E516 A517 I521 L522 R523I115-I519 HydrophobicContact CD1-CG2 4.43Å; I115-I519 HydrophobicContact CG1-CG1 4.41Å; I115-I519 HydrophobicContact CG1-CG2 4.2Å; I115-I519 HydrophobicContact CG2-CD1 4.23Å; I115-I519 HydrophobicContact CG2-CG1 4.09Å; I115-I519 HydrophobicContact CG2-CG2 3.69Å; R119-I519 HydrophobicContact CG-CD1 3.55Å; T515-I519 HydrophobicContact CG2-CD1 3.77Å; T515-I519 HydrophobicContact CG2-CG1 4.41Å; T515-I519 WeakPolarHBondContact O-CB 3.42Å; T515-I519 VanDerWaalsContact O-CG1 3.23Å; T515-I519 WeakPolarHBondContact O-CG1 3.32Å; T515-I519 PolarHBondContact O-N 3.49Å; E516-I519 PolarHBondContact O-N 3.39Å; A517-I519 PolarHBondContact O-N 3.09Å; I519-I521 VanDerWaalsContact C-N 3.33Å; I519-I521 PolarHBondContact O-N 3.49Å; I519-L522 PolarHBondContact O-N 3.26Å; I519-R523 VanDerWaalsContact O-CG 3.3Å; I519-R523 WeakPolarHBondContact O-CG 3.26Å; I519-R523 PolarHBondContact O-N 3.06Å
520T95.2Very high93.6Very high70 Ų7053 Ų5343%0.42926%0.256SS..Hα-helixtrans-60.4-45.8-179.8-60.10000110.8I71 E516 A517 A518 R523I71-T520 HydrophobicContact CD1-CG2 4.44Å; E516-T520 WeakPolarHBondContact O-CB 3.41Å; E516-T520 PolarHBondContact O-N 3.4Å; E516-T520 PolarHBondContact O-OG1 3.4Å; A517-T520 PolarHBondContact O-N 3.41Å; A518-T520 VanDerWaalsContact C-N 3.34Å; A518-T520 PolarHBondContact O-N 3.09Å; T520-R523 PolarHBondContact O-N 3.01Å
521I94.8Very high93Very high3 Ų360 Ų602%0.01529%0.285CS..Hα-helixtrans-69-39178.9-67.6165.6000111.7N18 A68 I71 L72 L98 A517 A518 I519 R523 I524N18-I521 HydrophobicContact CB-CG2 3.73Å; A68-I521 HydrophobicContact CB-CD1 4.36Å; A68-I521 HydrophobicContact CB-CG1 4.41Å; A68-I521 HydrophobicContact CB-CG2 4.32Å; I71-I521 HydrophobicContact CB-CD1 4.29Å; I71-I521 HydrophobicContact CD1-CG1 3.88Å; I71-I521 HydrophobicContact CG2-CD1 4.07Å; I71-I521 HydrophobicContact CG2-CG1 4.32Å; L72-I521 HydrophobicContact CD2-CD1 4.44Å; L98-I521 HydrophobicContact CD1-CB 4.26Å; L98-I521 HydrophobicContact CD1-CD1 3.76Å; L98-I521 HydrophobicContact CD1-CG2 4.02Å; L98-I521 HydrophobicContact CD2-CB 3.92Å; L98-I521 HydrophobicContact CD2-CG2 3.8Å; A517-I521 WeakPolarHBondContact O-CG1 3.17Å; A517-I521 PolarHBondContact O-N 3.43Å; A517-I521 VanDerWaalsContact O-N 3.09Å; A518-I521 PolarHBondContact O-N 2.92Å; I519-I521 VanDerWaalsContact C-N 3.33Å; I519-I521 PolarHBondContact O-N 3.49Å; I521-R523 PolarHBondContact O-N 2.96Å; I521-I524 WeakPolarHBondContact O-CB 3.44Å; I521-I524 PolarHBondContact O-N 2.93Å
522L92.8Very high92.3Very high11 Ų1168.5 Ų68.56%0.05833%0.325CS..Hα-helixtrans-65-23.9178.5-75.7167.8000114L98 A101 I105 I115 Y118 A518 I519 I524L98-L522 HydrophobicContact CD2-CD1 4.4Å; L98-L522 HydrophobicContact CD2-CD2 4.12Å; L98-L522 HydrophobicContact CD2-CG 3.75Å; A101-L522 HydrophobicContact CB-CD1 3.64Å; A101-L522 HydrophobicContact CB-CD2 3.59Å; A101-L522 HydrophobicContact CB-CG 4.24Å; I105-L522 HydrophobicContact CD1-CD2 3.88Å; I115-L522 HydrophobicContact CD1-CB 4.49Å; I115-L522 HydrophobicContact CG1-CB 4.46Å; Y118-L522 HydrophobicContact CD2-CD1 4.46Å; Y118-L522 HydrophobicContact CE2-CD1 4.28Å; A518-L522 WeakPolarHBondContact O-CB 3.45Å; A518-L522 WeakPolarHBondContact O-CG 3.29Å; A518-L522 PolarHBondContact O-N 3.35Å; I519-L522 PolarHBondContact O-N 3.26Å; L522-I524 VanDerWaalsContact C-N 3.28Å
523R92.8Very high91.4Very high174 Ų17472.5 Ų72.566%0.65735%0.345SS*.THydrogen-bonded Turntrans-77.9-12.5177.7-71.9177.174.7-179.82.9113.5I115 I519 T520 I521 D525I115-R523 HydrophobicContact CD1-CG 3.51Å; I519-R523 VanDerWaalsContact O-CG 3.3Å; I519-R523 WeakPolarHBondContact O-CG 3.26Å; I519-R523 PolarHBondContact O-N 3.06Å; T520-R523 PolarHBondContact O-N 3.01Å; I521-R523 PolarHBondContact O-N 2.96Å; R523-D525 PolarHBondContact O-N 3.46Å
524I92.5Very high89.9Confident49 Ų4979.7 Ų79.725%0.25138%0.376SS..  trans-80112.1-178.6-55.4172.4000108.7V14 I521 L522V14-I524 HydrophobicContact CG1-CG2 3.94Å; I521-I524 WeakPolarHBondContact O-CB 3.44Å; I521-I524 PolarHBondContact O-N 2.93Å; L522-I524 VanDerWaalsContact C-N 3.28Å
525D90.3Very high88.3Confident97 Ų9787.9 Ų87.952%0.51941%0.414SS..  trans-102.9-29.7174.363.1-23.2000112.9S10 G11 R523S10-D525 CarbonylContact C-O 3.43Å; G11-D525 PolarHBondContact N-O 2.73Å; R523-D525 PolarHBondContact O-N 3.46Å
526D90.5Very high86.4Confident46 Ų4693.6 Ų93.625%0.24645%0.451CS..EExtended strand (participates in β ladder)trans-120.7137177.9-79.4-15.4000112.5R8 S10R8-D526 IonicContact CZ-OD2 3.53Å; R8-D526 VanDerWaalsContact CZ-OD2 3.24Å; R8-D526 IonicContact NE-OD1 2.71Å; R8-D526 IonicContact NE-OD2 2.71Å; R8-D526 PolarHBondContact NE-OD2 3.03Å; R8-D526 VanDerWaalsContact NE-OD2 3.1Å; R8-D526 IonicContact NH2-OD1 3.63Å; R8-D526 IonicContact NH2-OD2 2.63Å; R8-D526 PolarHBondContact NH2-OD2 3.3Å; S10-D526 WeakPolarHBondContact CA-OD1 3.5Å; S10-D526 WeakPolarHBondContact CB-OD1 3.34Å
527L90.2Very high84.7Confident43 Ų4396 Ų9623%0.22547%0.467CS..EExtended strand (participates in β ladder)trans-114.5118.7168.9-179.371.2000108.6R8 T9 V14 P67R8-L527 WeakPolarHBondContact CA-O 3.4Å; T9-L527 PolarHBondContact N-O 3.18Å; T9-L527 PolarHBondContact O-N 3.48Å; V14-L527 HydrophobicContact CG1-CB 3.95Å; V14-L527 HydrophobicContact CG2-CB 4Å; P67-L527 HydrophobicContact CG-CD1 4.23Å
528I90.2Very high82.7Confident82 Ų82104.7 Ų104.742%0.42151%0.506SS..EExtended strand (participates in β ladder)trans-114.4111.6179.1-58.8173.7000107.9L4 R8 L530L4-I528 HydrophobicContact CD2-CG2 4Å; R8-I528 HydrophobicContact CB-CG1 4.44Å; R8-I528 HydrophobicContact CG-CG1 4.07Å; I528-L530 HydrophobicContact CG2-CD2 4.15Å
529K86.5Confident80.5Confident143 Ų143111.3 Ų111.362%0.62254%0.541SS*.EExtended strand (participates in β ladder)trans-100.3108.8173.7-171.1174.9-177.3177.60108.9G6 E7G6-K529 CarbonylContact C-O 3.45Å; G6-K529 WeakPolarHBondContact CA-O 3.45Å; E7-K529 PolarHBondContact N-O 3.38Å; E7-K529 PolarHBondContact O-N 3.26Å
530L87.6Confident78.4Confident120 Ų120114.5 Ų114.563%0.62857%0.574SS**EExtended strand (participates in β ladder)trans-73.8142.6173.9-59.9175.7000109.5I528I528-L530 HydrophobicContact CG2-CD2 4.15Å
531K82.3Confident76.1Confident158 Ų158118 Ų11869%0.68759%0.591SS**PPolyproline II helixtrans-70.5138.7167.3-69.1178.6178.8-177.60108.2G5 E533G5-K531 WeakPolarHBondContact O-CB 3.07Å; G5-K531 WeakPolarHBondContact O-CG 3.26Å; G5-K531 PolarHBondContact O-N 3.36Å; K531-E533 PolarHBondContact O-N 3.31Å
532E81.1Confident73.6Confident186 Ų186127.3 Ų127.387%0.86963%0.634SS**PPolyproline II helixtrans-60128.9171.3-67.1178.3174.700108.9K534E532-K534 PolarHBondContact O-N 3.22Å
533E77.2Confident71.4Confident187 Ų187132.6 Ų132.687%0.87467%0.671SS**  trans-66115.4168.1-73.2-176.516900107.1K531 Q535K531-E533 PolarHBondContact O-N 3.31Å; E533-Q535 PolarHBondContact O-N 2.87Å
534K66.2Low69.2Low198 Ų198127.2 Ų127.286%0.86167%0.669SS**PPolyproline II helixtrans-59.7116.4167-70.7-172.5176-170.10106.6E532E532-K534 PolarHBondContact O-N 3.22Å
535Q63.2Low66.7Low173 Ų173140 Ų14081%0.80872%0.716SS**PPolyproline II helixtrans-54.2133.4164.7-76.3178.7-15.200106.9E533 D537E533-Q535 PolarHBondContact O-N 2.87Å; Q535-D537 PolarHBondContact O-N 3.2Å; Q535-D537 VanDerWaalsContact O-N 3.11Å
536P57.2Low65.5Low120 Ų120142.1 Ų142.178%0.77973%0.726SS**PPolyproline II helixtrans-55.5124.6174.722.2-30000107.1H538P536-H538 PolarHBondContact O-N 3.25Å
537D60.2Low64.2Low145 Ų145147.2 Ų147.278%0.77575%0.751SS**PPolyproline II helixtrans-51.1119.4171.2-70.1-42.7000106.1Q535 D539Q535-D537 PolarHBondContact O-N 3.2Å; Q535-D537 VanDerWaalsContact O-N 3.11Å; D537-D539 PolarHBondContact O-N 2.9Å
538H55Low62.8Low191 Ų191152.9 Ų152.988%0.88478%0.78SS**  trans-66.190.4165.6-114.5-65.2000104.5P536 G540P536-H538 PolarHBondContact O-N 3.25Å; H538-G540 PolarHBondContact O-N 3.18Å
539D50Low61.2Low140 Ų140157.1 Ų157.175%0.74980%0.802SS**  trans-54.399.3159.3-79.9-31.1000104.8D537 D541D537-D539 PolarHBondContact O-N 2.9Å; D539-D541 PolarHBondContact O-N 3.07Å
540G49.9Very low59.6Low68 Ų68158 Ų15870%0.70181%0.813SS**  trans-63.997169.300000105.6H538 E542H538-G540 PolarHBondContact O-N 3.18Å; G540-E542 PolarHBondContact O-N 2.81Å
541D47.7Very low57.7Low145 Ų145160.5 Ų160.578%0.77583%0.825SS**  trans-44112.5170.8-86.5-36.5000108.6D539 C543D539-D541 PolarHBondContact O-N 3.07Å; D541-C543 PolarHBondContact O-N 2.61Å
542E43.3Very low56Low197 Ų197160.7 Ų160.792%0.92184%0.835SS**  trans-57.683.3159.1-70-177.3148.500108.2G540 G544G540-E542 PolarHBondContact O-N 2.81Å; E542-G544 PolarHBondContact O-N 3.42Å
543C44.8Very low54Low123 Ų123158.8 Ų158.883%0.83183%0.832SS**  trans-83.594154.7-78.40000107.1D541D541-C543 PolarHBondContact O-N 2.61Å
544G47.1Very low52.1Low60 Ų60156.4 Ų156.462%0.61983%0.829SS**  trans-66.8153.4173.600000113.6E542E542-G544 PolarHBondContact O-N 3.42Å
545Y40.5Very low50.8Low317 Ų317152.6 Ų152.6100%1.24383%0.826SS**  trans68.20169.5-66.9-79000119

Retrieved 545 of 545 residues in 157.7 ms (Link to these results)

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