A0A3Q0KMZ6_SCHMA Loading...

Putative short chain dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KMZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 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
1M67.9Low89.2Confident205 Ų20591.9 Ų91.9100%1.0147%0.47SS*.  0151.60-75.4-178.7-101.600109E3 Q84M1-E3 PolarHBondContact O-N 2.67Å; M1-Q84 HydrophobicContact SD-CB 4.43Å; M1-Q84 PolarHBondContact SD-OE1 3.38Å
2S88.9Confident89.8Confident74 Ų7484.3 Ų84.352%0.51743%0.431SS..  trans-63.9130.4179.1-179.40000110.7T4S2-T4 WeakPolarHBondContact CB-O 3.28Å; S2-T4 PolarHBondContact O-N 3.36Å; S2-T4 PolarHBondContact OG-N 2.88Å; S2-T4 PolarHBondContact OG-O 3.41Å
3E94.1Very high90.4Very high53 Ų5377.8 Ų77.825%0.24840%0.398CS..SBendtrans-65.4-14.9175.6-65.2-172.8147.200112.7M1 C13 I14 Y275 S279 N281M1-E3 PolarHBondContact O-N 2.67Å; E3-C13 PolarHBondContact O-N 2.7Å; E3-I14 HydrophobicContact CB-CD1 4.07Å; E3-I14 HydrophobicContact CB-CG1 3.78Å; E3-I14 HydrophobicContact CG-CD1 4.18Å; E3-I14 HydrophobicContact CG-CG1 3.98Å; E3-Y275 HydrophobicContact CB-CE2 3.91Å; E3-Y275 WeakPolarHBondContact OE2-CE2 3.44Å; E3-Y275 VanDerWaalsContact OE2-CZ 3.29Å; E3-Y275 PolarHBondContact OE2-OH 3.18Å; E3-S279 PolarHBondContact OE1-OG 3.1Å; E3-S279 VanDerWaalsContact OE1-OG 3.08Å; E3-S279 PolarHBondContact OE2-OG 2.91Å; E3-N281 PolarHBondContact OE1-ND2 2.76Å
4T95.9Very high90.9Very high20 Ų2074 Ų7412%0.12338%0.379CS..EExtended strand (participates in β ladder)trans-142155.5-177.163.90000112.7S2 A11 Y275 C291S2-T4 WeakPolarHBondContact CB-O 3.28Å; S2-T4 PolarHBondContact O-N 3.36Å; S2-T4 PolarHBondContact OG-N 2.88Å; S2-T4 PolarHBondContact OG-O 3.41Å; T4-A11 WeakPolarHBondContact CA-O 3.43Å; T4-A11 WeakPolarHBondContact CB-O 3.28Å; T4-Y275 HydrophobicContact CG2-CD2 3.92Å; T4-Y275 HydrophobicContact CG2-CE2 3.97Å; T4-C291 HydrophobicContact CG2-CB 3.44Å; T4-C291 VanDerWaalsContact CG2-CB 3.44Å
5I94.5Very high91.2Very high75 Ų7572.5 Ų72.539%0.38538%0.378SS..EExtended strand (participates in β ladder)trans-128.7160.8168.963.8159.2000110.7K10 A11 C13 A81 C82I5-K10 CarbonylContact O-C 3.5Å; I5-K10 WeakPolarHBondContact O-CA 3.12Å; I5-A11 HydrophobicContact CG1-CB 4.01Å; I5-A11 PolarHBondContact N-O 3.16Å; I5-A11 VanDerWaalsContact N-O 3.09Å; I5-A11 PolarHBondContact O-N 3.36Å; I5-C13 VanDerWaalsContact CG2-SG 3.52Å; I5-A81 WeakPolarHBondContact CD1-O 3.27Å; I5-C82 HydrophobicContact CD1-CB 4.17Å
6G92.3Very high91.5Very high47 Ų4772.3 Ų72.349%0.48537%0.373SS..  trans99.4152.7177.400000113.3
7I85.3Confident91.9Very high146 Ų14673.8 Ų73.875%0.74937%0.372SS*.SBendtrans-95-62.7-175-60.2171.1000110
8W84.4Confident92.2Very high215 Ų21570 Ų7081%0.81435%0.354SS*.SBendtrans-84.3-42.3-175.3-58.9107.2000112.9N290W8-N290 PolarHBondContact O-ND2 2.98Å
9H88Confident92.6Very high93 Ų9370.8 Ų70.843%0.43136%0.359SS..SBendtrans-124.1111.4175.7-65.793.8000108I264 N290H9-I264 WeakPolarHBondContact NE2-CG2 3.45Å; H9-N290 WeakPolarHBondContact CA-OD1 3.26Å
10K94.2Very high92.8Very high70 Ų7070.6 Ų70.630%0.30438%0.375SS..PPolyproline II helixtrans-80.6135.4-179.3-71.1-171.7175.6-1720110.5I5 Q271 N290 C291I5-K10 CarbonylContact O-C 3.5Å; I5-K10 WeakPolarHBondContact O-CA 3.12Å; K10-Q271 WeakPolarHBondContact O-CB 3.34Å; K10-N290 WeakPolarHBondContact CD-O 3.3Å; K10-N290 PolarHBondContact N-OD1 2.95Å; K10-C291 HydrophobicContact CB-CB 4.03Å
11A95.8Very high93Very high13 Ų1370.6 Ų70.611%0.10737%0.372CS..EExtended strand (participates in β ladder)trans-100.514316800000109.9T4 I5 A81 Q271T4-A11 WeakPolarHBondContact CA-O 3.43Å; T4-A11 WeakPolarHBondContact CB-O 3.28Å; I5-A11 HydrophobicContact CG1-CB 4.01Å; I5-A11 PolarHBondContact N-O 3.16Å; I5-A11 VanDerWaalsContact N-O 3.09Å; I5-A11 PolarHBondContact O-N 3.36Å; A11-A81 HydrophobicContact CB-CB 3.73Å; A11-Q271 HydrophobicContact CB-CG 4.24Å
12C96.8Very high94.5Very high0 Ų061.3 Ų61.30%033%0.326CS..EExtended strand (participates in β ladder)trans-76.2123.2175.1177.50000109.1A81 L274C12-A81 WeakPolarHBondContact O-CB 3.22Å; C12-L274 HydrophobicContact CB-CB 4.37Å; C12-L274 HydrophobicContact CB-CD2 4.24Å; C12-L274 HydrophobicContact CB-CG 4.36Å
13C96.9Very high95Very high1 Ų157.8 Ų57.81%0.00730%0.302CS..  trans-1129.1-176.2-94.70000113.2E3 I5 S15 C82 Q84 V85E3-C13 PolarHBondContact O-N 2.7Å; I5-C13 VanDerWaalsContact CG2-SG 3.52Å; C13-S15 PolarHBondContact O-N 3.41Å; C13-C82 VanDerWaalsContact CA-SG 3.52Å; C13-C82 WeakPolarHBondContact CB-SG 3.39Å; C13-C82 WeakPolarHBondContact SG-CB 3.49Å; C13-C82 CovalentContact SG-SG 2.05Å; C13-C82 PolarHBondContact SG-SG 3.36Å; C13-Q84 HydrophobicContact CB-CG 4.47Å; C13-V85 WeakPolarHBondContact O-CG2 3.19Å
14I96.9Very high95.2Very high24 Ų2455.3 Ų55.312%0.12329%0.29CS..  trans-69.4118.9178.3-58.7166.5000109.3E3 K16 Y275 L278 S279E3-I14 HydrophobicContact CB-CD1 4.07Å; E3-I14 HydrophobicContact CB-CG1 3.78Å; E3-I14 HydrophobicContact CG-CD1 4.18Å; E3-I14 HydrophobicContact CG-CG1 3.98Å; I14-K16 HydrophobicContact CG2-CB 3.98Å; I14-K16 PolarHBondContact O-N 2.97Å; I14-Y275 HydrophobicContact CD1-CD2 3.89Å; I14-Y275 HydrophobicContact CD1-CE2 4.03Å; I14-L278 HydrophobicContact CB-CB 4.01Å; I14-L278 HydrophobicContact CB-CD1 4.29Å; I14-L278 HydrophobicContact CD1-CB 4.12Å; I14-L278 HydrophobicContact CG2-CB 3.79Å; I14-S279 VanDerWaalsContact CD1-CA 3.5Å
15S95.8Very high95.4Very high52 Ų5254.3 Ų54.336%0.36428%0.284SS..  trans-93.888176.4-163.40000109.9C13 Q84 S87 S88C13-S15 PolarHBondContact O-N 3.41Å; S15-Q84 WeakPolarHBondContact CB-O 3.29Å; S15-Q84 PolarHBondContact OG-O 2.99Å; S15-S87 PolarHBondContact OG-OG 3.45Å; S15-S87 VanDerWaalsContact OG-OG 3.05Å; S15-S88 WeakPolarHBondContact OG-CB 3.41Å
16K96.5Very high95.6Very high69 Ų6950.8 Ų50.830%0.327%0.266SS..  trans-135.9128.9-177.8-176.3171.3-171.2165.20109.8I14 R43 L278 D280I14-K16 HydrophobicContact CG2-CB 3.98Å; I14-K16 PolarHBondContact O-N 2.97Å; K16-R43 WeakPolarHBondContact O-CD 3.43Å; K16-L278 HydrophobicContact CB-CD2 4.26Å; K16-D280 IonicContact NZ-OD1 2.77Å; K16-D280 PolarHBondContact NZ-OD1 3.46Å; K16-D280 IonicContact NZ-OD2 3.4Å; K16-D280 PolarHBondContact NZ-OD2 3.3Å
17R98Very high95.7Very high97 Ų9749.4 Ų49.437%0.36625%0.252SS..  trans-82.6155.3172.7-64.3-166.464.286.17.7111D19 S90R17-D19 WeakPolarHBondContact CB-OD2 3.14Å; R17-D19 WeakPolarHBondContact CD-OD2 3.43Å; R17-D19 IonicContact CZ-OD1 3.39Å; R17-D19 IonicContact CZ-OD2 2.74Å; R17-D19 IonicContact NE-OD1 3.35Å; R17-D19 PolarHBondContact NE-OD1 2.97Å; R17-D19 IonicContact NE-OD2 2.95Å; R17-D19 PolarHBondContact NE-OD2 3.26Å; R17-D19 IonicContact NH2-OD1 2.71Å; R17-D19 PolarHBondContact NH2-OD1 3.44Å; R17-D19 IonicContact NH2-OD2 2.76Å; R17-S90 PolarHBondContact NH2-OG 3.02Å
18L98.3Very high96.3Very high6 Ų642.5 Ų42.53%0.03122%0.216CC..  trans-124.726.5-177.7-60.6179000111K21 L40 R43 G44 A45 F126 V277 L278L18-K21 HydrophobicContact CB-CB 4.32Å; L18-K21 HydrophobicContact CB-CG 4.39Å; L18-K21 VanDerWaalsContact O-CB 3.24Å; L18-K21 WeakPolarHBondContact O-CB 3.47Å; L18-K21 WeakPolarHBondContact O-CG 3.29Å; L18-K21 PolarHBondContact O-N 3.38Å; L18-L40 HydrophobicContact CD1-CB 4.43Å; L18-L40 HydrophobicContact CD1-CD2 3.57Å; L18-R43 HydrophobicContact CB-CB 4.23Å; L18-R43 HydrophobicContact CD1-CB 4.12Å; L18-R43 HydrophobicContact CG-CB 4.02Å; L18-R43 PolarHBondContact N-O 3.16Å; L18-G44 CarbonylContact O-C 3.48Å; L18-A45 HydrophobicContact CB-CB 3.81Å; L18-A45 HydrophobicContact CD1-CB 4.22Å; L18-A45 WeakPolarHBondContact O-CA 3.13Å; L18-A45 PolarHBondContact O-N 3.39Å; L18-F126 HydrophobicContact CD1-CE2 4.5Å; L18-F126 HydrophobicContact CD2-CE2 3.93Å; L18-F126 HydrophobicContact CD2-CZ 3.87Å; L18-V277 HydrophobicContact CD1-CG1 4.12Å; L18-L278 HydrophobicContact CD1-CD2 4.16Å; L18-L278 HydrophobicContact CD2-CD2 3.97Å; L18-L278 HydrophobicContact CG-CD2 4.17Å
19D98Very high96.7Very high86 Ų8633.6 Ų33.646%0.4619%0.185SC..THydrogen-bonded Turntrans-57.2140.6177.5-54-61.7000110.8R17 K21 G44R17-D19 WeakPolarHBondContact CB-OD2 3.14Å; R17-D19 WeakPolarHBondContact CD-OD2 3.43Å; R17-D19 IonicContact CZ-OD1 3.39Å; R17-D19 IonicContact CZ-OD2 2.74Å; R17-D19 IonicContact NE-OD1 3.35Å; R17-D19 PolarHBondContact NE-OD1 2.97Å; R17-D19 IonicContact NE-OD2 2.95Å; R17-D19 PolarHBondContact NE-OD2 3.26Å; R17-D19 IonicContact NH2-OD1 2.71Å; R17-D19 PolarHBondContact NH2-OD1 3.44Å; R17-D19 IonicContact NH2-OD2 2.76Å; D19-K21 PolarHBondContact O-N 2.84Å; D19-K21 VanDerWaalsContact O-N 3.13Å; D19-G44 WeakPolarHBondContact OD1-CA 3.37Å
20G97.1Very high97Very high66 Ų6631.9 Ų31.968%0.6818%0.181SC*.THydrogen-bonded Turntrans71.3-3.5-175.700000114.8
21K98.3Very high96.8Very high70 Ų7029.4 Ų29.430%0.30418%0.176SC..  trans-89.5142.3179.2-53.1-64.4168.6-173.60111.7L18 D19 A45 R46 H125 F126L18-K21 HydrophobicContact CB-CB 4.32Å; L18-K21 HydrophobicContact CB-CG 4.39Å; L18-K21 VanDerWaalsContact O-CB 3.24Å; L18-K21 WeakPolarHBondContact O-CB 3.47Å; L18-K21 WeakPolarHBondContact O-CG 3.29Å; L18-K21 PolarHBondContact O-N 3.38Å; D19-K21 PolarHBondContact O-N 2.84Å; D19-K21 VanDerWaalsContact O-N 3.13Å; K21-A45 WeakPolarHBondContact O-CA 3.38Å; K21-R46 PolarHBondContact O-N 3.45Å; K21-H125 HydrophobicContact CB-CB 4.22Å; K21-H125 HydrophobicContact CD-CB 4.06Å; K21-H125 WeakPolarHBondContact CD-CD2 3.3Å; K21-H125 VanDerWaalsContact CD-CG 3.49Å; K21-H125 WeakPolarHBondContact CD-NE2 3.34Å; K21-H125 PolarHBondContact NZ-CD2 3.48Å; K21-H125 VanDerWaalsContact NZ-CD2 3.35Å; K21-H125 PolarHBondContact NZ-NE2 2.87Å; K21-F126 HydrophobicContact CB-CD2 4.38Å; K21-F126 HydrophobicContact CB-CE2 3.82Å; K21-F126 HydrophobicContact CG-CE2 4.17Å
22L98.8Very high96.7Very high11 Ų1129.5 Ų29.56%0.05817%0.174CC..EExtended strand (participates in β ladder)trans-110.1130.7175-172.469.8000110R46 I48 Y121 E123 L124 H125 F126L22-R46 WeakPolarHBondContact CA-O 3.24Å; L22-R46 HydrophobicContact CD1-CB 3.74Å; L22-I48 HydrophobicContact CD1-CD1 4.03Å; L22-I48 HydrophobicContact CD1-CG1 4.19Å; L22-I48 HydrophobicContact CD2-CD1 3.91Å; L22-I48 HydrophobicContact CG-CD1 4.14Å; L22-Y121 HydrophobicContact CD1-CD1 4.47Å; L22-Y121 HydrophobicContact CD1-CE1 4.36Å; L22-Y121 HydrophobicContact CD2-CD1 3.58Å; L22-Y121 HydrophobicContact CD2-CD2 4.19Å; L22-Y121 HydrophobicContact CD2-CE1 4.19Å; L22-Y121 HydrophobicContact CD2-CG 3.58Å; L22-E123 WeakPolarHBondContact CD2-O 3.5Å; L22-L124 HydrophobicContact CG-CD1 4.49Å; L22-H125 PolarHBondContact N-ND1 3.44Å; L22-H125 WeakPolarHBondContact O-CB 3.44Å; L22-H125 PolarHBondContact O-N 2.8Å; L22-F126 PolarHBondContact O-N 3.23Å; L22-F126 VanDerWaalsContact O-N 3.14Å
23A98.9Very high96.7Very high0 Ų029.5 Ų29.50%017%0.174CC..EExtended strand (participates in β ladder)trans-122.6143.7176.300000111.6L40 R46 V47 I48 F126 I128A23-L40 HydrophobicContact CB-CD1 3.76Å; A23-R46 PolarHBondContact N-O 3.4Å; A23-V47 CarbonylContact O-C 3.51Å; A23-V47 WeakPolarHBondContact O-CA 3.21Å; A23-I48 PolarHBondContact O-N 3.41Å; A23-F126 CarbonylContact C-O 3.53Å; A23-F126 VanDerWaalsContact CA-O 3.26Å; A23-F126 WeakPolarHBondContact CA-O 3.26Å; A23-F126 HydrophobicContact CB-CB 3.85Å; A23-F126 HydrophobicContact CB-CD2 4.29Å; A23-I128 HydrophobicContact CB-CD1 4.1Å
24I98.9Very high96.7Very high0 Ų030.3 Ų30.30%018%0.178CC..EExtended strand (participates in β ladder)trans-107.4126.8163.6-68.9168.6000108I48 A50 F113 I117 L124 F126 L127 I128 L163I24-I48 HydrophobicContact CD1-CD1 4.29Å; I24-I48 HydrophobicContact CG1-CB 3.88Å; I24-I48 HydrophobicContact CG1-CD1 3.72Å; I24-I48 HydrophobicContact CG1-CG1 4.41Å; I24-I48 HydrophobicContact CG1-CG2 4.22Å; I24-A50 HydrophobicContact CG2-CB 4.07Å; I24-F113 HydrophobicContact CD1-CE1 4.06Å; I24-F113 HydrophobicContact CD1-CZ 4.03Å; I24-F113 HydrophobicContact CG1-CZ 4.4Å; I24-F113 HydrophobicContact CG2-CE1 4.39Å; I24-F113 HydrophobicContact CG2-CZ 3.98Å; I24-I117 HydrophobicContact CD1-CG1 4.35Å; I24-I117 HydrophobicContact CD1-CG2 4.1Å; I24-L124 HydrophobicContact CB-CD1 4.28Å; I24-L124 HydrophobicContact CD1-CD1 3.79Å; I24-L124 HydrophobicContact CD1-CD2 3.62Å; I24-L124 HydrophobicContact CD1-CG 4.37Å; I24-L124 HydrophobicContact CG1-CD1 3.71Å; I24-L124 HydrophobicContact CG1-CD2 4.42Å; I24-F126 PolarHBondContact N-O 2.82Å; I24-L127 HydrophobicContact CB-CD1 4.03Å; I24-L127 HydrophobicContact CG2-CD1 3.94Å; I24-I128 WeakPolarHBondContact O-CD1 3.1Å; I24-I128 PolarHBondContact O-N 3.4Å; I24-L163 HydrophobicContact CD1-CD1 3.86Å; I24-L163 HydrophobicContact CD1-CD2 4.45Å
25V98.9Very high96.7Very high0 Ų030.1 Ų30.10%018%0.178CC..EExtended strand (participates in β ladder)trans-118.2114.6172.3-174.50000108.7S28 T36 L40 V47 I48 A50 I128 N130V25-S28 PolarHBondContact O-OG 2.98Å; V25-T36 HydrophobicContact CG1-CG2 4.35Å; V25-T36 HydrophobicContact CG2-CG2 4.11Å; V25-L40 HydrophobicContact CG2-CD1 4.06Å; V25-V47 HydrophobicContact CB-CG1 4.47Å; V25-V47 HydrophobicContact CG2-CG1 3.83Å; V25-I48 PolarHBondContact N-O 3.15Å; V25-A50 PolarHBondContact O-N 2.98Å; V25-A50 VanDerWaalsContact O-N 3.1Å; V25-I128 HydrophobicContact CG1-CB 4.39Å; V25-I128 HydrophobicContact CG1-CG2 4.47Å; V25-I128 HydrophobicContact CG2-CB 4.2Å; V25-I128 HydrophobicContact CG2-CD1 3.94Å; V25-I128 HydrophobicContact CG2-CG1 4.26Å; V25-N130 HydrophobicContact CG1-CB 4.27Å
26T98.8Very high96.8Very high0 Ų027.8 Ų27.80%016%0.162CC..EExtended strand (participates in β ladder)trans-76.4139.2176.766.30000110.9L102 I128 N130 A131 H156 L159T26-L102 HydrophobicContact CG2-CD2 3.78Å; T26-I128 PolarHBondContact N-O 3.03Å; T26-I128 VanDerWaalsContact N-O 3.09Å; T26-I128 PolarHBondContact OG1-O 3.21Å; T26-N130 WeakPolarHBondContact O-CB 3.4Å; T26-N130 PolarHBondContact O-ND2 2.87Å; T26-N130 PolarHBondContact OG1-N 3.45Å; T26-A131 PolarHBondContact O-N 3.38Å; T26-A131 WeakPolarHBondContact OG1-CB 3.5Å; T26-A131 PolarHBondContact OG1-N 3.11Å; T26-H156 PolarHBondContact OG1-NE2 3.35Å; T26-L159 HydrophobicContact CG2-CD2 3.59Å
27G96.2Very high96.9Very high19 Ų1924.5 Ų24.520%0.19615%0.148CC..THydrogen-bonded Turntrans66.64017700000113.1N29 A50G27-N29 PolarHBondContact O-N 2.77Å; G27-A50 PolarHBondContact N-O 2.91Å
28S96.6Very high96.9Very high0 Ų019.9 Ų19.90%013%0.13CC..THydrogen-bonded Turntrans-91.919.7-171.867.50000114.8V25 L34 M49 C51V25-S28 PolarHBondContact O-OG 2.98Å; S28-L34 WeakPolarHBondContact O-CA 3.31Å; S28-L34 VanDerWaalsContact O-CD1 3.24Å; S28-L34 WeakPolarHBondContact O-CD1 3.33Å; S28-M49 WeakPolarHBondContact O-CE 3.32Å; S28-M49 WeakPolarHBondContact OG-CA 3.33Å; S28-M49 WeakPolarHBondContact OG-CB 3.44Å; S28-C51 PolarHBondContact OG-SG 2.89Å
29N94.1Very high96.9Very high28 Ų2819.8 Ų19.815%0.1513%0.129CC..THydrogen-bonded Turntrans-91.5-13.1176.867.8-59.2000113.2G27 A57 A60 R63G27-N29 PolarHBondContact O-N 2.77Å; N29-A57 HydrophobicContact CB-CB 4.44Å; N29-A60 HydrophobicContact CB-CB 4.21Å; N29-A60 WeakPolarHBondContact O-CB 2.67Å; N29-R63 PolarHBondContact O-NH2 3.17Å
30T92.6Very high97Very high57 Ų5715.7 Ų15.735%0.3511%0.108SC..SBendtrans-147.5170.3176.466.70000112.1L34T30-L34 PolarHBondContact O-N 2.95Å; T30-L34 VanDerWaalsContact O-N 3.1Å
31G91.3Very high97Very high19 Ų1912.6 Ų12.620%0.1968%0.075CC..Hα-helixtrans56.6-140.1166.400000114.6G33 L34 V35G31-G33 VanDerWaalsContact C-N 3.33Å; G31-G33 PolarHBondContact O-N 3.4Å; G31-L34 PolarHBondContact O-N 3.44Å; G31-V35 PolarHBondContact O-N 3.4Å
32I93.1Very high97Very high14 Ų149.3 Ų9.37%0.0726%0.061CC..Hα-helixtrans-62.2-40.6-176.7-60.4167.8000111.1L34 V35 T36 N130 P236 V239 T241 V270I32-L34 PolarHBondContact O-N 3.36Å; I32-V35 PolarHBondContact O-N 2.87Å; I32-T36 WeakPolarHBondContact O-CB 3.08Å; I32-T36 PolarHBondContact O-N 2.79Å; I32-T36 PolarHBondContact O-OG1 3.39Å; I32-N130 WeakPolarHBondContact CG2-OD1 3.37Å; I32-P236 HydrophobicContact CD1-CB 3.72Å; I32-P236 HydrophobicContact CD1-CG 3.58Å; I32-V239 HydrophobicContact CD1-CB 3.98Å; I32-V239 HydrophobicContact CD1-CG1 4.2Å; I32-V239 HydrophobicContact CD1-CG2 3.77Å; I32-V239 HydrophobicContact CG1-CB 4.26Å; I32-V239 HydrophobicContact CG1-CG1 3.9Å; I32-V239 HydrophobicContact CG1-CG2 4.21Å; I32-T241 HydrophobicContact CD1-CG2 4.18Å; I32-T241 HydrophobicContact CG1-CG2 4.13Å; I32-V270 HydrophobicContact CG2-CG2 3.77Å; I32-V270 WeakPolarHBondContact O-CG2 3.31Å
33G96Very high97Very high0 Ų08.9 Ų8.90%06%0.059CC..Hα-helixtrans-62.2-43.3179.600000112.5G31 T36 A37 N130G31-G33 VanDerWaalsContact C-N 3.33Å; G31-G33 PolarHBondContact O-N 3.4Å; G33-T36 PolarHBondContact O-N 2.95Å; G33-A37 PolarHBondContact O-N 3.35Å; G33-N130 WeakPolarHBondContact CA-ND2 3.44Å; G33-N130 PolarHBondContact N-ND2 2.9Å; G33-N130 PolarHBondContact N-OD1 3.24Å
34L97.1Very high97Very high18 Ų189.3 Ų9.39%0.0946%0.064CC..Hα-helixtrans-62.2-45.8177.2-17962.3000111.9S28 T30 G31 I32 T36 A37 S38 M49 A60 L64S28-L34 WeakPolarHBondContact O-CA 3.31Å; S28-L34 VanDerWaalsContact O-CD1 3.24Å; S28-L34 WeakPolarHBondContact O-CD1 3.33Å; T30-L34 PolarHBondContact O-N 2.95Å; T30-L34 VanDerWaalsContact O-N 3.1Å; G31-L34 PolarHBondContact O-N 3.44Å; I32-L34 PolarHBondContact O-N 3.36Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-A37 PolarHBondContact O-N 3.48Å; L34-S38 PolarHBondContact O-N 3.17Å; L34-M49 HydrophobicContact CD1-CE 3.9Å; L34-A60 HydrophobicContact CD1-CB 3.72Å; L34-A60 HydrophobicContact CD2-CB 4.37Å; L34-L64 HydrophobicContact CD1-CD1 3.63Å; L34-L64 HydrophobicContact CD1-CD2 3.96Å; L34-L64 HydrophobicContact CD1-CG 3.73Å; L34-L64 HydrophobicContact CG-CD1 4.5Å; L34-L64 HydrophobicContact CG-CD2 4.07Å; L34-L64 HydrophobicContact CG-CG 4.4Å
35V97.4Very high97Very high20 Ų209.3 Ų9.312%0.1216%0.064CC..Hα-helixtrans-70.7-31.8179.2-176.30000111.5G31 I32 S38 E39 P266 W267 V270G31-V35 PolarHBondContact O-N 3.4Å; I32-V35 PolarHBondContact O-N 2.87Å; V35-S38 WeakPolarHBondContact CA-OG 3.3Å; V35-S38 PolarHBondContact O-N 2.84Å; V35-S38 PolarHBondContact O-OG 2.92Å; V35-E39 HydrophobicContact CG1-CG 4.18Å; V35-E39 WeakPolarHBondContact O-CB 3.35Å; V35-E39 WeakPolarHBondContact O-CG 3.41Å; V35-E39 PolarHBondContact O-N 3.38Å; V35-P266 HydrophobicContact CG2-CB 3.78Å; V35-W267 HydrophobicContact CG1-CB 4.18Å; V35-W267 HydrophobicContact CG1-CG 4.45Å; V35-V270 HydrophobicContact CB-CG2 3.83Å; V35-V270 HydrophobicContact CG1-CB 4.17Å; V35-V270 HydrophobicContact CG1-CG1 4.36Å; V35-V270 HydrophobicContact CG1-CG2 3.95Å
36T98.4Very high97Very high4 Ų414.4 Ų14.43%0.0258%0.083CC..Hα-helixtrans-62.7-48.3173.3-57.10000109.2V25 I32 G33 L34 S38 E39 L40 I128 V270 T273V25-T36 HydrophobicContact CG1-CG2 4.35Å; V25-T36 HydrophobicContact CG2-CG2 4.11Å; I32-T36 WeakPolarHBondContact O-CB 3.08Å; I32-T36 PolarHBondContact O-N 2.79Å; I32-T36 PolarHBondContact O-OG1 3.39Å; G33-T36 PolarHBondContact O-N 2.95Å; L34-T36 VanDerWaalsContact C-N 3.32Å; T36-S38 VanDerWaalsContact C-N 3.31Å; T36-S38 PolarHBondContact O-N 2.98Å; T36-E39 PolarHBondContact O-N 3.07Å; T36-L40 HydrophobicContact CG2-CD1 4.08Å; T36-L40 HydrophobicContact CG2-CG 4.36Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.44Å; T36-L40 PolarHBondContact O-N 2.98Å; T36-I128 HydrophobicContact CG2-CG1 4.39Å; T36-I128 HydrophobicContact CG2-CG2 4.35Å; T36-V270 VanDerWaalsContact OG1-CG2 3.3Å; T36-V270 WeakPolarHBondContact OG1-CG2 3.37Å; T36-T273 HydrophobicContact CG2-CG2 3.95Å
37A98.7Very high97Very high0 Ų014.4 Ų14.40%08%0.083CC..Hα-helixtrans-57.9-42.417700000112.4G33 L34 A41 V47 M49G33-A37 PolarHBondContact O-N 3.35Å; L34-A37 PolarHBondContact O-N 3.48Å; A37-A41 VanDerWaalsContact O-CB 3.31Å; A37-A41 WeakPolarHBondContact O-CB 3.29Å; A37-A41 PolarHBondContact O-N 3.43Å; A37-V47 HydrophobicContact CB-CG1 3.78Å; A37-M49 HydrophobicContact CB-CG 4.33Å
38S98.3Very high97.1Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-66.7-43.7176.364.90000113.1L34 V35 T36 L40 A41 R42L34-S38 PolarHBondContact O-N 3.17Å; V35-S38 WeakPolarHBondContact CA-OG 3.3Å; V35-S38 PolarHBondContact O-N 2.84Å; V35-S38 PolarHBondContact O-OG 2.92Å; T36-S38 VanDerWaalsContact C-N 3.31Å; T36-S38 PolarHBondContact O-N 2.98Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 3.31Å; S38-A41 PolarHBondContact O-N 3.39Å; S38-R42 WeakPolarHBondContact O-CB 3.28Å; S38-R42 WeakPolarHBondContact O-CG 3.02Å; S38-R42 PolarHBondContact O-N 3.35Å
39E98.3Very high97.2Very high3 Ų313.5 Ų13.51%0.0147%0.074CC..Hα-helixtrans-65.9-33.1-178.8-74.7-60.5125.500112.8V35 T36 R42 R43 V270 L274V35-E39 HydrophobicContact CG1-CG 4.18Å; V35-E39 WeakPolarHBondContact O-CB 3.35Å; V35-E39 WeakPolarHBondContact O-CG 3.41Å; V35-E39 PolarHBondContact O-N 3.38Å; T36-E39 PolarHBondContact O-N 3.07Å; E39-R42 IonicContact OE1-CZ 2.95Å; E39-R42 IonicContact OE1-NH1 3.61Å; E39-R42 PolarHBondContact OE1-NH1 3.01Å; E39-R43 PolarHBondContact O-NH1 3.45Å; E39-R43 IonicContact OE2-CZ 3.86Å; E39-R43 IonicContact OE2-NH1 3.17Å; E39-R43 PolarHBondContact OE2-NH1 3.16Å; E39-R43 IonicContact OE2-NH2 2.64Å; E39-V270 HydrophobicContact CB-CG1 4.38Å; E39-V270 HydrophobicContact CG-CG1 3.94Å; E39-L274 HydrophobicContact CB-CD1 4.2Å; E39-L274 HydrophobicContact CB-CD2 4.48Å
40L98.8Very high97.4Very high1 Ų112.2 Ų12.21%0.0057%0.067CC..Hα-helixtrans-71.7-46.6173.3-62.6-179.1000111.5L18 A23 V25 T36 S38 R42 R43 G44 A45 V47 I128 V277L18-L40 HydrophobicContact CD1-CB 4.43Å; L18-L40 HydrophobicContact CD1-CD2 3.57Å; A23-L40 HydrophobicContact CB-CD1 3.76Å; V25-L40 HydrophobicContact CG2-CD1 4.06Å; T36-L40 HydrophobicContact CG2-CD1 4.08Å; T36-L40 HydrophobicContact CG2-CG 4.36Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.44Å; T36-L40 PolarHBondContact O-N 2.98Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 3.31Å; L40-R42 PolarHBondContact O-N 3.18Å; L40-R43 PolarHBondContact O-N 3.07Å; L40-G44 PolarHBondContact O-N 2.61Å; L40-A45 HydrophobicContact CB-CB 4.16Å; L40-A45 WeakPolarHBondContact O-CB 3.41Å; L40-A45 PolarHBondContact O-N 3.14Å; L40-A45 VanDerWaalsContact O-N 3.17Å; L40-V47 HydrophobicContact CB-CG2 3.78Å; L40-I128 HydrophobicContact CD1-CD1 3.94Å; L40-V277 HydrophobicContact CD2-CB 4.3Å; L40-V277 HydrophobicContact CD2-CG1 3.66Å; L40-V277 HydrophobicContact CD2-CG2 4.28Å
41A98.6Very high97.7Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-64.2-40.1179.500000112.3A37 S38 R43 G44 A45 V47 I92 Q96 L97A37-A41 VanDerWaalsContact O-CB 3.31Å; A37-A41 WeakPolarHBondContact O-CB 3.29Å; A37-A41 PolarHBondContact O-N 3.43Å; S38-A41 PolarHBondContact O-N 3.39Å; A41-R43 PolarHBondContact O-N 2.83Å; A41-R43 VanDerWaalsContact O-N 3.14Å; A41-G44 PolarHBondContact O-N 2.9Å; A41-A45 WeakPolarHBondContact CA-O 3.38Å; A41-V47 HydrophobicContact CB-CG2 4.12Å; A41-I92 HydrophobicContact CB-CD1 3.99Å; A41-I92 HydrophobicContact CB-CG1 4.06Å; A41-I92 HydrophobicContact CB-CG2 4.05Å; A41-Q96 HydrophobicContact CB-CB 4.39Å; A41-Q96 PolarHBondContact O-NE2 3.27Å; A41-L97 HydrophobicContact CB-CD2 3.82Å
42R98.1Very high98Very high1 Ų114.7 Ų14.70%0.0046%0.064CC..THydrogen-bonded Turntrans-60.5-22173.5-71.4171.179.7-160.79.2112.8S38 E39 L40 G44 Y68 S75 I78 D79 L89 S90 I92S38-R42 WeakPolarHBondContact O-CB 3.28Å; S38-R42 WeakPolarHBondContact O-CG 3.02Å; S38-R42 PolarHBondContact O-N 3.35Å; E39-R42 IonicContact OE1-CZ 2.95Å; E39-R42 IonicContact OE1-NH1 3.61Å; E39-R42 PolarHBondContact OE1-NH1 3.01Å; L40-R42 PolarHBondContact O-N 3.18Å; R42-G44 VanDerWaalsContact C-N 3.34Å; R42-Y68 HydrophobicContact CG-CG 4.37Å; R42-S75 PolarHBondContact NH2-O 3.27Å; R42-I78 PolarHBondContact NH1-O 3.35Å; R42-I78 PolarHBondContact NH2-O 2.72Å; R42-D79 PolarHBondContact NH1-O 3.19Å; R42-L89 HydrophobicContact CB-CD2 4.01Å; R42-L89 CarbonylContact O-C 3.56Å; R42-L89 WeakPolarHBondContact O-CA 3.45Å; R42-S90 WeakPolarHBondContact CA-O 3.43Å; R42-S90 PolarHBondContact O-N 3.06Å; R42-S90 PolarHBondContact O-OG 3.2Å; R42-I92 HydrophobicContact CG-CD1 3.88Å; R42-I92 HydrophobicContact CG-CG1 3.65Å
43R98.3Very high98.2Very high2 Ų217.3 Ų17.31%0.0088%0.078CC..THydrogen-bonded Turntrans-91.67174.2-72.9171.8176.1733.1113.4K16 L18 E39 L40 A41 S88 L89K16-R43 WeakPolarHBondContact O-CD 3.43Å; L18-R43 HydrophobicContact CB-CB 4.23Å; L18-R43 HydrophobicContact CD1-CB 4.12Å; L18-R43 HydrophobicContact CG-CB 4.02Å; L18-R43 PolarHBondContact N-O 3.16Å; E39-R43 PolarHBondContact O-NH1 3.45Å; E39-R43 IonicContact OE2-CZ 3.86Å; E39-R43 IonicContact OE2-NH1 3.17Å; E39-R43 PolarHBondContact OE2-NH1 3.16Å; E39-R43 IonicContact OE2-NH2 2.64Å; L40-R43 PolarHBondContact O-N 3.07Å; A41-R43 PolarHBondContact O-N 2.83Å; A41-R43 VanDerWaalsContact O-N 3.14Å; R43-S88 WeakPolarHBondContact CA-O 3.37Å; R43-L89 HydrophobicContact CG-CD2 4.22Å
44G98.3Very high98.3Very high10 Ų1020.8 Ų20.810%0.10310%0.096CC..THydrogen-bonded Turntrans96.5-4.9177.800000115.2L18 D19 L40 A41 R42 Q96L18-G44 CarbonylContact O-C 3.48Å; D19-G44 WeakPolarHBondContact OD1-CA 3.37Å; L40-G44 PolarHBondContact O-N 2.61Å; A41-G44 PolarHBondContact O-N 2.9Å; R42-G44 VanDerWaalsContact C-N 3.34Å; G44-Q96 PolarHBondContact O-NE2 3.46Å
45A98.7Very high98.3Very high0 Ų029.4 Ų29.40%013%0.127CC..  trans-66.9150.5177.900000111.5L18 K21 L40 A41 V47 Q96L18-A45 HydrophobicContact CB-CB 3.81Å; L18-A45 HydrophobicContact CD1-CB 4.22Å; L18-A45 WeakPolarHBondContact O-CA 3.13Å; L18-A45 PolarHBondContact O-N 3.39Å; K21-A45 WeakPolarHBondContact O-CA 3.38Å; L40-A45 HydrophobicContact CB-CB 4.16Å; L40-A45 WeakPolarHBondContact O-CB 3.41Å; L40-A45 PolarHBondContact O-N 3.14Å; L40-A45 VanDerWaalsContact O-N 3.17Å; A41-A45 WeakPolarHBondContact CA-O 3.38Å; A45-V47 HydrophobicContact CB-CG2 4.34Å; A45-Q96 PolarHBondContact O-NE2 3.19Å; A45-Q96 VanDerWaalsContact O-NE2 3.16Å
46R98.8Very high98.3Very high107 Ų10733.8 Ų33.840%0.40415%0.145SC..EExtended strand (participates in β ladder)trans-86.6133.4158.8-66.1173.366.1-156.43.8108.2K21 L22 A23 I98K21-R46 PolarHBondContact O-N 3.45Å; L22-R46 WeakPolarHBondContact CA-O 3.24Å; L22-R46 HydrophobicContact CD1-CB 3.74Å; A23-R46 PolarHBondContact N-O 3.4Å; R46-I98 HydrophobicContact CB-CD1 4.46Å
47V98.9Very high98.3Very high0 Ų033.6 Ų33.60%014%0.143CC..EExtended strand (participates in β ladder)trans-124.8117.1-174-172.30000110.1A23 V25 A37 L40 A41 A45 M49 Q96 L97 I98A23-V47 CarbonylContact O-C 3.51Å; A23-V47 WeakPolarHBondContact O-CA 3.21Å; V25-V47 HydrophobicContact CB-CG1 4.47Å; V25-V47 HydrophobicContact CG2-CG1 3.83Å; A37-V47 HydrophobicContact CB-CG1 3.78Å; L40-V47 HydrophobicContact CB-CG2 3.78Å; A41-V47 HydrophobicContact CB-CG2 4.12Å; A45-V47 HydrophobicContact CB-CG2 4.34Å; V47-M49 PolarHBondContact O-N 2.99Å; V47-Q96 PolarHBondContact N-O 3.06Å; V47-L97 HydrophobicContact CB-CD2 4.38Å; V47-I98 PolarHBondContact O-N 3.41Å
48I98.9Very high98.3Very high0 Ų037.7 Ų37.70%016%0.163CC..EExtended strand (participates in β ladder)trans-79.5107.7166.5-63.9158.7000108L22 A23 I24 V25 A50 I98 E100 F113 I117 Y121L22-I48 HydrophobicContact CD1-CD1 4.03Å; L22-I48 HydrophobicContact CD1-CG1 4.19Å; L22-I48 HydrophobicContact CD2-CD1 3.91Å; L22-I48 HydrophobicContact CG-CD1 4.14Å; A23-I48 PolarHBondContact O-N 3.41Å; I24-I48 HydrophobicContact CD1-CD1 4.29Å; I24-I48 HydrophobicContact CG1-CB 3.88Å; I24-I48 HydrophobicContact CG1-CD1 3.72Å; I24-I48 HydrophobicContact CG1-CG1 4.41Å; I24-I48 HydrophobicContact CG1-CG2 4.22Å; V25-I48 PolarHBondContact N-O 3.15Å; I48-A50 PolarHBondContact O-N 3.48Å; I48-A50 VanDerWaalsContact O-N 3.15Å; I48-I98 CarbonylContact C-O 3.49Å; I48-I98 VanDerWaalsContact CA-O 3.31Å; I48-I98 WeakPolarHBondContact CA-O 3.38Å; I48-I98 HydrophobicContact CG1-CB 4.36Å; I48-E100 HydrophobicContact CG2-CB 3.8Å; I48-E100 HydrophobicContact CG2-CG 3.8Å; I48-F113 HydrophobicContact CG2-CE2 4.13Å; I48-F113 HydrophobicContact CG2-CZ 4.14Å; I48-I117 HydrophobicContact CD1-CD1 3.87Å; I48-I117 HydrophobicContact CG2-CD1 4.24Å; I48-Y121 HydrophobicContact CD1-CD2 4.09Å; I48-Y121 HydrophobicContact CD1-CE2 3.74Å; I48-Y121 HydrophobicContact CG1-CE2 4.41Å
49M98.8Very high98.3Very high0 Ų040.4 Ų40.40%018%0.177CC..EExtended strand (participates in β ladder)trans-78.485.1173-66.1-178.274.400109.8S28 L34 A37 V47 C51 A60 K61 L64 L97 I98 I99 E100S28-M49 WeakPolarHBondContact O-CE 3.32Å; S28-M49 WeakPolarHBondContact OG-CA 3.33Å; S28-M49 WeakPolarHBondContact OG-CB 3.44Å; L34-M49 HydrophobicContact CD1-CE 3.9Å; A37-M49 HydrophobicContact CB-CG 4.33Å; V47-M49 PolarHBondContact O-N 2.99Å; M49-C51 PolarHBondContact O-N 3.42Å; M49-A60 HydrophobicContact CE-CB 4.29Å; M49-K61 HydrophobicContact SD-CB 4.38Å; M49-L64 HydrophobicContact CE-CD1 4.48Å; M49-L97 HydrophobicContact SD-CB 4.03Å; M49-L97 HydrophobicContact SD-CD2 4.14Å; M49-L97 HydrophobicContact SD-CG 4.46Å; M49-I98 PolarHBondContact N-O 2.88Å; M49-I99 HydrophobicContact CB-CG1 4.27Å; M49-I99 HydrophobicContact SD-CG1 4.45Å; M49-E100 PolarHBondContact O-N 2.68Å
50A98.8Very high98.3Very high1 Ų140.2 Ų40.21%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-80.5103.9-175.700000110.8I24 V25 G27 I48 E100 L102 F113I24-A50 HydrophobicContact CG2-CB 4.07Å; V25-A50 PolarHBondContact O-N 2.98Å; V25-A50 VanDerWaalsContact O-N 3.1Å; G27-A50 PolarHBondContact N-O 2.91Å; I48-A50 PolarHBondContact O-N 3.48Å; I48-A50 VanDerWaalsContact O-N 3.15Å; A50-E100 WeakPolarHBondContact CA-O 3.2Å; A50-L102 HydrophobicContact CB-CB 3.99Å; A50-L102 HydrophobicContact CB-CD2 3.7Å; A50-F113 HydrophobicContact CB-CE2 3.7Å; A50-F113 HydrophobicContact CB-CZ 3.77Å
51C98.2Very high98.3Very high0 Ų041.7 Ų41.70%018%0.183CC..EExtended strand (participates in β ladder)trans-133.1143.7-168.7-62.80000112.4S28 M49 A57 E100 Q101 L102S28-C51 PolarHBondContact OG-SG 2.89Å; M49-C51 PolarHBondContact O-N 3.42Å; C51-A57 HydrophobicContact CB-CB 3.75Å; C51-E100 PolarHBondContact N-O 2.93Å; C51-Q101 WeakPolarHBondContact O-CA 3.26Å; C51-L102 CarbonylContact C-O 3.43Å; C51-L102 VanDerWaalsContact C-O 3.31Å; C51-L102 PolarHBondContact O-N 3.33Å
52R97.1Very high98.3Very high128 Ų12847.8 Ų47.848%0.48321%0.206SC..SBendtrans-66.7-43.7176.1-177.5-179.569.31795.8112.9L102 D103R52-L102 WeakPolarHBondContact CA-O 3.44Å; R52-L102 PolarHBondContact N-O 3.45Å; R52-D103 VanDerWaalsContact CD-CG 3.43Å; R52-D103 WeakPolarHBondContact CD-OD2 3.49Å; R52-D103 HydrophobicContact CG-CB 3.95Å; R52-D103 WeakPolarHBondContact CG-OD2 3.4Å
53N97.2Very high98.2Very high69 Ų6953.5 Ų53.537%0.36923%0.227SC..  trans-107.8107.7-175.9-176-52.9000109.9R55 K56 A57N53-R55 PolarHBondContact OD1-N 3.02Å; N53-R55 VanDerWaalsContact OD1-N 3.16Å; N53-K56 HydrophobicContact CB-CB 4.22Å; N53-K56 HydrophobicContact CB-CD 4.42Å; N53-K56 HydrophobicContact CB-CG 4.35Å; N53-K56 PolarHBondContact O-N 2.91Å; N53-K56 PolarHBondContact OD1-N 2.98Å; N53-A57 PolarHBondContact O-N 2.62Å; N53-A57 VanDerWaalsContact O-N 3.07Å
54L97.9Very high98.2Very high72 Ų7253.9 Ų53.938%0.37723%0.229SC..Hα-helixtrans-63.1-41.8-176.6-63.9-179.4000112.7K56 A57 E58 I99 Q101L54-K56 PolarHBondContact O-N 3.13Å; L54-A57 WeakPolarHBondContact O-CA 3.48Å; L54-A57 WeakPolarHBondContact O-CB 3.28Å; L54-A57 PolarHBondContact O-N 2.86Å; L54-E58 WeakPolarHBondContact O-CG 3.48Å; L54-E58 PolarHBondContact O-N 2.78Å; L54-I99 HydrophobicContact CD2-CG2 3.63Å; L54-Q101 HydrophobicContact CD1-CB 4.4Å; L54-Q101 HydrophobicContact CD2-CB 3.85Å; L54-Q101 HydrophobicContact CD2-CG 4.31Å; L54-Q101 HydrophobicContact CG-CB 4.29Å; L54-Q101 HydrophobicContact CG-CG 4.35Å
55R98.2Very high98.2Very high200 Ų20055.4 Ų55.476%0.75524%0.235SC*.Hα-helixtrans-58.8-47.7177.8-175-179.8-67-104.10.8111.6N53 A57 E58 D59N53-R55 PolarHBondContact OD1-N 3.02Å; N53-R55 VanDerWaalsContact OD1-N 3.16Å; R55-A57 VanDerWaalsContact C-N 3.26Å; R55-A57 PolarHBondContact O-N 2.93Å; R55-E58 PolarHBondContact O-N 3.33Å; R55-D59 PolarHBondContact O-N 3.27Å
56K97.5Very high98.2Very high111 Ų11161.9 Ų61.948%0.48327%0.265SS..Hα-helixtrans-64.4-30.9175.9-69.7-171.4178.1-171.70112.5N53 L54 A60N53-K56 HydrophobicContact CB-CB 4.22Å; N53-K56 HydrophobicContact CB-CD 4.42Å; N53-K56 HydrophobicContact CB-CG 4.35Å; N53-K56 PolarHBondContact O-N 2.91Å; N53-K56 PolarHBondContact OD1-N 2.98Å; L54-K56 PolarHBondContact O-N 3.13Å; K56-A60 WeakPolarHBondContact O-CB 3.25Å; K56-A60 PolarHBondContact O-N 2.66Å; K56-A60 VanDerWaalsContact O-N 3.08Å
57A98.1Very high98.1Very high0 Ų061 Ų610%026%0.264CS..Hα-helixtrans-69.9-42.4175.200000111.4N29 C51 N53 L54 R55 A60 K61 I99N29-A57 HydrophobicContact CB-CB 4.44Å; C51-A57 HydrophobicContact CB-CB 3.75Å; N53-A57 PolarHBondContact O-N 2.62Å; N53-A57 VanDerWaalsContact O-N 3.07Å; L54-A57 WeakPolarHBondContact O-CA 3.48Å; L54-A57 WeakPolarHBondContact O-CB 3.28Å; L54-A57 PolarHBondContact O-N 2.86Å; R55-A57 VanDerWaalsContact C-N 3.26Å; R55-A57 PolarHBondContact O-N 2.93Å; A57-A60 CarbonylContact O-C 3.6Å; A57-A60 WeakPolarHBondContact O-CB 3.34Å; A57-A60 PolarHBondContact O-N 2.77Å; A57-A60 VanDerWaalsContact O-N 3.14Å; A57-K61 PolarHBondContact O-N 3.47Å; A57-I99 HydrophobicContact CB-CD1 4.11Å; A57-I99 HydrophobicContact CB-CG1 4.11Å; A57-I99 HydrophobicContact CB-CG2 3.79Å
58E98.5Very high98Very high86 Ų8661.3 Ų61.340%0.40227%0.265SS..Hα-helixtrans-61.8-44.6174.3-70.2-63.1168.300111.7L54 R55 A60 K61 R62 I99L54-E58 WeakPolarHBondContact O-CG 3.48Å; L54-E58 PolarHBondContact O-N 2.78Å; R55-E58 PolarHBondContact O-N 3.33Å; E58-A60 PolarHBondContact O-N 2.9Å; E58-K61 PolarHBondContact O-N 3.24Å; E58-R62 WeakPolarHBondContact O-CG 3.42Å; E58-R62 PolarHBondContact O-N 3.42Å; E58-I99 HydrophobicContact CB-CD1 4.29Å; E58-I99 HydrophobicContact CG-CD1 3.82Å; E58-I99 VanDerWaalsContact OE1-CD1 3.24Å; E58-I99 WeakPolarHBondContact OE1-CD1 3.4Å; E58-I99 VanDerWaalsContact OE2-CD1 3.29Å; E58-I99 WeakPolarHBondContact OE2-CD1 3.46Å
59D98.4Very high98Very high57 Ų5761.5 Ų61.531%0.30527%0.267SS..Hα-helixtrans-62.3-33.5175.2-59.7-17.5000111.9R55 R62 R63R55-D59 PolarHBondContact O-N 3.27Å; D59-R62 IonicContact OD1-CZ 3.23Å; D59-R62 VanDerWaalsContact OD1-CZ 3.23Å; D59-R62 IonicContact OD1-NH1 2.97Å; D59-R62 PolarHBondContact OD1-NH1 3.26Å; D59-R62 IonicContact OD1-NH2 2.64Å; D59-R62 PolarHBondContact OD1-NH2 3.44Å; D59-R63 WeakPolarHBondContact O-CG 3.39Å; D59-R63 PolarHBondContact O-N 3.01Å; D59-R63 PolarHBondContact O-NE 2.98Å
60A98Very high97.8Very high0 Ų064.7 Ų64.70%029%0.294CS..Hα-helixtrans-72-42.417500000112.1N29 L34 M49 K56 A57 E58 R63 L64N29-A60 HydrophobicContact CB-CB 4.21Å; N29-A60 WeakPolarHBondContact O-CB 2.67Å; L34-A60 HydrophobicContact CD1-CB 3.72Å; L34-A60 HydrophobicContact CD2-CB 4.37Å; M49-A60 HydrophobicContact CE-CB 4.29Å; K56-A60 WeakPolarHBondContact O-CB 3.25Å; K56-A60 PolarHBondContact O-N 2.66Å; K56-A60 VanDerWaalsContact O-N 3.08Å; A57-A60 CarbonylContact O-C 3.6Å; A57-A60 WeakPolarHBondContact O-CB 3.34Å; A57-A60 PolarHBondContact O-N 2.77Å; A57-A60 VanDerWaalsContact O-N 3.14Å; E58-A60 PolarHBondContact O-N 2.9Å; A60-R63 PolarHBondContact O-N 3.23Å; A60-L64 WeakPolarHBondContact O-CG 3.2Å; A60-L64 PolarHBondContact O-N 3.37Å
61K98.6Very high97.6Very high32 Ų3272.8 Ų72.814%0.13934%0.337CS..Hα-helixtrans-58.9-46.8174.5175.8175.6175.6169.90111.5M49 A57 E58 R63 L64 L65 S94 L97 I99M49-K61 HydrophobicContact SD-CB 4.38Å; A57-K61 PolarHBondContact O-N 3.47Å; E58-K61 PolarHBondContact O-N 3.24Å; K61-R63 PolarHBondContact O-N 3.28Å; K61-L64 WeakPolarHBondContact O-CB 3.48Å; K61-L64 PolarHBondContact O-N 2.96Å; K61-L64 VanDerWaalsContact O-N 3.13Å; K61-L65 HydrophobicContact CG-CD1 4.09Å; K61-L65 WeakPolarHBondContact O-CG 3.37Å; K61-L65 PolarHBondContact O-N 3.14Å; K61-S94 VanDerWaalsContact CE-O 3.24Å; K61-S94 WeakPolarHBondContact CE-O 3.45Å; K61-S94 VanDerWaalsContact CE-OG 3.27Å; K61-S94 WeakPolarHBondContact CE-OG 3.34Å; K61-S94 PolarHBondContact NZ-O 2.78Å; K61-S94 PolarHBondContact NZ-OG 3.46Å; K61-L97 HydrophobicContact CD-CB 4.02Å; K61-L97 VanDerWaalsContact CE-O 3.32Å; K61-L97 WeakPolarHBondContact CE-O 3.39Å; K61-L97 HydrophobicContact CG-CB 4.02Å; K61-L97 HydrophobicContact CG-CD1 4.05Å; K61-L97 PolarHBondContact NZ-O 3.36Å; K61-I99 HydrophobicContact CB-CD1 3.94Å; K61-I99 HydrophobicContact CD-CD1 3.86Å; K61-I99 HydrophobicContact CD-CG1 4.49Å
62R98.3Very high97.5Very high127 Ų12774.8 Ų74.848%0.47935%0.348SS..Hα-helixtrans-57.8-47.4176.6-68.1-164.2-51.2-79.22.7112E58 D59 L64 L65 E66E58-R62 WeakPolarHBondContact O-CG 3.42Å; E58-R62 PolarHBondContact O-N 3.42Å; D59-R62 IonicContact OD1-CZ 3.23Å; D59-R62 VanDerWaalsContact OD1-CZ 3.23Å; D59-R62 IonicContact OD1-NH1 2.97Å; D59-R62 PolarHBondContact OD1-NH1 3.26Å; D59-R62 IonicContact OD1-NH2 2.64Å; D59-R62 PolarHBondContact OD1-NH2 3.44Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.36Å; R62-L65 PolarHBondContact O-N 2.98Å; R62-L65 VanDerWaalsContact O-N 3.08Å; R62-E66 WeakPolarHBondContact O-CG 3.49Å; R62-E66 PolarHBondContact O-N 3.01Å
63R97.5Very high97.4Very high122 Ų12273.5 Ų73.546%0.4636%0.358SS..Hα-helixtrans-59.5-36.4175.6-72.9-179.3-66.1147.30.7113.2N29 D59 A60 K61 K67N29-R63 PolarHBondContact O-NH2 3.17Å; D59-R63 WeakPolarHBondContact O-CG 3.39Å; D59-R63 PolarHBondContact O-N 3.01Å; D59-R63 PolarHBondContact O-NE 2.98Å; A60-R63 PolarHBondContact O-N 3.23Å; K61-R63 PolarHBondContact O-N 3.28Å; R63-K67 VanDerWaalsContact O-CB 3.29Å; R63-K67 WeakPolarHBondContact O-CB 3.16Å; R63-K67 PolarHBondContact O-N 2.64Å
64L98Very high97.2Very high10 Ų1074.9 Ų74.95%0.05236%0.363CS..Hα-helixtrans-68.2-39.1174.9-70.2-170.4000112.2L34 M49 A60 K61 R62 K67 Y68 L97L34-L64 HydrophobicContact CD1-CD1 3.63Å; L34-L64 HydrophobicContact CD1-CD2 3.96Å; L34-L64 HydrophobicContact CD1-CG 3.73Å; L34-L64 HydrophobicContact CG-CD1 4.5Å; L34-L64 HydrophobicContact CG-CD2 4.07Å; L34-L64 HydrophobicContact CG-CG 4.4Å; M49-L64 HydrophobicContact CE-CD1 4.48Å; A60-L64 WeakPolarHBondContact O-CG 3.2Å; A60-L64 PolarHBondContact O-N 3.37Å; K61-L64 WeakPolarHBondContact O-CB 3.48Å; K61-L64 PolarHBondContact O-N 2.96Å; K61-L64 VanDerWaalsContact O-N 3.13Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.36Å; L64-K67 PolarHBondContact O-N 3.12Å; L64-Y68 HydrophobicContact CD2-CD2 4.03Å; L64-Y68 HydrophobicContact CD2-CE2 3.93Å; L64-Y68 WeakPolarHBondContact O-CA 3.22Å; L64-Y68 WeakPolarHBondContact O-CB 3.5Å; L64-Y68 PolarHBondContact O-N 3.08Å; L64-L97 HydrophobicContact CB-CD1 3.84Å; L64-L97 HydrophobicContact CD1-CD1 3.8Å; L64-L97 HydrophobicContact CD1-CD2 4.33Å; L64-L97 HydrophobicContact CG-CD1 4.47Å
65L98.1Very high97.1Very high41 Ų4171.7 Ų71.722%0.21535%0.346CS..Hα-helixtrans-72.1-35.6178.3-66.3172.2000112.2K61 R62 G69 I92 L97K61-L65 HydrophobicContact CG-CD1 4.09Å; K61-L65 WeakPolarHBondContact O-CG 3.37Å; K61-L65 PolarHBondContact O-N 3.14Å; R62-L65 PolarHBondContact O-N 2.98Å; R62-L65 VanDerWaalsContact O-N 3.08Å; L65-G69 WeakPolarHBondContact O-CA 3.21Å; L65-G69 PolarHBondContact O-N 2.94Å; L65-I92 HydrophobicContact CD2-CB 4.37Å; L65-I92 HydrophobicContact CD2-CG2 3.93Å; L65-L97 HydrophobicContact CD2-CD1 4.45Å
66E97.5Very high96.9Very high137 Ų13763.8 Ų63.864%0.6432%0.32SS*.Hα-helixtrans-62.9-44.1170.8-72.5164.6-171.300111.1R62 N72R62-E66 WeakPolarHBondContact O-CG 3.49Å; R62-E66 PolarHBondContact O-N 3.01Å; E66-N72 WeakPolarHBondContact O-CB 3.44Å
67K97.5Very high96.7Very high89 Ų8962.5 Ų62.539%0.38732%0.318SS..Hα-helixtrans-78.6-46.2-175.8-174.5171178-173.10113.1R63 L64 N72 I78 D79R63-K67 VanDerWaalsContact O-CB 3.29Å; R63-K67 WeakPolarHBondContact O-CB 3.16Å; R63-K67 PolarHBondContact O-N 2.64Å; L64-K67 PolarHBondContact O-N 3.12Å; K67-N72 PolarHBondContact O-ND2 2.88Å; K67-I78 HydrophobicContact CD-CD1 4.31Å; K67-I78 HydrophobicContact CG-CD1 3.52Å; K67-I78 VanDerWaalsContact O-CD1 3.22Å; K67-I78 WeakPolarHBondContact O-CD1 3.26Å; K67-D79 VanDerWaalsContact CE-OD2 3.27Å; K67-D79 WeakPolarHBondContact CE-OD2 3.47Å; K67-D79 IonicContact NZ-OD2 2.6Å; K67-D79 PolarHBondContact NZ-OD2 3.15Å
68Y98.1Very high96.5Very high5 Ų564.7 Ų64.72%0.0233%0.33CS..Hα-helixtrans-118.70.9-171.2-54.9-68000113.9R42 L64 S75 I78 D79 P91 I92R42-Y68 HydrophobicContact CG-CG 4.37Å; L64-Y68 HydrophobicContact CD2-CD2 4.03Å; L64-Y68 HydrophobicContact CD2-CE2 3.93Å; L64-Y68 WeakPolarHBondContact O-CA 3.22Å; L64-Y68 WeakPolarHBondContact O-CB 3.5Å; L64-Y68 PolarHBondContact O-N 3.08Å; Y68-S75 WeakPolarHBondContact O-CB 3.25Å; Y68-I78 HydrophobicContact CD1-CD1 3.53Å; Y68-I78 HydrophobicContact CD1-CG1 3.86Å; Y68-I78 HydrophobicContact CE1-CD1 3.52Å; Y68-I78 HydrophobicContact CE1-CG1 3.72Å; Y68-D79 HydrophobicContact CE1-CB 4.3Å; Y68-D79 PolarHBondContact OH-OD2 3.27Å; Y68-P91 CarbonylContact O-C 3.48Å; Y68-P91 WeakPolarHBondContact O-CA 3.34Å; Y68-I92 HydrophobicContact CD2-CD1 4.09Å; Y68-I92 HydrophobicContact CG-CD1 4.25Å; Y68-I92 PolarHBondContact O-N 3.01Å
69G97.5Very high96.4Very high4 Ų462.9 Ų62.94%0.04132%0.323CS..BIsolated β-bridgetrans-78171.5178.600000113.2L65 N71 N72 I92L65-G69 WeakPolarHBondContact O-CA 3.21Å; L65-G69 PolarHBondContact O-N 2.94Å; G69-N71 PolarHBondContact O-N 2.92Å; G69-N71 VanDerWaalsContact O-N 3.12Å; G69-N72 PolarHBondContact O-N 3.49Å; G69-I92 WeakPolarHBondContact CA-O 3.39Å
70A94.3Very high96.3Very high68 Ų6861.9 Ų61.956%0.56232%0.319SS*.THydrogen-bonded Turntrans-59.3-25.5-175.300000114.1N72 P91A70-N72 PolarHBondContact O-N 2.73Å; A70-P91 HydrophobicContact CB-CB 4.16Å
71N94.8Very high96.1Very high171 Ų17162.7 Ų62.791%0.91433%0.326SS*.THydrogen-bonded Turntrans-72.5-13178-65.2-14.4000113.3G69G69-N71 PolarHBondContact O-N 2.92Å; G69-N71 VanDerWaalsContact O-N 3.12Å
72N96.7Very high95.9Very high42 Ų4262.3 Ų62.323%0.22533%0.327CS..  trans-102107.9172.1-176.40.2000110.2E66 K67 G69 A70 Q74 S75E66-N72 WeakPolarHBondContact O-CB 3.44Å; K67-N72 PolarHBondContact O-ND2 2.88Å; G69-N72 PolarHBondContact O-N 3.49Å; A70-N72 PolarHBondContact O-N 2.73Å; N72-Q74 PolarHBondContact O-N 3.37Å; N72-Q74 VanDerWaalsContact O-N 3.14Å; N72-Q74 PolarHBondContact OD1-N 2.92Å; N72-S75 WeakPolarHBondContact O-CB 3.42Å; N72-S75 PolarHBondContact O-N 3.3Å; N72-S75 PolarHBondContact O-OG 3.4Å
73S93.9Very high95.7Very high100 Ų10064.3 Ų64.370%0.69934%0.342SS*.THydrogen-bonded Turntrans-61.8-20178.658.80000113.8
74Q94.6Very high95.5Very high99 Ų9961 Ų6146%0.46333%0.331SS..THydrogen-bonded Turntrans-93.41.4176.3-61.7-58.6-36.200113.6N72 V76 N77 I78N72-Q74 PolarHBondContact O-N 3.37Å; N72-Q74 VanDerWaalsContact O-N 3.14Å; N72-Q74 PolarHBondContact OD1-N 2.92Å; Q74-V76 PolarHBondContact O-N 3.5Å; Q74-N77 PolarHBondContact O-N 3Å; Q74-N77 PolarHBondContact OE1-ND2 3.43Å; Q74-I78 HydrophobicContact CB-CG2 4.39Å; Q74-I78 PolarHBondContact O-N 3.31Å
75S94.1Very high95.4Very high4 Ų460.7 Ų60.73%0.02833%0.33CS..THydrogen-bonded Turntrans-52.5-33.5-173.352.20000114.8R42 Y68 N72 I78R42-S75 PolarHBondContact NH2-O 3.27Å; Y68-S75 WeakPolarHBondContact O-CB 3.25Å; N72-S75 WeakPolarHBondContact O-CB 3.42Å; N72-S75 PolarHBondContact O-N 3.3Å; N72-S75 PolarHBondContact O-OG 3.4Å; S75-I78 WeakPolarHBondContact O-CG1 3.19Å
76V94.5Very high95.3Very high34 Ų3461.7 Ų61.721%0.20633%0.334CS..THydrogen-bonded Turntrans-87.1-16.1179.2-62.80000113.9Q74 V80 P91Q74-V76 PolarHBondContact O-N 3.5Å; V76-V80 VanDerWaalsContact O-CG2 3.24Å; V76-V80 WeakPolarHBondContact O-CG2 3.06Å; V76-P91 HydrophobicContact CG1-CG 4.34Å
77N94.2Very high95.1Very high84 Ų8459.7 Ų59.745%0.44934%0.336SS..THydrogen-bonded Turntrans-98.6-14.5-176.8-63-33.9000113.4Q74Q74-N77 PolarHBondContact O-N 3Å; Q74-N77 PolarHBondContact OE1-ND2 3.43Å
78I94.2Very high95.1Very high46 Ų4655.6 Ų55.624%0.23632%0.318CS..SBendtrans-84.9148.3175.556.7176.4000111.4R42 K67 Y68 Q74 S75 V80R42-I78 PolarHBondContact NH1-O 3.35Å; R42-I78 PolarHBondContact NH2-O 2.72Å; K67-I78 HydrophobicContact CD-CD1 4.31Å; K67-I78 HydrophobicContact CG-CD1 3.52Å; K67-I78 VanDerWaalsContact O-CD1 3.22Å; K67-I78 WeakPolarHBondContact O-CD1 3.26Å; Y68-I78 HydrophobicContact CD1-CD1 3.53Å; Y68-I78 HydrophobicContact CD1-CG1 3.86Å; Y68-I78 HydrophobicContact CE1-CD1 3.52Å; Y68-I78 HydrophobicContact CE1-CG1 3.72Å; Q74-I78 HydrophobicContact CB-CG2 4.39Å; Q74-I78 PolarHBondContact O-N 3.31Å; S75-I78 WeakPolarHBondContact O-CG1 3.19Å; I78-V80 VanDerWaalsContact C-N 3.31Å; I78-V80 PolarHBondContact O-N 3.19Å
79D95.3Very high95.1Very high48 Ų4856 Ų5626%0.25732%0.32SS..SBendtrans53.749.8173.1-75.8-34.3000111.8R42 K67 Y68 W267R42-D79 PolarHBondContact NH1-O 3.19Å; K67-D79 VanDerWaalsContact CE-OD2 3.27Å; K67-D79 WeakPolarHBondContact CE-OD2 3.47Å; K67-D79 IonicContact NZ-OD2 2.6Å; K67-D79 PolarHBondContact NZ-OD2 3.15Å; Y68-D79 HydrophobicContact CE1-CB 4.3Å; Y68-D79 PolarHBondContact OH-OD2 3.27Å; D79-W267 HydrophobicContact CB-CD2 4.33Å; D79-W267 HydrophobicContact CB-CG 4.13Å; D79-W267 VanDerWaalsContact O-CZ2 3.28Å; D79-W267 WeakPolarHBondContact O-CZ2 3.43Å; D79-W267 PolarHBondContact O-NE1 3.38Å
80V95.9Very high95.1Very high36 Ų3657 Ų5722%0.21833%0.328CS..  trans-107.5129.5-179.21780000109.3V76 I78 C82 I86 L89V76-V80 VanDerWaalsContact O-CG2 3.24Å; V76-V80 WeakPolarHBondContact O-CG2 3.06Å; I78-V80 VanDerWaalsContact C-N 3.31Å; I78-V80 PolarHBondContact O-N 3.19Å; V80-C82 VanDerWaalsContact CG1-O 3.3Å; V80-C82 WeakPolarHBondContact CG1-O 3.16Å; V80-I86 HydrophobicContact CG1-CD1 4.28Å; V80-I86 HydrophobicContact CG1-CG1 3.65Å; V80-I86 HydrophobicContact CG2-CG1 4.39Å; V80-L89 HydrophobicContact CG2-CD1 3.93Å
81A94.6Very high95.3Very high18 Ų1856 Ų5615%0.14932%0.315CS..SBendtrans-71.3-45.8178.600000112.2I5 A11 C12 W267I5-A81 WeakPolarHBondContact CD1-O 3.27Å; A11-A81 HydrophobicContact CB-CB 3.73Å; C12-A81 WeakPolarHBondContact O-CB 3.22Å; A81-W267 HydrophobicContact CB-CH2 4.35Å; A81-W267 HydrophobicContact CB-CZ2 4.41Å
82C94.6Very high95.4Very high24 Ų2448 Ų4816%0.16227%0.272CS..SBendtrans-163.1160.7-175.849.90000109.2I5 C13 V80 Q84 V85I5-C82 HydrophobicContact CD1-CB 4.17Å; C13-C82 VanDerWaalsContact CA-SG 3.52Å; C13-C82 WeakPolarHBondContact CB-SG 3.39Å; C13-C82 WeakPolarHBondContact SG-CB 3.49Å; C13-C82 CovalentContact SG-SG 2.05Å; C13-C82 PolarHBondContact SG-SG 3.36Å; V80-C82 VanDerWaalsContact CG1-O 3.3Å; V80-C82 WeakPolarHBondContact CG1-O 3.16Å; C82-Q84 VanDerWaalsContact C-N 3.28Å; C82-Q84 HydrophobicContact CB-CG 4.27Å; C82-Q84 PolarHBondContact O-N 3.41Å; C82-Q84 WeakPolarHBondContact SG-CG 3.48Å; C82-Q84 PolarHBondContact SG-NE2 2.94Å; C82-V85 WeakPolarHBondContact O-CB 3.41Å; C82-V85 PolarHBondContact O-N 3.03Å
83E94.2Very high95.5Very high169 Ų16950 Ų5079%0.7928%0.283SS*.G310 helixtrans-52.7-43.3-175.9-173.3177.5-175.900113.2V85 I86E83-V85 PolarHBondContact O-N 3.42Å; E83-I86 HydrophobicContact CG-CD1 4.45Å; E83-I86 WeakPolarHBondContact O-CB 3.21Å; E83-I86 WeakPolarHBondContact O-CG1 3.4Å; E83-I86 PolarHBondContact O-N 2.84Å
84Q92.5Very high95.6Very high53 Ų5348.2 Ų48.225%0.24827%0.27CS..G310 helixtrans-56.5-25.6179.159.2-174.9-25.700114.5M1 C13 S15 C82 S87M1-Q84 HydrophobicContact SD-CB 4.43Å; M1-Q84 PolarHBondContact SD-OE1 3.38Å; C13-Q84 HydrophobicContact CB-CG 4.47Å; S15-Q84 WeakPolarHBondContact CB-O 3.29Å; S15-Q84 PolarHBondContact OG-O 2.99Å; C82-Q84 VanDerWaalsContact C-N 3.28Å; C82-Q84 HydrophobicContact CB-CG 4.27Å; C82-Q84 PolarHBondContact O-N 3.41Å; C82-Q84 WeakPolarHBondContact SG-CG 3.48Å; C82-Q84 PolarHBondContact SG-NE2 2.94Å; Q84-S87 PolarHBondContact O-OG 3.49Å
85V95.9Very high95.8Very high2 Ų248.7 Ų48.71%0.01228%0.276CS..G310 helixtrans-77.4-24.5179.9172.80000112C13 C82 E83 S87 S88 L89C13-V85 WeakPolarHBondContact O-CG2 3.19Å; C82-V85 WeakPolarHBondContact O-CB 3.41Å; C82-V85 PolarHBondContact O-N 3.03Å; E83-V85 PolarHBondContact O-N 3.42Å; V85-S87 PolarHBondContact O-N 3.23Å; V85-S87 VanDerWaalsContact O-N 3.17Å; V85-S88 PolarHBondContact O-N 3.45Å; V85-S88 PolarHBondContact O-OG 3.41Å; V85-L89 HydrophobicContact CG1-CD1 4.05Å; V85-L89 HydrophobicContact CG1-CD2 4.28Å; V85-L89 HydrophobicContact CG1-CG 4.08Å
86I95.7Very high96Very high62 Ų6249.1 Ų49.132%0.31828%0.278SS..G310 helixtrans-55.3-40.3-173-64174000111.2V80 E83 S88 L89V80-I86 HydrophobicContact CG1-CD1 4.28Å; V80-I86 HydrophobicContact CG1-CG1 3.65Å; V80-I86 HydrophobicContact CG2-CG1 4.39Å; E83-I86 HydrophobicContact CG-CD1 4.45Å; E83-I86 WeakPolarHBondContact O-CB 3.21Å; E83-I86 WeakPolarHBondContact O-CG1 3.4Å; E83-I86 PolarHBondContact O-N 2.84Å; I86-S88 PolarHBondContact O-N 3.43Å; I86-S88 VanDerWaalsContact O-N 3.16Å; I86-L89 PolarHBondContact O-N 3.07Å
87S94.8Very high96.2Very high96 Ų9647.5 Ų47.567%0.67127%0.268SS*.G310 helixtrans-63.4-20.417959.20000114.4S15 Q84 V85S15-S87 PolarHBondContact OG-OG 3.45Å; S15-S87 VanDerWaalsContact OG-OG 3.05Å; Q84-S87 PolarHBondContact O-OG 3.49Å; V85-S87 PolarHBondContact O-N 3.23Å; V85-S87 VanDerWaalsContact O-N 3.17Å
88S96.6Very high96.4Very high2 Ų244.6 Ų44.61%0.01425%0.252CS..G310 helixtrans-89.7-7.4175.270.20000113.9S15 R43 V85 I86S15-S88 WeakPolarHBondContact OG-CB 3.41Å; R43-S88 WeakPolarHBondContact CA-O 3.37Å; V85-S88 PolarHBondContact O-N 3.45Å; V85-S88 PolarHBondContact O-OG 3.41Å; I86-S88 PolarHBondContact O-N 3.43Å; I86-S88 VanDerWaalsContact O-N 3.16Å
89L97.7Very high96.6Very high13 Ų1343.8 Ų43.87%0.06825%0.248CC..  trans-99.4137.9-176.5-57.6176.8000110.9R42 R43 V80 V85 I86R42-L89 HydrophobicContact CB-CD2 4.01Å; R42-L89 CarbonylContact O-C 3.56Å; R42-L89 WeakPolarHBondContact O-CA 3.45Å; R43-L89 HydrophobicContact CG-CD2 4.22Å; V80-L89 HydrophobicContact CG2-CD1 3.93Å; V85-L89 HydrophobicContact CG1-CD1 4.05Å; V85-L89 HydrophobicContact CG1-CD2 4.28Å; V85-L89 HydrophobicContact CG1-CG 4.08Å; I86-L89 PolarHBondContact O-N 3.07Å
90S97.5Very high96.7Very high27 Ų2742.7 Ų42.719%0.18924%0.241CC..  trans-136.4157.5171.849.70000110.1R17 R42R17-S90 PolarHBondContact NH2-OG 3.02Å; R42-S90 WeakPolarHBondContact CA-O 3.43Å; R42-S90 PolarHBondContact O-N 3.06Å; R42-S90 PolarHBondContact O-OG 3.2Å
91P98Very high96.9Very high45 Ų4545.3 Ų45.329%0.29225%0.251SS..PPolyproline II helixtrans-56.7145.4171.9-20.931.6000111.6Y68 A70 V76Y68-P91 CarbonylContact O-C 3.48Å; Y68-P91 WeakPolarHBondContact O-CA 3.34Å; A70-P91 HydrophobicContact CB-CB 4.16Å; V76-P91 HydrophobicContact CG1-CG 4.34Å
92I98.3Very high97.1Very high3 Ų344.7 Ų44.72%0.01525%0.245CC..BIsolated β-bridgetrans-79.6128.1178.6-58.1179.2000109.8A41 R42 L65 Y68 G69 Q96 L97A41-I92 HydrophobicContact CB-CD1 3.99Å; A41-I92 HydrophobicContact CB-CG1 4.06Å; A41-I92 HydrophobicContact CB-CG2 4.05Å; R42-I92 HydrophobicContact CG-CD1 3.88Å; R42-I92 HydrophobicContact CG-CG1 3.65Å; L65-I92 HydrophobicContact CD2-CB 4.37Å; L65-I92 HydrophobicContact CD2-CG2 3.93Å; Y68-I92 HydrophobicContact CD2-CD1 4.09Å; Y68-I92 HydrophobicContact CG-CD1 4.25Å; Y68-I92 PolarHBondContact O-N 3.01Å; G69-I92 WeakPolarHBondContact CA-O 3.39Å; I92-Q96 HydrophobicContact CG2-CB 4.48Å; I92-L97 HydrophobicContact CG2-CD1 3.86Å; I92-L97 HydrophobicContact CG2-CD2 4.47Å; I92-L97 HydrophobicContact CG2-CG 3.85Å
93N97.6Very high97.3Very high86 Ų8645.7 Ų45.746%0.4625%0.249SC..PPolyproline II helixtrans-89.4148.1167.5-61.7-42.8000111.1D95 Q96N93-D95 VanDerWaalsContact C-N 3.25Å; N93-D95 WeakPolarHBondContact CB-OD1 3.45Å; N93-D95 PolarHBondContact O-N 2.86Å; N93-Q96 HydrophobicContact CB-CG 4.26Å; N93-Q96 WeakPolarHBondContact O-CB 3.41Å; N93-Q96 PolarHBondContact O-N 3.06Å; N93-Q96 VanDerWaalsContact O-N 3.08Å
94S97.5Very high97.5Very high62 Ų6238.2 Ų38.243%0.43421%0.214SC..G310 helixtrans-61-32.3-174.7-174.80000113.6K61 Q96 L97K61-S94 VanDerWaalsContact CE-O 3.24Å; K61-S94 WeakPolarHBondContact CE-O 3.45Å; K61-S94 VanDerWaalsContact CE-OG 3.27Å; K61-S94 WeakPolarHBondContact CE-OG 3.34Å; K61-S94 PolarHBondContact NZ-O 2.78Å; K61-S94 PolarHBondContact NZ-OG 3.46Å; S94-Q96 VanDerWaalsContact C-N 3.28Å; S94-Q96 PolarHBondContact O-N 3.01Å; S94-L97 PolarHBondContact O-N 2.99Å
95D97.2Very high97.8Very high108 Ų10836.1 Ų36.158%0.57821%0.206SC*.G310 helixtrans-72.8-18.3178.967.3-47000113.4N93 L97N93-D95 VanDerWaalsContact C-N 3.25Å; N93-D95 WeakPolarHBondContact CB-OD1 3.45Å; N93-D95 PolarHBondContact O-N 2.86Å; D95-L97 VanDerWaalsContact C-N 3.32Å
96Q98.4Very high97.9Very high14 Ų1437 Ų377%0.06521%0.212CC..G310 helixtrans-72.3-25.3172-62.9-178.7-85.400112.5A41 G44 A45 V47 I92 N93 S94A41-Q96 HydrophobicContact CB-CB 4.39Å; A41-Q96 PolarHBondContact O-NE2 3.27Å; G44-Q96 PolarHBondContact O-NE2 3.46Å; A45-Q96 PolarHBondContact O-NE2 3.19Å; A45-Q96 VanDerWaalsContact O-NE2 3.16Å; V47-Q96 PolarHBondContact N-O 3.06Å; I92-Q96 HydrophobicContact CG2-CB 4.48Å; N93-Q96 HydrophobicContact CB-CG 4.26Å; N93-Q96 WeakPolarHBondContact O-CB 3.41Å; N93-Q96 PolarHBondContact O-N 3.06Å; N93-Q96 VanDerWaalsContact O-N 3.08Å; S94-Q96 VanDerWaalsContact C-N 3.28Å; S94-Q96 PolarHBondContact O-N 3.01Å
97L98.7Very high98Very high0 Ų035.1 Ų35.10%020%0.203CC..EExtended strand (participates in β ladder)trans-103.3101.5-179.6-62.7-179.7000110.3A41 V47 M49 K61 L64 L65 I92 S94 D95A41-L97 HydrophobicContact CB-CD2 3.82Å; V47-L97 HydrophobicContact CB-CD2 4.38Å; M49-L97 HydrophobicContact SD-CB 4.03Å; M49-L97 HydrophobicContact SD-CD2 4.14Å; M49-L97 HydrophobicContact SD-CG 4.46Å; K61-L97 HydrophobicContact CD-CB 4.02Å; K61-L97 VanDerWaalsContact CE-O 3.32Å; K61-L97 WeakPolarHBondContact CE-O 3.39Å; K61-L97 HydrophobicContact CG-CB 4.02Å; K61-L97 HydrophobicContact CG-CD1 4.05Å; K61-L97 PolarHBondContact NZ-O 3.36Å; L64-L97 HydrophobicContact CB-CD1 3.84Å; L64-L97 HydrophobicContact CD1-CD1 3.8Å; L64-L97 HydrophobicContact CD1-CD2 4.33Å; L64-L97 HydrophobicContact CG-CD1 4.47Å; L65-L97 HydrophobicContact CD2-CD1 4.45Å; I92-L97 HydrophobicContact CG2-CD1 3.86Å; I92-L97 HydrophobicContact CG2-CD2 4.47Å; I92-L97 HydrophobicContact CG2-CG 3.85Å; S94-L97 PolarHBondContact O-N 2.99Å; D95-L97 VanDerWaalsContact C-N 3.32Å
98I98.7Very high98.2Very high22 Ų2235.6 Ų35.611%0.11319%0.194CC..EExtended strand (participates in β ladder)trans-106.5120.5-173.1-54.9165000108.7R46 V47 I48 M49 Y121R46-I98 HydrophobicContact CB-CD1 4.46Å; V47-I98 PolarHBondContact O-N 3.41Å; I48-I98 CarbonylContact C-O 3.49Å; I48-I98 VanDerWaalsContact CA-O 3.31Å; I48-I98 WeakPolarHBondContact CA-O 3.38Å; I48-I98 HydrophobicContact CG1-CB 4.36Å; M49-I98 PolarHBondContact N-O 2.88Å; I98-Y121 HydrophobicContact CD1-CE1 4.47Å; I98-Y121 WeakPolarHBondContact CD1-OH 3.37Å
99I98.7Very high98.3Very high29 Ų2936.1 Ų36.115%0.14920%0.198CC..EExtended strand (participates in β ladder)trans-91.8130.2-179-69.6162.9000109.7M49 L54 A57 E58 K61M49-I99 HydrophobicContact CB-CG1 4.27Å; M49-I99 HydrophobicContact SD-CG1 4.45Å; L54-I99 HydrophobicContact CD2-CG2 3.63Å; A57-I99 HydrophobicContact CB-CD1 4.11Å; A57-I99 HydrophobicContact CB-CG1 4.11Å; A57-I99 HydrophobicContact CB-CG2 3.79Å; E58-I99 HydrophobicContact CB-CD1 4.29Å; E58-I99 HydrophobicContact CG-CD1 3.82Å; E58-I99 VanDerWaalsContact OE1-CD1 3.24Å; E58-I99 WeakPolarHBondContact OE1-CD1 3.4Å; E58-I99 VanDerWaalsContact OE2-CD1 3.29Å; E58-I99 WeakPolarHBondContact OE2-CD1 3.46Å; K61-I99 HydrophobicContact CB-CD1 3.94Å; K61-I99 HydrophobicContact CD-CD1 3.86Å; K61-I99 HydrophobicContact CD-CG1 4.49Å
100E98.7Very high98.4Very high25 Ų2535.5 Ų35.512%0.11720%0.195CC..EExtended strand (participates in β ladder)trans-136.3138.8176.1-76.8-73.2169.400110I48 M49 A50 C51 L102 F113 R116 I117I48-E100 HydrophobicContact CG2-CB 3.8Å; I48-E100 HydrophobicContact CG2-CG 3.8Å; M49-E100 PolarHBondContact O-N 2.68Å; A50-E100 WeakPolarHBondContact CA-O 3.2Å; C51-E100 PolarHBondContact N-O 2.93Å; E100-L102 PolarHBondContact O-N 3.24Å; E100-F113 HydrophobicContact CB-CD2 4.04Å; E100-F113 HydrophobicContact CB-CE2 3.6Å; E100-F113 HydrophobicContact CG-CE2 4.43Å; E100-R116 IonicContact OE2-NE 3.67Å; E100-R116 PolarHBondContact OE2-NE 2.85Å; E100-R116 VanDerWaalsContact OE2-NE 3.17Å; E100-I117 HydrophobicContact CG-CD1 3.93Å
101Q98.7Very high98.4Very high91 Ų9138.5 Ų38.543%0.42520%0.202SC..EExtended strand (participates in β ladder)trans-74.2129.2-179.6-163.4176.117.400110.7C51 L54 F113 R116C51-Q101 WeakPolarHBondContact O-CA 3.26Å; L54-Q101 HydrophobicContact CD1-CB 4.4Å; L54-Q101 HydrophobicContact CD2-CB 3.85Å; L54-Q101 HydrophobicContact CD2-CG 4.31Å; L54-Q101 HydrophobicContact CG-CB 4.29Å; L54-Q101 HydrophobicContact CG-CG 4.35Å; Q101-F113 VanDerWaalsContact O-CD2 3.31Å; Q101-F113 WeakPolarHBondContact O-CD2 3.2Å; Q101-R116 PolarHBondContact O-NH2 2.88Å
102L98.8Very high98.5Very high6 Ų640.1 Ų40.13%0.03121%0.206CC..  trans-147.3116.1172.6174.463.9000110T26 A50 C51 R52 E100 L104 I110 F113 L159T26-L102 HydrophobicContact CG2-CD2 3.78Å; A50-L102 HydrophobicContact CB-CB 3.99Å; A50-L102 HydrophobicContact CB-CD2 3.7Å; C51-L102 CarbonylContact C-O 3.43Å; C51-L102 VanDerWaalsContact C-O 3.31Å; C51-L102 PolarHBondContact O-N 3.33Å; R52-L102 WeakPolarHBondContact CA-O 3.44Å; R52-L102 PolarHBondContact N-O 3.45Å; E100-L102 PolarHBondContact O-N 3.24Å; L102-L104 HydrophobicContact CD2-CD2 4.3Å; L102-L104 HydrophobicContact CD2-CG 4.34Å; L102-L104 HydrophobicContact CG-CG 4.33Å; L102-I110 HydrophobicContact CD1-CB 4.47Å; L102-I110 HydrophobicContact CD1-CG1 3.93Å; L102-F113 HydrophobicContact CB-CD2 3.92Å; L102-F113 HydrophobicContact CB-CE2 4.3Å; L102-F113 HydrophobicContact CB-CG 4.21Å; L102-F113 HydrophobicContact CD1-CB 3.88Å; L102-F113 HydrophobicContact CD1-CD1 4.17Å; L102-F113 HydrophobicContact CD1-CG 3.93Å; L102-F113 HydrophobicContact CG-CG 4.48Å; L102-L159 HydrophobicContact CD2-CD2 4Å
103D98.7Very high98.5Very high44 Ų4440 Ų4024%0.23521%0.205CC..  trans-105.6108.8166.5-162.4-13.2000110.7R52 A105 S106 S109R52-D103 VanDerWaalsContact CD-CG 3.43Å; R52-D103 WeakPolarHBondContact CD-OD2 3.49Å; R52-D103 HydrophobicContact CG-CB 3.95Å; R52-D103 WeakPolarHBondContact CG-OD2 3.4Å; D103-A105 PolarHBondContact O-N 3.28Å; D103-A105 WeakPolarHBondContact OD1-CB 3.27Å; D103-A105 PolarHBondContact OD1-N 2.79Å; D103-S106 PolarHBondContact O-N 3.46Å; D103-S106 VanDerWaalsContact O-N 3.15Å; D103-S109 PolarHBondContact N-OG 2.86Å; D103-S109 WeakPolarHBondContact O-CB 3.06Å
104L98.7Very high98.5Very high13 Ų1336.4 Ų36.47%0.06819%0.186CC..THydrogen-bonded Turntrans-70.4-11.8177.9-71.6162.8000113.2L102 S106 I110 A131 V151 H156 L159L102-L104 HydrophobicContact CD2-CD2 4.3Å; L102-L104 HydrophobicContact CD2-CG 4.34Å; L102-L104 HydrophobicContact CG-CG 4.33Å; L104-S106 PolarHBondContact O-N 2.96Å; L104-I110 HydrophobicContact CD2-CD1 4.32Å; L104-I110 HydrophobicContact CD2-CG1 4.36Å; L104-A131 HydrophobicContact CD1-CB 3.46Å; L104-A131 VanDerWaalsContact CD1-CB 3.46Å; L104-V151 HydrophobicContact CB-CB 4.48Å; L104-V151 HydrophobicContact CB-CG1 4.12Å; L104-V151 HydrophobicContact CB-CG2 4.47Å; L104-V151 HydrophobicContact CD1-CG1 4.42Å; L104-H156 VanDerWaalsContact CD1-CE1 3.43Å; L104-H156 WeakPolarHBondContact CD1-CE1 3.38Å; L104-H156 VanDerWaalsContact CD1-NE2 3.32Å; L104-H156 WeakPolarHBondContact CD1-NE2 3.14Å; L104-L159 HydrophobicContact CD2-CD2 4.43Å
105A98.2Very high98.6Very high8 Ų840.3 Ų40.37%0.06619%0.191CC..THydrogen-bonded Turntrans-86.113.1171.900000112.7D103 T141 V142 M147 V151D103-A105 PolarHBondContact O-N 3.28Å; D103-A105 WeakPolarHBondContact OD1-CB 3.27Å; D103-A105 PolarHBondContact OD1-N 2.79Å; A105-T141 HydrophobicContact CB-CG2 3.95Å; A105-T141 VanDerWaalsContact O-CB 3.31Å; A105-T141 WeakPolarHBondContact O-CB 3.38Å; A105-V142 WeakPolarHBondContact O-CG2 3.42Å; A105-V142 PolarHBondContact O-N 3.17Å; A105-M147 HydrophobicContact CB-CE 4.48Å; A105-M147 HydrophobicContact CB-SD 4.04Å; A105-V151 HydrophobicContact CB-CG2 3.75Å
106S98.7Very high98.6Very high21 Ų2138.2 Ų38.215%0.14718%0.176CC..  trans-141.5115.2175.6173.80000111.5D103 L104 Q108 S109 I110 D143D103-S106 PolarHBondContact O-N 3.46Å; D103-S106 VanDerWaalsContact O-N 3.15Å; L104-S106 PolarHBondContact O-N 2.96Å; S106-Q108 PolarHBondContact O-N 2.92Å; S106-S109 WeakPolarHBondContact O-CB 3.5Å; S106-S109 PolarHBondContact O-N 3.32Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact OG-N 3.27Å; S106-S109 VanDerWaalsContact OG-N 3.16Å; S106-I110 WeakPolarHBondContact O-CG1 3.49Å; S106-I110 PolarHBondContact O-N 3.32Å; S106-I110 VanDerWaalsContact O-N 3.08Å; S106-D143 VanDerWaalsContact CA-OD2 3.26Å; S106-D143 WeakPolarHBondContact CA-OD2 3.32Å
107L98.6Very high98.7Very high22 Ų2237.6 Ų37.612%0.11517%0.172CC..Hα-helixtrans-60.3-36.8176.3-59.9-166.1000111.7I110 R111 D143 F145 L158 L317L107-I110 HydrophobicContact CD2-CD1 4.25Å; L107-I110 PolarHBondContact O-N 3.08Å; L107-R111 WeakPolarHBondContact O-CG 3.14Å; L107-R111 PolarHBondContact O-N 3.38Å; L107-R111 VanDerWaalsContact O-N 3.07Å; L107-D143 HydrophobicContact CD1-CB 4.41Å; L107-D143 HydrophobicContact CG-CB 4.08Å; L107-D143 PolarHBondContact N-OD2 2.91Å; L107-F145 HydrophobicContact CD1-CE2 3.96Å; L107-F145 HydrophobicContact CD2-CE2 4.3Å; L107-F145 HydrophobicContact CG-CE2 4.24Å; L107-L158 HydrophobicContact CB-CD2 3.94Å; L107-L158 HydrophobicContact CD2-CD2 3.75Å; L107-L158 HydrophobicContact CG-CD2 4.24Å; L107-L317 HydrophobicContact CD1-CD2 3.81Å; L107-L317 HydrophobicContact CD2-CD2 3.62Å; L107-L317 HydrophobicContact CG-CD2 4.38Å
108Q98.5Very high98.6Very high106 Ų10640.4 Ų40.450%0.49519%0.19SC..Hα-helixtrans-63-46.2174.6-178.560.22200111.6S106 I110 R111 E112S106-Q108 PolarHBondContact O-N 2.92Å; Q108-I110 VanDerWaalsContact C-N 3.26Å; Q108-I110 PolarHBondContact O-N 3.37Å; Q108-R111 PolarHBondContact O-N 3.15Å; Q108-R111 VanDerWaalsContact O-N 3.15Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.49Å; Q108-E112 PolarHBondContact NE2-OE1 3Å; Q108-E112 WeakPolarHBondContact O-CG 3.4Å; Q108-E112 PolarHBondContact O-N 3.32Å
109S98.8Very high98.5Very high14 Ų1445.1 Ų45.110%0.09821%0.214CC..Hα-helixtrans-58.6-39.2176.6-172.70000112.1D103 S106 E112 F113D103-S109 PolarHBondContact N-OG 2.86Å; D103-S109 WeakPolarHBondContact O-CB 3.06Å; S106-S109 WeakPolarHBondContact O-CB 3.5Å; S106-S109 PolarHBondContact O-N 3.32Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact OG-N 3.27Å; S106-S109 VanDerWaalsContact OG-N 3.16Å; S109-E112 PolarHBondContact O-N 2.75Å; S109-F113 WeakPolarHBondContact O-CB 3.36Å; S109-F113 PolarHBondContact O-N 2.96Å
110I98.8Very high98.5Very high0 Ų049.7 Ų49.70%023%0.233CC..Hα-helixtrans-62.8-47.9176.1-65.8158.9000110.8L102 L104 S106 L107 Q108 E112 F113 V114 G155 L158 L159 L162L102-I110 HydrophobicContact CD1-CB 4.47Å; L102-I110 HydrophobicContact CD1-CG1 3.93Å; L104-I110 HydrophobicContact CD2-CD1 4.32Å; L104-I110 HydrophobicContact CD2-CG1 4.36Å; S106-I110 WeakPolarHBondContact O-CG1 3.49Å; S106-I110 PolarHBondContact O-N 3.32Å; S106-I110 VanDerWaalsContact O-N 3.08Å; L107-I110 HydrophobicContact CD2-CD1 4.25Å; L107-I110 PolarHBondContact O-N 3.08Å; Q108-I110 VanDerWaalsContact C-N 3.26Å; Q108-I110 PolarHBondContact O-N 3.37Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-E112 PolarHBondContact O-N 2.93Å; I110-F113 PolarHBondContact O-N 3.47Å; I110-V114 WeakPolarHBondContact O-CG2 3.39Å; I110-V114 PolarHBondContact O-N 3.28Å; I110-G155 VanDerWaalsContact CD1-CA 3.41Å; I110-L158 HydrophobicContact CB-CD2 4.23Å; I110-L158 HydrophobicContact CD1-CD2 4.34Å; I110-L158 HydrophobicContact CG2-CB 4.34Å; I110-L158 HydrophobicContact CG2-CD2 4.03Å; I110-L158 HydrophobicContact CG2-CG 3.97Å; I110-L159 HydrophobicContact CG2-CB 3.96Å; I110-L159 HydrophobicContact CG2-CD1 4.21Å; I110-L162 HydrophobicContact CG2-CD1 4.37Å
111R98.5Very high98.5Very high89 Ų8949.3 Ų49.334%0.33623%0.23SC..Hα-helixtrans-61.1-43178.5-69.1175.9-168.8-73.30.7111.7L107 Q108 V114 R115 L162L107-R111 WeakPolarHBondContact O-CG 3.14Å; L107-R111 PolarHBondContact O-N 3.38Å; L107-R111 VanDerWaalsContact O-N 3.07Å; Q108-R111 PolarHBondContact O-N 3.15Å; Q108-R111 VanDerWaalsContact O-N 3.15Å; R111-V114 PolarHBondContact O-N 3.07Å; R111-R115 WeakPolarHBondContact O-CB 3.48Å; R111-R115 PolarHBondContact O-N 3.03Å; R111-L162 HydrophobicContact CG-CD1 3.87Å
112E98.8Very high98.4Very high79 Ų7949.1 Ų49.137%0.36924%0.239SC..Hα-helixtrans-65.7-41.5177.6-71.6173.6-177.100112.7Q108 S109 I110 R115 R116Q108-E112 WeakPolarHBondContact CG-OE1 3.49Å; Q108-E112 PolarHBondContact NE2-OE1 3Å; Q108-E112 WeakPolarHBondContact O-CG 3.4Å; Q108-E112 PolarHBondContact O-N 3.32Å; S109-E112 PolarHBondContact O-N 2.75Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-E112 PolarHBondContact O-N 2.93Å; E112-R115 PolarHBondContact O-N 3.18Å; E112-R116 WeakPolarHBondContact O-CG 3.48Å; E112-R116 PolarHBondContact O-N 2.95Å; E112-R116 PolarHBondContact O-NH1 3.44Å
113F98.9Very high98.2Very high0 Ų053.1 Ų53.10%026%0.258CS..Hα-helixtrans-57.7-52.1172.7171.7-93.3000110.5I24 I48 A50 E100 Q101 L102 S109 I110 R115 R116 I117 L159I24-F113 HydrophobicContact CD1-CE1 4.06Å; I24-F113 HydrophobicContact CD1-CZ 4.03Å; I24-F113 HydrophobicContact CG1-CZ 4.4Å; I24-F113 HydrophobicContact CG2-CE1 4.39Å; I24-F113 HydrophobicContact CG2-CZ 3.98Å; I48-F113 HydrophobicContact CG2-CE2 4.13Å; I48-F113 HydrophobicContact CG2-CZ 4.14Å; A50-F113 HydrophobicContact CB-CE2 3.7Å; A50-F113 HydrophobicContact CB-CZ 3.77Å; E100-F113 HydrophobicContact CB-CD2 4.04Å; E100-F113 HydrophobicContact CB-CE2 3.6Å; E100-F113 HydrophobicContact CG-CE2 4.43Å; Q101-F113 VanDerWaalsContact O-CD2 3.31Å; Q101-F113 WeakPolarHBondContact O-CD2 3.2Å; L102-F113 HydrophobicContact CB-CD2 3.92Å; L102-F113 HydrophobicContact CB-CE2 4.3Å; L102-F113 HydrophobicContact CB-CG 4.21Å; L102-F113 HydrophobicContact CD1-CB 3.88Å; L102-F113 HydrophobicContact CD1-CD1 4.17Å; L102-F113 HydrophobicContact CD1-CG 3.93Å; L102-F113 HydrophobicContact CG-CG 4.48Å; S109-F113 WeakPolarHBondContact O-CB 3.36Å; S109-F113 PolarHBondContact O-N 2.96Å; I110-F113 PolarHBondContact O-N 3.47Å; F113-R115 VanDerWaalsContact C-N 3.29Å; F113-R115 PolarHBondContact O-N 3.2Å; F113-R116 PolarHBondContact O-N 3.32Å; F113-R116 VanDerWaalsContact O-N 3.1Å; F113-I117 HydrophobicContact CD1-CG1 4.12Å; F113-I117 HydrophobicContact CD2-CG1 4.33Å; F113-I117 HydrophobicContact CE1-CG1 3.69Å; F113-I117 HydrophobicContact CE2-CD1 3.99Å; F113-I117 HydrophobicContact CE2-CG1 3.96Å; F113-I117 HydrophobicContact CG-CG1 4.43Å; F113-I117 HydrophobicContact CZ-CD1 3.99Å; F113-I117 HydrophobicContact CZ-CG1 3.61Å; F113-I117 WeakPolarHBondContact O-CG1 3.44Å; F113-I117 PolarHBondContact O-N 2.89Å; F113-L159 HydrophobicContact CD1-CD1 3.67Å; F113-L159 HydrophobicContact CE1-CD1 3.78Å
114V98.7Very high98.2Very high12 Ų1251 Ų517%0.07325%0.247CC..Hα-helixtrans-60.3-40.3179.8175.10000111.6I110 R111 R116 I117 T118 L159 L162 L163I110-V114 WeakPolarHBondContact O-CG2 3.39Å; I110-V114 PolarHBondContact O-N 3.28Å; R111-V114 PolarHBondContact O-N 3.07Å; V114-R116 PolarHBondContact O-N 3.37Å; V114-I117 PolarHBondContact O-N 2.82Å; V114-T118 HydrophobicContact CG1-CG2 3.89Å; V114-T118 WeakPolarHBondContact O-CB 3.43Å; V114-T118 WeakPolarHBondContact O-CG2 3.39Å; V114-T118 PolarHBondContact O-N 3.09Å; V114-T118 PolarHBondContact O-OG1 3.11Å; V114-L159 HydrophobicContact CG2-CD1 3.78Å; V114-L162 HydrophobicContact CB-CB 4.29Å; V114-L162 HydrophobicContact CG1-CB 3.96Å; V114-L162 HydrophobicContact CG2-CB 3.9Å; V114-L162 HydrophobicContact CG2-CD1 4.38Å; V114-L163 HydrophobicContact CG1-CD2 4.01Å; V114-L163 HydrophobicContact CG1-CG 4.47Å; V114-L163 HydrophobicContact CG2-CD2 4.1Å; V114-L163 HydrophobicContact CG2-CG 3.96Å
115R98.5Very high98.2Very high143 Ų14350.8 Ų50.854%0.5425%0.245SC..Hα-helixtrans-59-46.1174.9-168.9-168.667.377.7-1.4111.7R111 E112 F113 T118 I119R111-R115 WeakPolarHBondContact O-CB 3.48Å; R111-R115 PolarHBondContact O-N 3.03Å; E112-R115 PolarHBondContact O-N 3.18Å; F113-R115 VanDerWaalsContact C-N 3.29Å; F113-R115 PolarHBondContact O-N 3.2Å; R115-T118 PolarHBondContact O-OG1 3.39Å; R115-I119 HydrophobicContact CG-CD1 3.99Å; R115-I119 WeakPolarHBondContact O-CD1 3.44Å; R115-I119 VanDerWaalsContact O-CG1 3.27Å; R115-I119 WeakPolarHBondContact O-CG1 3.44Å; R115-I119 PolarHBondContact O-N 2.71Å
116R98.5Very high98.3Very high65 Ų6551 Ų5125%0.24525%0.245CC..Hα-helixtrans-61.5-44.2176.5-72-169.9-62.8-82-1.2111.9E100 Q101 E112 F113 V114 K120E100-R116 IonicContact OE2-NE 3.67Å; E100-R116 PolarHBondContact OE2-NE 2.85Å; E100-R116 VanDerWaalsContact OE2-NE 3.17Å; Q101-R116 PolarHBondContact O-NH2 2.88Å; E112-R116 WeakPolarHBondContact O-CG 3.48Å; E112-R116 PolarHBondContact O-N 2.95Å; E112-R116 PolarHBondContact O-NH1 3.44Å; F113-R116 PolarHBondContact O-N 3.32Å; F113-R116 VanDerWaalsContact O-N 3.1Å; V114-R116 PolarHBondContact O-N 3.37Å; R116-K120 WeakPolarHBondContact O-CB 3.45Å; R116-K120 PolarHBondContact O-N 3.47Å
117I98.5Very high98.3Very high0 Ų050.1 Ų50.10%024%0.238CC..Hα-helixtrans-64.9-49.3-180-62.8-41.7000111.2I24 I48 E100 F113 V114 I119 K120 Y121 L163 L166I24-I117 HydrophobicContact CD1-CG1 4.35Å; I24-I117 HydrophobicContact CD1-CG2 4.1Å; I48-I117 HydrophobicContact CD1-CD1 3.87Å; I48-I117 HydrophobicContact CG2-CD1 4.24Å; E100-I117 HydrophobicContact CG-CD1 3.93Å; F113-I117 HydrophobicContact CD1-CG1 4.12Å; F113-I117 HydrophobicContact CD2-CG1 4.33Å; F113-I117 HydrophobicContact CE1-CG1 3.69Å; F113-I117 HydrophobicContact CE2-CD1 3.99Å; F113-I117 HydrophobicContact CE2-CG1 3.96Å; F113-I117 HydrophobicContact CG-CG1 4.43Å; F113-I117 HydrophobicContact CZ-CD1 3.99Å; F113-I117 HydrophobicContact CZ-CG1 3.61Å; F113-I117 WeakPolarHBondContact O-CG1 3.44Å; F113-I117 PolarHBondContact O-N 2.89Å; V114-I117 PolarHBondContact O-N 2.82Å; I117-I119 VanDerWaalsContact C-N 3.28Å; I117-I119 PolarHBondContact O-N 2.79Å; I117-K120 PolarHBondContact O-N 2.57Å; I117-K120 VanDerWaalsContact O-N 3.11Å; I117-Y121 HydrophobicContact CB-CD2 4.5Å; I117-Y121 HydrophobicContact CD1-CD2 4.34Å; I117-Y121 HydrophobicContact CD1-CE2 4.05Å; I117-Y121 HydrophobicContact CG2-CD2 3.95Å; I117-Y121 WeakPolarHBondContact O-CD2 2.97Å; I117-Y121 PolarHBondContact O-N 2.92Å; I117-L163 HydrophobicContact CG2-CD2 4.28Å; I117-L166 HydrophobicContact CG2-CD2 3.82Å
118T97.3Very high98.3Very high59 Ų5949 Ų4936%0.36223%0.232SC..Hα-helixtrans-69.3-23.1-174.750.70000113.8V114 R115 L166V114-T118 HydrophobicContact CG1-CG2 3.89Å; V114-T118 WeakPolarHBondContact O-CB 3.43Å; V114-T118 WeakPolarHBondContact O-CG2 3.39Å; V114-T118 PolarHBondContact O-N 3.09Å; V114-T118 PolarHBondContact O-OG1 3.11Å; R115-T118 PolarHBondContact O-OG1 3.39Å; T118-L166 HydrophobicContact CG2-CD2 4.34Å
119I97.7Very high98.3Very high122 Ų12244.1 Ų44.163%0.62621%0.209SC*.Hα-helixtrans-74.7-39170.5-71.1168.8000111.3R115 I117R115-I119 HydrophobicContact CG-CD1 3.99Å; R115-I119 WeakPolarHBondContact O-CD1 3.44Å; R115-I119 VanDerWaalsContact O-CG1 3.27Å; R115-I119 WeakPolarHBondContact O-CG1 3.44Å; R115-I119 PolarHBondContact O-N 2.71Å; I117-I119 VanDerWaalsContact C-N 3.28Å; I117-I119 PolarHBondContact O-N 2.79Å
120K97.9Very high98.3Very high124 Ų12444.3 Ų44.354%0.53921%0.21SC..Hα-helixtrans-89.8-25.7-170.3-173170.9176.6178.80113.8R116 I117R116-K120 WeakPolarHBondContact O-CB 3.45Å; R116-K120 PolarHBondContact O-N 3.47Å; I117-K120 PolarHBondContact O-N 2.57Å; I117-K120 VanDerWaalsContact O-N 3.11Å
121Y97.9Very high98.1Very high17 Ų1745 Ų457%0.06722%0.215CC..  trans-129.2132-173.2-52.8-78.8000111.3L22 I48 I98 I117 L166L22-Y121 HydrophobicContact CD1-CD1 4.47Å; L22-Y121 HydrophobicContact CD1-CE1 4.36Å; L22-Y121 HydrophobicContact CD2-CD1 3.58Å; L22-Y121 HydrophobicContact CD2-CD2 4.19Å; L22-Y121 HydrophobicContact CD2-CE1 4.19Å; L22-Y121 HydrophobicContact CD2-CG 3.58Å; I48-Y121 HydrophobicContact CD1-CD2 4.09Å; I48-Y121 HydrophobicContact CD1-CE2 3.74Å; I48-Y121 HydrophobicContact CG1-CE2 4.41Å; I98-Y121 HydrophobicContact CD1-CE1 4.47Å; I98-Y121 WeakPolarHBondContact CD1-OH 3.37Å; I117-Y121 HydrophobicContact CB-CD2 4.5Å; I117-Y121 HydrophobicContact CD1-CD2 4.34Å; I117-Y121 HydrophobicContact CD1-CE2 4.05Å; I117-Y121 HydrophobicContact CG2-CD2 3.95Å; I117-Y121 WeakPolarHBondContact O-CD2 2.97Å; I117-Y121 PolarHBondContact O-N 2.92Å; Y121-L166 WeakPolarHBondContact O-CD1 3.26Å
122S96.5Very high97.8Very high87 Ų8741.9 Ų41.961%0.60821%0.211SC*.SBendtrans-84.1-19.5174.949.60000113.1L166S122-L166 WeakPolarHBondContact O-CD1 3.44Å
123E96.4Very high97.4Very high91 Ų9139.4 Ų39.443%0.42520%0.2SC..  trans-134.6148.3-174.8-60.8-179.5156.800112.6L22 H125 S170L22-E123 WeakPolarHBondContact CD2-O 3.5Å; E123-H125 IonicContact OE2-CE1 2.66Å; E123-H125 PolarHBondContact OE2-CE1 3.25Å; E123-S170 WeakPolarHBondContact CA-OG 3.45Å
124L98.6Very high96.8Very high0 Ų039.5 Ų39.50%020%0.201CC..  trans-145.5109172176.560.3000109.7L22 I24 F126 L163 L166 I167 S170L22-L124 HydrophobicContact CG-CD1 4.49Å; I24-L124 HydrophobicContact CB-CD1 4.28Å; I24-L124 HydrophobicContact CD1-CD1 3.79Å; I24-L124 HydrophobicContact CD1-CD2 3.62Å; I24-L124 HydrophobicContact CD1-CG 4.37Å; I24-L124 HydrophobicContact CG1-CD1 3.71Å; I24-L124 HydrophobicContact CG1-CD2 4.42Å; L124-F126 WeakPolarHBondContact CD1-O 3.45Å; L124-L163 HydrophobicContact CD2-CB 4.31Å; L124-L163 HydrophobicContact CD2-CD1 4Å; L124-L163 HydrophobicContact CD2-CD2 4.13Å; L124-L163 HydrophobicContact CD2-CG 4.39Å; L124-L166 HydrophobicContact CB-CD2 3.73Å; L124-L166 HydrophobicContact CB-CG 3.73Å; L124-L166 HydrophobicContact CD2-CD2 4.28Å; L124-I167 HydrophobicContact CB-CG1 4.31Å; L124-I167 HydrophobicContact CD2-CD1 4.13Å; L124-I167 HydrophobicContact CD2-CG1 3.68Å; L124-I167 HydrophobicContact CG-CG1 4.02Å; L124-S170 PolarHBondContact N-OG 3.11Å; L124-S170 WeakPolarHBondContact O-CB 3.24Å; L124-S170 PolarHBondContact O-OG 2.96Å
125H98.7Very high96.2Very high8 Ų839.4 Ų39.44%0.03720%0.2CC..  trans-90.8-31.9-172.8-6490.5000112.8K21 L22 E123 S170 S173 R174K21-H125 HydrophobicContact CB-CB 4.22Å; K21-H125 HydrophobicContact CD-CB 4.06Å; K21-H125 WeakPolarHBondContact CD-CD2 3.3Å; K21-H125 VanDerWaalsContact CD-CG 3.49Å; K21-H125 WeakPolarHBondContact CD-NE2 3.34Å; K21-H125 PolarHBondContact NZ-CD2 3.48Å; K21-H125 VanDerWaalsContact NZ-CD2 3.35Å; K21-H125 PolarHBondContact NZ-NE2 2.87Å; L22-H125 PolarHBondContact N-ND1 3.44Å; L22-H125 WeakPolarHBondContact O-CB 3.44Å; L22-H125 PolarHBondContact O-N 2.8Å; E123-H125 IonicContact OE2-CE1 2.66Å; E123-H125 PolarHBondContact OE2-CE1 3.25Å; H125-S170 PolarHBondContact CD2-O 3.32Å; H125-S173 CarbonylContact O-C 3.59Å; H125-S173 WeakPolarHBondContact O-CA 3.32Å; H125-S173 VanDerWaalsContact O-CB 3.26Å; H125-S173 WeakPolarHBondContact O-CB 3.45Å; H125-R174 PolarHBondContact O-N 3.46Å
126F98.9Very high95.3Very high13 Ų1334 Ų346%0.05719%0.185CC..EExtended strand (participates in β ladder)trans-133.9124.4-178.9-53.9-76.4000111.4L18 K21 L22 A23 I24 L124 I128 R174 V277L18-F126 HydrophobicContact CD1-CE2 4.5Å; L18-F126 HydrophobicContact CD2-CE2 3.93Å; L18-F126 HydrophobicContact CD2-CZ 3.87Å; K21-F126 HydrophobicContact CB-CD2 4.38Å; K21-F126 HydrophobicContact CB-CE2 3.82Å; K21-F126 HydrophobicContact CG-CE2 4.17Å; L22-F126 PolarHBondContact O-N 3.23Å; L22-F126 VanDerWaalsContact O-N 3.14Å; A23-F126 CarbonylContact C-O 3.53Å; A23-F126 VanDerWaalsContact CA-O 3.26Å; A23-F126 WeakPolarHBondContact CA-O 3.26Å; A23-F126 HydrophobicContact CB-CB 3.85Å; A23-F126 HydrophobicContact CB-CD2 4.29Å; I24-F126 PolarHBondContact N-O 2.82Å; L124-F126 WeakPolarHBondContact CD1-O 3.45Å; F126-I128 HydrophobicContact CB-CD1 3.66Å; F126-R174 WeakPolarHBondContact CA-O 3.43Å; F126-R174 HydrophobicContact CD1-CB 3.97Å; F126-R174 HydrophobicContact CD1-CG 4.13Å; F126-R174 HydrophobicContact CE1-CB 4.33Å; F126-R174 HydrophobicContact CE1-CG 3.98Å; F126-V277 HydrophobicContact CD1-CG1 3.94Å; F126-V277 HydrophobicContact CE1-CG1 3.71Å; F126-V277 HydrophobicContact CE2-CG1 4.43Å; F126-V277 HydrophobicContact CG-CG1 4.43Å; F126-V277 HydrophobicContact CZ-CG1 3.97Å
127L98.9Very high94.7Very high1 Ų136.2 Ų36.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-109.9113.2166176.360.9000109I24 L159 T160 L163 I167 R174 I175 I176I24-L127 HydrophobicContact CB-CD1 4.03Å; I24-L127 HydrophobicContact CG2-CD1 3.94Å; L127-L159 HydrophobicContact CD1-CD2 4.3Å; L127-T160 HydrophobicContact CD2-CG2 4.22Å; L127-L163 HydrophobicContact CD1-CD1 4Å; L127-L163 HydrophobicContact CD2-CD1 4.21Å; L127-I167 HydrophobicContact CB-CD1 4.05Å; L127-I167 HydrophobicContact CD2-CD1 3.96Å; L127-R174 PolarHBondContact N-O 3.08Å; L127-I175 HydrophobicContact CB-CG1 4.38Å; L127-I175 HydrophobicContact CD2-CG2 4.36Å; L127-I175 WeakPolarHBondContact O-CA 3.34Å; L127-I176 PolarHBondContact O-N 3.3Å
128I98.9Very high94.3Very high0 Ų039.4 Ų39.40%021%0.211CC..EExtended strand (participates in β ladder)trans-106.497.8178.1-53.776.9000108.1A23 I24 V25 T26 T36 L40 F126 N130 I176 L178 T273A23-I128 HydrophobicContact CB-CD1 4.1Å; I24-I128 WeakPolarHBondContact O-CD1 3.1Å; I24-I128 PolarHBondContact O-N 3.4Å; V25-I128 HydrophobicContact CG1-CB 4.39Å; V25-I128 HydrophobicContact CG1-CG2 4.47Å; V25-I128 HydrophobicContact CG2-CB 4.2Å; V25-I128 HydrophobicContact CG2-CD1 3.94Å; V25-I128 HydrophobicContact CG2-CG1 4.26Å; T26-I128 PolarHBondContact N-O 3.03Å; T26-I128 VanDerWaalsContact N-O 3.09Å; T26-I128 PolarHBondContact OG1-O 3.21Å; T36-I128 HydrophobicContact CG2-CG1 4.39Å; T36-I128 HydrophobicContact CG2-CG2 4.35Å; L40-I128 HydrophobicContact CD1-CD1 3.94Å; F126-I128 HydrophobicContact CB-CD1 3.66Å; I128-N130 HydrophobicContact CG2-CB 3.87Å; I128-N130 PolarHBondContact O-N 3.08Å; I128-I176 HydrophobicContact CG1-CD1 4.48Å; I128-L178 HydrophobicContact CG2-CD2 3.75Å; I128-T273 HydrophobicContact CG2-CG2 4.11Å
129N98.9Very high94.1Very high2 Ų242.5 Ų42.51%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-76.273.5173.9-70.6-22.7000109.2H156 T160 I176 I177 L178N129-H156 HydrophobicContact CB-CB 4.29Å; N129-H156 PolarHBondContact OD1-CD2 2.99Å; N129-H156 VanDerWaalsContact OD1-CD2 3.31Å; N129-T160 PolarHBondContact ND2-OG1 2.75Å; N129-I176 PolarHBondContact N-O 3.03Å; N129-I177 HydrophobicContact CB-CG2 4.35Å; N129-L178 WeakPolarHBondContact O-CB 3.31Å; N129-L178 PolarHBondContact O-N 3.27Å
130N98.2Very high94Very high19 Ų1942.1 Ų42.110%0.10222%0.215CC..  trans-94.3-36.3-172.8159.990.3000113.9V25 T26 I32 G33 I128 G132 L178V25-N130 HydrophobicContact CG1-CB 4.27Å; T26-N130 WeakPolarHBondContact O-CB 3.4Å; T26-N130 PolarHBondContact O-ND2 2.87Å; T26-N130 PolarHBondContact OG1-N 3.45Å; I32-N130 WeakPolarHBondContact CG2-OD1 3.37Å; G33-N130 WeakPolarHBondContact CA-ND2 3.44Å; G33-N130 PolarHBondContact N-ND2 2.9Å; G33-N130 PolarHBondContact N-OD1 3.24Å; I128-N130 HydrophobicContact CG2-CB 3.87Å; I128-N130 PolarHBondContact O-N 3.08Å; N130-G132 PolarHBondContact O-N 2.97Å; N130-L178 HydrophobicContact CB-CD2 3.98Å; N130-L178 HydrophobicContact CB-CG 4.08Å
131A94.6Very high94Very high13 Ų1336.7 Ų36.711%0.10719%0.192CC..  trans-52.9144.1-173.600000111.3T26 L104 H156T26-A131 PolarHBondContact O-N 3.38Å; T26-A131 WeakPolarHBondContact OG1-CB 3.5Å; T26-A131 PolarHBondContact OG1-N 3.11Å; L104-A131 HydrophobicContact CD1-CB 3.46Å; L104-A131 VanDerWaalsContact CD1-CB 3.46Å; A131-H156 PolarHBondContact O-CE1 3.23Å
132G91.9Very high94Very high25 Ų2541.5 Ų41.526%0.25822%0.223SC..  trans-173.5158.2174.500000111.9N130 N152N130-G132 PolarHBondContact O-N 2.97Å; G132-N152 WeakPolarHBondContact CA-OD1 3.49Å
133L90.6Very high94.1Very high26 Ų2640.2 Ų40.214%0.13621%0.209CC..  trans-147168.5179.457.370.9000110.4V135 M147 V151 N152 Y206L133-V135 HydrophobicContact CD1-CG1 3.94Å; L133-M147 HydrophobicContact CD1-CG 4.23Å; L133-M147 HydrophobicContact CD2-CG 4.47Å; L133-M147 HydrophobicContact CD2-SD 4.5Å; L133-V151 HydrophobicContact CD2-CB 4.09Å; L133-V151 HydrophobicContact CD2-CG1 3.98Å; L133-V151 HydrophobicContact CD2-CG2 3.97Å; L133-V151 HydrophobicContact CG-CB 4.08Å; L133-V151 HydrophobicContact CG-CG1 3.94Å; L133-V151 HydrophobicContact CG-CG2 4.49Å; L133-N152 PolarHBondContact N-OD1 2.89Å; L133-N152 PolarHBondContact O-ND2 3.47Å; L133-N152 PolarHBondContact O-OD1 3.39Å; L133-Y206 WeakPolarHBondContact O-CD2 3.42Å
134A86.8Confident94.1Very high2 Ų237.7 Ų37.72%0.01721%0.207CC..  trans-133.3136.1160.600000106.8E202 Y206 I243A134-E202 HydrophobicContact CB-CG 4.11Å; A134-Y206 HydrophobicContact CB-CD2 3.87Å; A134-Y206 HydrophobicContact CB-CE2 4.44Å; A134-Y206 HydrophobicContact CB-CG 4.35Å; A134-I243 HydrophobicContact CB-CG2 4.48Å
135V85.1Confident94Very high10 Ų1038.6 Ų38.66%0.06121%0.211CC..  trans-109.9137.2178.2-64.10000110.7L133 K137 M147 Y200 E202L133-V135 HydrophobicContact CD1-CG1 3.94Å; V135-K137 WeakPolarHBondContact CG2-O 3.34Å; V135-M147 HydrophobicContact CG1-CB 4.45Å; V135-M147 HydrophobicContact CG1-CG 3.79Å; V135-M147 HydrophobicContact CG2-CB 4.17Å; V135-M147 HydrophobicContact CG2-CG 4.39Å; V135-Y200 VanDerWaalsContact CG2-OH 3.31Å; V135-Y200 WeakPolarHBondContact CG2-OH 3.33Å; V135-Y200 PolarHBondContact O-OH 3Å; V135-E202 VanDerWaalsContact O-CG 3.27Å; V135-E202 WeakPolarHBondContact O-CG 3.21Å
136S81.1Confident93.9Very high31 Ų3138.4 Ų38.422%0.21721%0.211CC..SBendtrans-72.1-31.7179.550.80000114Y200 E202 D246S136-Y200 WeakPolarHBondContact O-CE1 3.4Å; S136-E202 WeakPolarHBondContact CA-OE2 3.42Å; S136-D246 WeakPolarHBondContact CB-O 3.16Å; S136-D246 PolarHBondContact OG-O 2.75Å
137K85.8Confident93.8Very high111 Ų11139.2 Ų39.248%0.48322%0.215SC..SBendtrans-113.9141.9-178.6-67.1173.7-179.1152.20109.2V135 K139 E248V135-K137 WeakPolarHBondContact CG2-O 3.34Å; K137-K139 PolarHBondContact O-N 3.28Å; K137-E248 WeakPolarHBondContact CE-OE2 3.25Å; K137-E248 IonicContact NZ-OE1 2.87Å; K137-E248 PolarHBondContact NZ-OE1 3.24Å; K137-E248 IonicContact NZ-OE2 3.98Å; K137-E248 PolarHBondContact NZ-OE2 2.64Å
138Q88.8Confident93.6Very high67 Ų6739.2 Ų39.231%0.31322%0.215SC..  trans-55.3126.8173.5-171.7-112.7-15.700109.2P197 Y200Q138-P197 HydrophobicContact CG-CB 4.47Å; Q138-Y200 HydrophobicContact CB-CD1 4.23Å; Q138-Y200 HydrophobicContact CB-CD2 3.71Å; Q138-Y200 HydrophobicContact CB-CE2 4.27Å; Q138-Y200 HydrophobicContact CB-CG 3.7Å; Q138-Y200 HydrophobicContact CG-CD2 3.9Å; Q138-Y200 HydrophobicContact CG-CG 4.29Å
139K93.8Very high93.5Very high124 Ų12439.4 Ų39.454%0.53922%0.216SC..  trans-145.2157.3178.1-72.5-174.9-179.8-179.30108.1K137 M147K137-K139 PolarHBondContact O-N 3.28Å; K139-M147 HydrophobicContact CB-CB 4.06Å; K139-M147 VanDerWaalsContact O-CB 3.32Å; K139-M147 WeakPolarHBondContact O-CB 3.15Å; K139-M147 PolarHBondContact O-N 3.04Å
140E96.1Very high93.5Very high114 Ų11439.4 Ų39.453%0.53322%0.216SC..BIsolated β-bridgetrans-115.3150.3177.9-67.9174179.900111.2F145 M147E140-F145 CarbonylContact C-O 3.4Å; E140-F145 WeakPolarHBondContact CA-O 3.38Å; E140-M147 WeakPolarHBondContact O-CE 3.48Å
141T97.6Very high93.4Very high10 Ų1039 Ų396%0.06122%0.215CC..  trans-67.1169.7165.364.30000110.1A105 D143 G144 F145 M147A105-T141 HydrophobicContact CB-CG2 3.95Å; A105-T141 VanDerWaalsContact O-CB 3.31Å; A105-T141 WeakPolarHBondContact O-CB 3.38Å; T141-D143 PolarHBondContact O-N 2.94Å; T141-G144 PolarHBondContact O-N 3.43Å; T141-F145 HydrophobicContact CG2-CB 4.29Å; T141-F145 PolarHBondContact N-O 3.39Å; T141-F145 WeakPolarHBondContact OG1-CB 3.35Å; T141-F145 PolarHBondContact OG1-N 3.02Å; T141-F145 PolarHBondContact OG1-O 2.69Å; T141-M147 HydrophobicContact CG2-SD 4.3Å
142V98.1Very high93.6Very high117 Ų11738.4 Ų38.471%0.70921%0.21SC*.THydrogen-bonded Turntrans-64-23.1176.8-56.70000112.6A105 G144A105-V142 WeakPolarHBondContact O-CG2 3.42Å; A105-V142 PolarHBondContact O-N 3.17Å; V142-G144 VanDerWaalsContact C-N 3.34Å
143D97.9Very high93.9Very high61 Ų6137.3 Ų37.333%0.32620%0.197SC..THydrogen-bonded Turntrans-909.4176.3-44-86.6000113.9S106 L107 T141 F145S106-D143 VanDerWaalsContact CA-OD2 3.26Å; S106-D143 WeakPolarHBondContact CA-OD2 3.32Å; L107-D143 HydrophobicContact CD1-CB 4.41Å; L107-D143 HydrophobicContact CG-CB 4.08Å; L107-D143 PolarHBondContact N-OD2 2.91Å; T141-D143 PolarHBondContact O-N 2.94Å; D143-F145 HydrophobicContact CB-CD2 3.98Å; D143-F145 HydrophobicContact CB-CE2 3.84Å
144G96.5Very high94.3Very high37 Ų3736 Ų3638%0.38119%0.191SC..SBendtrans79.319175.500000115.6T141 V142T141-G144 PolarHBondContact O-N 3.43Å; V142-G144 VanDerWaalsContact C-N 3.34Å
145F97.3Very high94.9Very high19 Ų1936 Ų368%0.08319%0.191CC..  trans-92.7148.1173.9-58.6-63.5000112L107 E140 T141 D143 M147 F154 L316 L317L107-F145 HydrophobicContact CD1-CE2 3.96Å; L107-F145 HydrophobicContact CD2-CE2 4.3Å; L107-F145 HydrophobicContact CG-CE2 4.24Å; E140-F145 CarbonylContact C-O 3.4Å; E140-F145 WeakPolarHBondContact CA-O 3.38Å; T141-F145 HydrophobicContact CG2-CB 4.29Å; T141-F145 PolarHBondContact N-O 3.39Å; T141-F145 WeakPolarHBondContact OG1-CB 3.35Å; T141-F145 PolarHBondContact OG1-N 3.02Å; T141-F145 PolarHBondContact OG1-O 2.69Å; D143-F145 HydrophobicContact CB-CD2 3.98Å; D143-F145 HydrophobicContact CB-CE2 3.84Å; F145-M147 PolarHBondContact O-N 3.35Å; F145-F154 HydrophobicContact CB-CD2 3.82Å; F145-F154 HydrophobicContact CB-CE2 4.03Å; F145-F154 AromaticContact CD1-CD2 3.8Å; F145-F154 HydrophobicContact CD1-CD2 3.8Å; F145-F154 AromaticContact CD1-CE2 3.7Å; F145-F154 HydrophobicContact CD1-CE2 3.7Å; F145-F154 HydrophobicContact CD2-CD2 4.16Å; F145-F154 HydrophobicContact CE1-CD2 4.44Å; F145-F154 HydrophobicContact CE1-CE2 4.43Å; F145-F154 AromaticContact CG-CD2 3.65Å; F145-F154 HydrophobicContact CG-CD2 3.65Å; F145-F154 AromaticContact CG-CE2 3.95Å; F145-F154 HydrophobicContact CG-CE2 3.95Å; F145-L316 HydrophobicContact CE1-CB 4.14Å; F145-L317 HydrophobicContact CE2-CD2 4.21Å; F145-L317 HydrophobicContact CZ-CD2 4.3Å
146E96.5Very high95.5Very high5 Ų535.6 Ų35.62%0.02319%0.188CC..BIsolated β-bridgetrans-52.7126.4168.3-173.1-73.113300109.7T148 M149 G150 Q194 V195 Y200 V205E146-T148 VanDerWaalsContact C-N 3.34Å; E146-T148 VanDerWaalsContact CD-N 3.25Å; E146-T148 PolarHBondContact O-N 2.98Å; E146-T148 WeakPolarHBondContact OE1-CB 3.31Å; E146-T148 PolarHBondContact OE1-N 3.36Å; E146-T148 PolarHBondContact OE1-OG1 3.13Å; E146-T148 WeakPolarHBondContact OE2-CA 3.36Å; E146-T148 WeakPolarHBondContact OE2-CB 3.41Å; E146-T148 PolarHBondContact OE2-N 3.49Å; E146-T148 VanDerWaalsContact OE2-N 3.13Å; E146-M149 PolarHBondContact O-N 2.92Å; E146-M149 WeakPolarHBondContact OE2-CB 3.49Å; E146-M149 WeakPolarHBondContact OE2-CG 3.31Å; E146-M149 PolarHBondContact OE2-N 2.83Å; E146-G150 PolarHBondContact O-N 2.83Å; E146-Q194 HydrophobicContact CB-CB 4.48Å; E146-V195 HydrophobicContact CG-CG2 4.4Å; E146-Y200 HydrophobicContact CG-CE2 4.41Å; E146-V205 HydrophobicContact CG-CG1 4.34Å; E146-V205 WeakPolarHBondContact OE2-CG1 3.44Å
147M96.2Very high96.3Very high30 Ų3034.2 Ų34.215%0.14818%0.178CC..Hα-helixtrans-54.4-42-166.2178.961.365.300114.5A105 L133 V135 K139 E140 T141 F145 V151A105-M147 HydrophobicContact CB-CE 4.48Å; A105-M147 HydrophobicContact CB-SD 4.04Å; L133-M147 HydrophobicContact CD1-CG 4.23Å; L133-M147 HydrophobicContact CD2-CG 4.47Å; L133-M147 HydrophobicContact CD2-SD 4.5Å; V135-M147 HydrophobicContact CG1-CB 4.45Å; V135-M147 HydrophobicContact CG1-CG 3.79Å; V135-M147 HydrophobicContact CG2-CB 4.17Å; V135-M147 HydrophobicContact CG2-CG 4.39Å; K139-M147 HydrophobicContact CB-CB 4.06Å; K139-M147 VanDerWaalsContact O-CB 3.32Å; K139-M147 WeakPolarHBondContact O-CB 3.15Å; K139-M147 PolarHBondContact O-N 3.04Å; E140-M147 WeakPolarHBondContact O-CE 3.48Å; T141-M147 HydrophobicContact CG2-SD 4.3Å; F145-M147 PolarHBondContact O-N 3.35Å; M147-V151 WeakPolarHBondContact O-CB 3.45Å; M147-V151 WeakPolarHBondContact O-CG2 3.48Å; M147-V151 PolarHBondContact O-N 2.87Å; M147-V151 HydrophobicContact SD-CG2 3.92Å
148T95Very high97Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-70-47.5-178.8-540000111.5E146 N152 V205 Y206E146-T148 VanDerWaalsContact C-N 3.34Å; E146-T148 VanDerWaalsContact CD-N 3.25Å; E146-T148 PolarHBondContact O-N 2.98Å; E146-T148 WeakPolarHBondContact OE1-CB 3.31Å; E146-T148 PolarHBondContact OE1-N 3.36Å; E146-T148 PolarHBondContact OE1-OG1 3.13Å; E146-T148 WeakPolarHBondContact OE2-CA 3.36Å; E146-T148 WeakPolarHBondContact OE2-CB 3.41Å; E146-T148 PolarHBondContact OE2-N 3.49Å; E146-T148 VanDerWaalsContact OE2-N 3.13Å; T148-N152 WeakPolarHBondContact CG2-ND2 3.13Å; T148-N152 WeakPolarHBondContact O-CB 3.5Å; T148-N152 PolarHBondContact O-N 3.24Å; T148-V205 HydrophobicContact CG2-CG1 3.94Å; T148-Y206 HydrophobicContact CG2-CD2 4.25Å
149M97.4Very high97.4Very high4 Ų425.7 Ų25.72%0.0214%0.14CC..Hα-helixtrans-63.7-42.7174.5-73.6-60.4-59.200111.3E146 Y153 F154 L193 V205 S209 A212E146-M149 PolarHBondContact O-N 2.92Å; E146-M149 WeakPolarHBondContact OE2-CB 3.49Å; E146-M149 WeakPolarHBondContact OE2-CG 3.31Å; E146-M149 PolarHBondContact OE2-N 2.83Å; M149-Y153 HydrophobicContact CE-CD1 3.81Å; M149-Y153 HydrophobicContact CE-CG 4.37Å; M149-Y153 CarbonylContact O-C 3.59Å; M149-Y153 WeakPolarHBondContact O-CA 3.32Å; M149-Y153 WeakPolarHBondContact O-CB 3.26Å; M149-Y153 PolarHBondContact O-N 3.04Å; M149-F154 HydrophobicContact CB-CD2 4.33Å; M149-F154 HydrophobicContact CB-CE2 3.93Å; M149-F154 HydrophobicContact CB-CZ 4.34Å; M149-F154 HydrophobicContact CE-CE1 4.39Å; M149-F154 HydrophobicContact CE-CZ 4.32Å; M149-F154 PolarHBondContact O-N 3.48Å; M149-L193 HydrophobicContact CE-CB 4.19Å; M149-V205 HydrophobicContact CG-CG1 4.15Å; M149-S209 WeakPolarHBondContact SD-CA 3.44Å; M149-S209 VanDerWaalsContact SD-CB 3.53Å; M149-S209 PolarHBondContact SD-N 2.87Å; M149-A212 HydrophobicContact CE-CB 4.48Å
150G97.9Very high97.7Very high2 Ų219.8 Ų19.82%0.02112%0.115CC..Iπ-helixtrans-52.4-57174.600000112.1E146 G155E146-G150 PolarHBondContact O-N 2.83Å; G150-G155 PolarHBondContact O-N 3.23Å
151V97.6Very high97.7Very high12 Ų1215.1 Ų15.17%0.0739%0.093CC..Iπ-helixtrans-76.8-47.9-177.3171.30000112.7L104 A105 L133 M147 H156L104-V151 HydrophobicContact CB-CB 4.48Å; L104-V151 HydrophobicContact CB-CG1 4.12Å; L104-V151 HydrophobicContact CB-CG2 4.47Å; L104-V151 HydrophobicContact CD1-CG1 4.42Å; A105-V151 HydrophobicContact CB-CG2 3.75Å; L133-V151 HydrophobicContact CD2-CB 4.09Å; L133-V151 HydrophobicContact CD2-CG1 3.98Å; L133-V151 HydrophobicContact CD2-CG2 3.97Å; L133-V151 HydrophobicContact CG-CB 4.08Å; L133-V151 HydrophobicContact CG-CG1 3.94Å; L133-V151 HydrophobicContact CG-CG2 4.49Å; M147-V151 WeakPolarHBondContact O-CB 3.45Å; M147-V151 WeakPolarHBondContact O-CG2 3.48Å; M147-V151 PolarHBondContact O-N 2.87Å; M147-V151 HydrophobicContact SD-CG2 3.92Å; V151-H156 PolarHBondContact O-ND1 3.28Å
152N97.5Very high97.8Very high0 Ų016.3 Ų16.30%010%0.098CC..Iπ-helixtrans-73.6-32.6-170.5-65.9-2.1000112.1G132 L133 T148 H156 S209 N213G132-N152 WeakPolarHBondContact CA-OD1 3.49Å; L133-N152 PolarHBondContact N-OD1 2.89Å; L133-N152 PolarHBondContact O-ND2 3.47Å; L133-N152 PolarHBondContact O-OD1 3.39Å; T148-N152 WeakPolarHBondContact CG2-ND2 3.13Å; T148-N152 WeakPolarHBondContact O-CB 3.5Å; T148-N152 PolarHBondContact O-N 3.24Å; N152-H156 PolarHBondContact O-ND1 3.44Å; N152-H156 VanDerWaalsContact O-ND1 3.12Å; N152-S209 PolarHBondContact ND2-OG 3.05Å; N152-N213 PolarHBondContact O-ND2 3.32Å; N152-N213 PolarHBondContact O-OD1 2.54Å
153Y98.6Very high97.7Very high1 Ų110.7 Ų10.70%0.0047%0.065CC..Iπ-helixtrans-122.6-65.1-171.7178.3-118.2000113.2M149 G155 H156 F157 L193 A212 H216 L309 T313M149-Y153 HydrophobicContact CE-CD1 3.81Å; M149-Y153 HydrophobicContact CE-CG 4.37Å; M149-Y153 CarbonylContact O-C 3.59Å; M149-Y153 WeakPolarHBondContact O-CA 3.32Å; M149-Y153 WeakPolarHBondContact O-CB 3.26Å; M149-Y153 PolarHBondContact O-N 3.04Å; Y153-G155 PolarHBondContact O-N 2.76Å; Y153-H156 PolarHBondContact O-N 2.87Å; Y153-H156 VanDerWaalsContact O-N 3.17Å; Y153-F157 HydrophobicContact CE2-CB 4.48Å; Y153-F157 HydrophobicContact CE2-CD2 4.01Å; Y153-F157 AromaticContact CZ-CD2 3.91Å; Y153-F157 WeakPolarHBondContact O-CB 3.36Å; Y153-F157 PolarHBondContact O-N 3.34Å; Y153-F157 WeakPolarHBondContact OH-CD2 3.26Å; Y153-L193 HydrophobicContact CE1-CD1 4.31Å; Y153-A212 HydrophobicContact CD1-CB 3.82Å; Y153-A212 HydrophobicContact CD2-CB 3.57Å; Y153-A212 HydrophobicContact CE1-CB 4.01Å; Y153-A212 HydrophobicContact CE2-CB 3.79Å; Y153-A212 HydrophobicContact CG-CB 3.6Å; Y153-H216 HydrophobicContact CE2-CB 3.89Å; Y153-L309 HydrophobicContact CE1-CD1 3.89Å; Y153-L309 WeakPolarHBondContact OH-CG 3.35Å; Y153-T313 HydrophobicContact CE1-CG2 3.78Å; Y153-T313 VanDerWaalsContact CE1-OG1 3.29Å; Y153-T313 WeakPolarHBondContact CE1-OG1 3.22Å; Y153-T313 PolarHBondContact OH-OG1 3.34Å
154F98.6Very high97.7Very high0 Ų08.2 Ų8.20%05%0.051CC..Iπ-helixtrans-59.2-44.5-171.8-62.6-34000113.1F145 M149 F157 L158 L193 Q194 T313 L316 L317F145-F154 HydrophobicContact CB-CD2 3.82Å; F145-F154 HydrophobicContact CB-CE2 4.03Å; F145-F154 AromaticContact CD1-CD2 3.8Å; F145-F154 HydrophobicContact CD1-CD2 3.8Å; F145-F154 AromaticContact CD1-CE2 3.7Å; F145-F154 HydrophobicContact CD1-CE2 3.7Å; F145-F154 HydrophobicContact CD2-CD2 4.16Å; F145-F154 HydrophobicContact CE1-CD2 4.44Å; F145-F154 HydrophobicContact CE1-CE2 4.43Å; F145-F154 AromaticContact CG-CD2 3.65Å; F145-F154 HydrophobicContact CG-CD2 3.65Å; F145-F154 AromaticContact CG-CE2 3.95Å; F145-F154 HydrophobicContact CG-CE2 3.95Å; M149-F154 HydrophobicContact CB-CD2 4.33Å; M149-F154 HydrophobicContact CB-CE2 3.93Å; M149-F154 HydrophobicContact CB-CZ 4.34Å; M149-F154 HydrophobicContact CE-CE1 4.39Å; M149-F154 HydrophobicContact CE-CZ 4.32Å; M149-F154 PolarHBondContact O-N 3.48Å; F154-F157 WeakPolarHBondContact O-CB 3.43Å; F154-F157 PolarHBondContact O-N 2.94Å; F154-L158 PolarHBondContact O-N 3.14Å; F154-L193 HydrophobicContact CE1-CB 4.11Å; F154-L193 HydrophobicContact CE1-CD1 3.83Å; F154-L193 HydrophobicContact CZ-CB 3.83Å; F154-L193 HydrophobicContact CZ-CD1 4.35Å; F154-Q194 HydrophobicContact CE2-CG 4.16Å; F154-Q194 HydrophobicContact CZ-CG 4.29Å; F154-T313 HydrophobicContact CD1-CG2 4.03Å; F154-T313 HydrophobicContact CE1-CG2 4.45Å; F154-L316 HydrophobicContact CE1-CD1 4.26Å; F154-L316 HydrophobicContact CZ-CD1 4.11Å; F154-L317 HydrophobicContact CB-CD2 4.16Å
155G98.8Very high97.7Very high1 Ų19.6 Ų9.61%0.015%0.054CC..Hα-helixtrans-63.7-42.8178.100000112.4I110 G150 Y153 L159I110-G155 VanDerWaalsContact CD1-CA 3.41Å; G150-G155 PolarHBondContact O-N 3.23Å; Y153-G155 PolarHBondContact O-N 2.76Å; G155-L159 VanDerWaalsContact O-CB 3.25Å; G155-L159 WeakPolarHBondContact O-CB 3.42Å; G155-L159 PolarHBondContact O-N 3.31Å
156H98.8Very high97.6Very high2 Ų28.8 Ų8.81%0.0095%0.05CC..Hα-helixtrans-68.8-35.6174.7-75.7121.1000112.9T26 L104 N129 A131 V151 N152 Y153 L159 T160T26-H156 PolarHBondContact OG1-NE2 3.35Å; L104-H156 VanDerWaalsContact CD1-CE1 3.43Å; L104-H156 WeakPolarHBondContact CD1-CE1 3.38Å; L104-H156 VanDerWaalsContact CD1-NE2 3.32Å; L104-H156 WeakPolarHBondContact CD1-NE2 3.14Å; N129-H156 HydrophobicContact CB-CB 4.29Å; N129-H156 PolarHBondContact OD1-CD2 2.99Å; N129-H156 VanDerWaalsContact OD1-CD2 3.31Å; A131-H156 PolarHBondContact O-CE1 3.23Å; V151-H156 PolarHBondContact O-ND1 3.28Å; N152-H156 PolarHBondContact O-ND1 3.44Å; N152-H156 VanDerWaalsContact O-ND1 3.12Å; Y153-H156 PolarHBondContact O-N 2.87Å; Y153-H156 VanDerWaalsContact O-N 3.17Å; H156-L159 PolarHBondContact O-N 3.39Å; H156-T160 VanDerWaalsContact O-CB 3.29Å; H156-T160 WeakPolarHBondContact O-CB 3.46Å; H156-T160 PolarHBondContact O-N 3.12Å; H156-T160 PolarHBondContact O-OG1 3.23Å
157F98.7Very high97.7Very high1 Ų18.6 Ų8.60%0.0045%0.049CC..Hα-helixtrans-59.9-53.3175.2-171.1-78.9000109.7Y153 F154 L159 T160 E161 H216 R310 T313 R314 L317 I319Y153-F157 HydrophobicContact CE2-CB 4.48Å; Y153-F157 HydrophobicContact CE2-CD2 4.01Å; Y153-F157 AromaticContact CZ-CD2 3.91Å; Y153-F157 WeakPolarHBondContact O-CB 3.36Å; Y153-F157 PolarHBondContact O-N 3.34Å; Y153-F157 WeakPolarHBondContact OH-CD2 3.26Å; F154-F157 WeakPolarHBondContact O-CB 3.43Å; F154-F157 PolarHBondContact O-N 2.94Å; F157-L159 PolarHBondContact O-N 2.85Å; F157-T160 PolarHBondContact O-N 3.35Å; F157-E161 HydrophobicContact CD1-CG 3.91Å; F157-E161 HydrophobicContact CE1-CG 3.63Å; F157-E161 HydrophobicContact CZ-CG 4.31Å; F157-E161 WeakPolarHBondContact O-CG 3.42Å; F157-E161 PolarHBondContact O-N 3.13Å; F157-H216 AromaticContact CD2-CD2 3.78Å; F157-H216 AromaticContact CD2-CE1 3.52Å; F157-H216 AromaticContact CD2-CG 3.92Å; F157-H216 AromaticContact CD2-ND1 3.74Å; F157-H216 AromaticContact CD2-NE2 3.54Å; F157-H216 AromaticContact CE2-CD2 3.74Å; F157-H216 AromaticContact CE2-NE2 3.68Å; F157-R310 HydrophobicContact CZ-CG 4.32Å; F157-T313 HydrophobicContact CB-CG2 4.05Å; F157-T313 HydrophobicContact CD1-CG2 3.6Å; F157-T313 HydrophobicContact CD2-CG2 3.77Å; F157-T313 HydrophobicContact CE1-CG2 3.95Å; F157-T313 HydrophobicContact CE2-CG2 4.11Å; F157-T313 HydrophobicContact CG-CG2 3.51Å; F157-T313 HydrophobicContact CZ-CG2 4.2Å; F157-R314 HydrophobicContact CE1-CG 3.95Å; F157-R314 HydrophobicContact CZ-CG 4.06Å; F157-L317 HydrophobicContact CB-CD1 4.25Å; F157-L317 HydrophobicContact CD1-CD1 3.57Å; F157-L317 HydrophobicContact CE1-CD1 4.39Å; F157-L317 HydrophobicContact CG-CD1 4.26Å; F157-I319 HydrophobicContact CD1-CD1 4.19Å; F157-I319 HydrophobicContact CE1-CD1 3.93Å
158L98.7Very high97.7Very high0 Ų09.6 Ų9.60%05%0.053CC..Hα-helixtrans-59.5-47.3176.9-177.261.7000111.8L107 I110 F154 T160 E161 L162 L317 I319L107-L158 HydrophobicContact CB-CD2 3.94Å; L107-L158 HydrophobicContact CD2-CD2 3.75Å; L107-L158 HydrophobicContact CG-CD2 4.24Å; I110-L158 HydrophobicContact CB-CD2 4.23Å; I110-L158 HydrophobicContact CD1-CD2 4.34Å; I110-L158 HydrophobicContact CG2-CB 4.34Å; I110-L158 HydrophobicContact CG2-CD2 4.03Å; I110-L158 HydrophobicContact CG2-CG 3.97Å; F154-L158 PolarHBondContact O-N 3.14Å; L158-T160 VanDerWaalsContact C-N 3.26Å; L158-T160 PolarHBondContact O-N 3Å; L158-E161 PolarHBondContact O-N 3.16Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CD2 4.42Å; L158-L162 HydrophobicContact CD1-CG 3.89Å; L158-L162 HydrophobicContact CD2-CD1 4.4Å; L158-L162 HydrophobicContact CG-CD1 3.8Å; L158-L162 HydrophobicContact CG-CG 4.26Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.34Å; L158-L162 PolarHBondContact O-N 2.86Å; L158-L317 HydrophobicContact CB-CD1 4.1Å; L158-I319 HydrophobicContact CD1-CD1 4.17Å; L158-I319 HydrophobicContact CD1-CG2 3.76Å
159L98.8Very high97.7Very high0 Ų016.5 Ų16.50%08%0.079CC..Hα-helixtrans-55.5-44.9178.5177.765.9000111.4T26 L102 L104 I110 F113 V114 L127 G155 H156 F157 L163T26-L159 HydrophobicContact CG2-CD2 3.59Å; L102-L159 HydrophobicContact CD2-CD2 4Å; L104-L159 HydrophobicContact CD2-CD2 4.43Å; I110-L159 HydrophobicContact CG2-CB 3.96Å; I110-L159 HydrophobicContact CG2-CD1 4.21Å; F113-L159 HydrophobicContact CD1-CD1 3.67Å; F113-L159 HydrophobicContact CE1-CD1 3.78Å; V114-L159 HydrophobicContact CG2-CD1 3.78Å; L127-L159 HydrophobicContact CD1-CD2 4.3Å; G155-L159 VanDerWaalsContact O-CB 3.25Å; G155-L159 WeakPolarHBondContact O-CB 3.42Å; G155-L159 PolarHBondContact O-N 3.31Å; H156-L159 PolarHBondContact O-N 3.39Å; F157-L159 PolarHBondContact O-N 2.85Å; L159-L163 HydrophobicContact CD1-CD1 3.67Å; L159-L163 HydrophobicContact CD1-CG 4.29Å; L159-L163 HydrophobicContact CG-CD1 3.92Å; L159-L163 WeakPolarHBondContact O-CB 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 3.2Å; L159-L163 VanDerWaalsContact O-N 3.08Å
160T98.6Very high97.6Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-64.7-53.6-179.4-56.40000110.3L127 N129 H156 F157 L158 L162 L163 L164 I175 L220L127-T160 HydrophobicContact CD2-CG2 4.22Å; N129-T160 PolarHBondContact ND2-OG1 2.75Å; H156-T160 VanDerWaalsContact O-CB 3.29Å; H156-T160 WeakPolarHBondContact O-CB 3.46Å; H156-T160 PolarHBondContact O-N 3.12Å; H156-T160 PolarHBondContact O-OG1 3.23Å; F157-T160 PolarHBondContact O-N 3.35Å; L158-T160 VanDerWaalsContact C-N 3.26Å; L158-T160 PolarHBondContact O-N 3Å; T160-L162 VanDerWaalsContact C-N 3.28Å; T160-L162 PolarHBondContact O-N 2.86Å; T160-L163 PolarHBondContact O-N 2.75Å; T160-L164 HydrophobicContact CG2-CD2 4.41Å; T160-L164 WeakPolarHBondContact O-CG 3.45Å; T160-L164 PolarHBondContact O-N 3.28Å; T160-I175 HydrophobicContact CG2-CD1 3.97Å; T160-I175 HydrophobicContact CG2-CG2 4.25Å; T160-L220 HydrophobicContact CG2-CD2 3.59Å
161E97.8Very high97.5Very high16 Ų1619.6 Ų19.68%0.07510%0.098CC..Hα-helixtrans-53.7-44.3179.4-70.3-7117000112.3F157 L158 L164 R223 R314 I319 T324F157-E161 HydrophobicContact CD1-CG 3.91Å; F157-E161 HydrophobicContact CE1-CG 3.63Å; F157-E161 HydrophobicContact CZ-CG 4.31Å; F157-E161 WeakPolarHBondContact O-CG 3.42Å; F157-E161 PolarHBondContact O-N 3.13Å; L158-E161 PolarHBondContact O-N 3.16Å; E161-L164 PolarHBondContact O-N 2.87Å; E161-R223 IonicContact OE1-CZ 3.34Å; E161-R223 VanDerWaalsContact OE1-CZ 3.25Å; E161-R223 IonicContact OE1-NH1 2.98Å; E161-R223 PolarHBondContact OE1-NH1 3.35Å; E161-R223 IonicContact OE1-NH2 2.98Å; E161-R223 PolarHBondContact OE1-NH2 2.83Å; E161-R223 IonicContact OE2-CZ 3.91Å; E161-R223 IonicContact OE2-NH1 3.15Å; E161-R223 PolarHBondContact OE2-NH1 3.48Å; E161-R314 IonicContact OE2-NH1 2.77Å; E161-I319 HydrophobicContact CB-CD1 4.29Å; E161-I319 HydrophobicContact CG-CD1 4.01Å; E161-T324 WeakPolarHBondContact OE2-CG2 3.42Å
162L97.7Very high97.5Very high34 Ų3424 Ų2418%0.17813%0.127CC..Hα-helixtrans-73-26.3-179.1-65.4179.8000113.2I110 R111 V114 L158 T160 L322I110-L162 HydrophobicContact CG2-CD1 4.37Å; R111-L162 HydrophobicContact CG-CD1 3.87Å; V114-L162 HydrophobicContact CB-CB 4.29Å; V114-L162 HydrophobicContact CG1-CB 3.96Å; V114-L162 HydrophobicContact CG2-CB 3.9Å; V114-L162 HydrophobicContact CG2-CD1 4.38Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CD2 4.42Å; L158-L162 HydrophobicContact CD1-CG 3.89Å; L158-L162 HydrophobicContact CD2-CD1 4.4Å; L158-L162 HydrophobicContact CG-CD1 3.8Å; L158-L162 HydrophobicContact CG-CG 4.26Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.34Å; L158-L162 PolarHBondContact O-N 2.86Å; T160-L162 VanDerWaalsContact C-N 3.28Å; T160-L162 PolarHBondContact O-N 2.86Å; L162-L322 HydrophobicContact CD2-CD1 4.1Å
163L98Very high97.5Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-88-13.4175.8-73.1173.4000113.5I24 V114 I117 L124 L127 L159 T160 P165 L166 I167I24-L163 HydrophobicContact CD1-CD1 3.86Å; I24-L163 HydrophobicContact CD1-CD2 4.45Å; V114-L163 HydrophobicContact CG1-CD2 4.01Å; V114-L163 HydrophobicContact CG1-CG 4.47Å; V114-L163 HydrophobicContact CG2-CD2 4.1Å; V114-L163 HydrophobicContact CG2-CG 3.96Å; I117-L163 HydrophobicContact CG2-CD2 4.28Å; L124-L163 HydrophobicContact CD2-CB 4.31Å; L124-L163 HydrophobicContact CD2-CD1 4Å; L124-L163 HydrophobicContact CD2-CD2 4.13Å; L124-L163 HydrophobicContact CD2-CG 4.39Å; L127-L163 HydrophobicContact CD1-CD1 4Å; L127-L163 HydrophobicContact CD2-CD1 4.21Å; L159-L163 HydrophobicContact CD1-CD1 3.67Å; L159-L163 HydrophobicContact CD1-CG 4.29Å; L159-L163 HydrophobicContact CG-CD1 3.92Å; L159-L163 WeakPolarHBondContact O-CB 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 3.2Å; L159-L163 VanDerWaalsContact O-N 3.08Å; T160-L163 PolarHBondContact O-N 2.75Å; L163-P165 VanDerWaalsContact C-CD 3.45Å; L163-P165 VanDerWaalsContact C-N 3.34Å; L163-L166 HydrophobicContact CD2-CD2 4.3Å; L163-L166 WeakPolarHBondContact O-CB 3.42Å; L163-L166 PolarHBondContact O-N 3.49Å; L163-I167 HydrophobicContact CB-CD1 3.97Å; L163-I167 HydrophobicContact CB-CG1 4.41Å; L163-I167 WeakPolarHBondContact O-CG1 3.42Å; L163-I167 PolarHBondContact O-N 2.96Å
164L97.3Very high97.5Very high8 Ų825.3 Ų25.34%0.04213%0.131CC..Hα-helixtrans-50.7-44-179-76.4-179.8000113.8T160 E161 L166 I167 K168 I175 L220 L224T160-L164 HydrophobicContact CG2-CD2 4.41Å; T160-L164 WeakPolarHBondContact O-CG 3.45Å; T160-L164 PolarHBondContact O-N 3.28Å; E161-L164 PolarHBondContact O-N 2.87Å; L164-L166 VanDerWaalsContact C-N 3.26Å; L164-L166 PolarHBondContact O-N 3.11Å; L164-I167 PolarHBondContact O-N 2.79Å; L164-K168 WeakPolarHBondContact O-CB 3.31Å; L164-K168 WeakPolarHBondContact O-CG 3.37Å; L164-K168 PolarHBondContact O-N 2.99Å; L164-I175 HydrophobicContact CD2-CD1 3.9Å; L164-L220 HydrophobicContact CD1-CD1 4.18Å; L164-L220 HydrophobicContact CD2-CD1 4.36Å; L164-L224 HydrophobicContact CD2-CD1 3.72Å; L164-L224 HydrophobicContact CD2-CD2 4.31Å
165P95.2Very high97.5Very high67 Ų6725.3 Ų25.344%0.43513%0.131SC..Hα-helixtrans-59.5-35.2177.9-25.535.9000113.6L163 R169L163-P165 VanDerWaalsContact C-CD 3.45Å; L163-P165 VanDerWaalsContact C-N 3.34Å; P165-R169 PolarHBondContact O-NH1 2.78Å; P165-R169 VanDerWaalsContact O-NH1 3.14Å
166L96.7Very high97.5Very high2 Ų225.2 Ų25.21%0.0113%0.131CC..Hα-helixtrans-74.2-43.3177.4-177.363.5000111.1I117 T118 Y121 S122 L124 L163 L164 K168 R169 S170I117-L166 HydrophobicContact CG2-CD2 3.82Å; T118-L166 HydrophobicContact CG2-CD2 4.34Å; Y121-L166 WeakPolarHBondContact O-CD1 3.26Å; S122-L166 WeakPolarHBondContact O-CD1 3.44Å; L124-L166 HydrophobicContact CB-CD2 3.73Å; L124-L166 HydrophobicContact CB-CG 3.73Å; L124-L166 HydrophobicContact CD2-CD2 4.28Å; L163-L166 HydrophobicContact CD2-CD2 4.3Å; L163-L166 WeakPolarHBondContact O-CB 3.42Å; L163-L166 PolarHBondContact O-N 3.49Å; L164-L166 VanDerWaalsContact C-N 3.26Å; L164-L166 PolarHBondContact O-N 3.11Å; L166-K168 PolarHBondContact O-N 3.26Å; L166-R169 PolarHBondContact O-N 2.88Å; L166-S170 PolarHBondContact O-OG 3.1Å
167I98.1Very high97.5Very high1 Ų125.2 Ų25.21%0.00513%0.131CC..Hα-helixtrans-64.3-39.7179.9-63.7169.6000111.3L124 L127 L163 L164 R169 S170 S173 I175 I229L124-I167 HydrophobicContact CB-CG1 4.31Å; L124-I167 HydrophobicContact CD2-CD1 4.13Å; L124-I167 HydrophobicContact CD2-CG1 3.68Å; L124-I167 HydrophobicContact CG-CG1 4.02Å; L127-I167 HydrophobicContact CB-CD1 4.05Å; L127-I167 HydrophobicContact CD2-CD1 3.96Å; L163-I167 HydrophobicContact CB-CD1 3.97Å; L163-I167 HydrophobicContact CB-CG1 4.41Å; L163-I167 WeakPolarHBondContact O-CG1 3.42Å; L163-I167 PolarHBondContact O-N 2.96Å; L164-I167 PolarHBondContact O-N 2.79Å; I167-R169 VanDerWaalsContact C-N 3.26Å; I167-R169 PolarHBondContact O-N 3.42Å; I167-S170 PolarHBondContact O-N 2.9Å; I167-S173 WeakPolarHBondContact CG2-OG 3.42Å; I167-S173 PolarHBondContact O-OG 2.9Å; I167-I175 HydrophobicContact CD1-CD1 4.01Å; I167-I175 HydrophobicContact CD1-CG1 4.06Å; I167-I175 HydrophobicContact CG2-CD1 4.43Å; I167-I175 HydrophobicContact CG2-CG1 4.41Å; I167-I229 HydrophobicContact CG2-CD1 3.85Å; I167-I229 HydrophobicContact CG2-CG1 4.14Å; I167-I229 HydrophobicContact CG2-CG2 4.09Å
168K96.3Very high97.5Very high51 Ų5125.4 Ų25.422%0.22213%0.132CC..Hα-helixtrans-61.1-30.3176.8-79.7-178172.1-175.10113.4L164 L166 S170 T171 I229 A325L164-K168 WeakPolarHBondContact O-CB 3.31Å; L164-K168 WeakPolarHBondContact O-CG 3.37Å; L164-K168 PolarHBondContact O-N 2.99Å; L166-K168 PolarHBondContact O-N 3.26Å; K168-S170 PolarHBondContact O-N 3.2Å; K168-T171 WeakPolarHBondContact O-CG2 3.33Å; K168-I229 HydrophobicContact CB-CD1 4.39Å; K168-I229 HydrophobicContact CG-CD1 3.57Å; K168-A325 PolarHBondContact NZ-O 2.77Å
169R94.8Very high97.4Very high144 Ų14425.6 Ų25.654%0.54313%0.133SC..THydrogen-bonded Turntrans-78.3-8176.2-67.4-170.1-59.2-96.28.8113.9P165 L166 I167P165-R169 PolarHBondContact O-NH1 2.78Å; P165-R169 VanDerWaalsContact O-NH1 3.14Å; L166-R169 PolarHBondContact O-N 2.88Å; I167-R169 VanDerWaalsContact C-N 3.26Å; I167-R169 PolarHBondContact O-N 3.42Å
170S96Very high97.1Very high3 Ų326.3 Ų26.32%0.02114%0.138CC..THydrogen-bonded Turntrans-115.926.9-166.7-46.10000112.3E123 L124 H125 L166 I167 K168 P172 S173E123-S170 WeakPolarHBondContact CA-OG 3.45Å; L124-S170 PolarHBondContact N-OG 3.11Å; L124-S170 WeakPolarHBondContact O-CB 3.24Å; L124-S170 PolarHBondContact O-OG 2.96Å; H125-S170 PolarHBondContact CD2-O 3.32Å; L166-S170 PolarHBondContact O-OG 3.1Å; I167-S170 PolarHBondContact O-N 2.9Å; K168-S170 PolarHBondContact O-N 3.2Å; S170-P172 CarbonylContact O-C 3.59Å; S170-S173 WeakPolarHBondContact O-CB 3.43Å
171T95.1Very high96.8Very high68 Ų6828.5 Ų28.542%0.41716%0.156SC..  trans-74.3143.5-172.157.20000110.4K168 S227 I229K168-T171 WeakPolarHBondContact O-CG2 3.33Å; T171-S227 WeakPolarHBondContact CG2-O 3.32Å; T171-I229 HydrophobicContact CG2-CG1 4.09Å
172P96.9Very high96.6Very high105 Ų10529.3 Ų29.368%0.68216%0.164SC*.SBendcis-69.8130.7-330.1-34.9000112.4S170S170-P172 CarbonylContact O-C 3.59Å
173S98.2Very high96.5Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-131.9164179.756.40000111.3H125 I167 S170 G228 I229 T230H125-S173 CarbonylContact O-C 3.59Å; H125-S173 WeakPolarHBondContact O-CA 3.32Å; H125-S173 VanDerWaalsContact O-CB 3.26Å; H125-S173 WeakPolarHBondContact O-CB 3.45Å; I167-S173 WeakPolarHBondContact CG2-OG 3.42Å; I167-S173 PolarHBondContact O-OG 2.9Å; S170-S173 WeakPolarHBondContact O-CB 3.43Å; S173-G228 PolarHBondContact N-O 2.72Å; S173-I229 WeakPolarHBondContact O-CA 3.12Å; S173-T230 PolarHBondContact O-N 3.16Å
174R98.7Very high96.4Very high28 Ų2833.1 Ų33.111%0.10618%0.176CC..EExtended strand (participates in β ladder)trans-136.9142.3-175.9-45.9-173.2-178-166.5-3.6113.1H125 F126 L127 I176 T230 T276 V277 S279 D280H125-R174 PolarHBondContact O-N 3.46Å; F126-R174 WeakPolarHBondContact CA-O 3.43Å; F126-R174 HydrophobicContact CD1-CB 3.97Å; F126-R174 HydrophobicContact CD1-CG 4.13Å; F126-R174 HydrophobicContact CE1-CB 4.33Å; F126-R174 HydrophobicContact CE1-CG 3.98Å; L127-R174 PolarHBondContact N-O 3.08Å; R174-I176 HydrophobicContact CB-CD1 3.62Å; R174-T230 CarbonylContact C-O 3.49Å; R174-T230 WeakPolarHBondContact CA-O 3.04Å; R174-T276 WeakPolarHBondContact CD-O 3.1Å; R174-T276 PolarHBondContact NH1-O 3.03Å; R174-V277 VanDerWaalsContact CZ-O 3.22Å; R174-V277 PolarHBondContact NH1-O 2.99Å; R174-S279 PolarHBondContact NH1-O 3.43Å; R174-S279 PolarHBondContact NH2-O 3.08Å; R174-D280 IonicContact NH2-OD1 3.51Å; R174-D280 PolarHBondContact NH2-OD1 3.24Å
175I98.9Very high96.3Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-116.6113.8171.6-57.4171.8000107.6L127 T160 L164 I167 I177 L220 L224 I229 T230 V231 V232L127-I175 HydrophobicContact CB-CG1 4.38Å; L127-I175 HydrophobicContact CD2-CG2 4.36Å; L127-I175 WeakPolarHBondContact O-CA 3.34Å; T160-I175 HydrophobicContact CG2-CD1 3.97Å; T160-I175 HydrophobicContact CG2-CG2 4.25Å; L164-I175 HydrophobicContact CD2-CD1 3.9Å; I167-I175 HydrophobicContact CD1-CD1 4.01Å; I167-I175 HydrophobicContact CD1-CG1 4.06Å; I167-I175 HydrophobicContact CG2-CD1 4.43Å; I167-I175 HydrophobicContact CG2-CG1 4.41Å; I175-I177 HydrophobicContact CG2-CD1 4.42Å; I175-I177 HydrophobicContact CG2-CG1 4.07Å; I175-L220 HydrophobicContact CD1-CD2 3.77Å; I175-L220 HydrophobicContact CG2-CD2 4.39Å; I175-L224 HydrophobicContact CD1-CD1 4.2Å; I175-I229 HydrophobicContact CD1-CG2 4Å; I175-I229 HydrophobicContact CG1-CG2 4.11Å; I175-T230 PolarHBondContact N-O 3.17Å; I175-V231 HydrophobicContact CB-CG1 4.26Å; I175-V231 HydrophobicContact CB-CG2 4.28Å; I175-V231 HydrophobicContact CD1-CG2 4.34Å; I175-V231 HydrophobicContact CG2-CG1 4.43Å; I175-V231 WeakPolarHBondContact O-CA 3.11Å; I175-V232 PolarHBondContact O-N 3.5Å
176I98.9Very high96.3Very high0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans-110.6115.3-177.4-5983000108.3L127 I128 N129 R174 L178 V232 V234 T273 V277L127-I176 PolarHBondContact O-N 3.3Å; I128-I176 HydrophobicContact CG1-CD1 4.48Å; N129-I176 PolarHBondContact N-O 3.03Å; R174-I176 HydrophobicContact CB-CD1 3.62Å; I176-L178 HydrophobicContact CG2-CD2 4.18Å; I176-V232 HydrophobicContact CG1-CG2 4.12Å; I176-V232 HydrophobicContact CG2-CG2 4.41Å; I176-V234 HydrophobicContact CG2-CB 4.36Å; I176-V234 HydrophobicContact CG2-CG2 3.7Å; I176-T273 HydrophobicContact CG2-CG2 4.28Å; I176-V277 HydrophobicContact CD1-CG2 4.01Å; I176-V277 HydrophobicContact CG1-CG2 4.33Å
177I98.9Very high96.3Very high1 Ų147.5 Ų47.51%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-106.6114.4-175.5-48.7-176000110.5N129 I175 S179 N213 A217 V231 V232 S233 V234N129-I177 HydrophobicContact CB-CG2 4.35Å; I175-I177 HydrophobicContact CG2-CD1 4.42Å; I175-I177 HydrophobicContact CG2-CG1 4.07Å; I177-S179 PolarHBondContact O-N 3.15Å; I177-N213 HydrophobicContact CG2-CB 3.69Å; I177-A217 HydrophobicContact CD1-CB 4.13Å; I177-V231 HydrophobicContact CD1-CG1 4.38Å; I177-V232 PolarHBondContact N-O 2.89Å; I177-S233 CarbonylContact O-C 3.31Å; I177-S233 WeakPolarHBondContact O-CA 3.45Å; I177-V234 PolarHBondContact O-N 3.15Å
178L98.2Very high96.3Very high6 Ų648.5 Ų48.53%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-75.4116.6-178.9-78.6-70.4000110.6I128 N129 N130 I176 K210 N213 V234 P236I128-L178 HydrophobicContact CG2-CD2 3.75Å; N129-L178 WeakPolarHBondContact O-CB 3.31Å; N129-L178 PolarHBondContact O-N 3.27Å; N130-L178 HydrophobicContact CB-CD2 3.98Å; N130-L178 HydrophobicContact CB-CG 4.08Å; I176-L178 HydrophobicContact CG2-CD2 4.18Å; L178-K210 PolarHBondContact O-NZ 3.02Å; L178-N213 PolarHBondContact O-ND2 2.85Å; L178-V234 HydrophobicContact CD1-CB 4.06Å; L178-V234 HydrophobicContact CD1-CG1 3.85Å; L178-P236 HydrophobicContact CD1-CB 4.4Å; L178-P236 HydrophobicContact CD1-CG 4.26Å
179S96.9Very high96.2Very high4 Ų447.1 Ų47.13%0.02823%0.23CC..  trans-109.1-153.9173-172.30000110.8I177 K210 V214 V234I177-S179 PolarHBondContact O-N 3.15Å; S179-K210 PolarHBondContact OG-O 3.3Å; S179-V214 WeakPolarHBondContact OG-CG2 3.3Å; S179-V234 CarbonylContact C-O 3.52Å; S179-V234 WeakPolarHBondContact CA-O 3.1Å; S179-V234 PolarHBondContact N-O 2.95Å
180S92.3Very high96.2Very high15 Ų1545.4 Ų45.411%0.10523%0.226CC..  trans-159.4158.3179.9178.20000110.2S182 H183 Y287S180-S182 PolarHBondContact O-N 3Å; S180-S182 VanDerWaalsContact O-N 3.11Å; S180-S182 WeakPolarHBondContact OG-CB 3.42Å; S180-S182 PolarHBondContact OG-N 3.48Å; S180-S182 PolarHBondContact OG-OG 2.95Å; S180-H183 WeakPolarHBondContact O-CB 3.44Å; S180-H183 PolarHBondContact O-N 3.08Å; S180-H183 PolarHBondContact O-ND1 3.27Å; S180-Y287 PolarHBondContact O-OH 3.35Å
181A92.8Very high96.2Very high45 Ų4549.5 Ų49.537%0.37225%0.253SS..G310 helixtrans-56.2-19.8162.500000112.6H183 Y184 H235A181-H183 PolarHBondContact O-N 2.69Å; A181-H183 VanDerWaalsContact O-N 3.11Å; A181-Y184 VanDerWaalsContact O-CD2 3.26Å; A181-Y184 WeakPolarHBondContact O-CD2 3.44Å; A181-Y184 PolarHBondContact O-N 2.77Å; A181-H235 PolarHBondContact N-ND1 3.17Å
182S92.2Very high96.1Very high34 Ų3447.6 Ų47.624%0.23824%0.24CC..G310 helixtrans-57-22.9171.5-51.30000113.6S180 Y184 K185 G186 C207S180-S182 PolarHBondContact O-N 3Å; S180-S182 VanDerWaalsContact O-N 3.11Å; S180-S182 WeakPolarHBondContact OG-CB 3.42Å; S180-S182 PolarHBondContact OG-N 3.48Å; S180-S182 PolarHBondContact OG-OG 2.95Å; S182-Y184 PolarHBondContact O-N 2.73Å; S182-K185 PolarHBondContact O-N 2.88Å; S182-K185 VanDerWaalsContact O-N 3.08Å; S182-G186 PolarHBondContact O-N 3.28Å; S182-C207 WeakPolarHBondContact O-CB 3.31Å; S182-C207 PolarHBondContact O-SG 3.16Å
183H96.6Very high96Very high0 Ų042.8 Ų42.80%021%0.208CC..G310 helixtrans-61.4-27.4179.287.6-83.3000113.3S180 A181 K185 G186 K210 L211 V214 Y287 S297S180-H183 WeakPolarHBondContact O-CB 3.44Å; S180-H183 PolarHBondContact O-N 3.08Å; S180-H183 PolarHBondContact O-ND1 3.27Å; A181-H183 PolarHBondContact O-N 2.69Å; A181-H183 VanDerWaalsContact O-N 3.11Å; H183-K185 PolarHBondContact O-N 3.3Å; H183-G186 PolarHBondContact O-N 3.16Å; H183-K210 HydrophobicContact CB-CB 4.33Å; H183-L211 HydrophobicContact CB-CB 4.36Å; H183-V214 HydrophobicContact CB-CG2 4.03Å; H183-Y287 AromaticContact CE1-CE1 3.59Å; H183-Y287 AromaticContact CE1-CE2 3.81Å; H183-Y287 AromaticContact CE1-CZ 3.36Å; H183-Y287 PolarHBondContact CE1-OH 2.95Å; H183-Y287 AromaticContact ND1-CE2 3.88Å; H183-Y287 AromaticContact ND1-CZ 3.65Å; H183-Y287 PolarHBondContact ND1-OH 2.93Å; H183-S297 PolarHBondContact NE2-N 3.02Å
184Y95.9Very high95.8Very high113 Ų11344.1 Ų44.144%0.44322%0.215SC..G310 helixtrans-62.6-23.9176.2-69.6-73.4000113.1A181 S182 Y287 E295A181-Y184 VanDerWaalsContact O-CD2 3.26Å; A181-Y184 WeakPolarHBondContact O-CD2 3.44Å; A181-Y184 PolarHBondContact O-N 2.77Å; S182-Y184 PolarHBondContact O-N 2.73Å; Y184-Y287 HydrophobicContact CE2-CE1 4.42Å; Y184-E295 WeakPolarHBondContact CE1-O 3.34Å; Y184-E295 PolarHBondContact OH-O 2.87Å
185K95.2Very high95.5Very high176 Ų17643.2 Ų43.277%0.76521%0.212SC*.G310 helixtrans-100.1-2176.2-61.8-175.2178.8-176.10112.8S182 H183 C207S182-K185 PolarHBondContact O-N 2.88Å; S182-K185 VanDerWaalsContact O-N 3.08Å; H183-K185 PolarHBondContact O-N 3.3Å; K185-C207 HydrophobicContact CB-CB 4.45Å
186G95.3Very high95.1Very high11 Ų1148 Ų4811%0.11324%0.235CC..  trans-70.4156-179.400000112.2S182 H183 C207 L211S182-G186 PolarHBondContact O-N 3.28Å; H183-G186 PolarHBondContact O-N 3.16Å; G186-C207 WeakPolarHBondContact CA-O 3.34Å; G186-L211 VanDerWaalsContact C-CD2 3.48Å
187R96.6Very high94.6Very high192 Ų19251.2 Ų51.273%0.72526%0.255SS*.  trans-137.4152.1171.5-61.6-174.8-177.4-158.70.3108.8I189 S208R187-I189 PolarHBondContact O-N 3.44Å; R187-S208 VanDerWaalsContact O-CB 3.25Å; R187-S208 WeakPolarHBondContact O-CB 3.48Å; R187-S208 PolarHBondContact O-OG 3.35Å; R187-S208 VanDerWaalsContact O-OG 3.07Å
188L97.1Very high94.2Very high22 Ų2260 Ų6012%0.11529%0.294CS..  trans-75119.1166.9-66.8-179.2000108.6K190 L193 M215 I299 E305 W308 L309L188-K190 PolarHBondContact O-N 2.82Å; L188-L193 HydrophobicContact CD2-CD2 4.1Å; L188-M215 HydrophobicContact CD1-CE 4.03Å; L188-M215 HydrophobicContact CD1-SD 4.15Å; L188-M215 HydrophobicContact CD2-SD 3.96Å; L188-M215 HydrophobicContact CG-SD 4.2Å; L188-I299 HydrophobicContact CD1-CD1 4.32Å; L188-I299 HydrophobicContact CG-CD1 4.24Å; L188-E305 HydrophobicContact CD1-CB 3.89Å; L188-E305 HydrophobicContact CD1-CG 4.43Å; L188-E305 VanDerWaalsContact CD1-OE2 3.3Å; L188-E305 WeakPolarHBondContact CD1-OE2 3.34Å; L188-W308 HydrophobicContact CB-CZ3 4.11Å; L188-W308 HydrophobicContact CD1-CE3 3.97Å; L188-W308 HydrophobicContact CD1-CZ3 4.08Å; L188-L309 HydrophobicContact CD2-CD1 3.95Å; L188-L309 HydrophobicContact CD2-CD2 4.35Å; L188-L309 HydrophobicContact CD2-CG 4.5Å
189I95.1Very high93.8Very high22 Ų2264.6 Ų64.611%0.11332%0.315CS..  trans-84.6112.2178.8-56.7156.3000107.3R187 L193 Q194 V195R187-I189 PolarHBondContact O-N 3.44Å; I189-L193 WeakPolarHBondContact O-CA 3.47Å; I189-L193 PolarHBondContact O-N 3.43Å; I189-Q194 WeakPolarHBondContact CG2-O 3.19Å; I189-V195 HydrophobicContact CD1-CG1 3.62Å; I189-V195 HydrophobicContact CG1-CG1 4.38Å; I189-V195 HydrophobicContact CG2-CG1 4.46Å
190K95.1Very high93.6Very high109 Ų10966.4 Ų66.447%0.47432%0.322SS..THydrogen-bonded Turntrans-95.8148.1-180-66-170.7176.4173.90109.8L188 E305 W308L188-K190 PolarHBondContact O-N 2.82Å; K190-E305 WeakPolarHBondContact CE-OE2 3.44Å; K190-E305 VanDerWaalsContact NZ-CD 3.26Å; K190-E305 IonicContact NZ-OE1 2.71Å; K190-E305 PolarHBondContact NZ-OE1 3.1Å; K190-E305 IonicContact NZ-OE2 3.77Å; K190-E305 PolarHBondContact NZ-OE2 3.11Å; K190-W308 HydrophobicContact CB-CH2 4.46Å; K190-W308 HydrophobicContact CB-CZ2 4.47Å; K190-W308 HydrophobicContact CD-CH2 4.38Å; K190-W308 HydrophobicContact CD-CZ2 4.21Å; K190-W308 HydrophobicContact CG-CH2 3.63Å; K190-W308 HydrophobicContact CG-CZ2 3.79Å; K190-W308 HydrophobicContact CG-CZ3 4.2Å
191P95Very high93.5Very high89 Ų8969.7 Ų69.758%0.57834%0.338SS*.THydrogen-bonded Turncis-93.3-6.76.136.5-35.6000115W308 R312P191-W308 WeakPolarHBondContact O-CZ2 3.4Å; P191-R312 PolarHBondContact O-NE 3.05Å
192D92.7Very high93.4Very high28 Ų2868.4 Ų68.415%0.1532%0.324CS..THydrogen-bonded Turntrans-123.89.5-162.768.4-18000114.8Q194 L316D192-Q194 WeakPolarHBondContact O-CG 3.5Å; D192-Q194 PolarHBondContact O-N 3.11Å; D192-Q194 PolarHBondContact OD1-N 3.05Å; D192-Q194 VanDerWaalsContact OD1-N 3.12Å; D192-Q194 PolarHBondContact OD2-NE2 3.34Å; D192-L316 WeakPolarHBondContact O-CD1 3.14Å
193L96Very high93.2Very high3 Ų369 Ų692%0.01633%0.331CS..SBendtrans68.913.7-178-54.2164.1000113.6M149 Y153 F154 L188 I189 W308 L309 R312 T313 L316M149-L193 HydrophobicContact CE-CB 4.19Å; Y153-L193 HydrophobicContact CE1-CD1 4.31Å; F154-L193 HydrophobicContact CE1-CB 4.11Å; F154-L193 HydrophobicContact CE1-CD1 3.83Å; F154-L193 HydrophobicContact CZ-CB 3.83Å; F154-L193 HydrophobicContact CZ-CD1 4.35Å; L188-L193 HydrophobicContact CD2-CD2 4.1Å; I189-L193 WeakPolarHBondContact O-CA 3.47Å; I189-L193 PolarHBondContact O-N 3.43Å; L193-W308 HydrophobicContact CD2-CH2 3.74Å; L193-W308 HydrophobicContact CD2-CZ3 3.47Å; L193-W308 VanDerWaalsContact CD2-CZ3 3.47Å; L193-W308 HydrophobicContact CG-CH2 4.14Å; L193-W308 HydrophobicContact CG-CZ3 4.28Å; L193-L309 HydrophobicContact CD1-CD1 3.65Å; L193-L309 HydrophobicContact CD2-CD1 3.51Å; L193-L309 HydrophobicContact CG-CD1 4.24Å; L193-R312 HydrophobicContact CD1-CB 4.47Å; L193-R312 HydrophobicContact CD1-CG 4.27Å; L193-R312 HydrophobicContact CG-CG 4.44Å; L193-T313 WeakPolarHBondContact CD1-OG1 3.27Å; L193-L316 HydrophobicContact CD1-CD1 4.23Å
194Q94.7Very high93Very high28 Ų2873 Ų7313%0.13135%0.348CS..  trans-128.8143.1-174.2-55.6-177.1101.100111.5E146 F154 I189 D192E146-Q194 HydrophobicContact CB-CB 4.48Å; F154-Q194 HydrophobicContact CE2-CG 4.16Å; F154-Q194 HydrophobicContact CZ-CG 4.29Å; I189-Q194 WeakPolarHBondContact CG2-O 3.19Å; D192-Q194 WeakPolarHBondContact O-CG 3.5Å; D192-Q194 PolarHBondContact O-N 3.11Å; D192-Q194 PolarHBondContact OD1-N 3.05Å; D192-Q194 VanDerWaalsContact OD1-N 3.12Å; D192-Q194 PolarHBondContact OD2-NE2 3.34Å
195V91.7Very high92.9Very high10 Ų1067.7 Ų67.76%0.06133%0.328CS..  trans-78.8143172.1-66.90000109.9E146 I189 Y200 K204 V205E146-V195 HydrophobicContact CG-CG2 4.4Å; I189-V195 HydrophobicContact CD1-CG1 3.62Å; I189-V195 HydrophobicContact CG1-CG1 4.38Å; I189-V195 HydrophobicContact CG2-CG1 4.46Å; V195-Y200 HydrophobicContact CG2-CD2 3.79Å; V195-Y200 HydrophobicContact CG2-CE2 4.47Å; V195-K204 HydrophobicContact CG1-CD 4.34Å; V195-V205 HydrophobicContact CB-CG2 4.27Å; V195-V205 HydrophobicContact CG1-CG2 3.77Å; V195-V205 HydrophobicContact CG2-CG2 3.44Å; V195-V205 VanDerWaalsContact CG2-CG2 3.44Å
196Q89.2Confident92.8Very high100 Ų10061 Ų6147%0.46730%0.298SS..  trans-64.6144.8167.5-67.1-61.5-33.700109.9K198 E199 Y200Q196-K198 HydrophobicContact CB-CG 4.38Å; Q196-K198 PolarHBondContact O-N 2.95Å; Q196-K198 VanDerWaalsContact O-N 3.11Å; Q196-E199 HydrophobicContact CB-CG 4.36Å; Q196-E199 PolarHBondContact O-N 3Å; Q196-Y200 PolarHBondContact O-N 2.86Å
197P89.4Confident92.7Very high67 Ų6761.2 Ų61.244%0.43530%0.297SS..G310 helixtrans-49.5-42.7-177.6-29.733.6000113.8Q138 E199 Y200Q138-P197 HydrophobicContact CG-CB 4.47Å; P197-E199 PolarHBondContact O-N 3.01Å; P197-Y200 WeakPolarHBondContact O-CB 3.34Å; P197-Y200 PolarHBondContact O-N 3.34Å
198K90.5Very high92.8Very high186 Ų18652.3 Ų52.381%0.80927%0.265SS*.G310 helixtrans-67.7-18.7179.669.7-177.8-178176.80114.8Q196Q196-K198 HydrophobicContact CB-CG 4.38Å; Q196-K198 PolarHBondContact O-N 2.95Å; Q196-K198 VanDerWaalsContact O-N 3.11Å
199E90.6Very high92.8Very high102 Ų10251.2 Ų51.248%0.47726%0.259SS..G310 helixtrans-105.312.4-179.3-56.1-172.8172.400112.2Q196 P197 N201Q196-E199 HydrophobicContact CB-CG 4.36Å; Q196-E199 PolarHBondContact O-N 3Å; P197-E199 PolarHBondContact O-N 3.01Å; E199-N201 PolarHBondContact O-N 3.03Å
200Y92.3Very high92.9Very high43 Ų4350.5 Ų50.517%0.16926%0.255CS..  trans-60125.5-173.6-173.9-97.8000111.4V135 S136 Q138 E146 V195 Q196 P197 E202 V205V135-Y200 VanDerWaalsContact CG2-OH 3.31Å; V135-Y200 WeakPolarHBondContact CG2-OH 3.33Å; V135-Y200 PolarHBondContact O-OH 3Å; S136-Y200 WeakPolarHBondContact O-CE1 3.4Å; Q138-Y200 HydrophobicContact CB-CD1 4.23Å; Q138-Y200 HydrophobicContact CB-CD2 3.71Å; Q138-Y200 HydrophobicContact CB-CE2 4.27Å; Q138-Y200 HydrophobicContact CB-CG 3.7Å; Q138-Y200 HydrophobicContact CG-CD2 3.9Å; Q138-Y200 HydrophobicContact CG-CG 4.29Å; E146-Y200 HydrophobicContact CG-CE2 4.41Å; V195-Y200 HydrophobicContact CG2-CD2 3.79Å; V195-Y200 HydrophobicContact CG2-CE2 4.47Å; Q196-Y200 PolarHBondContact O-N 2.86Å; P197-Y200 WeakPolarHBondContact O-CB 3.34Å; P197-Y200 PolarHBondContact O-N 3.34Å; Y200-E202 HydrophobicContact CE1-CB 4.18Å; Y200-V205 HydrophobicContact CD2-CG2 4.22Å; Y200-V205 HydrophobicContact CE2-CG2 3.93Å
201N90.5Very high93Very high83 Ų8345.3 Ų45.344%0.44423%0.232SC..  trans-141.5111.3171.4179.5-76.1000108.1E199 A203 K204 V205E199-N201 PolarHBondContact O-N 3.03Å; N201-A203 VanDerWaalsContact C-N 3.27Å; N201-A203 PolarHBondContact O-N 2.7Å; N201-A203 PolarHBondContact OD1-N 3.19Å; N201-K204 HydrophobicContact CB-CB 3.86Å; N201-K204 WeakPolarHBondContact O-CB 3.37Å; N201-K204 PolarHBondContact O-N 2.74Å; N201-K204 VanDerWaalsContact O-N 3.09Å; N201-K204 PolarHBondContact OD1-N 2.93Å; N201-V205 WeakPolarHBondContact O-CG2 3.46Å; N201-V205 PolarHBondContact O-N 3.42Å
202E89.4Confident93.2Very high19 Ų1941.1 Ų41.19%0.08921%0.205CC..Hα-helixtrans-48.5-48.8-177.2177.3-169.6154.500112.1A134 V135 S136 Y200 K204 V205 Y206 V247 L252A134-E202 HydrophobicContact CB-CG 4.11Å; V135-E202 VanDerWaalsContact O-CG 3.27Å; V135-E202 WeakPolarHBondContact O-CG 3.21Å; S136-E202 WeakPolarHBondContact CA-OE2 3.42Å; Y200-E202 HydrophobicContact CE1-CB 4.18Å; E202-K204 PolarHBondContact O-N 3.06Å; E202-V205 PolarHBondContact O-N 3.48Å; E202-Y206 VanDerWaalsContact O-CB 3.31Å; E202-Y206 WeakPolarHBondContact O-CB 3.33Å; E202-Y206 PolarHBondContact O-N 2.88Å; E202-V247 WeakPolarHBondContact OE1-CG2 3.11Å; E202-L252 WeakPolarHBondContact OE1-CD2 3.48Å
203A88.4Confident93.5Very high46 Ų4639.9 Ų39.938%0.3820%0.199SC..Hα-helixtrans-65.2-43-177.700000111.9N201 Y206 C207N201-A203 VanDerWaalsContact C-N 3.27Å; N201-A203 PolarHBondContact O-N 2.7Å; N201-A203 PolarHBondContact OD1-N 3.19Å; A203-Y206 PolarHBondContact O-N 3.25Å; A203-C207 WeakPolarHBondContact O-CB 3.31Å; A203-C207 PolarHBondContact O-N 3.5Å; A203-C207 PolarHBondContact O-SG 3.23Å
204K92.1Very high93.6Very high84 Ų8439.7 Ų39.737%0.36520%0.198SC..Hα-helixtrans-58.9-48.8176.4179.2-176.4172.8-173.40110.7V195 N201 E202 C207 S208V195-K204 HydrophobicContact CG1-CD 4.34Å; N201-K204 HydrophobicContact CB-CB 3.86Å; N201-K204 WeakPolarHBondContact O-CB 3.37Å; N201-K204 PolarHBondContact O-N 2.74Å; N201-K204 VanDerWaalsContact O-N 3.09Å; N201-K204 PolarHBondContact OD1-N 2.93Å; E202-K204 PolarHBondContact O-N 3.06Å; K204-C207 PolarHBondContact O-N 2.91Å; K204-S208 WeakPolarHBondContact O-CB 3.46Å; K204-S208 PolarHBondContact O-N 2.97Å; K204-S208 PolarHBondContact O-OG 2.92Å
205V94.2Very high93.8Very high1 Ų138.4 Ų38.41%0.00619%0.192CC..Hα-helixtrans-64.6-48.3-179.4176.70000110.6E146 T148 M149 V195 Y200 N201 E202 C207 S208 S209E146-V205 HydrophobicContact CG-CG1 4.34Å; E146-V205 WeakPolarHBondContact OE2-CG1 3.44Å; T148-V205 HydrophobicContact CG2-CG1 3.94Å; M149-V205 HydrophobicContact CG-CG1 4.15Å; V195-V205 HydrophobicContact CB-CG2 4.27Å; V195-V205 HydrophobicContact CG1-CG2 3.77Å; V195-V205 HydrophobicContact CG2-CG2 3.44Å; V195-V205 VanDerWaalsContact CG2-CG2 3.44Å; Y200-V205 HydrophobicContact CD2-CG2 4.22Å; Y200-V205 HydrophobicContact CE2-CG2 3.93Å; N201-V205 WeakPolarHBondContact O-CG2 3.46Å; N201-V205 PolarHBondContact O-N 3.42Å; E202-V205 PolarHBondContact O-N 3.48Å; V205-C207 PolarHBondContact O-N 3.09Å; V205-S208 WeakPolarHBondContact O-CB 3.36Å; V205-S208 PolarHBondContact O-N 3.42Å; V205-S208 VanDerWaalsContact O-N 3.13Å; V205-S209 PolarHBondContact O-N 3.21Å
206Y92.8Very high94.1Very high36 Ų3638 Ų3814%0.14119%0.189CC..Hα-helixtrans-58.9-47.4177.9-175.8-102.7000111.9L133 A134 T148 E202 A203 S208 S209 K210 I243L133-Y206 WeakPolarHBondContact O-CD2 3.42Å; A134-Y206 HydrophobicContact CB-CD2 3.87Å; A134-Y206 HydrophobicContact CB-CE2 4.44Å; A134-Y206 HydrophobicContact CB-CG 4.35Å; T148-Y206 HydrophobicContact CG2-CD2 4.25Å; E202-Y206 VanDerWaalsContact O-CB 3.31Å; E202-Y206 WeakPolarHBondContact O-CB 3.33Å; E202-Y206 PolarHBondContact O-N 2.88Å; A203-Y206 PolarHBondContact O-N 3.25Å; Y206-S208 VanDerWaalsContact C-N 3.28Å; Y206-S208 PolarHBondContact O-N 3.49Å; Y206-S209 PolarHBondContact O-N 3.13Å; Y206-S209 PolarHBondContact O-OG 3.43Å; Y206-K210 HydrophobicContact CD1-CG 4.32Å; Y206-K210 HydrophobicContact CE1-CG 3.95Å; Y206-K210 HydrophobicContact CE2-CD 4.47Å; Y206-K210 VanDerWaalsContact CE2-CE 3.49Å; Y206-K210 HydrophobicContact CE2-CG 4.28Å; Y206-K210 VanDerWaalsContact CZ-CE 3.45Å; Y206-K210 WeakPolarHBondContact O-CG 3.28Å; Y206-K210 PolarHBondContact O-N 2.89Å; Y206-K210 VanDerWaalsContact OH-CE 3.26Å; Y206-K210 WeakPolarHBondContact OH-CE 3.42Å; Y206-I243 HydrophobicContact CE2-CG2 4.3Å
207C94.4Very high94.6Very high15 Ų1533.3 Ų33.310%0.10117%0.167CC..Hα-helixtrans-59-40.5176.1-66.60000111.9S182 K185 G186 A203 K204 V205 K210 L211S182-C207 WeakPolarHBondContact O-CB 3.31Å; S182-C207 PolarHBondContact O-SG 3.16Å; K185-C207 HydrophobicContact CB-CB 4.45Å; G186-C207 WeakPolarHBondContact CA-O 3.34Å; A203-C207 WeakPolarHBondContact O-CB 3.31Å; A203-C207 PolarHBondContact O-N 3.5Å; A203-C207 PolarHBondContact O-SG 3.23Å; K204-C207 PolarHBondContact O-N 2.91Å; V205-C207 PolarHBondContact O-N 3.09Å; C207-K210 PolarHBondContact O-N 2.88Å; C207-L211 PolarHBondContact O-N 2.78Å
208S97Very high95Very high5 Ų531.9 Ų31.94%0.03516%0.157CC..Hα-helixtrans-65.8-41.9177.8-54.20000111.6R187 K204 V205 Y206 K210 L211 A212R187-S208 VanDerWaalsContact O-CB 3.25Å; R187-S208 WeakPolarHBondContact O-CB 3.48Å; R187-S208 PolarHBondContact O-OG 3.35Å; R187-S208 VanDerWaalsContact O-OG 3.07Å; K204-S208 WeakPolarHBondContact O-CB 3.46Å; K204-S208 PolarHBondContact O-N 2.97Å; K204-S208 PolarHBondContact O-OG 2.92Å; V205-S208 WeakPolarHBondContact O-CB 3.36Å; V205-S208 PolarHBondContact O-N 3.42Å; V205-S208 VanDerWaalsContact O-N 3.13Å; Y206-S208 VanDerWaalsContact C-N 3.28Å; Y206-S208 PolarHBondContact O-N 3.49Å; S208-K210 VanDerWaalsContact C-N 3.34Å; S208-K210 PolarHBondContact O-N 2.82Å; S208-L211 PolarHBondContact O-N 2.89Å; S208-A212 PolarHBondContact O-N 2.96Å
209S97.2Very high95.4Very high0 Ų023.8 Ų23.80%012%0.122CC..Hα-helixtrans-62.6-39.8175.278.20000112.5M149 N152 V205 Y206 A212 N213M149-S209 WeakPolarHBondContact SD-CA 3.44Å; M149-S209 VanDerWaalsContact SD-CB 3.53Å; M149-S209 PolarHBondContact SD-N 2.87Å; N152-S209 PolarHBondContact ND2-OG 3.05Å; V205-S209 PolarHBondContact O-N 3.21Å; Y206-S209 PolarHBondContact O-N 3.13Å; Y206-S209 PolarHBondContact O-OG 3.43Å; S209-A212 PolarHBondContact O-N 3.41Å; S209-N213 PolarHBondContact O-N 3.15Å; S209-N213 VanDerWaalsContact O-N 3.11Å; S209-N213 PolarHBondContact O-OD1 2.78Å
210K97.2Very high95.7Very high6 Ų619 Ų193%0.02610%0.1CC..Hα-helixtrans-74-30.2178.7-62.4-55.1-177.3-1760112.2L178 S179 H183 Y206 C207 S208 V214L178-K210 PolarHBondContact O-NZ 3.02Å; S179-K210 PolarHBondContact OG-O 3.3Å; H183-K210 HydrophobicContact CB-CB 4.33Å; Y206-K210 HydrophobicContact CD1-CG 4.32Å; Y206-K210 HydrophobicContact CE1-CG 3.95Å; Y206-K210 HydrophobicContact CE2-CD 4.47Å; Y206-K210 VanDerWaalsContact CE2-CE 3.49Å; Y206-K210 HydrophobicContact CE2-CG 4.28Å; Y206-K210 VanDerWaalsContact CZ-CE 3.45Å; Y206-K210 WeakPolarHBondContact O-CG 3.28Å; Y206-K210 PolarHBondContact O-N 2.89Å; Y206-K210 VanDerWaalsContact OH-CE 3.26Å; Y206-K210 WeakPolarHBondContact OH-CE 3.42Å; C207-K210 PolarHBondContact O-N 2.88Å; S208-K210 VanDerWaalsContact C-N 3.34Å; S208-K210 PolarHBondContact O-N 2.82Å; K210-V214 PolarHBondContact O-N 3.15Å
211L98.4Very high96Very high0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-63.9-48.3167.7175.963.5000111.9H183 G186 C207 S208 N213 V214 M215 S297 I299 V300H183-L211 HydrophobicContact CB-CB 4.36Å; G186-L211 VanDerWaalsContact C-CD2 3.48Å; C207-L211 PolarHBondContact O-N 2.78Å; S208-L211 PolarHBondContact O-N 2.89Å; L211-N213 PolarHBondContact O-N 3.18Å; L211-V214 PolarHBondContact O-N 2.9Å; L211-M215 HydrophobicContact CD1-CG 4.06Å; L211-M215 HydrophobicContact CD1-SD 4.1Å; L211-M215 HydrophobicContact CD2-SD 4.32Å; L211-M215 HydrophobicContact CG-CG 4.31Å; L211-M215 HydrophobicContact CG-SD 3.94Å; L211-M215 WeakPolarHBondContact O-CG 3.35Å; L211-M215 PolarHBondContact O-N 3.1Å; L211-S297 WeakPolarHBondContact CD1-OG 3.37Å; L211-I299 HydrophobicContact CD1-CG2 3.63Å; L211-I299 HydrophobicContact CD2-CG2 3.8Å; L211-I299 HydrophobicContact CG-CG2 4.3Å; L211-V300 HydrophobicContact CD1-CG2 3.75Å
212A98.6Very high96.3Very high1 Ų120 Ų201%0.00811%0.105CC..Hα-helixtrans-56.3-37.8177.700000111.7M149 Y153 S208 S209 V214 M215 H216 L309M149-A212 HydrophobicContact CE-CB 4.48Å; Y153-A212 HydrophobicContact CD1-CB 3.82Å; Y153-A212 HydrophobicContact CD2-CB 3.57Å; Y153-A212 HydrophobicContact CE1-CB 4.01Å; Y153-A212 HydrophobicContact CE2-CB 3.79Å; Y153-A212 HydrophobicContact CG-CB 3.6Å; S208-A212 PolarHBondContact O-N 2.96Å; S209-A212 PolarHBondContact O-N 3.41Å; A212-V214 PolarHBondContact O-N 3.09Å; A212-M215 PolarHBondContact O-N 3.5Å; A212-H216 WeakPolarHBondContact O-CB 3.27Å; A212-H216 PolarHBondContact O-N 2.88Å; A212-L309 HydrophobicContact CB-CD1 4.4Å; A212-L309 HydrophobicContact CB-CD2 4.3Å
213N98.8Very high96.6Very high2 Ų220.7 Ų20.71%0.01111%0.107CC..Hα-helixtrans-61.4-41.7174.1-75.72.8000114N152 I177 L178 S209 L211 A217N152-N213 PolarHBondContact O-ND2 3.32Å; N152-N213 PolarHBondContact O-OD1 2.54Å; I177-N213 HydrophobicContact CG2-CB 3.69Å; L178-N213 PolarHBondContact O-ND2 2.85Å; S209-N213 PolarHBondContact O-N 3.15Å; S209-N213 VanDerWaalsContact O-N 3.11Å; S209-N213 PolarHBondContact O-OD1 2.78Å; L211-N213 PolarHBondContact O-N 3.18Å; N213-A217 PolarHBondContact O-N 2.99Å; N213-A217 VanDerWaalsContact O-N 3.15Å
214V98.8Very high97Very high0 Ų018.7 Ų18.70%09%0.09CC..Hα-helixtrans-69.1-45177.2-174.40000110.3S179 H183 K210 L211 A212 H216 A217 V218 Y287 P296 V300S179-V214 WeakPolarHBondContact OG-CG2 3.3Å; H183-V214 HydrophobicContact CB-CG2 4.03Å; K210-V214 PolarHBondContact O-N 3.15Å; L211-V214 PolarHBondContact O-N 2.9Å; A212-V214 PolarHBondContact O-N 3.09Å; V214-H216 VanDerWaalsContact C-N 3.31Å; V214-H216 PolarHBondContact O-N 3.26Å; V214-A217 WeakPolarHBondContact O-CB 3.46Å; V214-A217 PolarHBondContact O-N 3.5Å; V214-V218 PolarHBondContact O-N 2.97Å; V214-Y287 HydrophobicContact CG1-CD2 4.38Å; V214-Y287 HydrophobicContact CG2-CD2 3.99Å; V214-Y287 HydrophobicContact CG2-CE2 4.22Å; V214-P296 HydrophobicContact CG1-CB 3.85Å; V214-V300 HydrophobicContact CB-CG2 4.22Å; V214-V300 HydrophobicContact CG1-CB 4.5Å; V214-V300 HydrophobicContact CG1-CG1 3.83Å; V214-V300 HydrophobicContact CG1-CG2 3.87Å
215M98.8Very high97.2Very high0 Ų021 Ų210%010%0.1CC..Hα-helixtrans-62.9-38.7179.2-67.3-174.67600112L188 L211 A212 V218 E219 V300 E305 I306 L309L188-M215 HydrophobicContact CD1-CE 4.03Å; L188-M215 HydrophobicContact CD1-SD 4.15Å; L188-M215 HydrophobicContact CD2-SD 3.96Å; L188-M215 HydrophobicContact CG-SD 4.2Å; L211-M215 HydrophobicContact CD1-CG 4.06Å; L211-M215 HydrophobicContact CD1-SD 4.1Å; L211-M215 HydrophobicContact CD2-SD 4.32Å; L211-M215 HydrophobicContact CG-CG 4.31Å; L211-M215 HydrophobicContact CG-SD 3.94Å; L211-M215 WeakPolarHBondContact O-CG 3.35Å; L211-M215 PolarHBondContact O-N 3.1Å; A212-M215 PolarHBondContact O-N 3.5Å; M215-V218 PolarHBondContact O-N 2.75Å; M215-E219 WeakPolarHBondContact O-CB 3.35Å; M215-E219 PolarHBondContact O-N 3.43Å; M215-V300 HydrophobicContact CG-CB 4.49Å; M215-V300 HydrophobicContact CG-CG2 3.87Å; M215-E305 HydrophobicContact CE-CB 3.91Å; M215-I306 HydrophobicContact CB-CG1 4.42Å; M215-I306 HydrophobicContact CE-CB 4.37Å; M215-I306 HydrophobicContact CE-CG1 3.59Å; M215-L309 HydrophobicContact CB-CD2 3.5Å; M215-L309 HydrophobicContact CG-CD2 4.4Å; M215-L309 HydrophobicContact SD-CD2 4.18Å
216H98.7Very high97.3Very high3 Ų328.3 Ų28.31%0.01414%0.139CC..Hα-helixtrans-66-37.4175.1-179.4-156.2000112.2Y153 F157 A212 V214 V218 E219 L220Y153-H216 HydrophobicContact CE2-CB 3.89Å; F157-H216 AromaticContact CD2-CD2 3.78Å; F157-H216 AromaticContact CD2-CE1 3.52Å; F157-H216 AromaticContact CD2-CG 3.92Å; F157-H216 AromaticContact CD2-ND1 3.74Å; F157-H216 AromaticContact CD2-NE2 3.54Å; F157-H216 AromaticContact CE2-CD2 3.74Å; F157-H216 AromaticContact CE2-NE2 3.68Å; A212-H216 WeakPolarHBondContact O-CB 3.27Å; A212-H216 PolarHBondContact O-N 2.88Å; V214-H216 VanDerWaalsContact C-N 3.31Å; V214-H216 PolarHBondContact O-N 3.26Å; H216-V218 VanDerWaalsContact C-N 3.31Å; H216-V218 PolarHBondContact O-N 3.06Å; H216-E219 IonicContact CD2-OE2 3.66Å; H216-E219 PolarHBondContact O-N 3.18Å; H216-L220 WeakPolarHBondContact O-CB 3.43Å; H216-L220 PolarHBondContact O-N 2.8Å
217A98.7Very high97.4Very high0 Ų028.2 Ų28.20%014%0.143CC..Hα-helixtrans-61.1-41.6174.100000112I177 N213 V214 S221 V231I177-A217 HydrophobicContact CD1-CB 4.13Å; N213-A217 PolarHBondContact O-N 2.99Å; N213-A217 VanDerWaalsContact O-N 3.15Å; V214-A217 WeakPolarHBondContact O-CB 3.46Å; V214-A217 PolarHBondContact O-N 3.5Å; A217-S221 WeakPolarHBondContact O-CB 3.43Å; A217-S221 PolarHBondContact O-N 3.29Å; A217-S221 PolarHBondContact O-OG 3.02Å; A217-V231 HydrophobicContact CB-CG1 4.14Å
218V98.7Very high97.6Very high38 Ų3829.5 Ų29.523%0.2316%0.159CC..Hα-helixtrans-67.2-46.8176.6175.70000111.6V214 M215 H216 L220 S221 E222 G285 V300 I306V214-V218 PolarHBondContact O-N 2.97Å; M215-V218 PolarHBondContact O-N 2.75Å; H216-V218 VanDerWaalsContact C-N 3.31Å; H216-V218 PolarHBondContact O-N 3.06Å; V218-L220 PolarHBondContact O-N 3.43Å; V218-S221 PolarHBondContact O-N 3.44Å; V218-S221 PolarHBondContact O-OG 3.11Å; V218-E222 PolarHBondContact O-N 2.88Å; V218-G285 WeakPolarHBondContact CG2-O 3.24Å; V218-V300 HydrophobicContact CB-CG1 4.47Å; V218-V300 HydrophobicContact CG2-CG1 3.6Å; V218-I306 HydrophobicContact CB-CD1 4.19Å; V218-I306 HydrophobicContact CG1-CD1 3.64Å
219E98.1Very high97.6Very high16 Ų1629.6 Ų29.68%0.07516%0.159CC..Hα-helixtrans-56.6-52.6176.4-175-89.7144.300111.8M215 H216 S221 E222 R223 I306 R310M215-E219 WeakPolarHBondContact O-CB 3.35Å; M215-E219 PolarHBondContact O-N 3.43Å; H216-E219 IonicContact CD2-OE2 3.66Å; H216-E219 PolarHBondContact O-N 3.18Å; E219-S221 VanDerWaalsContact C-N 3.29Å; E219-S221 PolarHBondContact O-N 3.34Å; E219-E222 PolarHBondContact O-N 3.08Å; E219-E222 VanDerWaalsContact O-N 3.14Å; E219-R223 PolarHBondContact O-N 3.27Å; E219-R223 IonicContact OE1-CZ 2.83Å; E219-R223 IonicContact OE1-NE 3.96Å; E219-R223 PolarHBondContact OE1-NE 3.3Å; E219-R223 IonicContact OE1-NH2 3.25Å; E219-R223 PolarHBondContact OE1-NH2 2.94Å; E219-R223 VanDerWaalsContact OE1-NH2 3.13Å; E219-R223 IonicContact OE2-CZ 3.99Å; E219-R223 IonicContact OE2-NE 2.98Å; E219-R223 IonicContact OE2-NH2 3.95Å; E219-R223 PolarHBondContact OE2-NH2 3.4Å; E219-I306 HydrophobicContact CB-CG2 3.54Å; E219-I306 HydrophobicContact CG-CG2 3.89Å; E219-R310 HydrophobicContact CG-CB 4.03Å; E219-R310 HydrophobicContact CG-CG 4.1Å; E219-R310 WeakPolarHBondContact OE1-CD 3.44Å; E219-R310 IonicContact OE1-CZ 2.87Å; E219-R310 IonicContact OE1-NE 3.8Å; E219-R310 PolarHBondContact OE1-NE 2.87Å; E219-R310 VanDerWaalsContact OE1-NE 3.15Å
220L97.9Very high97.7Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-68.7-33.4-174-171.167.3000110.7T160 L164 I175 H216 V218 E222 R223 L224 V231T160-L220 HydrophobicContact CG2-CD2 3.59Å; L164-L220 HydrophobicContact CD1-CD1 4.18Å; L164-L220 HydrophobicContact CD2-CD1 4.36Å; I175-L220 HydrophobicContact CD1-CD2 3.77Å; I175-L220 HydrophobicContact CG2-CD2 4.39Å; H216-L220 WeakPolarHBondContact O-CB 3.43Å; H216-L220 PolarHBondContact O-N 2.8Å; V218-L220 PolarHBondContact O-N 3.43Å; L220-E222 VanDerWaalsContact C-N 3.31Å; L220-E222 PolarHBondContact O-N 3.45Å; L220-R223 PolarHBondContact O-N 3.35Å; L220-L224 HydrophobicContact CD1-CD1 3.79Å; L220-L224 HydrophobicContact CD1-CG 3.99Å; L220-L224 HydrophobicContact CD2-CD1 4.23Å; L220-L224 HydrophobicContact CG-CD1 3.66Å; L220-L224 HydrophobicContact CG-CG 4.14Å; L220-L224 WeakPolarHBondContact O-CB 3.45Å; L220-L224 VanDerWaalsContact O-CG 3.24Å; L220-L224 WeakPolarHBondContact O-CG 3.15Å; L220-L224 PolarHBondContact O-N 3.26Å; L220-V231 HydrophobicContact CB-CG1 4.22Å; L220-V231 HydrophobicContact CB-CG2 4.42Å; L220-V231 HydrophobicContact CD2-CG1 4.06Å; L220-V231 HydrophobicContact CD2-CG2 4.08Å; L220-V231 HydrophobicContact CG-CG1 4.42Å; L220-V231 HydrophobicContact CG-CG2 4.02Å
221S98Very high97.8Very high16 Ų1631 Ų3111%0.11217%0.169CC..Hα-helixtrans-62.2-37.8172.765.30000113.1A217 V218 E219 K225 S284 G285A217-S221 WeakPolarHBondContact O-CB 3.43Å; A217-S221 PolarHBondContact O-N 3.29Å; A217-S221 PolarHBondContact O-OG 3.02Å; V218-S221 PolarHBondContact O-N 3.44Å; V218-S221 PolarHBondContact O-OG 3.11Å; E219-S221 VanDerWaalsContact C-N 3.29Å; E219-S221 PolarHBondContact O-N 3.34Å; S221-K225 PolarHBondContact O-N 2.71Å; S221-K225 VanDerWaalsContact O-N 3.16Å; S221-S284 VanDerWaalsContact CB-OG 3.3Å; S221-S284 WeakPolarHBondContact CB-OG 3.44Å; S221-G285 WeakPolarHBondContact OG-CA 3.27Å; S221-G285 PolarHBondContact OG-N 3.49Å
222E97.3Very high97.8Very high131 Ų13131.1 Ų31.161%0.61217%0.169SC*.Hα-helixtrans-71.1-44.7178.6-174.765-164.800110.4V218 E219 L220 L224 K225V218-E222 PolarHBondContact O-N 2.88Å; E219-E222 PolarHBondContact O-N 3.08Å; E219-E222 VanDerWaalsContact O-N 3.14Å; L220-E222 VanDerWaalsContact C-N 3.31Å; L220-E222 PolarHBondContact O-N 3.45Å; E222-L224 VanDerWaalsContact C-N 3.29Å; E222-L224 PolarHBondContact O-N 3.18Å; E222-K225 VanDerWaalsContact O-CB 3.28Å; E222-K225 WeakPolarHBondContact O-CB 3.5Å; E222-K225 PolarHBondContact O-N 3.23Å
223R95.3Very high97.8Very high35 Ų3531 Ų3113%0.13217%0.169CC..Hα-helixtrans-66.7-29.8178.2178.1160.348124.20.3113.4E161 E219 L220 R310 S326E161-R223 IonicContact OE1-CZ 3.34Å; E161-R223 VanDerWaalsContact OE1-CZ 3.25Å; E161-R223 IonicContact OE1-NH1 2.98Å; E161-R223 PolarHBondContact OE1-NH1 3.35Å; E161-R223 IonicContact OE1-NH2 2.98Å; E161-R223 PolarHBondContact OE1-NH2 2.83Å; E161-R223 IonicContact OE2-CZ 3.91Å; E161-R223 IonicContact OE2-NH1 3.15Å; E161-R223 PolarHBondContact OE2-NH1 3.48Å; E219-R223 PolarHBondContact O-N 3.27Å; E219-R223 IonicContact OE1-CZ 2.83Å; E219-R223 IonicContact OE1-NE 3.96Å; E219-R223 PolarHBondContact OE1-NE 3.3Å; E219-R223 IonicContact OE1-NH2 3.25Å; E219-R223 PolarHBondContact OE1-NH2 2.94Å; E219-R223 VanDerWaalsContact OE1-NH2 3.13Å; E219-R223 IonicContact OE2-CZ 3.99Å; E219-R223 IonicContact OE2-NE 2.98Å; E219-R223 IonicContact OE2-NH2 3.95Å; E219-R223 PolarHBondContact OE2-NH2 3.4Å; L220-R223 PolarHBondContact O-N 3.35Å; R223-R310 VanDerWaalsContact CD-NH2 3.34Å; R223-S326 WeakPolarHBondContact CG-OG 3.36Å
224L96.8Very high97.8Very high4 Ų431 Ų312%0.02117%0.168CC..THydrogen-bonded Turntrans-99.217178.9-60.8-177.6000112.6L164 I175 L220 E222 D226 S227 I229 V231L164-L224 HydrophobicContact CD2-CD1 3.72Å; L164-L224 HydrophobicContact CD2-CD2 4.31Å; I175-L224 HydrophobicContact CD1-CD1 4.2Å; L220-L224 HydrophobicContact CD1-CD1 3.79Å; L220-L224 HydrophobicContact CD1-CG 3.99Å; L220-L224 HydrophobicContact CD2-CD1 4.23Å; L220-L224 HydrophobicContact CG-CD1 3.66Å; L220-L224 HydrophobicContact CG-CG 4.14Å; L220-L224 WeakPolarHBondContact O-CB 3.45Å; L220-L224 VanDerWaalsContact O-CG 3.24Å; L220-L224 WeakPolarHBondContact O-CG 3.15Å; L220-L224 PolarHBondContact O-N 3.26Å; E222-L224 VanDerWaalsContact C-N 3.29Å; E222-L224 PolarHBondContact O-N 3.18Å; L224-D226 PolarHBondContact O-N 3.4Å; L224-S227 VanDerWaalsContact O-CB 3.29Å; L224-S227 WeakPolarHBondContact O-CB 3.41Å; L224-S227 PolarHBondContact O-N 3.36Å; L224-S227 VanDerWaalsContact O-N 3.16Å; L224-S227 PolarHBondContact O-OG 2.73Å; L224-I229 HydrophobicContact CD1-CB 4.2Å; L224-I229 HydrophobicContact CD1-CD1 3.92Å; L224-I229 HydrophobicContact CD1-CG2 4.01Å; L224-I229 HydrophobicContact CD2-CD1 4.35Å; L224-V231 HydrophobicContact CD1-CG2 4.01Å
225K96.2Very high97.7Very high133 Ų13332 Ų3258%0.57817%0.173SC*.THydrogen-bonded Turntrans-54139.9173.9-166.9179.6176.3-177.90110.1S221 E222 S227S221-K225 PolarHBondContact O-N 2.71Å; S221-K225 VanDerWaalsContact O-N 3.16Å; E222-K225 VanDerWaalsContact O-CB 3.28Å; E222-K225 WeakPolarHBondContact O-CB 3.5Å; E222-K225 PolarHBondContact O-N 3.23Å; K225-S227 PolarHBondContact O-N 3.03Å
226D95.2Very high97.4Very high154 Ų15432.7 Ų32.782%0.82418%0.178SC*.THydrogen-bonded Turntrans61.85.9-179.6-48.5-41.6000116L224 G228L224-D226 PolarHBondContact O-N 3.4Å; D226-G228 VanDerWaalsContact C-N 3.31Å; D226-G228 PolarHBondContact O-N 3.25Å
227S96.3Very high96.8Very high33 Ų3333.6 Ų33.623%0.23119%0.187CC..THydrogen-bonded Turntrans-81.4-5.7177.470.80000114.5T171 L224 K225 I229T171-S227 WeakPolarHBondContact CG2-O 3.32Å; L224-S227 VanDerWaalsContact O-CB 3.29Å; L224-S227 WeakPolarHBondContact O-CB 3.41Å; L224-S227 PolarHBondContact O-N 3.36Å; L224-S227 VanDerWaalsContact O-N 3.16Å; L224-S227 PolarHBondContact O-OG 2.73Å; K225-S227 PolarHBondContact O-N 3.03Å; S227-I229 PolarHBondContact O-N 3.32Å; S227-I229 WeakPolarHBondContact OG-CB 3.15Å; S227-I229 WeakPolarHBondContact OG-CG1 3.08Å; S227-I229 PolarHBondContact OG-N 3.49Å
228G97Very high96Very high42 Ų4237 Ų3743%0.43321%0.208SC..THydrogen-bonded Turntrans74.17.7-170.200000114.5S173 D226S173-G228 PolarHBondContact N-O 2.72Å; D226-G228 VanDerWaalsContact C-N 3.31Å; D226-G228 PolarHBondContact O-N 3.25Å
229I98.3Very high94.9Very high8 Ų836 Ų364%0.04120%0.202CC..EExtended strand (participates in β ladder)trans-97123.5175.5-52.8172.7000109.7I167 K168 T171 S173 I175 L224 S227 V231I167-I229 HydrophobicContact CG2-CD1 3.85Å; I167-I229 HydrophobicContact CG2-CG1 4.14Å; I167-I229 HydrophobicContact CG2-CG2 4.09Å; K168-I229 HydrophobicContact CB-CD1 4.39Å; K168-I229 HydrophobicContact CG-CD1 3.57Å; T171-I229 HydrophobicContact CG2-CG1 4.09Å; S173-I229 WeakPolarHBondContact O-CA 3.12Å; I175-I229 HydrophobicContact CD1-CG2 4Å; I175-I229 HydrophobicContact CG1-CG2 4.11Å; L224-I229 HydrophobicContact CD1-CB 4.2Å; L224-I229 HydrophobicContact CD1-CD1 3.92Å; L224-I229 HydrophobicContact CD1-CG2 4.01Å; L224-I229 HydrophobicContact CD2-CD1 4.35Å; S227-I229 PolarHBondContact O-N 3.32Å; S227-I229 WeakPolarHBondContact OG-CB 3.15Å; S227-I229 WeakPolarHBondContact OG-CG1 3.08Å; S227-I229 PolarHBondContact OG-N 3.49Å; I229-V231 HydrophobicContact CG2-CG2 4.24Å
230T98.7Very high93.4Very high36 Ų3643 Ų4322%0.22123%0.232CC..EExtended strand (participates in β ladder)trans-93.5124.5171.1-570000110.3S173 R174 I175 V232 L282S173-T230 PolarHBondContact O-N 3.16Å; R174-T230 CarbonylContact C-O 3.49Å; R174-T230 WeakPolarHBondContact CA-O 3.04Å; I175-T230 PolarHBondContact N-O 3.17Å; T230-V232 HydrophobicContact CG2-CG1 4.15Å; T230-L282 HydrophobicContact CG2-CB 4.03Å; T230-L282 HydrophobicContact CG2-CD1 4.29Å
231V98.8Very high91.5Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-113130.1176.5-172.10000109.1I175 I177 A217 L220 L224 I229 S284 G285I175-V231 HydrophobicContact CB-CG1 4.26Å; I175-V231 HydrophobicContact CB-CG2 4.28Å; I175-V231 HydrophobicContact CD1-CG2 4.34Å; I175-V231 HydrophobicContact CG2-CG1 4.43Å; I175-V231 WeakPolarHBondContact O-CA 3.11Å; I177-V231 HydrophobicContact CD1-CG1 4.38Å; A217-V231 HydrophobicContact CB-CG1 4.14Å; L220-V231 HydrophobicContact CB-CG1 4.22Å; L220-V231 HydrophobicContact CB-CG2 4.42Å; L220-V231 HydrophobicContact CD2-CG1 4.06Å; L220-V231 HydrophobicContact CD2-CG2 4.08Å; L220-V231 HydrophobicContact CG-CG1 4.42Å; L220-V231 HydrophobicContact CG-CG2 4.02Å; L224-V231 HydrophobicContact CD1-CG2 4.01Å; I229-V231 HydrophobicContact CG2-CG2 4.24Å; V231-S284 PolarHBondContact N-OG 2.95Å; V231-S284 CarbonylContact O-C 3.48Å; V231-S284 WeakPolarHBondContact O-CA 3.29Å; V231-S284 PolarHBondContact O-OG 3.31Å; V231-G285 PolarHBondContact O-N 2.82Å
232V98.9Very high89.8Confident1 Ų149.6 Ų49.61%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-142.1158.3177-65.60000111.2I175 I176 I177 T230 T276 Y288I175-V232 PolarHBondContact O-N 3.5Å; I176-V232 HydrophobicContact CG1-CG2 4.12Å; I176-V232 HydrophobicContact CG2-CG2 4.41Å; I177-V232 PolarHBondContact N-O 2.89Å; T230-V232 HydrophobicContact CG2-CG1 4.15Å; V232-T276 HydrophobicContact CG2-CG2 3.83Å; V232-Y288 HydrophobicContact CB-CD2 4.05Å; V232-Y288 HydrophobicContact CB-CE2 4.23Å; V232-Y288 HydrophobicContact CG1-CD2 4.04Å; V232-Y288 HydrophobicContact CG1-CE2 3.7Å
233S98.9Very high87.9Confident0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-110.3145.4169.659.60000111.2I177 G286 Y287 Y288I177-S233 CarbonylContact O-C 3.31Å; I177-S233 WeakPolarHBondContact O-CA 3.45Å; S233-G286 PolarHBondContact N-O 3.24Å; S233-G286 PolarHBondContact OG-O 3.14Å; S233-Y287 WeakPolarHBondContact O-CA 3.37Å; S233-Y287 WeakPolarHBondContact OG-CA 3.47Å; S233-Y287 WeakPolarHBondContact OG-CD2 3.06Å; S233-Y288 PolarHBondContact O-N 3.49Å
234V98.6Very high86.2Confident0 Ų046.9 Ų46.90%026%0.256CS..EExtended strand (participates in β ladder)trans-127.8130.2-173.2168.60000111.4I176 I177 L178 S179 T272 T276 Y288I176-V234 HydrophobicContact CG2-CB 4.36Å; I176-V234 HydrophobicContact CG2-CG2 3.7Å; I177-V234 PolarHBondContact O-N 3.15Å; L178-V234 HydrophobicContact CD1-CB 4.06Å; L178-V234 HydrophobicContact CD1-CG1 3.85Å; S179-V234 CarbonylContact C-O 3.52Å; S179-V234 WeakPolarHBondContact CA-O 3.1Å; S179-V234 PolarHBondContact N-O 2.95Å; V234-T272 HydrophobicContact CG1-CG2 3.7Å; V234-T272 HydrophobicContact CG2-CG2 4.38Å; V234-T276 HydrophobicContact CG2-CG2 3.6Å; V234-Y288 CarbonylContact C-O 3.59Å; V234-Y288 WeakPolarHBondContact CA-O 3.09Å
235H95.9Very high84.5Confident21 Ų2153.1 Ų53.110%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-98.6116.4159.5170.345.2000110.5A181 G237 Y287 Y288 S289A181-H235 PolarHBondContact N-ND1 3.17Å; H235-G237 WeakPolarHBondContact CE1-CA 3.16Å; H235-G237 PolarHBondContact CE1-N 3.46Å; H235-G237 VanDerWaalsContact CE1-N 3.27Å; H235-G237 PolarHBondContact CE1-O 3.41Å; H235-G237 VanDerWaalsContact CE1-O 3.3Å; H235-G237 PolarHBondContact ND1-N 2.84Å; H235-G237 WeakPolarHBondContact NE2-CA 3.37Å; H235-G237 PolarHBondContact O-N 3.34Å; H235-Y287 HydrophobicContact CB-CE2 3.91Å; H235-Y287 WeakPolarHBondContact CB-OH 3.49Å; H235-Y288 PolarHBondContact N-O 3.07Å; H235-S289 PolarHBondContact CD2-OG 3.42Å; H235-S289 PolarHBondContact O-OG 3.39Å
236P93Very high82.6Confident16 Ų1650.2 Ų50.210%0.10427%0.27CS..  trans-81.39.2-176.133.9-38000114.1I32 L178 V239 G269I32-P236 HydrophobicContact CD1-CB 3.72Å; I32-P236 HydrophobicContact CD1-CG 3.58Å; L178-P236 HydrophobicContact CD1-CB 4.4Å; L178-P236 HydrophobicContact CD1-CG 4.26Å; P236-V239 HydrophobicContact CB-CG2 4.19Å; P236-V239 HydrophobicContact CG-CG2 4.48Å; P236-V239 VanDerWaalsContact O-CG2 3.27Å; P236-V239 WeakPolarHBondContact O-CG2 3.17Å; P236-G269 VanDerWaalsContact CB-O 3.28Å; P236-G269 WeakPolarHBondContact CB-O 3.46Å; P236-G269 VanDerWaalsContact O-CA 3.22Å; P236-G269 WeakPolarHBondContact O-CA 3.33Å
237G86.8Confident80.7Confident21 Ų2143.2 Ų43.222%0.21623%0.233CC..  trans79.8-175.2-168.700000113.2H235 V239H235-G237 WeakPolarHBondContact CE1-CA 3.16Å; H235-G237 PolarHBondContact CE1-N 3.46Å; H235-G237 VanDerWaalsContact CE1-N 3.27Å; H235-G237 PolarHBondContact CE1-O 3.41Å; H235-G237 VanDerWaalsContact CE1-O 3.3Å; H235-G237 PolarHBondContact ND1-N 2.84Å; H235-G237 WeakPolarHBondContact NE2-CA 3.37Å; H235-G237 PolarHBondContact O-N 3.34Å; G237-V239 PolarHBondContact O-N 3.45Å
238T81.7Confident78.7Confident71 Ų7147.1 Ų47.144%0.43625%0.247SC..SBendtrans-85.890.1176.8-55.20000109.2V263 I264T238-V263 HydrophobicContact CG2-CG2 4.17Å; T238-V263 CarbonylContact O-C 3.54Å; T238-V263 VanDerWaalsContact O-CA 3.26Å; T238-V263 WeakPolarHBondContact O-CA 3.41Å; T238-I264 PolarHBondContact O-N 2.86Å
239V75.1Confident76.7Confident17 Ų1747.6 Ų47.610%0.10324%0.244CC..BIsolated β-bridgetrans-95.2141.1-172.1-172.90000111.3I32 P236 G237 T241 I264 P266I32-V239 HydrophobicContact CD1-CB 3.98Å; I32-V239 HydrophobicContact CD1-CG1 4.2Å; I32-V239 HydrophobicContact CD1-CG2 3.77Å; I32-V239 HydrophobicContact CG1-CB 4.26Å; I32-V239 HydrophobicContact CG1-CG1 3.9Å; I32-V239 HydrophobicContact CG1-CG2 4.21Å; P236-V239 HydrophobicContact CB-CG2 4.19Å; P236-V239 HydrophobicContact CG-CG2 4.48Å; P236-V239 VanDerWaalsContact O-CG2 3.27Å; P236-V239 WeakPolarHBondContact O-CG2 3.17Å; G237-V239 PolarHBondContact O-N 3.45Å; V239-T241 HydrophobicContact CB-CG2 3.85Å; V239-T241 HydrophobicContact CG1-CG2 3.7Å; V239-T241 PolarHBondContact O-N 2.62Å; V239-I264 HydrophobicContact CB-CG1 4.43Å; V239-I264 HydrophobicContact CG2-CD1 4.14Å; V239-I264 HydrophobicContact CG2-CG1 3.91Å; V239-P266 HydrophobicContact CG1-CB 4.37Å; V239-P266 HydrophobicContact CG1-CG 4.25Å
240K66.1Low74.5Confident164 Ų16453.3 Ų53.371%0.71327%0.273SS*.  trans-63.7103.6168.1-164.7179.8-177.1-174.20108.6V263 I264K240-V263 HydrophobicContact CB-CG1 3.51Å; K240-V263 HydrophobicContact CG-CG1 4.23Å; K240-V263 VanDerWaalsContact N-CG1 3.33Å; K240-I264 PolarHBondContact N-O 3.44Å
241T59.7Low72.2Confident38 Ų3856.4 Ų56.423%0.23329%0.292CS..  trans-137.8159.9-178.360.10000111.2I32 V239 I243I32-T241 HydrophobicContact CD1-CG2 4.18Å; I32-T241 HydrophobicContact CG1-CG2 4.13Å; V239-T241 HydrophobicContact CB-CG2 3.85Å; V239-T241 HydrophobicContact CG1-CG2 3.7Å; V239-T241 PolarHBondContact O-N 2.62Å; T241-I243 PolarHBondContact O-N 2.74Å; T241-I243 WeakPolarHBondContact OG1-CB 3.41Å; T241-I243 WeakPolarHBondContact OG1-CD1 3.44Å; T241-I243 WeakPolarHBondContact OG1-CG1 3.06Å
242E62.2Low70Confident117 Ų11758.2 Ų58.255%0.54730%0.301SS..G310 helixtrans-72.44.7171.7-63-63.8133.800112.9L244 R245E242-L244 PolarHBondContact O-N 3.35Å; E242-L244 VanDerWaalsContact O-N 3.08Å; E242-R245 VanDerWaalsContact O-CB 3.25Å; E242-R245 WeakPolarHBondContact O-CB 3.46Å; E242-R245 VanDerWaalsContact O-CG 3.26Å; E242-R245 WeakPolarHBondContact O-CG 3.5Å; E242-R245 PolarHBondContact O-N 2.86Å
243I57.6Low67.8Low44 Ų4463.5 Ų63.523%0.22632%0.324CS..G310 helixtrans-55.9-30.2-179.8-70.2174.8000110.9A134 Y206 T241A134-I243 HydrophobicContact CB-CG2 4.48Å; Y206-I243 HydrophobicContact CE2-CG2 4.3Å; T241-I243 PolarHBondContact O-N 2.74Å; T241-I243 WeakPolarHBondContact OG1-CB 3.41Å; T241-I243 WeakPolarHBondContact OG1-CD1 3.44Å; T241-I243 WeakPolarHBondContact OG1-CG1 3.06Å
244L58.8Low65.5Low65 Ų6566.9 Ų66.934%0.3435%0.347SS..G310 helixtrans-99.711.4-176.9-57.6163.3000112.8E242 D246 V247 L252 I256E242-L244 PolarHBondContact O-N 3.35Å; E242-L244 VanDerWaalsContact O-N 3.08Å; L244-D246 PolarHBondContact O-N 2.72Å; L244-V247 HydrophobicContact CB-CB 4.42Å; L244-V247 HydrophobicContact CB-CG2 3.85Å; L244-V247 HydrophobicContact CD2-CG2 3.72Å; L244-V247 HydrophobicContact CG-CG2 4.41Å; L244-V247 WeakPolarHBondContact O-CB 3.32Å; L244-V247 WeakPolarHBondContact O-CG2 3.18Å; L244-V247 PolarHBondContact O-N 3.45Å; L244-V247 VanDerWaalsContact O-N 3.09Å; L244-L252 HydrophobicContact CD2-CD2 4.15Å; L244-I256 HydrophobicContact CB-CD1 4.23Å; L244-I256 HydrophobicContact CD1-CD1 3.27Å; L244-I256 HydrophobicContact CD1-CG1 3.65Å; L244-I256 HydrophobicContact CD2-CD1 4.29Å; L244-I256 HydrophobicContact CG-CD1 4.1Å
245R60Low63.4Low134 Ų13470.9 Ų70.951%0.50637%0.367SS..THydrogen-bonded Turntrans-59.5-30.6-176.173.8-176.1-174.4-159.4-8.1113.1E242E242-R245 VanDerWaalsContact O-CB 3.25Å; E242-R245 WeakPolarHBondContact O-CB 3.46Å; E242-R245 VanDerWaalsContact O-CG 3.26Å; E242-R245 WeakPolarHBondContact O-CG 3.5Å; E242-R245 PolarHBondContact O-N 2.86Å
246D57.4Low61.5Low72 Ų7272.7 Ų72.739%0.38538%0.377SS..THydrogen-bonded Turntrans-96.910.6-176.9-65.1-47.8000111.8S136 L244 E248S136-D246 WeakPolarHBondContact CB-O 3.16Å; S136-D246 PolarHBondContact OG-O 2.75Å; L244-D246 PolarHBondContact O-N 2.72Å; D246-E248 PolarHBondContact O-N 3.32Å
247V55.7Low59.7Low8 Ų874.6 Ų74.65%0.04839%0.394CS..  trans-83.7110.1-178178.50000111.2E202 L244 L252 K253E202-V247 WeakPolarHBondContact OE1-CG2 3.11Å; L244-V247 HydrophobicContact CB-CB 4.42Å; L244-V247 HydrophobicContact CB-CG2 3.85Å; L244-V247 HydrophobicContact CD2-CG2 3.72Å; L244-V247 HydrophobicContact CG-CG2 4.41Å; L244-V247 WeakPolarHBondContact O-CB 3.32Å; L244-V247 WeakPolarHBondContact O-CG2 3.18Å; L244-V247 PolarHBondContact O-N 3.45Å; L244-V247 VanDerWaalsContact O-N 3.09Å; V247-L252 HydrophobicContact CG1-CB 3.91Å; V247-L252 HydrophobicContact CG1-CD2 3.71Å; V247-L252 HydrophobicContact CG1-CG 4.28Å; V247-L252 HydrophobicContact CG2-CD2 4.21Å; V247-K253 WeakPolarHBondContact O-CE 3.27Å
248E53.7Low58.3Low114 Ų11479 Ų7953%0.53342%0.416SS..  trans-86.7-21.4173.8-69.1-179.3-172.900112.6K137 D246 I250K137-E248 WeakPolarHBondContact CE-OE2 3.25Å; K137-E248 IonicContact NZ-OE1 2.87Å; K137-E248 PolarHBondContact NZ-OE1 3.24Å; K137-E248 IonicContact NZ-OE2 3.98Å; K137-E248 PolarHBondContact NZ-OE2 2.64Å; D246-E248 PolarHBondContact O-N 3.32Å; E248-I250 PolarHBondContact O-N 3.33Å
249S54.7Low57.2Low52 Ų5277.7 Ų77.736%0.36441%0.407SS..  trans-60.6115-174.8177.10000113.2V251 L252 K253S249-V251 VanDerWaalsContact C-N 3.27Å; S249-V251 PolarHBondContact O-N 3.29Å; S249-L252 PolarHBondContact O-N 3.09Å; S249-L252 PolarHBondContact OG-N 2.86Å; S249-K253 WeakPolarHBondContact O-CG 3.3Å; S249-K253 PolarHBondContact O-N 3.28Å
250I53.3Low56.4Low129 Ų12986 Ų8666%0.66244%0.436SS*.Hα-helixtrans-57.2-41.1173.5-78.1165.4000111.2E248 L252 K253 C254E248-I250 PolarHBondContact O-N 3.33Å; I250-L252 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 2.74Å; I250-K253 WeakPolarHBondContact O-CB 3.41Å; I250-K253 PolarHBondContact O-N 3.05Å; I250-C254 PolarHBondContact O-N 3.47Å; I250-C254 PolarHBondContact O-SG 2.9Å; I250-C254 VanDerWaalsContact O-SG 3.35Å
251V49.3Very low56.2Low100 Ų10084 Ų8461%0.60644%0.44SS*.Hα-helixtrans-62.9-43.7179.9178.20000110.7S249 C254 I255S249-V251 VanDerWaalsContact C-N 3.27Å; S249-V251 PolarHBondContact O-N 3.29Å; V251-C254 PolarHBondContact O-N 3.35Å; V251-I255 HydrophobicContact CG1-CD1 4.1Å; V251-I255 WeakPolarHBondContact O-CG1 3.14Å; V251-I255 PolarHBondContact O-N 2.05Å
252L52.5Low56.8Low38 Ų3890 Ų9020%0.19946%0.459CS..Hα-helixtrans-69.3-37.3178-155.467.9000111E202 L244 V247 S249 I250 C254 I255 I256E202-L252 WeakPolarHBondContact OE1-CD2 3.48Å; L244-L252 HydrophobicContact CD2-CD2 4.15Å; V247-L252 HydrophobicContact CG1-CB 3.91Å; V247-L252 HydrophobicContact CG1-CD2 3.71Å; V247-L252 HydrophobicContact CG1-CG 4.28Å; V247-L252 HydrophobicContact CG2-CD2 4.21Å; S249-L252 PolarHBondContact O-N 3.09Å; S249-L252 PolarHBondContact OG-N 2.86Å; I250-L252 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 2.74Å; L252-C254 VanDerWaalsContact C-N 3.34Å; L252-C254 PolarHBondContact O-N 3.01Å; L252-I255 HydrophobicContact CD1-CD1 4.43Å; L252-I255 PolarHBondContact O-N 3.01Å; L252-I256 HydrophobicContact CG-CD1 4.33Å; L252-I256 WeakPolarHBondContact O-CB 3.48Å; L252-I256 VanDerWaalsContact O-CD1 3.26Å; L252-I256 WeakPolarHBondContact O-CD1 3.34Å; L252-I256 WeakPolarHBondContact O-CG1 3.48Å; L252-I256 PolarHBondContact O-N 2.79Å
253K53.2Low57.5Low113 Ų11386.8 Ų86.849%0.49145%0.447SS..Hα-helixtrans-58.8-42.3170.9-72.9175.2-178171.30112.2V247 S249 I250 I256 A257V247-K253 WeakPolarHBondContact O-CE 3.27Å; S249-K253 WeakPolarHBondContact O-CG 3.3Å; S249-K253 PolarHBondContact O-N 3.28Å; I250-K253 WeakPolarHBondContact O-CB 3.41Å; I250-K253 PolarHBondContact O-N 3.05Å; K253-I256 PolarHBondContact O-N 3.16Å; K253-A257 WeakPolarHBondContact O-CB 3.22Å; K253-A257 PolarHBondContact O-N 3.17Å
254C51.1Low58.9Low70 Ų7085.4 Ų85.447%0.47344%0.44SS..Hα-helixtrans-64.4-43.9174.5-710000111.6I250 V251 L252 I256 A257 V258I250-C254 PolarHBondContact O-N 3.47Å; I250-C254 PolarHBondContact O-SG 2.9Å; I250-C254 VanDerWaalsContact O-SG 3.35Å; V251-C254 PolarHBondContact O-N 3.35Å; L252-C254 VanDerWaalsContact C-N 3.34Å; L252-C254 PolarHBondContact O-N 3.01Å; C254-I256 VanDerWaalsContact C-N 3.31Å; C254-I256 PolarHBondContact O-N 3.38Å; C254-A257 PolarHBondContact O-N 2.83Å; C254-V258 WeakPolarHBondContact O-CB 3.26Å; C254-V258 VanDerWaalsContact O-CG2 3.27Å; C254-V258 WeakPolarHBondContact O-CG2 3.49Å; C254-V258 PolarHBondContact O-N 2.69Å
255I54.1Low60.4Low85 Ų8585 Ų8544%0.43644%0.442SS..Hα-helixtrans-61.3-40.7175.6-68.6167.2000111V251 L252 N259V251-I255 HydrophobicContact CG1-CD1 4.1Å; V251-I255 WeakPolarHBondContact O-CG1 3.14Å; V251-I255 PolarHBondContact O-N 2.05Å; L252-I255 HydrophobicContact CD1-CD1 4.43Å; L252-I255 PolarHBondContact O-N 3.01Å; I255-N259 WeakPolarHBondContact O-CB 3.36Å; I255-N259 PolarHBondContact O-N 3.05Å; I255-N259 PolarHBondContact O-ND2 3Å
256I56.1Low61.8Low58 Ų5880.3 Ų80.330%0.29743%0.429SS..Hα-helixtrans-65.2-43.6175.4-65.7156.1000110.5L244 L252 K253 C254 N259 R260L244-I256 HydrophobicContact CB-CD1 4.23Å; L244-I256 HydrophobicContact CD1-CD1 3.27Å; L244-I256 HydrophobicContact CD1-CG1 3.65Å; L244-I256 HydrophobicContact CD2-CD1 4.29Å; L244-I256 HydrophobicContact CG-CD1 4.1Å; L252-I256 HydrophobicContact CG-CD1 4.33Å; L252-I256 WeakPolarHBondContact O-CB 3.48Å; L252-I256 VanDerWaalsContact O-CD1 3.26Å; L252-I256 WeakPolarHBondContact O-CD1 3.34Å; L252-I256 WeakPolarHBondContact O-CG1 3.48Å; L252-I256 PolarHBondContact O-N 2.79Å; K253-I256 PolarHBondContact O-N 3.16Å; C254-I256 VanDerWaalsContact C-N 3.31Å; C254-I256 PolarHBondContact O-N 3.38Å; I256-N259 CarbonylContact O-C 3.5Å; I256-N259 PolarHBondContact O-N 3.41Å; I256-R260 PolarHBondContact O-N 3.21Å
257A54.7Low63.6Low56 Ų5678.7 Ų78.746%0.46342%0.418SS..Hα-helixtrans-62.6-44.4178.200000111.6K253 C254 N259 R260K253-A257 WeakPolarHBondContact O-CB 3.22Å; K253-A257 PolarHBondContact O-N 3.17Å; C254-A257 PolarHBondContact O-N 2.83Å; A257-N259 VanDerWaalsContact C-N 3.29Å; A257-N259 PolarHBondContact O-N 3.47Å; A257-R260 VanDerWaalsContact O-CB 3.29Å; A257-R260 WeakPolarHBondContact O-CB 3.35Å; A257-R260 PolarHBondContact O-N 2.97Å
258V58.4Low65.4Low113 Ų11383.4 Ų83.469%0.68544%0.437SS*.Hα-helixtrans-65.2-34176.6171.90000111.5C254 P261C254-V258 WeakPolarHBondContact O-CB 3.26Å; C254-V258 VanDerWaalsContact O-CG2 3.27Å; C254-V258 WeakPolarHBondContact O-CG2 3.49Å; C254-V258 PolarHBondContact O-N 2.69Å; V258-P261 WeakPolarHBondContact O-CD 3.38Å
259N56.9Low67.2Low44 Ų4478 Ų7824%0.23541%0.412CS..THydrogen-bonded Turntrans-87.62.7177.1-74.3-79.2000114I255 I256 A257 P261 R262 V263I255-N259 WeakPolarHBondContact O-CB 3.36Å; I255-N259 PolarHBondContact O-N 3.05Å; I255-N259 PolarHBondContact O-ND2 3Å; I256-N259 CarbonylContact O-C 3.5Å; I256-N259 PolarHBondContact O-N 3.41Å; A257-N259 VanDerWaalsContact C-N 3.29Å; A257-N259 PolarHBondContact O-N 3.47Å; N259-P261 VanDerWaalsContact C-N 3.29Å; N259-P261 VanDerWaalsContact O-N 3.14Å; N259-R262 WeakPolarHBondContact O-CA 3.34Å; N259-R262 WeakPolarHBondContact O-CB 3.41Å; N259-R262 PolarHBondContact O-N 2.97Å; N259-R262 PolarHBondContact OD1-NH1 3.23Å; N259-V263 PolarHBondContact O-N 3.23Å
260R59.5Low69.1Low192 Ų19275.6 Ų75.673%0.72540%0.395SS*.G310 helixtrans-46.7-41.7178-97-172.9164.8175.7-2.4114.5I256 A257 R262 V263I256-R260 PolarHBondContact O-N 3.21Å; A257-R260 VanDerWaalsContact O-CB 3.29Å; A257-R260 WeakPolarHBondContact O-CB 3.35Å; A257-R260 PolarHBondContact O-N 2.97Å; R260-R262 PolarHBondContact O-N 2.96Å; R260-V263 WeakPolarHBondContact O-CB 3.44Å; R260-V263 PolarHBondContact O-N 3.45Å
261P61.7Low71.3Confident122 Ų12269.6 Ų69.679%0.79236%0.364SS*.G310 helixtrans-63-24.9179.1-20.932.1000113.4V258 N259V258-P261 WeakPolarHBondContact O-CD 3.38Å; N259-P261 VanDerWaalsContact C-N 3.29Å; N259-P261 VanDerWaalsContact O-N 3.14Å
262R71.9Confident73.6Confident165 Ų16565.1 Ų65.162%0.62334%0.337SS*.G310 helixtrans-90.4-2.7177.7-60.2-175.1-179.8123.1-0.5112.9N259 R260 I264N259-R262 WeakPolarHBondContact O-CA 3.34Å; N259-R262 WeakPolarHBondContact O-CB 3.41Å; N259-R262 PolarHBondContact O-N 2.97Å; N259-R262 PolarHBondContact OD1-NH1 3.23Å; R260-R262 PolarHBondContact O-N 2.96Å; R262-I264 PolarHBondContact O-N 3.25Å
263V77.9Confident75.7Confident48 Ų4863.3 Ų63.329%0.29133%0.328SS..  trans-77.7115.8-179.1179.40000109.4T238 K240 N259 R260T238-V263 HydrophobicContact CG2-CG2 4.17Å; T238-V263 CarbonylContact O-C 3.54Å; T238-V263 VanDerWaalsContact O-CA 3.26Å; T238-V263 WeakPolarHBondContact O-CA 3.41Å; K240-V263 HydrophobicContact CB-CG1 3.51Å; K240-V263 HydrophobicContact CG-CG1 4.23Å; K240-V263 VanDerWaalsContact N-CG1 3.33Å; N259-V263 PolarHBondContact O-N 3.23Å; R260-V263 WeakPolarHBondContact O-CB 3.44Å; R260-V263 PolarHBondContact O-N 3.45Å
264I85.3Confident77.9Confident16 Ų1658.2 Ų58.28%0.08231%0.306CS..BIsolated β-bridgetrans-94.9160.8178.565.9179.9000112.1H9 T238 V239 K240 R262 K268H9-I264 WeakPolarHBondContact NE2-CG2 3.45Å; T238-I264 PolarHBondContact O-N 2.86Å; V239-I264 HydrophobicContact CB-CG1 4.43Å; V239-I264 HydrophobicContact CG2-CD1 4.14Å; V239-I264 HydrophobicContact CG2-CG1 3.91Å; K240-I264 PolarHBondContact N-O 3.44Å; R262-I264 PolarHBondContact O-N 3.25Å; I264-K268 HydrophobicContact CB-CB 3.92Å; I264-K268 HydrophobicContact CB-CD 4.26Å; I264-K268 HydrophobicContact CD1-CB 3.98Å; I264-K268 HydrophobicContact CG1-CB 4.22Å; I264-K268 HydrophobicContact CG2-CD 4.45Å
265S90.1Very high80.1Confident55 Ų5555.9 Ų55.939%0.38529%0.287SS..  trans-67.5155.217468.60000111.3W267 K268 G269S265-W267 PolarHBondContact O-N 3.31Å; S265-K268 PolarHBondContact O-N 3.32Å; S265-K268 VanDerWaalsContact O-N 3.1Å; S265-K268 PolarHBondContact OG-N 2.77Å; S265-G269 PolarHBondContact O-N 2.92Å
266P90.5Very high82.2Confident36 Ų3651.8 Ų51.823%0.23427%0.266CS..Hα-helixtrans-51.6-37.4172.5-30.937.9000114.1V35 V239 G269 V270V35-P266 HydrophobicContact CG2-CB 3.78Å; V239-P266 HydrophobicContact CG1-CB 4.37Å; V239-P266 HydrophobicContact CG1-CG 4.25Å; P266-G269 PolarHBondContact O-N 3.14Å; P266-V270 PolarHBondContact O-N 2.78Å
267W94.5Very high84.3Confident39 Ų3949.2 Ų49.215%0.14825%0.253CS..Hα-helixtrans-66.9-40.7177.4-178.185.1000113.5V35 D79 A81 S265 G269 V270 Q271V35-W267 HydrophobicContact CG1-CB 4.18Å; V35-W267 HydrophobicContact CG1-CG 4.45Å; D79-W267 HydrophobicContact CB-CD2 4.33Å; D79-W267 HydrophobicContact CB-CG 4.13Å; D79-W267 VanDerWaalsContact O-CZ2 3.28Å; D79-W267 WeakPolarHBondContact O-CZ2 3.43Å; D79-W267 PolarHBondContact O-NE1 3.38Å; A81-W267 HydrophobicContact CB-CH2 4.35Å; A81-W267 HydrophobicContact CB-CZ2 4.41Å; S265-W267 PolarHBondContact O-N 3.31Å; W267-G269 VanDerWaalsContact C-N 3.29Å; W267-G269 PolarHBondContact O-N 2.94Å; W267-V270 PolarHBondContact O-N 3.29Å; W267-Q271 PolarHBondContact O-NE2 3.33Å
268K93.4Very high86.3Confident107 Ų10746.5 Ų46.547%0.46523%0.231SC..Hα-helixtrans-64.4-36.5171-73.7-175.3178.4-178.20111.5I264 S265 V270 Q271I264-K268 HydrophobicContact CB-CB 3.92Å; I264-K268 HydrophobicContact CB-CD 4.26Å; I264-K268 HydrophobicContact CD1-CB 3.98Å; I264-K268 HydrophobicContact CG1-CB 4.22Å; I264-K268 HydrophobicContact CG2-CD 4.45Å; S265-K268 PolarHBondContact O-N 3.32Å; S265-K268 VanDerWaalsContact O-N 3.1Å; S265-K268 PolarHBondContact OG-N 2.77Å; K268-V270 VanDerWaalsContact C-N 3.33Å; K268-V270 PolarHBondContact O-N 3.4Å; K268-Q271 WeakPolarHBondContact O-CB 3.26Å; K268-Q271 VanDerWaalsContact O-CG 3.3Å; K268-Q271 WeakPolarHBondContact O-CG 3.25Å; K268-Q271 PolarHBondContact O-N 2.74Å
269G91.9Very high88.2Confident0 Ų041.2 Ų41.20%020%0.199CC..Hα-helixtrans-68.1-29.7178.900000114.6P236 S265 P266 W267 Q271P236-G269 VanDerWaalsContact CB-O 3.28Å; P236-G269 WeakPolarHBondContact CB-O 3.46Å; P236-G269 VanDerWaalsContact O-CA 3.22Å; P236-G269 WeakPolarHBondContact O-CA 3.33Å; S265-G269 PolarHBondContact O-N 2.92Å; P266-G269 PolarHBondContact O-N 3.14Å; W267-G269 VanDerWaalsContact C-N 3.29Å; W267-G269 PolarHBondContact O-N 2.94Å; G269-Q271 VanDerWaalsContact C-N 3.26Å; G269-Q271 PolarHBondContact O-N 3.06Å
270V95.9Very high90Very high1 Ų144.5 Ų44.51%0.00622%0.217CC..Hα-helixtrans-69.5-22177.4149.40000113.3I32 V35 T36 E39 P266 W267 K268 T272 T273 L274I32-V270 HydrophobicContact CG2-CG2 3.77Å; I32-V270 WeakPolarHBondContact O-CG2 3.31Å; V35-V270 HydrophobicContact CB-CG2 3.83Å; V35-V270 HydrophobicContact CG1-CB 4.17Å; V35-V270 HydrophobicContact CG1-CG1 4.36Å; V35-V270 HydrophobicContact CG1-CG2 3.95Å; T36-V270 VanDerWaalsContact OG1-CG2 3.3Å; T36-V270 WeakPolarHBondContact OG1-CG2 3.37Å; E39-V270 HydrophobicContact CB-CG1 4.38Å; E39-V270 HydrophobicContact CG-CG1 3.94Å; P266-V270 PolarHBondContact O-N 2.78Å; W267-V270 PolarHBondContact O-N 3.29Å; K268-V270 VanDerWaalsContact C-N 3.33Å; K268-V270 PolarHBondContact O-N 3.4Å; V270-T272 VanDerWaalsContact C-N 3.25Å; V270-T272 PolarHBondContact O-N 2.8Å; V270-T272 VanDerWaalsContact O-N 3.11Å; V270-T273 CarbonylContact O-C 3.48Å; V270-T273 WeakPolarHBondContact O-CA 3.06Å; V270-T273 WeakPolarHBondContact O-CB 3.35Å; V270-T273 PolarHBondContact O-N 2.89Å; V270-L274 HydrophobicContact CG1-CB 4.18Å; V270-L274 PolarHBondContact O-N 3.36Å
271Q97.6Very high91.7Very high4 Ų440.8 Ų40.82%0.01921%0.211CC..Hα-helixtrans-56.9-37.4-169.8-61.8-58.1-48.700113.3K10 A11 W267 K268 G269 L274 Y275 C291K10-Q271 WeakPolarHBondContact O-CB 3.34Å; A11-Q271 HydrophobicContact CB-CG 4.24Å; W267-Q271 PolarHBondContact O-NE2 3.33Å; K268-Q271 WeakPolarHBondContact O-CB 3.26Å; K268-Q271 VanDerWaalsContact O-CG 3.3Å; K268-Q271 WeakPolarHBondContact O-CG 3.25Å; K268-Q271 PolarHBondContact O-N 2.74Å; G269-Q271 VanDerWaalsContact C-N 3.26Å; G269-Q271 PolarHBondContact O-N 3.06Å; Q271-L274 PolarHBondContact O-N 3.22Å; Q271-Y275 WeakPolarHBondContact O-CB 3.24Å; Q271-Y275 PolarHBondContact O-N 2.9Å; Q271-C291 PolarHBondContact O-SG 3.22Å; Q271-C291 VanDerWaalsContact O-SG 3.34Å
272T97.6Very high93.4Very high6 Ų636.4 Ų36.44%0.03718%0.181CC..Hα-helixtrans-72-40176.3-55.30000111.9V234 V270 L274 Y275 T276 N290 C291V234-T272 HydrophobicContact CG1-CG2 3.7Å; V234-T272 HydrophobicContact CG2-CG2 4.38Å; V270-T272 VanDerWaalsContact C-N 3.25Å; V270-T272 PolarHBondContact O-N 2.8Å; V270-T272 VanDerWaalsContact O-N 3.11Å; T272-L274 VanDerWaalsContact C-N 3.32Å; T272-L274 PolarHBondContact O-N 3.47Å; T272-Y275 WeakPolarHBondContact O-CB 3.32Å; T272-Y275 PolarHBondContact O-N 3.35Å; T272-T276 PolarHBondContact O-N 2.86Å; T272-T276 PolarHBondContact O-OG1 3.06Å; T272-N290 WeakPolarHBondContact OG1-CA 3.34Å; T272-N290 PolarHBondContact OG1-N 2.92Å; T272-N290 VanDerWaalsContact OG1-N 3.08Å; T272-C291 PolarHBondContact OG1-N 3.16Å
273T98.3Very high94.7Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-59.6-45.5173-54.30000110.7T36 I128 I176 V270 T276 V277T36-T273 HydrophobicContact CG2-CG2 3.95Å; I128-T273 HydrophobicContact CG2-CG2 4.11Å; I176-T273 HydrophobicContact CG2-CG2 4.28Å; V270-T273 CarbonylContact O-C 3.48Å; V270-T273 WeakPolarHBondContact O-CA 3.06Å; V270-T273 WeakPolarHBondContact O-CB 3.35Å; V270-T273 PolarHBondContact O-N 2.89Å; T273-T276 WeakPolarHBondContact CA-OG1 3.35Å; T273-T276 PolarHBondContact O-N 2.85Å; T273-T276 PolarHBondContact O-OG1 3.24Å; T273-V277 WeakPolarHBondContact O-CG2 3.16Å; T273-V277 PolarHBondContact O-N 3.38Å
274L98.1Very high95.7Very high5 Ų533.3 Ų33.33%0.02618%0.178CC..Hα-helixtrans-63.7-43.8178.6-17262.7000111.3C12 E39 V270 Q271 T272 T276 V277 L278C12-L274 HydrophobicContact CB-CB 4.37Å; C12-L274 HydrophobicContact CB-CD2 4.24Å; C12-L274 HydrophobicContact CB-CG 4.36Å; E39-L274 HydrophobicContact CB-CD1 4.2Å; E39-L274 HydrophobicContact CB-CD2 4.48Å; V270-L274 HydrophobicContact CG1-CB 4.18Å; V270-L274 PolarHBondContact O-N 3.36Å; Q271-L274 PolarHBondContact O-N 3.22Å; T272-L274 VanDerWaalsContact C-N 3.32Å; T272-L274 PolarHBondContact O-N 3.47Å; L274-T276 VanDerWaalsContact C-N 3.28Å; L274-T276 PolarHBondContact O-N 3.33Å; L274-V277 PolarHBondContact O-N 3.1Å; L274-L278 HydrophobicContact CD1-CD1 3.67Å; L274-L278 HydrophobicContact CD1-CG 4Å; L274-L278 HydrophobicContact CD2-CD1 4.36Å; L274-L278 HydrophobicContact CG-CD1 3.68Å; L274-L278 HydrophobicContact CG-CG 4.27Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 3.09Å
275Y98.4Very high96.3Very high21 Ų2133.3 Ų33.38%0.08218%0.181CC..Hα-helixtrans-54.3-45.1172.5-178.9-95.5000111.7E3 T4 I14 Q271 T272 V277 L278 S279 L282 Y288 C291E3-Y275 HydrophobicContact CB-CE2 3.91Å; E3-Y275 WeakPolarHBondContact OE2-CE2 3.44Å; E3-Y275 VanDerWaalsContact OE2-CZ 3.29Å; E3-Y275 PolarHBondContact OE2-OH 3.18Å; T4-Y275 HydrophobicContact CG2-CD2 3.92Å; T4-Y275 HydrophobicContact CG2-CE2 3.97Å; I14-Y275 HydrophobicContact CD1-CD2 3.89Å; I14-Y275 HydrophobicContact CD1-CE2 4.03Å; Q271-Y275 WeakPolarHBondContact O-CB 3.24Å; Q271-Y275 PolarHBondContact O-N 2.9Å; T272-Y275 WeakPolarHBondContact O-CB 3.32Å; T272-Y275 PolarHBondContact O-N 3.35Å; Y275-V277 VanDerWaalsContact C-N 3.27Å; Y275-V277 PolarHBondContact O-N 3.08Å; Y275-L278 PolarHBondContact O-N 3.21Å; Y275-S279 VanDerWaalsContact O-CB 3.26Å; Y275-S279 WeakPolarHBondContact O-CB 3.27Å; Y275-S279 PolarHBondContact O-N 3.19Å; Y275-L282 HydrophobicContact CD1-CD2 4.3Å; Y275-L282 HydrophobicContact CE1-CD2 3.96Å; Y275-Y288 HydrophobicContact CD1-CD1 4.21Å; Y275-Y288 HydrophobicContact CE1-CD1 4.02Å; Y275-Y288 AromaticContact CE1-CE1 3.96Å; Y275-Y288 HydrophobicContact CE1-CE1 3.96Å; Y275-C291 HydrophobicContact CD1-CB 4.36Å; Y275-C291 HydrophobicContact CD2-CB 3.98Å; Y275-C291 HydrophobicContact CG-CB 3.83Å
276T98.6Very high96.7Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-71.6-16.4177.155.20000114.9R174 V232 V234 T272 T273 L274 L282 Y288R174-T276 WeakPolarHBondContact CD-O 3.1Å; R174-T276 PolarHBondContact NH1-O 3.03Å; V232-T276 HydrophobicContact CG2-CG2 3.83Å; V234-T276 HydrophobicContact CG2-CG2 3.6Å; T272-T276 PolarHBondContact O-N 2.86Å; T272-T276 PolarHBondContact O-OG1 3.06Å; T273-T276 WeakPolarHBondContact CA-OG1 3.35Å; T273-T276 PolarHBondContact O-N 2.85Å; T273-T276 PolarHBondContact O-OG1 3.24Å; L274-T276 VanDerWaalsContact C-N 3.28Å; L274-T276 PolarHBondContact O-N 3.33Å; T276-L282 HydrophobicContact CG2-CD2 4.29Å; T276-L282 WeakPolarHBondContact O-CD1 3.24Å; T276-Y288 HydrophobicContact CG2-CD1 4.28Å; T276-Y288 HydrophobicContact CG2-CD2 4.05Å; T276-Y288 HydrophobicContact CG2-CG 3.78Å
277V98.6Very high97.1Very high3 Ų329.4 Ų29.42%0.01816%0.155CC..Hα-helixtrans-84.7-35.5171.6171.30000111.3L18 L40 F126 R174 I176 T273 L274 Y275L18-V277 HydrophobicContact CD1-CG1 4.12Å; L40-V277 HydrophobicContact CD2-CB 4.3Å; L40-V277 HydrophobicContact CD2-CG1 3.66Å; L40-V277 HydrophobicContact CD2-CG2 4.28Å; F126-V277 HydrophobicContact CD1-CG1 3.94Å; F126-V277 HydrophobicContact CE1-CG1 3.71Å; F126-V277 HydrophobicContact CE2-CG1 4.43Å; F126-V277 HydrophobicContact CG-CG1 4.43Å; F126-V277 HydrophobicContact CZ-CG1 3.97Å; R174-V277 VanDerWaalsContact CZ-O 3.22Å; R174-V277 PolarHBondContact NH1-O 2.99Å; I176-V277 HydrophobicContact CD1-CG2 4.01Å; I176-V277 HydrophobicContact CG1-CG2 4.33Å; T273-V277 WeakPolarHBondContact O-CG2 3.16Å; T273-V277 PolarHBondContact O-N 3.38Å; L274-V277 PolarHBondContact O-N 3.1Å; Y275-V277 VanDerWaalsContact C-N 3.27Å; Y275-V277 PolarHBondContact O-N 3.08Å
278L98.2Very high97.3Very high0 Ų027.8 Ų27.80%015%0.149CC..Hα-helixtrans-101.3-33.3-167.8-58.5179.4000114.8I14 K16 L18 L274 Y275I14-L278 HydrophobicContact CB-CB 4.01Å; I14-L278 HydrophobicContact CB-CD1 4.29Å; I14-L278 HydrophobicContact CD1-CB 4.12Å; I14-L278 HydrophobicContact CG2-CB 3.79Å; K16-L278 HydrophobicContact CB-CD2 4.26Å; L18-L278 HydrophobicContact CD1-CD2 4.16Å; L18-L278 HydrophobicContact CD2-CD2 3.97Å; L18-L278 HydrophobicContact CG-CD2 4.17Å; L274-L278 HydrophobicContact CD1-CD1 3.67Å; L274-L278 HydrophobicContact CD1-CG 4Å; L274-L278 HydrophobicContact CD2-CD1 4.36Å; L274-L278 HydrophobicContact CG-CD1 3.68Å; L274-L278 HydrophobicContact CG-CG 4.27Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 3.09Å; Y275-L278 PolarHBondContact O-N 3.21Å
279S97.4Very high97.4Very high1 Ų123.6 Ų23.61%0.00713%0.133CC..  trans-68.8135.4-174.7-178.40000111.4E3 I14 R174 Y275 N281E3-S279 PolarHBondContact OE1-OG 3.1Å; E3-S279 VanDerWaalsContact OE1-OG 3.08Å; E3-S279 PolarHBondContact OE2-OG 2.91Å; I14-S279 VanDerWaalsContact CD1-CA 3.5Å; R174-S279 PolarHBondContact NH1-O 3.43Å; R174-S279 PolarHBondContact NH2-O 3.08Å; Y275-S279 VanDerWaalsContact O-CB 3.26Å; Y275-S279 WeakPolarHBondContact O-CB 3.27Å; Y275-S279 PolarHBondContact O-N 3.19Å; S279-N281 VanDerWaalsContact C-N 3.27Å; S279-N281 PolarHBondContact OG-N 3.39Å; S279-N281 VanDerWaalsContact OG-N 3.11Å
280D95.5Very high97.6Very high114 Ų11425.7 Ų25.761%0.6115%0.145SC*.SBendtrans-86-4.3173-64.2-41.2000111.8K16 R174K16-D280 IonicContact NZ-OD1 2.77Å; K16-D280 PolarHBondContact NZ-OD1 3.46Å; K16-D280 IonicContact NZ-OD2 3.4Å; K16-D280 PolarHBondContact NZ-OD2 3.3Å; R174-D280 IonicContact NH2-OD1 3.51Å; R174-D280 PolarHBondContact NH2-OD1 3.24Å
281N95Very high97.7Very high114 Ų11425.9 Ų25.961%0.6115%0.146SC*.  trans-103.343.4-176.1-60.4-55.5000112.5E3 S279E3-N281 PolarHBondContact OE1-ND2 2.76Å; S279-N281 VanDerWaalsContact C-N 3.27Å; S279-N281 PolarHBondContact OG-N 3.39Å; S279-N281 VanDerWaalsContact OG-N 3.11Å
282L97.7Very high97.6Very high29 Ų2926.7 Ų26.715%0.15215%0.154CC..  trans-95.4143.4179.2-61.1178.9000112.2T230 Y275 T276 Y288T230-L282 HydrophobicContact CG2-CB 4.03Å; T230-L282 HydrophobicContact CG2-CD1 4.29Å; Y275-L282 HydrophobicContact CD1-CD2 4.3Å; Y275-L282 HydrophobicContact CE1-CD2 3.96Å; T276-L282 HydrophobicContact CG2-CD2 4.29Å; T276-L282 WeakPolarHBondContact O-CD1 3.24Å; L282-Y288 WeakPolarHBondContact CA-OH 3.36Å; L282-Y288 HydrophobicContact CD2-CD1 4.3Å; L282-Y288 HydrophobicContact CD2-CE1 3.65Å; L282-Y288 HydrophobicContact CD2-CE2 4.15Å
283I98.1Very high97.6Very high102 Ų10230.1 Ų30.152%0.52317%0.171SC..  trans-99115.3169.4-68.6165.6000107G285 G286 Y288 L293I283-G285 PolarHBondContact O-N 2.77Å; I283-G286 WeakPolarHBondContact O-CA 3.32Å; I283-G286 PolarHBondContact O-N 2.87Å; I283-Y288 PolarHBondContact N-OH 3.05Å; I283-L293 HydrophobicContact CD1-CD2 3.63Å
284S98.4Very high97.6Very high47 Ų4734.9 Ų34.933%0.32919%0.192SC..THydrogen-bonded Turntrans-58.6136.3172.9-156.40000109.4S221 V231 G286S221-S284 VanDerWaalsContact CB-OG 3.3Å; S221-S284 WeakPolarHBondContact CB-OG 3.44Å; V231-S284 PolarHBondContact N-OG 2.95Å; V231-S284 CarbonylContact O-C 3.48Å; V231-S284 WeakPolarHBondContact O-CA 3.29Å; V231-S284 PolarHBondContact O-OG 3.31Å; S284-G286 VanDerWaalsContact C-N 3.27Å
285G98.5Very high97.6Very high15 Ų1539.9 Ų39.916%0.15522%0.215CC..THydrogen-bonded Turntrans84.4-6.3-169.500000114V218 S221 V231 I283V218-G285 WeakPolarHBondContact CG2-O 3.24Å; S221-G285 WeakPolarHBondContact OG-CA 3.27Å; S221-G285 PolarHBondContact OG-N 3.49Å; V231-G285 PolarHBondContact O-N 2.82Å; I283-G285 PolarHBondContact O-N 2.77Å
286G98.5Very high97.6Very high6 Ų640 Ų406%0.06222%0.219CC..  trans-68.3145.6-17700000114.1S233 I283 S284S233-G286 PolarHBondContact N-O 3.24Å; S233-G286 PolarHBondContact OG-O 3.14Å; I283-G286 WeakPolarHBondContact O-CA 3.32Å; I283-G286 PolarHBondContact O-N 2.87Å; S284-G286 VanDerWaalsContact C-N 3.27Å
287Y98.7Very high97.5Very high4 Ų440.6 Ų40.62%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-98.9115.7168.2173.4-109000109.6S180 H183 Y184 V214 S233 H235 K294 P296S180-Y287 PolarHBondContact O-OH 3.35Å; H183-Y287 AromaticContact CE1-CE1 3.59Å; H183-Y287 AromaticContact CE1-CE2 3.81Å; H183-Y287 AromaticContact CE1-CZ 3.36Å; H183-Y287 PolarHBondContact CE1-OH 2.95Å; H183-Y287 AromaticContact ND1-CE2 3.88Å; H183-Y287 AromaticContact ND1-CZ 3.65Å; H183-Y287 PolarHBondContact ND1-OH 2.93Å; Y184-Y287 HydrophobicContact CE2-CE1 4.42Å; V214-Y287 HydrophobicContact CG1-CD2 4.38Å; V214-Y287 HydrophobicContact CG2-CD2 3.99Å; V214-Y287 HydrophobicContact CG2-CE2 4.22Å; S233-Y287 WeakPolarHBondContact O-CA 3.37Å; S233-Y287 WeakPolarHBondContact OG-CA 3.47Å; S233-Y287 WeakPolarHBondContact OG-CD2 3.06Å; H235-Y287 HydrophobicContact CB-CE2 3.91Å; H235-Y287 WeakPolarHBondContact CB-OH 3.49Å; Y287-K294 HydrophobicContact CD1-CB 3.77Å; Y287-K294 HydrophobicContact CE1-CB 4.11Å; Y287-K294 PolarHBondContact O-N 3.36Å; Y287-P296 HydrophobicContact CG-CB 4.45Å
288Y98.5Very high97.5Very high4 Ų451.2 Ų51.22%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-106.6133.8-175.8-73.8-97.8000111.2V232 S233 V234 H235 Y275 T276 L282 I283 A292 L293V232-Y288 HydrophobicContact CB-CD2 4.05Å; V232-Y288 HydrophobicContact CB-CE2 4.23Å; V232-Y288 HydrophobicContact CG1-CD2 4.04Å; V232-Y288 HydrophobicContact CG1-CE2 3.7Å; S233-Y288 PolarHBondContact O-N 3.49Å; V234-Y288 CarbonylContact C-O 3.59Å; V234-Y288 WeakPolarHBondContact CA-O 3.09Å; H235-Y288 PolarHBondContact N-O 3.07Å; Y275-Y288 HydrophobicContact CD1-CD1 4.21Å; Y275-Y288 HydrophobicContact CE1-CD1 4.02Å; Y275-Y288 AromaticContact CE1-CE1 3.96Å; Y275-Y288 HydrophobicContact CE1-CE1 3.96Å; T276-Y288 HydrophobicContact CG2-CD1 4.28Å; T276-Y288 HydrophobicContact CG2-CD2 4.05Å; T276-Y288 HydrophobicContact CG2-CG 3.78Å; L282-Y288 WeakPolarHBondContact CA-OH 3.36Å; L282-Y288 HydrophobicContact CD2-CD1 4.3Å; L282-Y288 HydrophobicContact CD2-CE1 3.65Å; L282-Y288 HydrophobicContact CD2-CE2 4.15Å; I283-Y288 PolarHBondContact N-OH 3.05Å; Y288-A292 WeakPolarHBondContact CA-O 3.46Å; Y288-A292 VanDerWaalsContact CD1-C 3.48Å; Y288-L293 HydrophobicContact CD1-CB 4.48Å; Y288-L293 HydrophobicContact CD2-CD1 4.41Å; Y288-L293 HydrophobicContact CE1-CB 3.97Å; Y288-L293 HydrophobicContact CE1-CD1 4.49Å; Y288-L293 HydrophobicContact CE2-CD1 3.91Å
289S96.8Very high97.4Very high19 Ų1953.5 Ų53.513%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-146.4139.6170.7-170.70000110.2H235 C291 A292H235-S289 PolarHBondContact CD2-OG 3.42Å; H235-S289 PolarHBondContact O-OG 3.39Å; S289-C291 VanDerWaalsContact C-N 3.3Å; S289-C291 PolarHBondContact O-N 3.08Å; S289-A292 PolarHBondContact N-O 3.02Å; S289-A292 PolarHBondContact O-N 3Å; S289-A292 VanDerWaalsContact O-O 3.11Å
290N95.7Very high97.5Very high45 Ų4553.7 Ų53.724%0.24128%0.275CS..THydrogen-bonded Turntrans56.147.1-178.1-157.530.9000111.3W8 H9 K10 T272 A292W8-N290 PolarHBondContact O-ND2 2.98Å; H9-N290 WeakPolarHBondContact CA-OD1 3.26Å; K10-N290 WeakPolarHBondContact CD-O 3.3Å; K10-N290 PolarHBondContact N-OD1 2.95Å; T272-N290 WeakPolarHBondContact OG1-CA 3.34Å; T272-N290 PolarHBondContact OG1-N 2.92Å; T272-N290 VanDerWaalsContact OG1-N 3.08Å; N290-A292 PolarHBondContact O-N 3.04Å; N290-A292 VanDerWaalsContact O-N 3.16Å
291C96.7Very high97.5Very high4 Ų454.5 Ų54.53%0.02727%0.273CS..THydrogen-bonded Turntrans52.234.5-178.6-51.60000114.4T4 K10 Q271 T272 Y275 S289T4-C291 HydrophobicContact CG2-CB 3.44Å; T4-C291 VanDerWaalsContact CG2-CB 3.44Å; K10-C291 HydrophobicContact CB-CB 4.03Å; Q271-C291 PolarHBondContact O-SG 3.22Å; Q271-C291 VanDerWaalsContact O-SG 3.34Å; T272-C291 PolarHBondContact OG1-N 3.16Å; Y275-C291 HydrophobicContact CD1-CB 4.36Å; Y275-C291 HydrophobicContact CD2-CB 3.98Å; Y275-C291 HydrophobicContact CG-CB 3.83Å; S289-C291 VanDerWaalsContact C-N 3.3Å; S289-C291 PolarHBondContact O-N 3.08Å
292A96.9Very high97.6Very high22 Ų2252 Ų5218%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-148.3151.1178.900000110.9Y288 S289 N290Y288-A292 WeakPolarHBondContact CA-O 3.46Å; Y288-A292 VanDerWaalsContact CD1-C 3.48Å; S289-A292 PolarHBondContact N-O 3.02Å; S289-A292 PolarHBondContact O-N 3Å; S289-A292 VanDerWaalsContact O-O 3.11Å; N290-A292 PolarHBondContact O-N 3.04Å; N290-A292 VanDerWaalsContact O-N 3.16Å
293L98Very high97.6Very high78 Ų7858.5 Ų58.541%0.40829%0.287SS..EExtended strand (participates in β ladder)trans-63.1137.8170.1-176.666.1000109.9I283 Y288I283-L293 HydrophobicContact CD1-CD2 3.63Å; Y288-L293 HydrophobicContact CD1-CB 4.48Å; Y288-L293 HydrophobicContact CD2-CD1 4.41Å; Y288-L293 HydrophobicContact CE1-CB 3.97Å; Y288-L293 HydrophobicContact CE1-CD1 4.49Å; Y288-L293 HydrophobicContact CE2-CD1 3.91Å
294K97.8Very high97.6Very high99 Ų9961 Ų6143%0.4330%0.296SS..EExtended strand (participates in β ladder)trans-134.9154.2178.7-62.9-61.7174.9-171.30110.6Y287 P296Y287-K294 HydrophobicContact CD1-CB 3.77Å; Y287-K294 HydrophobicContact CE1-CB 4.11Å; Y287-K294 PolarHBondContact O-N 3.36Å; K294-P296 WeakPolarHBondContact O-CD 3.46Å
295E97.8Very high97.6Very high111 Ų11160.7 Ų60.752%0.51929%0.29SS..  trans-75.7119.2177.3-166.459.2-131.100110.5Y184 K301Y184-E295 WeakPolarHBondContact CE1-O 3.34Å; Y184-E295 PolarHBondContact OH-O 2.87Å; E295-K301 VanDerWaalsContact CD-NZ 3.35Å; E295-K301 WeakPolarHBondContact OE1-CE 3.27Å; E295-K301 IonicContact OE1-NZ 3.13Å; E295-K301 PolarHBondContact OE1-NZ 3.42Å; E295-K301 IonicContact OE2-NZ 3.67Å
296P98Very high97.5Very high24 Ų2460.8 Ų60.816%0.15629%0.287CS..  trans-74.2176.5176.832.7-36.6000112.1V214 Y287 K294 V300V214-P296 HydrophobicContact CG1-CB 3.85Å; Y287-P296 HydrophobicContact CG-CB 4.45Å; K294-P296 WeakPolarHBondContact O-CD 3.46Å; P296-V300 HydrophobicContact CB-CB 4.01Å; P296-V300 HydrophobicContact CB-CG1 3.98Å; P296-V300 HydrophobicContact CB-CG2 4.06Å; P296-V300 HydrophobicContact CG-CB 4.03Å; P296-V300 HydrophobicContact CG-CG1 3.77Å
297S97.2Very high97.4Very high12 Ų1265 Ų658%0.08431%0.307CS..  trans-61.1149.4176.174.70000112.5H183 L211 I299 V300H183-S297 PolarHBondContact NE2-N 3.02Å; L211-S297 WeakPolarHBondContact CD1-OG 3.37Å; S297-I299 PolarHBondContact O-N 2.87Å; S297-I299 VanDerWaalsContact O-N 3.08Å; S297-V300 VanDerWaalsContact O-CB 3.25Å; S297-V300 WeakPolarHBondContact O-CB 3.42Å; S297-V300 PolarHBondContact O-N 3.41Å
298R97.6Very high97.4Very high225 Ų22568.2 Ų68.285%0.84932%0.319SS*.G310 helixtrans-55-35.2-171.7-168178.574.5103.1-1.3114.2V300 K301R298-V300 PolarHBondContact O-N 3.2Å; R298-K301 WeakPolarHBondContact O-CB 3.47Å; R298-K301 PolarHBondContact O-N 3.18Å
299I97.6Very high97.3Very high49 Ų4968.2 Ų68.225%0.25132%0.319SS..G310 helixtrans-63.8-25.3179.8-164.9175.1000112.5L188 L211 S297 K301 N302 E305L188-I299 HydrophobicContact CD1-CD1 4.32Å; L188-I299 HydrophobicContact CG-CD1 4.24Å; L211-I299 HydrophobicContact CD1-CG2 3.63Å; L211-I299 HydrophobicContact CD2-CG2 3.8Å; L211-I299 HydrophobicContact CG-CG2 4.3Å; S297-I299 PolarHBondContact O-N 2.87Å; S297-I299 VanDerWaalsContact O-N 3.08Å; I299-K301 PolarHBondContact O-N 3.01Å; I299-N302 WeakPolarHBondContact O-CB 3.47Å; I299-N302 PolarHBondContact O-N 3.26Å; I299-E305 HydrophobicContact CG1-CB 4.39Å; I299-E305 HydrophobicContact CG1-CG 4.34Å
300V97.7Very high97.3Very high5 Ų569.6 Ų69.63%0.0332%0.321CS..G310 helixtrans-65.2-18.1175.3178.10000111.7L211 V214 M215 V218 P296 S297 R298 I306L211-V300 HydrophobicContact CD1-CG2 3.75Å; V214-V300 HydrophobicContact CB-CG2 4.22Å; V214-V300 HydrophobicContact CG1-CB 4.5Å; V214-V300 HydrophobicContact CG1-CG1 3.83Å; V214-V300 HydrophobicContact CG1-CG2 3.87Å; M215-V300 HydrophobicContact CG-CB 4.49Å; M215-V300 HydrophobicContact CG-CG2 3.87Å; V218-V300 HydrophobicContact CB-CG1 4.47Å; V218-V300 HydrophobicContact CG2-CG1 3.6Å; P296-V300 HydrophobicContact CB-CB 4.01Å; P296-V300 HydrophobicContact CB-CG1 3.98Å; P296-V300 HydrophobicContact CB-CG2 4.06Å; P296-V300 HydrophobicContact CG-CB 4.03Å; P296-V300 HydrophobicContact CG-CG1 3.77Å; S297-V300 VanDerWaalsContact O-CB 3.25Å; S297-V300 WeakPolarHBondContact O-CB 3.42Å; S297-V300 PolarHBondContact O-N 3.41Å; R298-V300 PolarHBondContact O-N 3.2Å; V300-I306 WeakPolarHBondContact O-CD1 3.13Å
301K96.4Very high97.3Very high130 Ų13071.3 Ų71.357%0.56533%0.331SS*.G310 helixtrans-87.2-7.8173.9-57-172.7-178-168.30113.6E295 R298 I299 K303E295-K301 VanDerWaalsContact CD-NZ 3.35Å; E295-K301 WeakPolarHBondContact OE1-CE 3.27Å; E295-K301 IonicContact OE1-NZ 3.13Å; E295-K301 PolarHBondContact OE1-NZ 3.42Å; E295-K301 IonicContact OE2-NZ 3.67Å; R298-K301 WeakPolarHBondContact O-CB 3.47Å; R298-K301 PolarHBondContact O-N 3.18Å; I299-K301 PolarHBondContact O-N 3.01Å; K301-K303 PolarHBondContact O-N 3.01Å
302N97.9Very high97.3Very high63 Ų6374 Ų7434%0.33734%0.34SS..  trans-84.3106.2-178.7-174.5-30.4000109.9I299 E304 E305 I306I299-N302 WeakPolarHBondContact O-CB 3.47Å; I299-N302 PolarHBondContact O-N 3.26Å; N302-E304 VanDerWaalsContact C-N 3.33Å; N302-E304 PolarHBondContact O-N 2.99Å; N302-E304 WeakPolarHBondContact OD1-CB 3.28Å; N302-E304 PolarHBondContact OD1-N 3.02Å; N302-E305 HydrophobicContact CB-CB 4.12Å; N302-E305 HydrophobicContact CB-CG 4.17Å; N302-E305 PolarHBondContact O-N 3.25Å; N302-E305 PolarHBondContact OD1-N 3.29Å; N302-E305 VanDerWaalsContact OD1-N 3.16Å; N302-I306 WeakPolarHBondContact O-CG1 3.17Å; N302-I306 PolarHBondContact O-N 2.85Å; N302-I306 VanDerWaalsContact O-N 3.07Å
303K96.5Very high97.4Very high164 Ų16473 Ų7371%0.71333%0.332SS*.Hα-helixtrans-60.9-38-179.7-69.1-172.9176.2-172.90113K301 I306 I307K301-K303 PolarHBondContact O-N 3.01Å; K303-I306 PolarHBondContact O-N 3.2Å; K303-I307 VanDerWaalsContact O-CG1 3.28Å; K303-I307 WeakPolarHBondContact O-CG1 3.24Å; K303-I307 PolarHBondContact O-N 3.41Å
304E97.7Very high97.3Very high155 Ų15570.1 Ų70.172%0.72432%0.316SS*.Hα-helixtrans-65.9-43.7179.7-63.5177.4177.800111.2N302 I306 I307 W308N302-E304 VanDerWaalsContact C-N 3.33Å; N302-E304 PolarHBondContact O-N 2.99Å; N302-E304 WeakPolarHBondContact OD1-CB 3.28Å; N302-E304 PolarHBondContact OD1-N 3.02Å; E304-I306 VanDerWaalsContact C-N 3.33Å; E304-I306 PolarHBondContact O-N 3.32Å; E304-I307 PolarHBondContact O-N 2.84Å; E304-W308 VanDerWaalsContact O-CB 3.27Å; E304-W308 WeakPolarHBondContact O-CB 3.21Å; E304-W308 PolarHBondContact O-N 2.85Å
305E98Very high97.2Very high41 Ų4172.5 Ų72.519%0.19233%0.326CS..Hα-helixtrans-67.5-34.5177.2-68.6-69-178.400111.9L188 K190 M215 I299 N302 L309L188-E305 HydrophobicContact CD1-CB 3.89Å; L188-E305 HydrophobicContact CD1-CG 4.43Å; L188-E305 VanDerWaalsContact CD1-OE2 3.3Å; L188-E305 WeakPolarHBondContact CD1-OE2 3.34Å; K190-E305 WeakPolarHBondContact CE-OE2 3.44Å; K190-E305 VanDerWaalsContact NZ-CD 3.26Å; K190-E305 IonicContact NZ-OE1 2.71Å; K190-E305 PolarHBondContact NZ-OE1 3.1Å; K190-E305 IonicContact NZ-OE2 3.77Å; K190-E305 PolarHBondContact NZ-OE2 3.11Å; M215-E305 HydrophobicContact CE-CB 3.91Å; I299-E305 HydrophobicContact CG1-CB 4.39Å; I299-E305 HydrophobicContact CG1-CG 4.34Å; N302-E305 HydrophobicContact CB-CB 4.12Å; N302-E305 HydrophobicContact CB-CG 4.17Å; N302-E305 PolarHBondContact O-N 3.25Å; N302-E305 PolarHBondContact OD1-N 3.29Å; N302-E305 VanDerWaalsContact OD1-N 3.16Å; E305-L309 VanDerWaalsContact O-CB 3.31Å; E305-L309 WeakPolarHBondContact O-CB 3.48Å; E305-L309 PolarHBondContact O-N 2.75Å
306I97.7Very high97.2Very high16 Ų1669 Ų698%0.08231%0.311CS..Hα-helixtrans-63.1-50.9172.7-73.6169.1000111.1M215 V218 E219 V300 N302 K303 E304 W308 L309 R310M215-I306 HydrophobicContact CB-CG1 4.42Å; M215-I306 HydrophobicContact CE-CB 4.37Å; M215-I306 HydrophobicContact CE-CG1 3.59Å; V218-I306 HydrophobicContact CB-CD1 4.19Å; V218-I306 HydrophobicContact CG1-CD1 3.64Å; E219-I306 HydrophobicContact CB-CG2 3.54Å; E219-I306 HydrophobicContact CG-CG2 3.89Å; V300-I306 WeakPolarHBondContact O-CD1 3.13Å; N302-I306 WeakPolarHBondContact O-CG1 3.17Å; N302-I306 PolarHBondContact O-N 2.85Å; N302-I306 VanDerWaalsContact O-N 3.07Å; K303-I306 PolarHBondContact O-N 3.2Å; E304-I306 VanDerWaalsContact C-N 3.33Å; E304-I306 PolarHBondContact O-N 3.32Å; I306-W308 VanDerWaalsContact C-N 3.31Å; I306-W308 PolarHBondContact O-N 3.35Å; I306-L309 PolarHBondContact O-N 3.2Å; I306-R310 PolarHBondContact O-N 2.92Å
307I96.4Very high97.2Very high96 Ų9668.2 Ų68.249%0.49231%0.305SS..Hα-helixtrans-62.6-42.2179.9-69.1166000110K303 E304 R310 N311K303-I307 VanDerWaalsContact O-CG1 3.28Å; K303-I307 WeakPolarHBondContact O-CG1 3.24Å; K303-I307 PolarHBondContact O-N 3.41Å; E304-I307 PolarHBondContact O-N 2.84Å; I307-R310 PolarHBondContact O-N 3.36Å; I307-N311 WeakPolarHBondContact O-CB 3.5Å; I307-N311 VanDerWaalsContact O-CG 3.27Å; I307-N311 PolarHBondContact O-N 2.99Å
308W97.5Very high97.1Very high71 Ų7170.2 Ų70.227%0.26933%0.327SS..Hα-helixtrans-60.2-47.6175.717987.5000111.6L188 K190 P191 L193 E304 I306 R310 N311 R312L188-W308 HydrophobicContact CB-CZ3 4.11Å; L188-W308 HydrophobicContact CD1-CE3 3.97Å; L188-W308 HydrophobicContact CD1-CZ3 4.08Å; K190-W308 HydrophobicContact CB-CH2 4.46Å; K190-W308 HydrophobicContact CB-CZ2 4.47Å; K190-W308 HydrophobicContact CD-CH2 4.38Å; K190-W308 HydrophobicContact CD-CZ2 4.21Å; K190-W308 HydrophobicContact CG-CH2 3.63Å; K190-W308 HydrophobicContact CG-CZ2 3.79Å; K190-W308 HydrophobicContact CG-CZ3 4.2Å; P191-W308 WeakPolarHBondContact O-CZ2 3.4Å; L193-W308 HydrophobicContact CD2-CH2 3.74Å; L193-W308 HydrophobicContact CD2-CZ3 3.47Å; L193-W308 VanDerWaalsContact CD2-CZ3 3.47Å; L193-W308 HydrophobicContact CG-CH2 4.14Å; L193-W308 HydrophobicContact CG-CZ3 4.28Å; E304-W308 VanDerWaalsContact O-CB 3.27Å; E304-W308 WeakPolarHBondContact O-CB 3.21Å; E304-W308 PolarHBondContact O-N 2.85Å; I306-W308 VanDerWaalsContact C-N 3.31Å; I306-W308 PolarHBondContact O-N 3.35Å; W308-R310 PolarHBondContact O-N 2.77Å; W308-N311 PolarHBondContact O-N 3.08Å; W308-R312 HydrophobicContact CH2-CG 4.3Å; W308-R312 HydrophobicContact CZ2-CB 4.27Å; W308-R312 HydrophobicContact CZ2-CG 4.06Å; W308-R312 VanDerWaalsContact O-CB 3.22Å; W308-R312 WeakPolarHBondContact O-CB 3.46Å; W308-R312 PolarHBondContact O-N 3.13Å
309L98Very high96.9Very high3 Ų359.6 Ų59.62%0.01629%0.287CS..Hα-helixtrans-56.5-49.6177.6172.465.4000110.9Y153 L188 L193 A212 M215 E305 I306 T313Y153-L309 HydrophobicContact CE1-CD1 3.89Å; Y153-L309 WeakPolarHBondContact OH-CG 3.35Å; L188-L309 HydrophobicContact CD2-CD1 3.95Å; L188-L309 HydrophobicContact CD2-CD2 4.35Å; L188-L309 HydrophobicContact CD2-CG 4.5Å; L193-L309 HydrophobicContact CD1-CD1 3.65Å; L193-L309 HydrophobicContact CD2-CD1 3.51Å; L193-L309 HydrophobicContact CG-CD1 4.24Å; A212-L309 HydrophobicContact CB-CD1 4.4Å; A212-L309 HydrophobicContact CB-CD2 4.3Å; M215-L309 HydrophobicContact CB-CD2 3.5Å; M215-L309 HydrophobicContact CG-CD2 4.4Å; M215-L309 HydrophobicContact SD-CD2 4.18Å; E305-L309 VanDerWaalsContact O-CB 3.31Å; E305-L309 WeakPolarHBondContact O-CB 3.48Å; E305-L309 PolarHBondContact O-N 2.75Å; I306-L309 PolarHBondContact O-N 3.2Å; L309-T313 VanDerWaalsContact O-CB 3.28Å; L309-T313 WeakPolarHBondContact O-CB 3.48Å; L309-T313 PolarHBondContact O-N 2.78Å; L309-T313 PolarHBondContact O-OG1 3.29Å
310R96.2Very high96.2Very high48 Ų4861.8 Ų61.818%0.18130%0.3CS..Hα-helixtrans-57.8-56.2178.1-176.8-157.2177.1-160.1-8.6111.1F157 E219 R223 I306 I307 W308 R312 T313 R314 D327F157-R310 HydrophobicContact CZ-CG 4.32Å; E219-R310 HydrophobicContact CG-CB 4.03Å; E219-R310 HydrophobicContact CG-CG 4.1Å; E219-R310 WeakPolarHBondContact OE1-CD 3.44Å; E219-R310 IonicContact OE1-CZ 2.87Å; E219-R310 IonicContact OE1-NE 3.8Å; E219-R310 PolarHBondContact OE1-NE 2.87Å; E219-R310 VanDerWaalsContact OE1-NE 3.15Å; R223-R310 VanDerWaalsContact CD-NH2 3.34Å; I306-R310 PolarHBondContact O-N 2.92Å; I307-R310 PolarHBondContact O-N 3.36Å; W308-R310 PolarHBondContact O-N 2.77Å; R310-R312 VanDerWaalsContact C-N 3.3Å; R310-R312 PolarHBondContact O-N 2.87Å; R310-T313 PolarHBondContact O-N 3.29Å; R310-T313 VanDerWaalsContact O-N 3.17Å; R310-R314 WeakPolarHBondContact O-CG 3.11Å; R310-R314 PolarHBondContact O-N 2.81Å; R310-D327 IonicContact NH2-OD1 3.65Å
311N95.9Very high95.1Very high82 Ų8270.3 Ų70.344%0.43934%0.336SS..Hα-helixtrans-62.3-40.9-174.7-70.6-10.6000111.3I307 W308 R314 K315I307-N311 WeakPolarHBondContact O-CB 3.5Å; I307-N311 VanDerWaalsContact O-CG 3.27Å; I307-N311 PolarHBondContact O-N 2.99Å; W308-N311 PolarHBondContact O-N 3.08Å; N311-R314 PolarHBondContact O-N 3.43Å; N311-K315 PolarHBondContact O-N 3.32Å; N311-K315 VanDerWaalsContact O-N 3.07Å
312R97.2Very high93.9Very high61 Ų6167.6 Ų67.623%0.2333%0.328CS..Hα-helixtrans-66-42.4177.2-172.852.7171.5144.6-0.2111.6P191 L193 W308 R310 K315 L316P191-R312 PolarHBondContact O-NE 3.05Å; L193-R312 HydrophobicContact CD1-CB 4.47Å; L193-R312 HydrophobicContact CD1-CG 4.27Å; L193-R312 HydrophobicContact CG-CG 4.44Å; W308-R312 HydrophobicContact CH2-CG 4.3Å; W308-R312 HydrophobicContact CZ2-CB 4.27Å; W308-R312 HydrophobicContact CZ2-CG 4.06Å; W308-R312 VanDerWaalsContact O-CB 3.22Å; W308-R312 WeakPolarHBondContact O-CB 3.46Å; W308-R312 PolarHBondContact O-N 3.13Å; R310-R312 VanDerWaalsContact C-N 3.3Å; R310-R312 PolarHBondContact O-N 2.87Å; R312-K315 PolarHBondContact O-N 2.64Å; R312-L316 HydrophobicContact CG-CD1 4.15Å; R312-L316 WeakPolarHBondContact O-CG 3.46Å; R312-L316 PolarHBondContact O-N 3.44Å
313T97.7Very high92.1Very high0 Ų070.2 Ų70.20%035%0.346CS..Hα-helixtrans-62.3-46.2177.5-54.40000111.1Y153 F154 F157 L193 L309 R310 K315 L316 L317Y153-T313 HydrophobicContact CE1-CG2 3.78Å; Y153-T313 VanDerWaalsContact CE1-OG1 3.29Å; Y153-T313 WeakPolarHBondContact CE1-OG1 3.22Å; Y153-T313 PolarHBondContact OH-OG1 3.34Å; F154-T313 HydrophobicContact CD1-CG2 4.03Å; F154-T313 HydrophobicContact CE1-CG2 4.45Å; F157-T313 HydrophobicContact CB-CG2 4.05Å; F157-T313 HydrophobicContact CD1-CG2 3.6Å; F157-T313 HydrophobicContact CD2-CG2 3.77Å; F157-T313 HydrophobicContact CE1-CG2 3.95Å; F157-T313 HydrophobicContact CE2-CG2 4.11Å; F157-T313 HydrophobicContact CG-CG2 3.51Å; F157-T313 HydrophobicContact CZ-CG2 4.2Å; L193-T313 WeakPolarHBondContact CD1-OG1 3.27Å; L309-T313 VanDerWaalsContact O-CB 3.28Å; L309-T313 WeakPolarHBondContact O-CB 3.48Å; L309-T313 PolarHBondContact O-N 2.78Å; L309-T313 PolarHBondContact O-OG1 3.29Å; R310-T313 PolarHBondContact O-N 3.29Å; R310-T313 VanDerWaalsContact O-N 3.17Å; T313-K315 VanDerWaalsContact C-N 3.33Å; T313-K315 PolarHBondContact O-N 2.97Å; T313-L316 PolarHBondContact O-N 3.02Å; T313-L317 HydrophobicContact CG2-CD1 3.77Å; T313-L317 HydrophobicContact CG2-CG 4.4Å; T313-L317 WeakPolarHBondContact O-CB 3.29Å; T313-L317 WeakPolarHBondContact O-CG 3.41Å; T313-L317 PolarHBondContact O-N 3.3Å
314R96.7Very high90.1Very high18 Ų1862.9 Ų62.97%0.06832%0.315CS..Hα-helixtrans-58.5-43.3176.5-71.9175.761.482.9-4.6112.4F157 E161 R310 N311 L317 G318 I319 D320 L322F157-R314 HydrophobicContact CE1-CG 3.95Å; F157-R314 HydrophobicContact CZ-CG 4.06Å; E161-R314 IonicContact OE2-NH1 2.77Å; R310-R314 WeakPolarHBondContact O-CG 3.11Å; R310-R314 PolarHBondContact O-N 2.81Å; N311-R314 PolarHBondContact O-N 3.43Å; R314-L317 PolarHBondContact O-N 3.21Å; R314-G318 PolarHBondContact O-N 2.92Å; R314-I319 HydrophobicContact CB-CG1 4.06Å; R314-I319 HydrophobicContact CG-CD1 4.39Å; R314-I319 HydrophobicContact CG-CG1 4.15Å; R314-I319 PolarHBondContact NH2-O 2.83Å; R314-I319 PolarHBondContact O-N 2.99Å; R314-D320 PolarHBondContact NH2-O 3.19Å; R314-L322 PolarHBondContact NH2-O 2.93Å
315K96.3Very high87.6Confident148 Ų14859.3 Ų59.364%0.64331%0.312SS*.Hα-helixtrans-63.7-44176.6-176.3172.6-178.8174.20112.2N311 R312 T313 L317 G318N311-K315 PolarHBondContact O-N 3.32Å; N311-K315 VanDerWaalsContact O-N 3.07Å; R312-K315 PolarHBondContact O-N 2.64Å; T313-K315 VanDerWaalsContact C-N 3.33Å; T313-K315 PolarHBondContact O-N 2.97Å; K315-L317 VanDerWaalsContact C-N 3.28Å; K315-L317 PolarHBondContact O-N 3.18Å; K315-G318 PolarHBondContact O-N 3.07Å
316L96.8Very high85.1Confident39 Ų3959.9 Ų59.920%0.20432%0.32CS..Hα-helixtrans-63.6-35.4178.3-72.3167.4000112.1F145 F154 D192 L193 R312 T313 G318F145-L316 HydrophobicContact CE1-CB 4.14Å; F154-L316 HydrophobicContact CE1-CD1 4.26Å; F154-L316 HydrophobicContact CZ-CD1 4.11Å; D192-L316 WeakPolarHBondContact O-CD1 3.14Å; L193-L316 HydrophobicContact CD1-CD1 4.23Å; R312-L316 HydrophobicContact CG-CD1 4.15Å; R312-L316 WeakPolarHBondContact O-CG 3.46Å; R312-L316 PolarHBondContact O-N 3.44Å; T313-L316 PolarHBondContact O-N 3.02Å; L316-G318 VanDerWaalsContact C-N 3.33Å
317L97.2Very high82.7Confident6 Ų666 Ų663%0.03135%0.353CS..THydrogen-bonded Turntrans-85.8-1.5-179-67.8176.1000114.1L107 F145 F154 F157 L158 T313 R314 K315 I319L107-L317 HydrophobicContact CD1-CD2 3.81Å; L107-L317 HydrophobicContact CD2-CD2 3.62Å; L107-L317 HydrophobicContact CG-CD2 4.38Å; F145-L317 HydrophobicContact CE2-CD2 4.21Å; F145-L317 HydrophobicContact CZ-CD2 4.3Å; F154-L317 HydrophobicContact CB-CD2 4.16Å; F157-L317 HydrophobicContact CB-CD1 4.25Å; F157-L317 HydrophobicContact CD1-CD1 3.57Å; F157-L317 HydrophobicContact CE1-CD1 4.39Å; F157-L317 HydrophobicContact CG-CD1 4.26Å; L158-L317 HydrophobicContact CB-CD1 4.1Å; T313-L317 HydrophobicContact CG2-CD1 3.77Å; T313-L317 HydrophobicContact CG2-CG 4.4Å; T313-L317 WeakPolarHBondContact O-CB 3.29Å; T313-L317 WeakPolarHBondContact O-CG 3.41Å; T313-L317 PolarHBondContact O-N 3.3Å; R314-L317 PolarHBondContact O-N 3.21Å; K315-L317 VanDerWaalsContact C-N 3.28Å; K315-L317 PolarHBondContact O-N 3.18Å; L317-I319 VanDerWaalsContact C-N 3.27Å; L317-I319 HydrophobicContact CB-CD1 4.15Å; L317-I319 HydrophobicContact CB-CG1 3.94Å; L317-I319 HydrophobicContact CB-CG2 4.38Å; L317-I319 HydrophobicContact CD1-CD1 4.17Å; L317-I319 WeakPolarHBondContact O-CG2 3.48Å; L317-I319 PolarHBondContact O-N 2.6Å
318G95.1Very high82Confident54 Ų5464.5 Ų64.556%0.55735%0.346SS*.THydrogen-bonded Turntrans61.534.5-176.800000113.1R314 K315 L316R314-G318 PolarHBondContact O-N 2.92Å; K315-G318 PolarHBondContact O-N 3.07Å; L316-G318 VanDerWaalsContact C-N 3.33Å
319I94Very high81.2Confident2 Ų264.2 Ų64.21%0.0135%0.35CS..  trans-12019-179.365.8174.2000112.3F157 L158 E161 R314 L317 K321 L322F157-I319 HydrophobicContact CD1-CD1 4.19Å; F157-I319 HydrophobicContact CE1-CD1 3.93Å; L158-I319 HydrophobicContact CD1-CD1 4.17Å; L158-I319 HydrophobicContact CD1-CG2 3.76Å; E161-I319 HydrophobicContact CB-CD1 4.29Å; E161-I319 HydrophobicContact CG-CD1 4.01Å; R314-I319 HydrophobicContact CB-CG1 4.06Å; R314-I319 HydrophobicContact CG-CD1 4.39Å; R314-I319 HydrophobicContact CG-CG1 4.15Å; R314-I319 PolarHBondContact NH2-O 2.83Å; R314-I319 PolarHBondContact O-N 2.99Å; L317-I319 VanDerWaalsContact C-N 3.27Å; L317-I319 HydrophobicContact CB-CD1 4.15Å; L317-I319 HydrophobicContact CB-CG1 3.94Å; L317-I319 HydrophobicContact CB-CG2 4.38Å; L317-I319 HydrophobicContact CD1-CD1 4.17Å; L317-I319 WeakPolarHBondContact O-CG2 3.48Å; L317-I319 PolarHBondContact O-N 2.6Å; I319-K321 PolarHBondContact O-N 2.8Å; I319-L322 HydrophobicContact CB-CB 4.22Å; I319-L322 HydrophobicContact CB-CD1 3.54Å; I319-L322 HydrophobicContact CB-CG 4.45Å; I319-L322 HydrophobicContact CG2-CD1 3.45Å; I319-L322 VanDerWaalsContact CG2-CD1 3.45Å; I319-L322 WeakPolarHBondContact O-CB 3.29Å; I319-L322 PolarHBondContact O-N 3.14Å
320D83.4Confident80.2Confident95 Ų9567.6 Ų67.651%0.50837%0.369SS..THydrogen-bonded Turntrans-57-37.7174.354.7-48.4000112.2R314R314-D320 PolarHBondContact NH2-O 3.19Å
321K74.4Confident79.3Confident184 Ų18468.7 Ų68.780%0.838%0.38SS*.THydrogen-bonded Turntrans-85.2-5.8177.4-60.8-172.3-177.6-177.60115.3I319 V323I319-K321 PolarHBondContact O-N 2.8Å; K321-V323 PolarHBondContact O-N 3.01Å
322L72.2Confident78.3Confident73 Ų7367.9 Ų67.938%0.38238%0.376SS..  trans-66.6103.1174.1-105.2152.3000106.9L162 R314 I319 T324L162-L322 HydrophobicContact CD2-CD1 4.1Å; R314-L322 PolarHBondContact NH2-O 2.93Å; I319-L322 HydrophobicContact CB-CB 4.22Å; I319-L322 HydrophobicContact CB-CD1 3.54Å; I319-L322 HydrophobicContact CB-CG 4.45Å; I319-L322 HydrophobicContact CG2-CD1 3.45Å; I319-L322 VanDerWaalsContact CG2-CD1 3.45Å; I319-L322 WeakPolarHBondContact O-CB 3.29Å; I319-L322 PolarHBondContact O-N 3.14Å; L322-T324 PolarHBondContact O-N 3.12Å
323V58.8Low77Confident118 Ų11868.3 Ų68.372%0.71539%0.386SS*.  trans-56.8106.2169.8-179.30000105.4K321K321-V323 PolarHBondContact O-N 3.01Å
324T54.5Low75.5Confident10 Ų1073.2 Ų73.26%0.06141%0.414CS..  trans-74.6135.1172.564.30000104.7E161 L322 S326 D327E161-T324 WeakPolarHBondContact OE2-CG2 3.42Å; L322-T324 PolarHBondContact O-N 3.12Å; T324-S326 PolarHBondContact O-N 2.76Å; T324-S326 PolarHBondContact OG1-OG 3.33Å; T324-D327 PolarHBondContact N-OD2 3.25Å; T324-D327 VanDerWaalsContact N-OD2 3.1Å; T324-D327 PolarHBondContact O-N 3.06Å; T324-D327 VanDerWaalsContact OG1-CG 3.22Å; T324-D327 PolarHBondContact OG1-OD1 2.88Å; T324-D327 PolarHBondContact OG1-OD2 2.98Å
325A45.9Very low73.9Confident81 Ų8177.5 Ų77.567%0.66944%0.44SS*.THydrogen-bonded Turntrans-69.332.7-174.400000113.6K168K168-A325 PolarHBondContact NZ-O 2.77Å
326S45.4Very low72Confident52 Ų5271.6 Ų71.636%0.36442%0.423SS..THydrogen-bonded Turntrans-139.9-1.117943.90000110.9R223 T324R223-S326 WeakPolarHBondContact CG-OG 3.36Å; T324-S326 PolarHBondContact O-N 2.76Å; T324-S326 PolarHBondContact OG1-OG 3.33Å
327D46.8Very low69.8Low145 Ų14574.5 Ų74.578%0.77544%0.443SS*.  trans-87.80162.3-53.5-49.4000108.9R310 T324R310-D327 IonicContact NH2-OD1 3.65Å; T324-D327 PolarHBondContact N-OD2 3.25Å; T324-D327 VanDerWaalsContact N-OD2 3.1Å; T324-D327 PolarHBondContact O-N 3.06Å; T324-D327 VanDerWaalsContact OG1-CG 3.22Å; T324-D327 PolarHBondContact OG1-OD1 2.88Å; T324-D327 PolarHBondContact OG1-OD2 2.98Å

Retrieved 327 of 327 residues in 168.5 ms (Link to these results)

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