A0A077ZGP1_TRITR Loading...

Citrate synthase

AlphaFold DB , UniProt , Accession A0A077ZGP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 660 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low79.4Confident195 Ų19579.4 Ų79.496%0.96141%0.413SS*.  0124.60-75175-177.300106.8L3M1-L3 PolarHBondContact O-N 2.77Å
2S37.5Very low80.8Confident97 Ų9777.7 Ų77.768%0.67842%0.419SS*.  trans-66.8114175.71790000107.6H4S2-H4 PolarHBondContact O-N 2.63Å
3L55.5Low82.1Confident159 Ų15972.2 Ų72.283%0.83239%0.391SS*.  trans-51.9139.5163.3-75.9154.2000107.7M1 S5M1-L3 PolarHBondContact O-N 2.77Å; L3-S5 PolarHBondContact O-N 2.94Å; L3-S5 VanDerWaalsContact O-N 3.11Å
4H75.8Confident83Confident159 Ų15969.1 Ų69.174%0.73637%0.373SS*.  trans-62.1113.7177.9-179.962.4000108.5S2S2-H4 PolarHBondContact O-N 2.63Å
5S91.6Very high83.8Confident11 Ų1173.1 Ų73.18%0.07740%0.401CS..  trans-102.7117.5177.7163.50000109.6L3 G7 K8 A9 D150 D152L3-S5 PolarHBondContact O-N 2.94Å; L3-S5 VanDerWaalsContact O-N 3.11Å; S5-G7 PolarHBondContact O-N 3.31Å; S5-G7 PolarHBondContact OG-N 3.31Å; S5-K8 PolarHBondContact O-N 3.17Å; S5-K8 PolarHBondContact OG-N 3.38Å; S5-A9 PolarHBondContact O-N 3.11Å; S5-D150 WeakPolarHBondContact CB-OD2 3.26Å; S5-D150 VanDerWaalsContact OG-CG 3.31Å; S5-D150 PolarHBondContact OG-OD1 2.8Å; S5-D150 PolarHBondContact OG-OD2 2.72Å; S5-D152 WeakPolarHBondContact OG-CB 3.48Å
6P95.4Very high84.5Confident32 Ų3277.3 Ų77.321%0.20841%0.414CS..Hα-helixtrans-60.1-35.3170-24.235.5000112.3K8 A9 F10 A110P6-K8 VanDerWaalsContact C-N 3.34Å; P6-K8 PolarHBondContact O-N 2.95Å; P6-A9 WeakPolarHBondContact O-CB 3.31Å; P6-A9 PolarHBondContact O-N 3.48Å; P6-A9 VanDerWaalsContact O-N 3.16Å; P6-F10 PolarHBondContact O-N 3.32Å; P6-A110 VanDerWaalsContact C-CB 3.46Å; P6-A110 HydrophobicContact CB-CB 3.74Å; P6-A110 VanDerWaalsContact O-CB 3.27Å; P6-A110 WeakPolarHBondContact O-CB 3.29Å
7G96.6Very high85.1Confident0 Ų075.5 Ų75.50%040%0.403CS..Hα-helixtrans-61.1-41.4175.900000112.6S5 A9 F10 R11 A110 D152S5-G7 PolarHBondContact O-N 3.31Å; S5-G7 PolarHBondContact OG-N 3.31Å; G7-A9 VanDerWaalsContact C-N 3.33Å; G7-A9 PolarHBondContact O-N 3.12Å; G7-F10 WeakPolarHBondContact O-CB 3.35Å; G7-F10 PolarHBondContact O-N 3.48Å; G7-R11 PolarHBondContact O-N 3.19Å; G7-R11 VanDerWaalsContact O-N 3.13Å; G7-A110 WeakPolarHBondContact CA-O 3.3Å; G7-D152 CarbonylContact C-O 3.6Å; G7-D152 WeakPolarHBondContact CA-O 3.2Å
8K96Very high85.6Confident112 Ų11276.7 Ų76.749%0.48741%0.41SS..Hα-helixtrans-64.2-38.5174.3-171.4172.9-178.1172.20112.2S5 P6 F10 R11 A12 D152S5-K8 PolarHBondContact O-N 3.17Å; S5-K8 PolarHBondContact OG-N 3.38Å; P6-K8 VanDerWaalsContact C-N 3.34Å; P6-K8 PolarHBondContact O-N 2.95Å; K8-F10 VanDerWaalsContact C-N 3.34Å; K8-R11 PolarHBondContact O-N 3.42Å; K8-A12 PolarHBondContact O-N 3.28Å; K8-D152 HydrophobicContact CB-CB 4.05Å
9A96.1Very high86.2Confident34 Ų3473 Ų7328%0.28139%0.39SS..Hα-helixtrans-63.6-39.9175.100000111.8S5 P6 G7 A12 A13 P81S5-A9 PolarHBondContact O-N 3.11Å; P6-A9 WeakPolarHBondContact O-CB 3.31Å; P6-A9 PolarHBondContact O-N 3.48Å; P6-A9 VanDerWaalsContact O-N 3.16Å; G7-A9 VanDerWaalsContact C-N 3.33Å; G7-A9 PolarHBondContact O-N 3.12Å; A9-A12 PolarHBondContact O-N 3.36Å; A9-A13 PolarHBondContact O-N 2.99Å; A9-P81 HydrophobicContact CB-CB 4.36Å; A9-P81 HydrophobicContact CB-CG 4.45Å
10F97.7Very high86.9Confident0 Ų069.4 Ų69.40%037%0.371CS..Hα-helixtrans-61.2-44.2175.1-167.8-92000112.4P6 G7 K8 A12 A13 L14 L20 I22 A41 P81 L83 A110 V154 M184 M232P6-F10 PolarHBondContact O-N 3.32Å; G7-F10 WeakPolarHBondContact O-CB 3.35Å; G7-F10 PolarHBondContact O-N 3.48Å; K8-F10 VanDerWaalsContact C-N 3.34Å; F10-A12 VanDerWaalsContact C-N 3.33Å; F10-A12 PolarHBondContact O-N 3.31Å; F10-A13 WeakPolarHBondContact O-CB 3.42Å; F10-A13 PolarHBondContact O-N 3.1Å; F10-L14 PolarHBondContact O-N 3.45Å; F10-L20 HydrophobicContact CE2-CD2 4.28Å; F10-L20 HydrophobicContact CZ-CD2 4.19Å; F10-I22 HydrophobicContact CE2-CD1 3.98Å; F10-I22 HydrophobicContact CZ-CD1 3.73Å; F10-A41 HydrophobicContact CD2-CB 4.22Å; F10-A41 HydrophobicContact CE2-CB 4.03Å; F10-P81 HydrophobicContact CB-CB 3.77Å; F10-P81 HydrophobicContact CB-CG 4.17Å; F10-P81 HydrophobicContact CD2-CB 3.98Å; F10-P81 HydrophobicContact CD2-CG 4.13Å; F10-P81 HydrophobicContact CG-CB 4.39Å; F10-L83 HydrophobicContact CE2-CB 4.08Å; F10-L83 HydrophobicContact CZ-CD2 4.39Å; F10-A110 HydrophobicContact CB-CB 4.02Å; F10-V154 HydrophobicContact CD1-CG2 3.95Å; F10-M184 HydrophobicContact CD1-CE 4.07Å; F10-M184 HydrophobicContact CE1-CE 3.8Å; F10-M184 HydrophobicContact CE1-SD 3.82Å; F10-M232 HydrophobicContact CE1-SD 4.11Å; F10-M232 HydrophobicContact CZ-SD 4.02Å
11R96.6Very high87.4Confident74 Ų7469 Ų6928%0.27937%0.366SS..Hα-helixtrans-64.1-37.6176.3-65.8176-166.6-91.3-4.9112.6G7 K8 L14 T15 D152 E183G7-R11 PolarHBondContact O-N 3.19Å; G7-R11 VanDerWaalsContact O-N 3.13Å; K8-R11 PolarHBondContact O-N 3.42Å; R11-L14 PolarHBondContact O-N 3.03Å; R11-T15 PolarHBondContact O-N 3.34Å; R11-T15 VanDerWaalsContact O-N 3.14Å; R11-T15 PolarHBondContact O-OG1 3.45Å; R11-D152 PolarHBondContact NE-O 3.11Å; R11-D152 VanDerWaalsContact NE-O 3.1Å; R11-D152 PolarHBondContact NH2-O 2.95Å; R11-E183 IonicContact CZ-OE1 2.74Å; R11-E183 IonicContact NH1-OE1 2.57Å; R11-E183 IonicContact NH2-OE1 3.39Å; R11-E183 PolarHBondContact NH2-OE1 2.92Å; R11-E183 IonicContact NH2-OE2 2.64Å
12A96.3Very high90.5Very high59 Ų5959.7 Ų59.749%0.48832%0.321SS..Hα-helixtrans-64.6-41.2174.100000111.5K8 A9 F10 L14 T15 K16K8-A12 PolarHBondContact O-N 3.28Å; A9-A12 PolarHBondContact O-N 3.36Å; F10-A12 VanDerWaalsContact C-N 3.33Å; F10-A12 PolarHBondContact O-N 3.31Å; A12-L14 PolarHBondContact O-N 2.86Å; A12-T15 PolarHBondContact O-N 3.35Å; A12-K16 PolarHBondContact O-N 2.98Å
13A97.2Very high93.3Very high6 Ų655.9 Ų55.95%0.0529%0.293CS..Hα-helixtrans-60.6-43.6174.900000111.8A9 F10 T15 K16 E17 L20 Q40A9-A13 PolarHBondContact O-N 2.99Å; F10-A13 WeakPolarHBondContact O-CB 3.42Å; F10-A13 PolarHBondContact O-N 3.1Å; A13-T15 PolarHBondContact O-N 3.37Å; A13-K16 PolarHBondContact O-N 3.44Å; A13-E17 PolarHBondContact O-N 3.3Å; A13-L20 HydrophobicContact CB-CD1 3.96Å; A13-L20 HydrophobicContact CB-CD2 4.1Å; A13-Q40 HydrophobicContact CB-CB 3.89Å
14L95.9Very high95.4Very high29 Ų2948.9 Ų48.915%0.15226%0.26CS..Hα-helixtrans-63-30176.8-169.568.4000113.3F10 R11 A12 L20 M184 P206 A231 M232F10-L14 PolarHBondContact O-N 3.45Å; R11-L14 PolarHBondContact O-N 3.03Å; A12-L14 PolarHBondContact O-N 2.86Å; L14-L20 HydrophobicContact CB-CD2 4.36Å; L14-L20 HydrophobicContact CD1-CB 3.92Å; L14-L20 HydrophobicContact CD1-CD2 4.29Å; L14-M184 HydrophobicContact CD2-CE 3.86Å; L14-P206 HydrophobicContact CD2-CB 4Å; L14-P206 HydrophobicContact CD2-CG 3.78Å; L14-A231 HydrophobicContact CD1-CB 4.26Å; L14-A231 WeakPolarHBondContact CD1-O 3.38Å; L14-M232 HydrophobicContact CD1-CG 3.59Å; L14-M232 HydrophobicContact CD1-SD 4.18Å
15T94.8Very high96.3Very high129 Ų12941.5 Ų41.579%0.79123%0.226SC*.Hα-helixtrans-76.7-30.9175.2-52.10000111.4R11 A12 A13R11-T15 PolarHBondContact O-N 3.34Å; R11-T15 VanDerWaalsContact O-N 3.14Å; R11-T15 PolarHBondContact O-OG1 3.45Å; A12-T15 PolarHBondContact O-N 3.35Å; A13-T15 PolarHBondContact O-N 3.37Å
16K94.5Very high96.2Very high140 Ų14041.7 Ų41.761%0.60923%0.226SC*.Hα-helixtrans-79.3-36.3-177.6-175.3179.5172.3-174.30112.6A12 A13 Q40A12-K16 PolarHBondContact O-N 2.98Å; A13-K16 PolarHBondContact O-N 3.44Å; K16-Q40 HydrophobicContact CD-CG 4.41Å
17E95.3Very high96.1Very high48 Ų4843.1 Ų43.122%0.22423%0.232CC..SBendtrans-127.1129.5-178.9-65.6-174-18000111A13 L20 Q40A13-E17 PolarHBondContact O-N 3.3Å; E17-L20 HydrophobicContact CB-CB 4.44Å; E17-L20 HydrophobicContact CB-CD1 4.11Å; E17-L20 PolarHBondContact O-N 3.39Å; E17-Q40 HydrophobicContact CG-CG 4.23Å; E17-Q40 WeakPolarHBondContact OE1-CG 3.4Å
18N93.9Very high96.1Very high97 Ų9744.2 Ų44.252%0.51924%0.241SC..SBendtrans-142.5103.2178.6-170.65.7000110.8R226N18-R226 PolarHBondContact O-NE 3.2Å
19P97.7Very high96Very high6 Ų640.9 Ų40.94%0.03923%0.229CC..SBendcis-71.6140.34-15.730.3000112.6Q21 T222 L225 R226 A231 A233P19-Q21 PolarHBondContact O-N 3.24Å; P19-T222 WeakPolarHBondContact CG-O 3.42Å; P19-L225 HydrophobicContact CG-CB 4.19Å; P19-R226 HydrophobicContact CG-CB 4.29Å; P19-A231 CarbonylContact C-O 3.59Å; P19-A231 VanDerWaalsContact CA-O 3.26Å; P19-A231 WeakPolarHBondContact CA-O 3.49Å; P19-A233 HydrophobicContact CB-CB 4.38Å
20L98.5Very high96Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-68.5121.5168.2172.764000108.8F10 A13 L14 E17 I22 Q40 A41 A231 M232 A233F10-L20 HydrophobicContact CE2-CD2 4.28Å; F10-L20 HydrophobicContact CZ-CD2 4.19Å; A13-L20 HydrophobicContact CB-CD1 3.96Å; A13-L20 HydrophobicContact CB-CD2 4.1Å; L14-L20 HydrophobicContact CB-CD2 4.36Å; L14-L20 HydrophobicContact CD1-CB 3.92Å; L14-L20 HydrophobicContact CD1-CD2 4.29Å; E17-L20 HydrophobicContact CB-CB 4.44Å; E17-L20 HydrophobicContact CB-CD1 4.11Å; E17-L20 PolarHBondContact O-N 3.39Å; L20-I22 HydrophobicContact CD2-CD1 4.33Å; L20-I22 HydrophobicContact CD2-CG1 4.18Å; L20-I22 HydrophobicContact CG-CG1 3.99Å; L20-Q40 HydrophobicContact CD1-CB 3.99Å; L20-A41 HydrophobicContact CD1-CB 4.19Å; L20-A41 HydrophobicContact CD2-CB 3.95Å; L20-A41 HydrophobicContact CG-CB 4.3Å; L20-A231 PolarHBondContact N-O 3.48Å; L20-M232 HydrophobicContact CB-CG 4.18Å; L20-M232 CarbonylContact O-C 3.53Å; L20-M232 WeakPolarHBondContact O-CA 3.41Å; L20-A233 PolarHBondContact O-N 2.88Å
21Q98.4Very high96Very high61 Ų6141 Ų4129%0.28522%0.223SC..EExtended strand (participates in β ladder)trans-85.1118.8176.3-65.1-179.284.600109.6P19 Y39 T222 A233 Y235P19-Q21 PolarHBondContact O-N 3.24Å; Q21-Y39 HydrophobicContact CB-CD1 4.12Å; Q21-Y39 HydrophobicContact CB-CE1 3.98Å; Q21-T222 HydrophobicContact CG-CG2 3.88Å; Q21-A233 WeakPolarHBondContact CA-O 3.24Å; Q21-Y235 HydrophobicContact CB-CE2 4.11Å; Q21-Y235 HydrophobicContact CG-CE2 4.07Å
22I98.5Very high95.9Very high0 Ų038.9 Ų38.90%022%0.217CC..EExtended strand (participates in β ladder)trans-113.5114-178.9-45.8178000107.7F10 L20 A41 L83 L208 M232 A233 L234 Y235F10-I22 HydrophobicContact CE2-CD1 3.98Å; F10-I22 HydrophobicContact CZ-CD1 3.73Å; L20-I22 HydrophobicContact CD2-CD1 4.33Å; L20-I22 HydrophobicContact CD2-CG1 4.18Å; L20-I22 HydrophobicContact CG-CG1 3.99Å; I22-A41 HydrophobicContact CG1-CB 4.22Å; I22-A41 HydrophobicContact CG2-CB 4.27Å; I22-L83 HydrophobicContact CD1-CD2 4.03Å; I22-L208 HydrophobicContact CD1-CD1 4.12Å; I22-M232 HydrophobicContact CD1-CB 4.09Å; I22-M232 HydrophobicContact CD1-CG 4.05Å; I22-M232 HydrophobicContact CD1-SD 4.05Å; I22-A233 PolarHBondContact N-O 2.73Å; I22-L234 HydrophobicContact CB-CD1 4.22Å; I22-L234 HydrophobicContact CG2-CD1 4.3Å; I22-L234 WeakPolarHBondContact O-CA 3.34Å; I22-L234 WeakPolarHBondContact O-CD1 3.35Å; I22-Y235 PolarHBondContact O-N 2.81Å
23V98Very high95.9Very high17 Ų1738.9 Ų38.910%0.10321%0.209CC..EExtended strand (participates in β ladder)trans-101.2138.8-177.4-70.50000112.5A34 Y39 I42 Y43 Y235V23-A34 HydrophobicContact CG2-CB 3.68Å; V23-Y39 HydrophobicContact CB-CD1 4.5Å; V23-Y39 HydrophobicContact CB-CE1 4.43Å; V23-Y39 HydrophobicContact CG1-CD1 3.74Å; V23-Y39 HydrophobicContact CG1-CD2 4.2Å; V23-Y39 HydrophobicContact CG1-CE1 3.29Å; V23-Y39 HydrophobicContact CG1-CE2 3.79Å; V23-Y39 HydrophobicContact CG1-CG 4.18Å; V23-Y39 HydrophobicContact CG2-CD1 4Å; V23-Y39 HydrophobicContact CG2-CD2 3.67Å; V23-Y39 HydrophobicContact CG2-CE1 4.33Å; V23-Y39 HydrophobicContact CG2-CE2 4.03Å; V23-Y39 HydrophobicContact CG2-CG 3.66Å; V23-I42 HydrophobicContact CG2-CG2 4.18Å; V23-I42 CarbonylContact O-C 3.37Å; V23-I42 WeakPolarHBondContact O-CA 3.46Å; V23-Y43 PolarHBondContact O-N 2.79Å; V23-Y235 HydrophobicContact CG1-CD2 4.11Å
24G97.7Very high95.9Very high13 Ų1339 Ų3913%0.13421%0.21CC..EExtended strand (participates in β ladder)trans-68.6129.3175.300000112.6Y43 Y235 P236G24-Y43 CarbonylContact C-O 3.58Å; G24-Y43 WeakPolarHBondContact CA-O 3.35Å; G24-Y235 PolarHBondContact N-O 2.87Å; G24-P236 WeakPolarHBondContact CA-O 3.43Å
25T96.3Very high95.9Very high4 Ų441 Ų413%0.02522%0.218CC..  trans-122.4110.4178.657.80000109.5N27 A31 A34 I42 Y43T25-N27 VanDerWaalsContact C-N 3.32Å; T25-N27 PolarHBondContact O-N 2.79Å; T25-A31 HydrophobicContact CG2-CB 4.14Å; T25-A34 HydrophobicContact CG2-CB 4.06Å; T25-I42 HydrophobicContact CG2-CB 3.9Å; T25-I42 HydrophobicContact CG2-CG2 3.8Å; T25-Y43 PolarHBondContact N-O 3Å; T25-Y43 PolarHBondContact OG1-O 3.33Å
26I89Confident95.8Very high14 Ų1441.7 Ų41.77%0.07221%0.206CC..SBendtrans-71.2-27.6-176.6-172.459.1000113.2H30 G48 F240 M243I26-H30 HydrophobicContact CG2-CB 4.47Å; I26-G48 VanDerWaalsContact CD1-C 3.49Å; I26-G48 WeakPolarHBondContact CD1-O 3.41Å; I26-F240 HydrophobicContact CB-CD2 4.19Å; I26-F240 HydrophobicContact CD1-CD2 4.14Å; I26-F240 HydrophobicContact CD1-CE2 4.26Å; I26-F240 HydrophobicContact CG1-CD2 3.86Å; I26-F240 HydrophobicContact CG1-CE2 4.2Å; I26-M243 HydrophobicContact CG2-CE 4.06Å
27N94Very high95.8Very high62 Ų6238.6 Ų38.633%0.33221%0.207SC..SBendtrans-152.9174.717964.441.4000111.4T25 N29 H30 A31T25-N27 VanDerWaalsContact C-N 3.32Å; T25-N27 PolarHBondContact O-N 2.79Å; N27-N29 VanDerWaalsContact C-N 3.33Å; N27-N29 PolarHBondContact O-N 2.83Å; N27-N29 PolarHBondContact OD1-N 3.43Å; N27-N29 VanDerWaalsContact OD1-N 3.14Å; N27-H30 VanDerWaalsContact CG-ND1 3.33Å; N27-H30 PolarHBondContact ND2-ND1 3.18Å; N27-H30 PolarHBondContact O-N 2.98Å; N27-H30 VanDerWaalsContact O-N 3.09Å; N27-H30 PolarHBondContact OD1-N 3.46Å; N27-H30 VanDerWaalsContact OD1-N 3.14Å; N27-H30 PolarHBondContact OD1-ND1 3.28Å; N27-A31 PolarHBondContact O-N 3.43Å; N27-A31 VanDerWaalsContact O-N 3.15Å
28A95.4Very high95.9Very high24 Ų2438.1 Ų38.120%0.19822%0.215CC..Hα-helixtrans-52-43-179.100000114.2H30 A31 L32 R73 V77A28-H30 PolarHBondContact O-N 2.57Å; A28-A31 WeakPolarHBondContact O-CB 3.04Å; A28-A31 PolarHBondContact O-N 2.96Å; A28-L32 PolarHBondContact O-N 2.74Å; A28-R73 HydrophobicContact CB-CB 4.37Å; A28-R73 VanDerWaalsContact CB-O 3.23Å; A28-R73 WeakPolarHBondContact CB-O 3.46Å; A28-V77 HydrophobicContact CB-CG2 3.74Å
29N95.1Very high96.1Very high41 Ų4137 Ų3722%0.21920%0.204CC..Hα-helixtrans-66.9-37.4179.8-172.951.6000111.9N27 A31 L32 L33 S276 I277N27-N29 VanDerWaalsContact C-N 3.33Å; N27-N29 PolarHBondContact O-N 2.83Å; N27-N29 PolarHBondContact OD1-N 3.43Å; N27-N29 VanDerWaalsContact OD1-N 3.14Å; N29-A31 VanDerWaalsContact C-N 3.29Å; N29-A31 PolarHBondContact O-N 3.43Å; N29-L32 WeakPolarHBondContact O-CB 3.41Å; N29-L32 PolarHBondContact O-N 2.82Å; N29-L33 WeakPolarHBondContact O-CG 3.4Å; N29-L33 PolarHBondContact O-N 2.93Å; N29-S276 PolarHBondContact OD1-OG 3.25Å; N29-I277 WeakPolarHBondContact OD1-CG2 3.48Å
30H95.3Very high96.1Very high36 Ų3639 Ų3917%0.16721%0.213CC..Hα-helixtrans-68-31.5176-70.178.3000112.1I26 N27 A28 L32 L33 A34 M243I26-H30 HydrophobicContact CG2-CB 4.47Å; N27-H30 VanDerWaalsContact CG-ND1 3.33Å; N27-H30 PolarHBondContact ND2-ND1 3.18Å; N27-H30 PolarHBondContact O-N 2.98Å; N27-H30 VanDerWaalsContact O-N 3.09Å; N27-H30 PolarHBondContact OD1-N 3.46Å; N27-H30 VanDerWaalsContact OD1-N 3.14Å; N27-H30 PolarHBondContact OD1-ND1 3.28Å; A28-H30 PolarHBondContact O-N 2.57Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L33 PolarHBondContact O-N 3.33Å; H30-A34 WeakPolarHBondContact O-CB 3.31Å; H30-A34 PolarHBondContact O-N 2.97Å; H30-M243 PolarHBondContact CE1-SD 3.39Å; H30-M243 PolarHBondContact NE2-SD 3.14Å
31A97.4Very high96Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-63.3-40.4171.500000112T25 N27 A28 N29 A34 Q35 I42 I74 C78T25-A31 HydrophobicContact CG2-CB 4.14Å; N27-A31 PolarHBondContact O-N 3.43Å; N27-A31 VanDerWaalsContact O-N 3.15Å; A28-A31 WeakPolarHBondContact O-CB 3.04Å; A28-A31 PolarHBondContact O-N 2.96Å; N29-A31 VanDerWaalsContact C-N 3.29Å; N29-A31 PolarHBondContact O-N 3.43Å; A31-A34 PolarHBondContact O-N 3.29Å; A31-Q35 WeakPolarHBondContact O-CB 3.43Å; A31-Q35 PolarHBondContact O-N 3.44Å; A31-I42 HydrophobicContact CB-CD1 3.79Å; A31-I74 HydrophobicContact CB-CG1 4.49Å; A31-I74 HydrophobicContact CB-CG2 3.73Å; A31-C78 HydrophobicContact CB-CB 3.74Å
32L95.7Very high96.1Very high30 Ų3036 Ų3616%0.15720%0.199CC..Hα-helixtrans-64.8-40.2173.7-64.6174.2000112.3A28 N29 H30 Q35 R36 V77 S276 I277A28-L32 PolarHBondContact O-N 2.74Å; N29-L32 WeakPolarHBondContact O-CB 3.41Å; N29-L32 PolarHBondContact O-N 2.82Å; H30-L32 VanDerWaalsContact C-N 3.34Å; L32-Q35 PolarHBondContact O-N 3.5Å; L32-R36 WeakPolarHBondContact O-CB 3.45Å; L32-R36 PolarHBondContact O-N 3.45Å; L32-V77 HydrophobicContact CD1-CB 4.49Å; L32-V77 HydrophobicContact CD1-CG2 4.22Å; L32-V77 HydrophobicContact CD2-CB 4.34Å; L32-V77 HydrophobicContact CD2-CG2 4.19Å; L32-V77 VanDerWaalsContact CD2-O 3.27Å; L32-V77 WeakPolarHBondContact CD2-O 3.44Å; L32-V77 HydrophobicContact CG-CG2 4.05Å; L32-S276 WeakPolarHBondContact CD1-O 3.3Å; L32-I277 HydrophobicContact CD1-CG2 4.29Å
33L95.9Very high96.1Very high60 Ų6036.3 Ų36.331%0.31420%0.201SC..Hα-helixtrans-64.1-42.6175.2-66.8175.2000111.8N29 H30 R36 A37N29-L33 WeakPolarHBondContact O-CG 3.4Å; N29-L33 PolarHBondContact O-N 2.93Å; H30-L33 PolarHBondContact O-N 3.33Å; L33-R36 PolarHBondContact O-N 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.41Å; L33-A37 PolarHBondContact O-N 2.99Å
34A97.3Very high96.1Very high9 Ų935.6 Ų35.67%0.07420%0.196CC..Hα-helixtrans-61.3-44.1174.200000111.7V23 T25 H30 A31 R36 A37 G38 Y39 I42V23-A34 HydrophobicContact CG2-CB 3.68Å; T25-A34 HydrophobicContact CG2-CB 4.06Å; H30-A34 WeakPolarHBondContact O-CB 3.31Å; H30-A34 PolarHBondContact O-N 2.97Å; A31-A34 PolarHBondContact O-N 3.29Å; A34-R36 PolarHBondContact O-N 3.36Å; A34-A37 PolarHBondContact O-N 3.46Å; A34-G38 PolarHBondContact O-N 3.41Å; A34-Y39 HydrophobicContact CB-CD2 4.18Å; A34-Y39 WeakPolarHBondContact O-CD2 3.43Å; A34-Y39 PolarHBondContact O-N 2.85Å; A34-I42 HydrophobicContact CB-CG2 3.85Å
35Q95.2Very high95.9Very high69 Ų6935.7 Ų35.732%0.32219%0.194SC..Hα-helixtrans-61.2-43.4175.7-169-179-86.500111.9A31 L32 A37 G38 C78 S79 L80A31-Q35 WeakPolarHBondContact O-CB 3.43Å; A31-Q35 PolarHBondContact O-N 3.44Å; L32-Q35 PolarHBondContact O-N 3.5Å; Q35-A37 VanDerWaalsContact C-N 3.29Å; Q35-A37 PolarHBondContact O-N 2.95Å; Q35-G38 PolarHBondContact O-N 3.41Å; Q35-G38 VanDerWaalsContact O-N 3.08Å; Q35-C78 PolarHBondContact OE1-SG 3.31Å; Q35-S79 VanDerWaalsContact OE1-N 3.12Å; Q35-S79 PolarHBondContact OE1-OG 2.9Å; Q35-L80 HydrophobicContact CB-CD1 3.86Å; Q35-L80 HydrophobicContact CB-CG 4.2Å; Q35-L80 HydrophobicContact CG-CD1 4.12Å; Q35-L80 HydrophobicContact CG-CD2 4.35Å; Q35-L80 HydrophobicContact CG-CG 3.99Å
36R92.8Very high95.7Very high144 Ų14435.5 Ų35.554%0.54319%0.194SC..Hα-helixtrans-64-33.9176.5-174.3176.5178.4170.44.1112.4L32 L33 A34 G38 E275L32-R36 WeakPolarHBondContact O-CB 3.45Å; L32-R36 PolarHBondContact O-N 3.45Å; L33-R36 PolarHBondContact O-N 3.3Å; A34-R36 PolarHBondContact O-N 3.36Å; R36-G38 PolarHBondContact O-N 2.94Å; R36-E275 IonicContact CZ-OE2 2.73Å; R36-E275 IonicContact NH1-OE2 3.5Å; R36-E275 PolarHBondContact NH1-OE2 3.05Å; R36-E275 VanDerWaalsContact NH1-OE2 3.15Å; R36-E275 IonicContact NH2-OE2 3.33Å; R36-E275 PolarHBondContact NH2-OE2 3.16Å
37A95.3Very high95.7Very high75 Ų7535.4 Ų35.462%0.6220%0.196SC*.Hα-helixtrans-72.2-11.3175.400000113.5L33 A34 Q35 Y39L33-A37 WeakPolarHBondContact O-CB 3.41Å; L33-A37 PolarHBondContact O-N 2.99Å; A34-A37 PolarHBondContact O-N 3.46Å; Q35-A37 VanDerWaalsContact C-N 3.29Å; Q35-A37 PolarHBondContact O-N 2.95Å; A37-Y39 HydrophobicContact CB-CD2 4.04Å; A37-Y39 HydrophobicContact CB-CE2 4.05Å
38G96Very high95.6Very high39 Ų3932.6 Ų32.640%0.40218%0.182SC..THydrogen-bonded Turntrans98.56.817400000115.5A34 Q35 R36 Q40A34-G38 PolarHBondContact O-N 3.41Å; Q35-G38 PolarHBondContact O-N 3.41Å; Q35-G38 VanDerWaalsContact O-N 3.08Å; R36-G38 PolarHBondContact O-N 2.94Å; G38-Q40 PolarHBondContact O-NE2 2.93Å
39Y97.7Very high95.6Very high72 Ų7231.5 Ų31.528%0.28217%0.173SC..  trans-59.9149174.9-71.8-77.5000111.7Q21 V23 A34 A37 L80Q21-Y39 HydrophobicContact CB-CD1 4.12Å; Q21-Y39 HydrophobicContact CB-CE1 3.98Å; V23-Y39 HydrophobicContact CB-CD1 4.5Å; V23-Y39 HydrophobicContact CB-CE1 4.43Å; V23-Y39 HydrophobicContact CG1-CD1 3.74Å; V23-Y39 HydrophobicContact CG1-CD2 4.2Å; V23-Y39 HydrophobicContact CG1-CE1 3.29Å; V23-Y39 HydrophobicContact CG1-CE2 3.79Å; V23-Y39 HydrophobicContact CG1-CG 4.18Å; V23-Y39 HydrophobicContact CG2-CD1 4Å; V23-Y39 HydrophobicContact CG2-CD2 3.67Å; V23-Y39 HydrophobicContact CG2-CE1 4.33Å; V23-Y39 HydrophobicContact CG2-CE2 4.03Å; V23-Y39 HydrophobicContact CG2-CG 3.66Å; A34-Y39 HydrophobicContact CB-CD2 4.18Å; A34-Y39 WeakPolarHBondContact O-CD2 3.43Å; A34-Y39 PolarHBondContact O-N 2.85Å; A37-Y39 HydrophobicContact CB-CD2 4.04Å; A37-Y39 HydrophobicContact CB-CE2 4.05Å; Y39-L80 WeakPolarHBondContact O-CD1 3.37Å; Y39-L80 WeakPolarHBondContact O-CD2 3.48Å
40Q97.7Very high95.5Very high48 Ų4829.6 Ų29.622%0.22416%0.162CC..SBendtrans-103-9.8-179-56.8-61.9-68.100113.2A13 K16 E17 L20 G38 P81A13-Q40 HydrophobicContact CB-CB 3.89Å; K16-Q40 HydrophobicContact CD-CG 4.41Å; E17-Q40 HydrophobicContact CG-CG 4.23Å; E17-Q40 WeakPolarHBondContact OE1-CG 3.4Å; L20-Q40 HydrophobicContact CD1-CB 3.99Å; G38-Q40 PolarHBondContact O-NE2 2.93Å; Q40-P81 VanDerWaalsContact O-CD 3.25Å; Q40-P81 WeakPolarHBondContact O-CD 3.5Å; Q40-P81 WeakPolarHBondContact O-CG 3.28Å
41A98.4Very high95.4Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-152.6154.1175.900000110.7F10 L20 I22 P81F10-A41 HydrophobicContact CD2-CB 4.22Å; F10-A41 HydrophobicContact CE2-CB 4.03Å; L20-A41 HydrophobicContact CD1-CB 4.19Å; L20-A41 HydrophobicContact CD2-CB 3.95Å; L20-A41 HydrophobicContact CG-CB 4.3Å; I22-A41 HydrophobicContact CG1-CB 4.22Å; I22-A41 HydrophobicContact CG2-CB 4.27Å; A41-P81 HydrophobicContact CB-CG 4.17Å
42I98.6Very high95.2Very high0 Ų031.9 Ų31.90%019%0.191CC..EExtended strand (participates in β ladder)trans-131.8162.8-178.754.1170.9000110.9V23 T25 A31 A34 I74 C78 L80 P81 L82 L83V23-I42 HydrophobicContact CG2-CG2 4.18Å; V23-I42 CarbonylContact O-C 3.37Å; V23-I42 WeakPolarHBondContact O-CA 3.46Å; T25-I42 HydrophobicContact CG2-CB 3.9Å; T25-I42 HydrophobicContact CG2-CG2 3.8Å; A31-I42 HydrophobicContact CB-CD1 3.79Å; A34-I42 HydrophobicContact CB-CG2 3.85Å; I42-I74 HydrophobicContact CD1-CG2 3.56Å; I42-C78 HydrophobicContact CD1-CB 4.41Å; I42-L80 HydrophobicContact CD1-CB 4.36Å; I42-L80 HydrophobicContact CG1-CB 4.14Å; I42-L80 HydrophobicContact CG2-CB 4.43Å; I42-L80 HydrophobicContact CG2-CD1 3.85Å; I42-P81 PolarHBondContact N-O 3.12Å; I42-P81 VanDerWaalsContact N-O 3.09Å; I42-L82 HydrophobicContact CB-CD1 4.39Å; I42-L82 HydrophobicContact CD1-CD1 3.93Å; I42-L82 HydrophobicContact CG1-CB 4.3Å; I42-L82 HydrophobicContact CG1-CD1 3.72Å; I42-L82 WeakPolarHBondContact O-CA 3.38Å; I42-L83 PolarHBondContact O-N 3.18Å
43Y98.5Very high95.1Very high6 Ų632.8 Ų32.82%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-131139.2-174.5176.6-110.5000112.9V23 G24 T25 S45 L83 D85 H113 L234 P236V23-Y43 PolarHBondContact O-N 2.79Å; G24-Y43 CarbonylContact C-O 3.58Å; G24-Y43 WeakPolarHBondContact CA-O 3.35Å; T25-Y43 PolarHBondContact N-O 3Å; T25-Y43 PolarHBondContact OG1-O 3.33Å; Y43-S45 VanDerWaalsContact CE1-CB 3.47Å; Y43-L83 CarbonylContact C-O 3.21Å; Y43-L83 VanDerWaalsContact CA-O 3.29Å; Y43-L83 WeakPolarHBondContact CA-O 3.48Å; Y43-L83 HydrophobicContact CD2-CB 4.17Å; Y43-L83 HydrophobicContact CD2-CD2 4.27Å; Y43-L83 HydrophobicContact CD2-CG 4.08Å; Y43-L83 WeakPolarHBondContact CD2-O 3.3Å; Y43-L83 HydrophobicContact CE2-CG 4.48Å; Y43-D85 HydrophobicContact CE2-CB 4.43Å; Y43-D85 WeakPolarHBondContact OH-CB 3.06Å; Y43-D85 PolarHBondContact OH-OD2 2.64Å; Y43-H113 AromaticContact CE2-CD2 3.89Å; Y43-H113 AromaticContact CE2-NE2 3.62Å; Y43-H113 AromaticContact CZ-NE2 3.7Å; Y43-H113 PolarHBondContact OH-NE2 3.35Å; Y43-L234 HydrophobicContact CD1-CD1 3.56Å; Y43-L234 HydrophobicContact CD1-CD2 4.38Å; Y43-L234 HydrophobicContact CD1-CG 4.47Å; Y43-L234 HydrophobicContact CD2-CD1 4.01Å; Y43-L234 HydrophobicContact CE1-CD1 4.09Å; Y43-L234 HydrophobicContact CE1-CD2 4.06Å; Y43-L234 HydrophobicContact CE2-CD2 4.41Å; Y43-L234 HydrophobicContact CG-CD1 3.48Å; Y43-L234 VanDerWaalsContact CG-CD1 3.48Å; Y43-P236 HydrophobicContact CD1-CB 3.96Å; Y43-P236 HydrophobicContact CE1-CB 3.72Å
44L97.9Very high95Very high2 Ų232.9 Ų32.91%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-107.9110.3168.2-174.464000109.7V49 V67 D70 I71 I74 L82 L83 V84 D85L44-V49 HydrophobicContact CD1-CG2 3.73Å; L44-V49 HydrophobicContact CD2-CG2 4.24Å; L44-V49 HydrophobicContact CG-CG2 3.91Å; L44-V67 HydrophobicContact CD2-CG1 3.94Å; L44-D70 HydrophobicContact CD1-CB 4.12Å; L44-D70 HydrophobicContact CD2-CB 4.01Å; L44-I71 HydrophobicContact CD2-CG1 3.63Å; L44-I74 HydrophobicContact CD1-CD1 3.98Å; L44-L82 HydrophobicContact CB-CD1 4.09Å; L44-L82 HydrophobicContact CB-CD2 4.41Å; L44-L82 HydrophobicContact CB-CG 4.49Å; L44-L83 PolarHBondContact N-O 2.87Å; L44-V84 HydrophobicContact CB-CG1 4.38Å; L44-V84 HydrophobicContact CB-CG2 4.36Å; L44-V84 HydrophobicContact CD2-CG1 4.32Å; L44-D85 PolarHBondContact O-N 3.46Å
45S95Very high94.9Very high14 Ų1435.5 Ų35.510%0.09823%0.228CC..  trans-81.6136.9-178.9176.60000112.1Y43 G47 G48 V49Y43-S45 VanDerWaalsContact CE1-CB 3.47Å; S45-G47 PolarHBondContact OG-N 3.3Å; S45-G48 CarbonylContact O-C 3.55Å; S45-G48 WeakPolarHBondContact O-CA 3.28Å; S45-G48 PolarHBondContact O-N 3.09Å; S45-G48 VanDerWaalsContact O-N 3.14Å; S45-G48 PolarHBondContact OG-N 3.29Å; S45-V49 WeakPolarHBondContact O-CG2 3.4Å; S45-V49 PolarHBondContact O-N 3.28Å
46G91.6Very high94.7Very high1 Ų135.6 Ų35.61%0.0123%0.23CC..Hα-helixtrans-62-46.4171.500000111.4G48 V49 A50 D85G46-G48 VanDerWaalsContact C-N 3.28Å; G46-G48 PolarHBondContact O-N 3.36Å; G46-V49 PolarHBondContact O-N 3.43Å; G46-A50 WeakPolarHBondContact O-CB 3.34Å; G46-A50 PolarHBondContact O-N 3.07Å; G46-D85 VanDerWaalsContact N-CB 3.27Å; G46-D85 PolarHBondContact N-OD2 2.98Å
47G89.5Confident94.4Very high12 Ų1232.2 Ų32.212%0.12423%0.227CC..Hα-helixtrans-63.6-31.7171.900000113.6S45 A51S45-G47 PolarHBondContact OG-N 3.3Å; G47-A51 VanDerWaalsContact O-CB 3.25Å; G47-A51 WeakPolarHBondContact O-CB 3.37Å; G47-A51 PolarHBondContact O-N 3.02Å
48G92.1Very high93.9Very high3 Ų330.4 Ų30.43%0.03121%0.207CC..Hα-helixtrans-63.3-49.8171.400000112.2I26 S45 G46 G52I26-G48 VanDerWaalsContact CD1-C 3.49Å; I26-G48 WeakPolarHBondContact CD1-O 3.41Å; S45-G48 CarbonylContact O-C 3.55Å; S45-G48 WeakPolarHBondContact O-CA 3.28Å; S45-G48 PolarHBondContact O-N 3.09Å; S45-G48 VanDerWaalsContact O-N 3.14Å; S45-G48 PolarHBondContact OG-N 3.29Å; G46-G48 VanDerWaalsContact C-N 3.28Å; G46-G48 PolarHBondContact O-N 3.36Å; G48-G52 WeakPolarHBondContact O-CA 3.36Å; G48-G52 PolarHBondContact O-N 3.06Å
49V94.7Very high93.2Very high0 Ų033.3 Ų33.30%021%0.213CC..Iπ-helixtrans-61.3-49.3176.51740000110.6L44 S45 G46 A51 S53 L54 D66 V67L44-V49 HydrophobicContact CD1-CG2 3.73Å; L44-V49 HydrophobicContact CD2-CG2 4.24Å; L44-V49 HydrophobicContact CG-CG2 3.91Å; S45-V49 WeakPolarHBondContact O-CG2 3.4Å; S45-V49 PolarHBondContact O-N 3.28Å; G46-V49 PolarHBondContact O-N 3.43Å; V49-A51 PolarHBondContact O-N 2.98Å; V49-S53 WeakPolarHBondContact O-CA 3.42Å; V49-S53 VanDerWaalsContact O-CB 3.23Å; V49-S53 WeakPolarHBondContact O-CB 3.41Å; V49-S53 PolarHBondContact O-N 2.87Å; V49-L54 PolarHBondContact O-N 3.12Å; V49-D66 HydrophobicContact CG1-CB 4.3Å; V49-V67 HydrophobicContact CG1-CG2 4.28Å; V49-V67 HydrophobicContact CG2-CG2 4.45Å
50A93.2Very high92.3Very high1 Ų131.6 Ų31.61%0.00822%0.217CC..Iπ-helixtrans-58.3-53.5179.900000111.8G46 L54 G55 L56 D58G46-A50 WeakPolarHBondContact O-CB 3.34Å; G46-A50 PolarHBondContact O-N 3.07Å; A50-L54 CarbonylContact O-C 3.58Å; A50-L54 WeakPolarHBondContact O-CB 3.13Å; A50-L54 PolarHBondContact O-N 3.48Å; A50-G55 PolarHBondContact O-N 2.99Å; A50-L56 CarbonylContact C-O 3.58Å; A50-L56 PolarHBondContact O-N 3.41Å; A50-L56 VanDerWaalsContact O-O 3.14Å; A50-D58 HydrophobicContact CB-CB 4.31Å
51A93.4Very high91.6Very high48 Ų4833.5 Ų33.540%0.39723%0.228SC..Iπ-helixtrans-78-43.1-174.800000113.1G47 V49 G55 L56 F240G47-A51 VanDerWaalsContact O-CB 3.25Å; G47-A51 WeakPolarHBondContact O-CB 3.37Å; G47-A51 PolarHBondContact O-N 3.02Å; V49-A51 PolarHBondContact O-N 2.98Å; A51-G55 WeakPolarHBondContact O-CA 3.22Å; A51-G55 PolarHBondContact O-N 3.31Å; A51-L56 WeakPolarHBondContact CA-O 3.44Å; A51-L56 PolarHBondContact N-O 3.29Å; A51-F240 HydrophobicContact CB-CE1 4.31Å; A51-F240 HydrophobicContact CB-CZ 4.03Å
52G92.4Very high91.2Very high36 Ų3633.9 Ų33.937%0.37123%0.231SC..Iπ-helixtrans-91.6-37-171.300000114.4G48 F240G48-G52 WeakPolarHBondContact O-CA 3.36Å; G48-G52 PolarHBondContact O-N 3.06Å; G52-F240 VanDerWaalsContact CA-CE2 3.5Å
53S93.6Very high90.9Very high50 Ų5037.3 Ų37.335%0.3525%0.252SS..Iπ-helixtrans-88.6-36.3178.5-550000112.2V49 D70V49-S53 WeakPolarHBondContact O-CA 3.42Å; V49-S53 VanDerWaalsContact O-CB 3.23Å; V49-S53 WeakPolarHBondContact O-CB 3.41Å; V49-S53 PolarHBondContact O-N 2.87Å; S53-D70 WeakPolarHBondContact CB-OD2 3.45Å; S53-D70 PolarHBondContact OG-OD2 3.35Å
54L94.6Very high90.7Very high62 Ų6238 Ų3833%0.32526%0.256SS..SBendtrans-107.7-18.1-174.9-55.2177.6000114.4V49 A50 L56 D66V49-L54 PolarHBondContact O-N 3.12Å; A50-L54 CarbonylContact O-C 3.58Å; A50-L54 WeakPolarHBondContact O-CB 3.13Å; A50-L54 PolarHBondContact O-N 3.48Å; L54-L56 VanDerWaalsContact C-N 3.27Å; L54-L56 HydrophobicContact CB-CB 4.3Å; L54-L56 HydrophobicContact CB-CD1 3.96Å; L54-L56 HydrophobicContact CB-CG 3.99Å; L54-L56 HydrophobicContact CD1-CD1 4.37Å; L54-L56 PolarHBondContact O-N 2.96Å; L54-D66 HydrophobicContact CD1-CB 4.17Å
55G93.9Very high90.7Very high63 Ų6342.5 Ų42.565%0.64928%0.28SS*.  trans6826.4-174.400000113.6A50 A51A50-G55 PolarHBondContact O-N 2.99Å; A51-G55 WeakPolarHBondContact O-CA 3.22Å; A51-G55 PolarHBondContact O-N 3.31Å
56L92.2Very high90.7Very high71 Ų7144.1 Ų44.137%0.37229%0.288SS..  trans-114.4154.8-175.1-64.1177.8000111.7A50 A51 L54 I61A50-L56 CarbonylContact C-O 3.58Å; A50-L56 PolarHBondContact O-N 3.41Å; A50-L56 VanDerWaalsContact O-O 3.14Å; A51-L56 WeakPolarHBondContact CA-O 3.44Å; A51-L56 PolarHBondContact N-O 3.29Å; L54-L56 VanDerWaalsContact C-N 3.27Å; L54-L56 HydrophobicContact CB-CB 4.3Å; L54-L56 HydrophobicContact CB-CD1 3.96Å; L54-L56 HydrophobicContact CB-CG 3.99Å; L54-L56 HydrophobicContact CD1-CD1 4.37Å; L54-L56 PolarHBondContact O-N 2.96Å; L56-I61 HydrophobicContact CD1-CG2 3.87Å
57P85.9Confident90.9Very high74 Ų7444.2 Ų44.248%0.48129%0.288SS..  trans-69144.6172.530.9-35.8000111.3L59 I61P57-L59 VanDerWaalsContact C-N 3.28Å; P57-L59 HydrophobicContact CB-CD1 4.04Å; P57-L59 HydrophobicContact CB-CG 4.08Å; P57-L59 HydrophobicContact CG-CD1 3.88Å; P57-L59 HydrophobicContact CG-CG 4.29Å; P57-L59 PolarHBondContact O-N 3.39Å; P57-I61 HydrophobicContact CG-CD1 4.1Å
58D84.4Confident91.3Very high37 Ų3744 Ų4420%0.19828%0.284CS..SBendtrans-74.178.4176-177.122.1000111.5A50 K121A50-D58 HydrophobicContact CB-CB 4.31Å; D58-K121 WeakPolarHBondContact OD1-CE 3.34Å; D58-K121 IonicContact OD1-NZ 3.02Å; D58-K121 PolarHBondContact OD1-NZ 3.03Å; D58-K121 IonicContact OD2-NZ 3.74Å
59L81.6Confident91.5Very high99 Ų9946 Ų4652%0.51830%0.295SS..SBendtrans-124.627.8-179.4-61.9176.1000111.5P57 I61P57-L59 VanDerWaalsContact C-N 3.28Å; P57-L59 HydrophobicContact CB-CD1 4.04Å; P57-L59 HydrophobicContact CB-CG 4.08Å; P57-L59 HydrophobicContact CG-CD1 3.88Å; P57-L59 HydrophobicContact CG-CG 4.29Å; P57-L59 PolarHBondContact O-N 3.39Å; L59-I61 VanDerWaalsContact C-N 3.32Å; L59-I61 HydrophobicContact CB-CD1 4.29Å; L59-I61 HydrophobicContact CB-CG1 4.23Å; L59-I61 PolarHBondContact O-N 2.98Å
60G78.7Confident91.7Very high36 Ų3646.3 Ų46.337%0.37130%0.297SS..SBendtrans68.828-176.100000113.9
61I83.9Confident91.9Very high88 Ų8846.3 Ų46.345%0.45130%0.297SS..  trans-84.3-32.5179.8-56.5172.4000111.4L56 P57 L59L56-I61 HydrophobicContact CD1-CG2 3.87Å; P57-I61 HydrophobicContact CG-CD1 4.1Å; L59-I61 VanDerWaalsContact C-N 3.32Å; L59-I61 HydrophobicContact CB-CD1 4.29Å; L59-I61 HydrophobicContact CB-CG1 4.23Å; L59-I61 PolarHBondContact O-N 2.98Å
62S89.4Confident92.1Very high8 Ų848.6 Ų48.66%0.05630%0.295CS..  trans-60.5138.717743.90000111.2
63T93Very high92.3Very high72 Ų7253.9 Ų53.944%0.44230%0.304SS..  trans-94.4165.1177.572.20000111.2D65 D66 V67T63-D65 PolarHBondContact O-N 2.77Å; T63-D65 PolarHBondContact OG1-N 3.42Å; T63-D66 WeakPolarHBondContact CB-OD2 3.33Å; T63-D66 PolarHBondContact N-OD2 2.72Å; T63-D66 WeakPolarHBondContact O-CB 3.44Å; T63-D66 PolarHBondContact O-N 2.88Å; T63-D66 PolarHBondContact OG1-N 2.91Å; T63-D66 PolarHBondContact OG1-OD2 2.93Å; T63-V67 PolarHBondContact O-N 3.29Å
64L94.8Very high92.5Very high21 Ų2151.5 Ų51.511%0.1129%0.287CS..Hα-helixtrans-55-39.1172.3176.160.3000111.5D66 V67 L68 F90 T100 M104L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.22Å; L64-V67 PolarHBondContact O-N 3.18Å; L64-L68 HydrophobicContact CD1-CD1 4.1Å; L64-L68 HydrophobicContact CD1-CD2 4.25Å; L64-L68 HydrophobicContact CD1-CG 3.88Å; L64-L68 HydrophobicContact CD2-CD1 4.28Å; L64-L68 HydrophobicContact CG-CD1 3.75Å; L64-L68 HydrophobicContact CG-CG 4.01Å; L64-L68 WeakPolarHBondContact O-CB 3.39Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.15Å; L64-F90 HydrophobicContact CB-CB 4.03Å; L64-F90 HydrophobicContact CB-CD1 4.07Å; L64-F90 HydrophobicContact CB-CD2 4.12Å; L64-F90 HydrophobicContact CB-CG 3.79Å; L64-F90 HydrophobicContact CD1-CD2 3.71Å; L64-F90 HydrophobicContact CD1-CE2 4.04Å; L64-F90 HydrophobicContact CD1-CG 4.27Å; L64-F90 HydrophobicContact CG-CD2 4.47Å; L64-T100 HydrophobicContact CD1-CG2 4.02Å; L64-M104 HydrophobicContact CD1-CE 4.24Å
65D96.1Very high92.6Very high96 Ų9650.2 Ų50.251%0.51328%0.282SS..Hα-helixtrans-69.7-30.3-176.6-112.432.5000112.9T63 T69T63-D65 PolarHBondContact O-N 2.77Å; T63-D65 PolarHBondContact OG1-N 3.42Å; D65-T69 WeakPolarHBondContact O-CB 3.05Å; D65-T69 PolarHBondContact O-N 3.21Å; D65-T69 PolarHBondContact O-OG1 2.82Å
66D95.5Very high92.5Very high49 Ų4953.5 Ų53.526%0.26229%0.285SS..Hα-helixtrans-63.1-49.1172.5-59.5-54.7000110.1V49 L54 T63 L64 T69 D70V49-D66 HydrophobicContact CG1-CB 4.3Å; L54-D66 HydrophobicContact CD1-CB 4.17Å; T63-D66 WeakPolarHBondContact CB-OD2 3.33Å; T63-D66 PolarHBondContact N-OD2 2.72Å; T63-D66 WeakPolarHBondContact O-CB 3.44Å; T63-D66 PolarHBondContact O-N 2.88Å; T63-D66 PolarHBondContact OG1-N 2.91Å; T63-D66 PolarHBondContact OG1-OD2 2.93Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.22Å; D66-T69 WeakPolarHBondContact O-CB 3.15Å; D66-T69 PolarHBondContact O-N 3.44Å; D66-D70 PolarHBondContact O-N 3.15Å
67V96.6Very high92.5Very high2 Ų253.7 Ų53.71%0.01229%0.289CS..Hα-helixtrans-65-45.3178.2-1790000111.2L44 V49 T63 L64 T69 D70 I71 V84 F90 M104L44-V67 HydrophobicContact CD2-CG1 3.94Å; V49-V67 HydrophobicContact CG1-CG2 4.28Å; V49-V67 HydrophobicContact CG2-CG2 4.45Å; T63-V67 PolarHBondContact O-N 3.29Å; L64-V67 PolarHBondContact O-N 3.18Å; V67-T69 PolarHBondContact O-N 2.93Å; V67-D70 PolarHBondContact O-N 3.21Å; V67-D70 VanDerWaalsContact O-N 3.15Å; V67-I71 HydrophobicContact CG1-CD1 4.09Å; V67-I71 HydrophobicContact CG1-CG1 4.34Å; V67-I71 WeakPolarHBondContact O-CG1 3.49Å; V67-I71 PolarHBondContact O-N 3.04Å; V67-V84 HydrophobicContact CG1-CG1 3.7Å; V67-F90 HydrophobicContact CB-CZ 4.29Å; V67-F90 HydrophobicContact CG2-CE1 4.27Å; V67-F90 HydrophobicContact CG2-CE2 4.46Å; V67-F90 HydrophobicContact CG2-CZ 3.63Å; V67-M104 HydrophobicContact CG1-CE 4.02Å
68L97.3Very high92.8Very high9 Ų950.5 Ų50.55%0.04727%0.268CS..Hα-helixtrans-61-30.5178-69174.9000112.4L64 I71 R72 S103 M104 A107L64-L68 HydrophobicContact CD1-CD1 4.1Å; L64-L68 HydrophobicContact CD1-CD2 4.25Å; L64-L68 HydrophobicContact CD1-CG 3.88Å; L64-L68 HydrophobicContact CD2-CD1 4.28Å; L64-L68 HydrophobicContact CG-CD1 3.75Å; L64-L68 HydrophobicContact CG-CG 4.01Å; L64-L68 WeakPolarHBondContact O-CB 3.39Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.15Å; L68-I71 HydrophobicContact CD2-CD1 4.23Å; L68-R72 WeakPolarHBondContact O-CG 3.48Å; L68-R72 VanDerWaalsContact O-CZ 3.23Å; L68-R72 PolarHBondContact O-N 3.48Å; L68-R72 VanDerWaalsContact O-N 3.13Å; L68-R72 PolarHBondContact O-NE 3.2Å; L68-R72 PolarHBondContact O-NH1 3.2Å; L68-S103 WeakPolarHBondContact CD2-O 3.14Å; L68-M104 HydrophobicContact CD2-CG 4.07Å; L68-A107 HydrophobicContact CD2-CB 3.91Å
69T97.1Very high93.2Very high44 Ų4453.1 Ų53.127%0.2729%0.289SS..Hα-helixtrans-65.9-44176.2-66.30000111.6D65 D66 V67 R72 R73D65-T69 WeakPolarHBondContact O-CB 3.05Å; D65-T69 PolarHBondContact O-N 3.21Å; D65-T69 PolarHBondContact O-OG1 2.82Å; D66-T69 WeakPolarHBondContact O-CB 3.15Å; D66-T69 PolarHBondContact O-N 3.44Å; V67-T69 PolarHBondContact O-N 2.93Å; T69-R72 PolarHBondContact OG1-NH2 2.63Å; T69-R73 WeakPolarHBondContact O-CG 3.48Å; T69-R73 PolarHBondContact O-N 3.23Å; T69-R73 VanDerWaalsContact O-N 3.16Å
70D97.3Very high94Very high7 Ų749.5 Ų49.54%0.03727%0.271CS..Hα-helixtrans-74.6-34.6179-72.6-18.2000112.4L44 S53 D66 V67 R72 R73 I74L44-D70 HydrophobicContact CD1-CB 4.12Å; L44-D70 HydrophobicContact CD2-CB 4.01Å; S53-D70 WeakPolarHBondContact CB-OD2 3.45Å; S53-D70 PolarHBondContact OG-OD2 3.35Å; D66-D70 PolarHBondContact O-N 3.15Å; V67-D70 PolarHBondContact O-N 3.21Å; V67-D70 VanDerWaalsContact O-N 3.15Å; D70-R72 PolarHBondContact O-N 3.34Å; D70-R73 PolarHBondContact O-N 3.24Å; D70-R73 IonicContact OD1-NH1 3.76Å; D70-R73 PolarHBondContact OD1-NH1 3.39Å; D70-I74 WeakPolarHBondContact O-CB 3.23Å; D70-I74 VanDerWaalsContact O-CG1 3.31Å; D70-I74 WeakPolarHBondContact O-CG1 3.43Å; D70-I74 PolarHBondContact O-N 3.14Å
71I97.9Very high94.9Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-53.8-56.9169.9-65.6171000109.7L44 V67 L68 R73 I74 T75 L82 V84 M104 A107 A109L44-I71 HydrophobicContact CD2-CG1 3.63Å; V67-I71 HydrophobicContact CG1-CD1 4.09Å; V67-I71 HydrophobicContact CG1-CG1 4.34Å; V67-I71 WeakPolarHBondContact O-CG1 3.49Å; V67-I71 PolarHBondContact O-N 3.04Å; L68-I71 HydrophobicContact CD2-CD1 4.23Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 2.92Å; I71-I74 PolarHBondContact O-N 3.46Å; I71-I74 VanDerWaalsContact O-N 3.07Å; I71-T75 HydrophobicContact CG2-CG2 4.02Å; I71-T75 WeakPolarHBondContact O-CG2 3.44Å; I71-T75 PolarHBondContact O-N 3.12Å; I71-T75 PolarHBondContact O-OG1 3.15Å; I71-L82 HydrophobicContact CB-CD2 4.32Å; I71-L82 HydrophobicContact CG1-CD2 4.15Å; I71-L82 HydrophobicContact CG2-CD2 4.1Å; I71-V84 HydrophobicContact CD1-CG1 4.04Å; I71-V84 HydrophobicContact CD1-CG2 3.89Å; I71-V84 HydrophobicContact CG1-CG1 4.38Å; I71-V84 HydrophobicContact CG1-CG2 3.94Å; I71-M104 HydrophobicContact CD1-CB 4.38Å; I71-M104 HydrophobicContact CD1-CG 3.91Å; I71-A107 HydrophobicContact CB-CB 4.15Å; I71-A107 HydrophobicContact CG2-CB 3.59Å; I71-A107 WeakPolarHBondContact CG2-O 3.46Å; I71-A109 HydrophobicContact CD1-CB 4.46Å; I71-A109 HydrophobicContact CG2-CB 4.31Å
72R97.6Very high95.6Very high96 Ų9644.1 Ų44.136%0.36223%0.234SC..Hα-helixtrans-56.1-47.8-177.5-73.7-178.5-66.7-961.9111.8L68 T69 D70 I74 T75 D76 A107L68-R72 WeakPolarHBondContact O-CG 3.48Å; L68-R72 VanDerWaalsContact O-CZ 3.23Å; L68-R72 PolarHBondContact O-N 3.48Å; L68-R72 VanDerWaalsContact O-N 3.13Å; L68-R72 PolarHBondContact O-NE 3.2Å; L68-R72 PolarHBondContact O-NH1 3.2Å; T69-R72 PolarHBondContact OG1-NH2 2.63Å; D70-R72 PolarHBondContact O-N 3.34Å; R72-I74 VanDerWaalsContact C-N 3.26Å; R72-I74 PolarHBondContact O-N 3.35Å; R72-T75 PolarHBondContact O-N 3.4Å; R72-T75 PolarHBondContact O-OG1 3.05Å; R72-D76 WeakPolarHBondContact O-CB 3.12Å; R72-D76 PolarHBondContact O-N 3.49Å; R72-A107 HydrophobicContact CG-CB 4.05Å
73R97.2Very high96Very high147 Ų14743.7 Ų43.756%0.55523%0.232SC*.Hα-helixtrans-57.8-39.5178.9-74.8170.1171.7168-3.1112.3A28 T69 D70 I71A28-R73 HydrophobicContact CB-CB 4.37Å; A28-R73 VanDerWaalsContact CB-O 3.23Å; A28-R73 WeakPolarHBondContact CB-O 3.46Å; T69-R73 WeakPolarHBondContact O-CG 3.48Å; T69-R73 PolarHBondContact O-N 3.23Å; T69-R73 VanDerWaalsContact O-N 3.16Å; D70-R73 PolarHBondContact O-N 3.24Å; D70-R73 IonicContact OD1-NH1 3.76Å; D70-R73 PolarHBondContact OD1-NH1 3.39Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 2.92Å
74I97.5Very high96.3Very high1 Ų140.3 Ų40.31%0.00521%0.211CC..Hα-helixtrans-73.7-52-179.8-72167000110.5A31 I42 L44 D70 I71 R72 D76 V77 C78 L82A31-I74 HydrophobicContact CB-CG1 4.49Å; A31-I74 HydrophobicContact CB-CG2 3.73Å; I42-I74 HydrophobicContact CD1-CG2 3.56Å; L44-I74 HydrophobicContact CD1-CD1 3.98Å; D70-I74 WeakPolarHBondContact O-CB 3.23Å; D70-I74 VanDerWaalsContact O-CG1 3.31Å; D70-I74 WeakPolarHBondContact O-CG1 3.43Å; D70-I74 PolarHBondContact O-N 3.14Å; I71-I74 PolarHBondContact O-N 3.46Å; I71-I74 VanDerWaalsContact O-N 3.07Å; R72-I74 VanDerWaalsContact C-N 3.26Å; R72-I74 PolarHBondContact O-N 3.35Å; I74-D76 VanDerWaalsContact C-N 3.28Å; I74-D76 PolarHBondContact O-N 3.07Å; I74-V77 PolarHBondContact O-N 2.9Å; I74-C78 WeakPolarHBondContact O-CB 3.5Å; I74-C78 PolarHBondContact O-N 3.48Å; I74-L82 HydrophobicContact CB-CD2 4.4Å; I74-L82 HydrophobicContact CG2-CD1 4.24Å; I74-L82 HydrophobicContact CG2-CD2 4.11Å
75T95.9Very high96.3Very high35 Ų3539.6 Ų39.622%0.21521%0.207CC..Hα-helixtrans-71.4-22.4-174570000113I71 R72 V77 L82 A107I71-T75 HydrophobicContact CG2-CG2 4.02Å; I71-T75 WeakPolarHBondContact O-CG2 3.44Å; I71-T75 PolarHBondContact O-N 3.12Å; I71-T75 PolarHBondContact O-OG1 3.15Å; R72-T75 PolarHBondContact O-N 3.4Å; R72-T75 PolarHBondContact O-OG1 3.05Å; T75-V77 VanDerWaalsContact C-N 3.26Å; T75-V77 PolarHBondContact O-N 2.84Å; T75-L82 HydrophobicContact CG2-CB 4.38Å; T75-L82 HydrophobicContact CG2-CD2 4.07Å; T75-A107 PolarHBondContact OG1-O 3Å
76D92.4Very high96.3Very high132 Ų13235 Ų3571%0.70618%0.183SC*.THydrogen-bonded Turntrans-69.2-23.5174.8-76.6-12.7000112.8R72 I74R72-D76 WeakPolarHBondContact O-CB 3.12Å; R72-D76 PolarHBondContact O-N 3.49Å; I74-D76 VanDerWaalsContact C-N 3.28Å; I74-D76 PolarHBondContact O-N 3.07Å
77V91.6Very high96.1Very high74 Ų7433 Ų3345%0.44817%0.172SC..THydrogen-bonded Turntrans-118.4-21.7-176.5-53.60000114.1A28 L32 I74 T75A28-V77 HydrophobicContact CB-CG2 3.74Å; L32-V77 HydrophobicContact CD1-CB 4.49Å; L32-V77 HydrophobicContact CD1-CG2 4.22Å; L32-V77 HydrophobicContact CD2-CB 4.34Å; L32-V77 HydrophobicContact CD2-CG2 4.19Å; L32-V77 VanDerWaalsContact CD2-O 3.27Å; L32-V77 WeakPolarHBondContact CD2-O 3.44Å; L32-V77 HydrophobicContact CG-CG2 4.05Å; I74-V77 PolarHBondContact O-N 2.9Å; T75-V77 VanDerWaalsContact C-N 3.26Å; T75-V77 PolarHBondContact O-N 2.84Å
78C93.3Very high95.9Very high7 Ų733.7 Ų33.75%0.04718%0.175CC..  trans-115.2131.7-176.8-171.90000110.8A31 Q35 I42 I74A31-C78 HydrophobicContact CB-CB 3.74Å; Q35-C78 PolarHBondContact OE1-SG 3.31Å; I42-C78 HydrophobicContact CD1-CB 4.41Å; I74-C78 WeakPolarHBondContact O-CB 3.5Å; I74-C78 PolarHBondContact O-N 3.48Å
79S92.8Very high95.6Very high93 Ų9333.3 Ų33.365%0.6517%0.173SC*.  trans-88.2-7.5-178.563.70000114Q35Q35-S79 VanDerWaalsContact OE1-N 3.12Å; Q35-S79 PolarHBondContact OE1-OG 2.9Å
80L97.3Very high95.4Very high23 Ų2333.1 Ų33.112%0.1217%0.169CC..SBendtrans-70.8142.9179.1-62.9-177.2000111.1Q35 Y39 I42 L82Q35-L80 HydrophobicContact CB-CD1 3.86Å; Q35-L80 HydrophobicContact CB-CG 4.2Å; Q35-L80 HydrophobicContact CG-CD1 4.12Å; Q35-L80 HydrophobicContact CG-CD2 4.35Å; Q35-L80 HydrophobicContact CG-CG 3.99Å; Y39-L80 WeakPolarHBondContact O-CD1 3.37Å; Y39-L80 WeakPolarHBondContact O-CD2 3.48Å; I42-L80 HydrophobicContact CD1-CB 4.36Å; I42-L80 HydrophobicContact CG1-CB 4.14Å; I42-L80 HydrophobicContact CG2-CB 4.43Å; I42-L80 HydrophobicContact CG2-CD1 3.85Å; L80-L82 PolarHBondContact O-N 3.49Å
81P98Very high94.8Very high9 Ų933.6 Ų33.66%0.05818%0.176CC..PPolyproline II helixtrans-64.3130.4176.328.3-35.4000111A9 F10 Q40 A41 I42 A110A9-P81 HydrophobicContact CB-CB 4.36Å; A9-P81 HydrophobicContact CB-CG 4.45Å; F10-P81 HydrophobicContact CB-CB 3.77Å; F10-P81 HydrophobicContact CB-CG 4.17Å; F10-P81 HydrophobicContact CD2-CB 3.98Å; F10-P81 HydrophobicContact CD2-CG 4.13Å; F10-P81 HydrophobicContact CG-CB 4.39Å; Q40-P81 VanDerWaalsContact O-CD 3.25Å; Q40-P81 WeakPolarHBondContact O-CD 3.5Å; Q40-P81 WeakPolarHBondContact O-CG 3.28Å; A41-P81 HydrophobicContact CB-CG 4.17Å; I42-P81 PolarHBondContact N-O 3.12Å; I42-P81 VanDerWaalsContact N-O 3.09Å; P81-A110 HydrophobicContact CB-CB 3.5Å; P81-A110 VanDerWaalsContact CB-CB 3.5Å
82L98.6Very high93.8Very high1 Ų137.8 Ų37.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-101118.3-178.3-176.868.1000111.1I42 L44 I71 I74 T75 L80 V84 A110 G111I42-L82 HydrophobicContact CB-CD1 4.39Å; I42-L82 HydrophobicContact CD1-CD1 3.93Å; I42-L82 HydrophobicContact CG1-CB 4.3Å; I42-L82 HydrophobicContact CG1-CD1 3.72Å; I42-L82 WeakPolarHBondContact O-CA 3.38Å; L44-L82 HydrophobicContact CB-CD1 4.09Å; L44-L82 HydrophobicContact CB-CD2 4.41Å; L44-L82 HydrophobicContact CB-CG 4.49Å; I71-L82 HydrophobicContact CB-CD2 4.32Å; I71-L82 HydrophobicContact CG1-CD2 4.15Å; I71-L82 HydrophobicContact CG2-CD2 4.1Å; I74-L82 HydrophobicContact CB-CD2 4.4Å; I74-L82 HydrophobicContact CG2-CD1 4.24Å; I74-L82 HydrophobicContact CG2-CD2 4.11Å; T75-L82 HydrophobicContact CG2-CB 4.38Å; T75-L82 HydrophobicContact CG2-CD2 4.07Å; L80-L82 PolarHBondContact O-N 3.49Å; L82-V84 HydrophobicContact CD2-CG2 4Å; L82-V84 HydrophobicContact CG-CG2 3.91Å; L82-A110 PolarHBondContact O-N 3.27Å; L82-G111 PolarHBondContact O-N 2.86Å
83L98.6Very high93.3Very high0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-88.7135.1166.9-179.165.4000109.3F10 I22 I42 Y43 L44 M156 L208F10-L83 HydrophobicContact CE2-CB 4.08Å; F10-L83 HydrophobicContact CZ-CD2 4.39Å; I22-L83 HydrophobicContact CD1-CD2 4.03Å; I42-L83 PolarHBondContact O-N 3.18Å; Y43-L83 CarbonylContact C-O 3.21Å; Y43-L83 VanDerWaalsContact CA-O 3.29Å; Y43-L83 WeakPolarHBondContact CA-O 3.48Å; Y43-L83 HydrophobicContact CD2-CB 4.17Å; Y43-L83 HydrophobicContact CD2-CD2 4.27Å; Y43-L83 HydrophobicContact CD2-CG 4.08Å; Y43-L83 WeakPolarHBondContact CD2-O 3.3Å; Y43-L83 HydrophobicContact CE2-CG 4.48Å; L44-L83 PolarHBondContact N-O 2.87Å; L83-M156 HydrophobicContact CD2-CE 4.07Å; L83-M156 HydrophobicContact CD2-SD 4.41Å; L83-L208 HydrophobicContact CD2-CD1 3.89Å
84V98.4Very high92.8Very high0 Ų030.9 Ų30.90%020%0.197CC..EExtended strand (participates in β ladder)trans-123.1139.3-173.2-174.50000111.7L44 V67 I71 L82 A86 M104 A109 G111 L112 H113L44-V84 HydrophobicContact CB-CG1 4.38Å; L44-V84 HydrophobicContact CB-CG2 4.36Å; L44-V84 HydrophobicContact CD2-CG1 4.32Å; V67-V84 HydrophobicContact CG1-CG1 3.7Å; I71-V84 HydrophobicContact CD1-CG1 4.04Å; I71-V84 HydrophobicContact CD1-CG2 3.89Å; I71-V84 HydrophobicContact CG1-CG1 4.38Å; I71-V84 HydrophobicContact CG1-CG2 3.94Å; L82-V84 HydrophobicContact CD2-CG2 4Å; L82-V84 HydrophobicContact CG-CG2 3.91Å; V84-A86 PolarHBondContact O-N 3.17Å; V84-M104 HydrophobicContact CB-SD 4.31Å; V84-M104 HydrophobicContact CG1-CE 3.77Å; V84-M104 HydrophobicContact CG1-SD 4.12Å; V84-A109 HydrophobicContact CG2-CB 3.82Å; V84-G111 PolarHBondContact N-O 3.34Å; V84-L112 CarbonylContact O-C 3.42Å; V84-L112 WeakPolarHBondContact O-CA 3.41Å; V84-L112 WeakPolarHBondContact O-CB 3.25Å; V84-H113 PolarHBondContact O-N 3.43Å
85D95.9Very high92.5Very high7 Ų739.4 Ų39.44%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-72.4113.8164.3-162.4-22.4000110.6Y43 L44 G46 D87 H113Y43-D85 HydrophobicContact CE2-CB 4.43Å; Y43-D85 WeakPolarHBondContact OH-CB 3.06Å; Y43-D85 PolarHBondContact OH-OD2 2.64Å; L44-D85 PolarHBondContact O-N 3.46Å; G46-D85 VanDerWaalsContact N-CB 3.27Å; G46-D85 PolarHBondContact N-OD2 2.98Å; D85-D87 PolarHBondContact OD1-N 3.06Å; D85-H113 IonicContact OD1-CE1 3.46Å; D85-H113 PolarHBondContact OD1-CE1 3.46Å; D85-H113 IonicContact OD1-ND1 3.48Å; D85-H113 IonicContact OD1-NE2 3.11Å; D85-H113 IonicContact OD2-CE1 3.57Å; D85-H113 IonicContact OD2-NE2 2.69Å
86A95.2Very high92.4Very high0 Ų040.6 Ų40.60%024%0.24CC..  trans-97.812.4177.200000113.2V84 I88 G89 T100 M104 L112 H113 I114V84-A86 PolarHBondContact O-N 3.17Å; A86-I88 PolarHBondContact O-N 3.34Å; A86-G89 VanDerWaalsContact O-CA 3.31Å; A86-G89 WeakPolarHBondContact O-CA 3.32Å; A86-G89 PolarHBondContact O-N 3.33Å; A86-T100 HydrophobicContact CB-CG2 4.2Å; A86-M104 HydrophobicContact CB-CE 3.82Å; A86-M104 HydrophobicContact CB-SD 4.1Å; A86-L112 HydrophobicContact CB-CB 4.12Å; A86-L112 HydrophobicContact CB-CD1 3.99Å; A86-L112 HydrophobicContact CB-CD2 4.29Å; A86-L112 HydrophobicContact CB-CG 4.37Å; A86-H113 WeakPolarHBondContact CA-O 3.31Å; A86-H113 VanDerWaalsContact CB-O 3.28Å; A86-H113 WeakPolarHBondContact CB-O 3.33Å; A86-H113 PolarHBondContact N-O 2.82Å; A86-I114 HydrophobicContact CB-CG1 4.14Å
87D91.4Very high92.6Very high6 Ų634.3 Ų34.33%0.03221%0.206CC..THydrogen-bonded Turntrans49.7-130.4-172.5-63.3-28.7000110D85 G89 I114 E115 K121D85-D87 PolarHBondContact OD1-N 3.06Å; D87-G89 PolarHBondContact O-N 3.23Å; D87-I114 WeakPolarHBondContact O-CA 3.46Å; D87-E115 PolarHBondContact O-N 3.31Å; D87-K121 HydrophobicContact CB-CD 4.17Å; D87-K121 VanDerWaalsContact CG-CE 3.44Å; D87-K121 VanDerWaalsContact OD1-CE 3.23Å; D87-K121 WeakPolarHBondContact OD1-CE 3.24Å; D87-K121 IonicContact OD1-NZ 2.82Å; D87-K121 PolarHBondContact OD1-NZ 2.99Å; D87-K121 IonicContact OD2-NZ 3.23Å
88I91.8Very high92.8Very high17 Ų1731.8 Ų31.89%0.08719%0.193CC..THydrogen-bonded Turntrans-86.713.4174.364162.7000113.3A86 E115 Q117A86-I88 PolarHBondContact O-N 3.34Å; I88-E115 HydrophobicContact CG2-CG 3.74Å; I88-Q117 HydrophobicContact CG2-CB 4.29Å; I88-Q117 VanDerWaalsContact CG2-O 3.29Å; I88-Q117 WeakPolarHBondContact CG2-O 3.29Å
89G92.8Very high93Very high0 Ų039 Ų390%022%0.219CC..THydrogen-bonded Turntrans92.418.3-174.600000115.3A86 D87 G91 T100A86-G89 VanDerWaalsContact O-CA 3.31Å; A86-G89 WeakPolarHBondContact O-CA 3.32Å; A86-G89 PolarHBondContact O-N 3.33Å; D87-G89 PolarHBondContact O-N 3.23Å; G89-G91 PolarHBondContact O-N 3.03Å; G89-T100 PolarHBondContact O-OG1 3.47Å
90F91.5Very high93.2Very high40 Ų4034.7 Ų34.718%0.17519%0.189CC..SBendtrans53.634.5-176.9-62.2-82.2000114.7L64 V67 T100 M104L64-F90 HydrophobicContact CB-CB 4.03Å; L64-F90 HydrophobicContact CB-CD1 4.07Å; L64-F90 HydrophobicContact CB-CD2 4.12Å; L64-F90 HydrophobicContact CB-CG 3.79Å; L64-F90 HydrophobicContact CD1-CD2 3.71Å; L64-F90 HydrophobicContact CD1-CE2 4.04Å; L64-F90 HydrophobicContact CD1-CG 4.27Å; L64-F90 HydrophobicContact CG-CD2 4.47Å; V67-F90 HydrophobicContact CB-CZ 4.29Å; V67-F90 HydrophobicContact CG2-CE1 4.27Å; V67-F90 HydrophobicContact CG2-CE2 4.46Å; V67-F90 HydrophobicContact CG2-CZ 3.63Å; F90-T100 HydrophobicContact CD2-CG2 3.83Å; F90-T100 HydrophobicContact CE2-CG2 4.46Å; F90-M104 HydrophobicContact CD2-CE 4.49Å; F90-M104 HydrophobicContact CE2-CE 3.83Å
91G84.7Confident93.2Very high18 Ų1833.6 Ų33.619%0.18618%0.183CC..SBendtrans156.3154.3172.900000111.2G89G89-G91 PolarHBondContact O-N 3.03Å
92S77.6Confident93.2Very high88 Ų8838.3 Ų38.362%0.61520%0.203SC*.SBendtrans-83.3-9.5-173.853.50000114.8
93S86Confident93.2Very high41 Ų4139.7 Ų39.729%0.28721%0.213SC..SBendtrans-90.9150.1-179.6830000112.3F95 N96 V97S93-F95 PolarHBondContact O-N 3.02Å; S93-F95 VanDerWaalsContact O-N 3.14Å; S93-F95 PolarHBondContact OG-N 3.35Å; S93-N96 WeakPolarHBondContact O-CB 3.35Å; S93-N96 PolarHBondContact O-N 3.39Å; S93-N96 PolarHBondContact OG-N 2.9Å; S93-N96 VanDerWaalsContact OG-N 3.17Å; S93-N96 PolarHBondContact OG-OD1 3.23Å; S93-V97 PolarHBondContact O-N 3.24Å; S93-V97 VanDerWaalsContact O-N 3.13Å
94A88.5Confident93.1Very high56 Ų5639.7 Ų39.746%0.46321%0.213SC..Hα-helixtrans-52.9-34.5171.600000112.6V97 A98 A143A94-V97 PolarHBondContact O-N 3.47Å; A94-A98 VanDerWaalsContact O-CB 3.29Å; A94-A98 WeakPolarHBondContact O-CB 3.16Å; A94-A98 PolarHBondContact O-N 3.4Å; A94-A143 HydrophobicContact CB-CB 3.71Å
95F90.6Very high93.1Very high181 Ų18141 Ų4179%0.79422%0.219SC*.Hα-helixtrans-67-36.7176.4-64.9-73.2000112.9S93 R99S93-F95 PolarHBondContact O-N 3.02Å; S93-F95 VanDerWaalsContact O-N 3.14Å; S93-F95 PolarHBondContact OG-N 3.35Å; F95-R99 WeakPolarHBondContact O-CB 3.48Å; F95-R99 PolarHBondContact O-N 2.9Å
96N93.4Very high93.1Very high60 Ų6049.6 Ų49.632%0.32126%0.256SS..Hα-helixtrans-67.1-47.8175.5-71.3106.7000110.8S93 A98 R99 T100S93-N96 WeakPolarHBondContact O-CB 3.35Å; S93-N96 PolarHBondContact O-N 3.39Å; S93-N96 PolarHBondContact OG-N 2.9Å; S93-N96 VanDerWaalsContact OG-N 3.17Å; S93-N96 PolarHBondContact OG-OD1 3.23Å; N96-A98 VanDerWaalsContact C-N 3.34Å; N96-A98 PolarHBondContact O-N 2.69Å; N96-R99 WeakPolarHBondContact O-CB 3.24Å; N96-R99 PolarHBondContact O-N 3.44Å; N96-T100 PolarHBondContact O-N 3.49Å; N96-T100 PolarHBondContact O-OG1 3.2Å; N96-T100 VanDerWaalsContact O-OG1 3.13Å
97V95.9Very high93.1Very high0 Ų050.2 Ų50.20%026%0.261CS..Hα-helixtrans-57.6-48.6176.7178.50000110.7S93 A94 R99 T100 V101 I114 R140 A143 A144S93-V97 PolarHBondContact O-N 3.24Å; S93-V97 VanDerWaalsContact O-N 3.13Å; A94-V97 PolarHBondContact O-N 3.47Å; V97-R99 VanDerWaalsContact C-N 3.32Å; V97-R99 PolarHBondContact O-N 3.1Å; V97-T100 WeakPolarHBondContact O-CB 3.43Å; V97-T100 PolarHBondContact O-N 3.12Å; V97-T100 VanDerWaalsContact O-N 3.1Å; V97-V101 HydrophobicContact CG1-CG2 4.49Å; V97-V101 WeakPolarHBondContact O-CG2 3.37Å; V97-V101 PolarHBondContact O-N 2.66Å; V97-I114 HydrophobicContact CG1-CD1 3.71Å; V97-R140 WeakPolarHBondContact CG1-O 3.35Å; V97-R140 HydrophobicContact CG2-CB 4.35Å; V97-R140 HydrophobicContact CG2-CG 4.27Å; V97-A143 HydrophobicContact CB-CB 4.17Å; V97-A143 HydrophobicContact CG1-CB 4.19Å; V97-A144 HydrophobicContact CG1-CB 3.74Å
98A96.2Very high93.3Very high21 Ų2151 Ų5117%0.17427%0.271CS..Hα-helixtrans-61.5-38.6179.100000112.8A94 N96 K102 A147A94-A98 VanDerWaalsContact O-CB 3.29Å; A94-A98 WeakPolarHBondContact O-CB 3.16Å; A94-A98 PolarHBondContact O-N 3.4Å; N96-A98 VanDerWaalsContact C-N 3.34Å; N96-A98 PolarHBondContact O-N 2.69Å; A98-K102 WeakPolarHBondContact O-CG 3.41Å; A98-K102 PolarHBondContact O-N 3.39Å; A98-A147 VanDerWaalsContact CA-CB 3.47Å; A98-A147 HydrophobicContact CB-CB 3.66Å
99R97Very high93.6Very high158 Ų15850.3 Ų50.360%0.59627%0.268SS*.Hα-helixtrans-63.9-42.9173.7177-178.3169.6-171.4-4.3111.4F95 N96 V97 S103F95-R99 WeakPolarHBondContact O-CB 3.48Å; F95-R99 PolarHBondContact O-N 2.9Å; N96-R99 WeakPolarHBondContact O-CB 3.24Å; N96-R99 PolarHBondContact O-N 3.44Å; V97-R99 VanDerWaalsContact C-N 3.32Å; V97-R99 PolarHBondContact O-N 3.1Å; R99-S103 VanDerWaalsContact O-CB 3.31Å; R99-S103 WeakPolarHBondContact O-CB 3.28Å; R99-S103 PolarHBondContact O-N 2.9Å; R99-S103 PolarHBondContact O-OG 3.41Å
100T97.7Very high93.9Very high3 Ų350.3 Ų50.32%0.01827%0.268CS..Hα-helixtrans-59.4-51.9178.4-66.60000110.8L64 A86 G89 F90 N96 V97 K102 S103 M104L64-T100 HydrophobicContact CD1-CG2 4.02Å; A86-T100 HydrophobicContact CB-CG2 4.2Å; G89-T100 PolarHBondContact O-OG1 3.47Å; F90-T100 HydrophobicContact CD2-CG2 3.83Å; F90-T100 HydrophobicContact CE2-CG2 4.46Å; N96-T100 PolarHBondContact O-N 3.49Å; N96-T100 PolarHBondContact O-OG1 3.2Å; N96-T100 VanDerWaalsContact O-OG1 3.13Å; V97-T100 WeakPolarHBondContact O-CB 3.43Å; V97-T100 PolarHBondContact O-N 3.12Å; V97-T100 VanDerWaalsContact O-N 3.1Å; T100-K102 PolarHBondContact O-N 3.34Å; T100-S103 PolarHBondContact O-N 3.41Å; T100-S103 VanDerWaalsContact O-N 3.17Å; T100-M104 HydrophobicContact CG2-CE 3.93Å; T100-M104 HydrophobicContact CG2-CG 4.46Å; T100-M104 HydrophobicContact CG2-SD 4.07Å; T100-M104 WeakPolarHBondContact O-CG 3.31Å; T100-M104 PolarHBondContact O-N 2.99Å
101V98.2Very high94.2Very high0 Ų048.4 Ų48.40%026%0.259CS..Hα-helixtrans-56.4-52.2178.8177.10000111.4V97 S103 M104 I105 L112 A144 A147 F153 I155V97-V101 HydrophobicContact CG1-CG2 4.49Å; V97-V101 WeakPolarHBondContact O-CG2 3.37Å; V97-V101 PolarHBondContact O-N 2.66Å; V101-S103 VanDerWaalsContact C-N 3.26Å; V101-S103 PolarHBondContact O-N 3Å; V101-M104 PolarHBondContact O-N 3.11Å; V101-I105 HydrophobicContact CG1-CD1 3.73Å; V101-I105 HydrophobicContact CG1-CG1 4.41Å; V101-I105 WeakPolarHBondContact O-CG1 3.47Å; V101-I105 PolarHBondContact O-N 3.31Å; V101-L112 HydrophobicContact CB-CD2 4.5Å; V101-L112 HydrophobicContact CG2-CD2 4.02Å; V101-A144 HydrophobicContact CG2-CB 3.77Å; V101-A147 HydrophobicContact CB-CB 3.93Å; V101-A147 HydrophobicContact CG1-CB 4.13Å; V101-A147 HydrophobicContact CG2-CB 4.39Å; V101-F153 HydrophobicContact CG1-CD1 4.28Å; V101-F153 HydrophobicContact CG1-CE1 4.08Å; V101-I155 HydrophobicContact CG1-CD1 4.4Å; V101-I155 HydrophobicContact CG2-CD1 4.4Å
102K97.6Very high94.9Very high107 Ų10747.5 Ų47.547%0.46525%0.25SS..Hα-helixtrans-60.4-37.7180-70.5176.1-177.3178.20112.4A98 T100 K106 A147 T149A98-K102 WeakPolarHBondContact O-CG 3.41Å; A98-K102 PolarHBondContact O-N 3.39Å; T100-K102 PolarHBondContact O-N 3.34Å; K102-K106 VanDerWaalsContact O-CB 3.29Å; K102-K106 WeakPolarHBondContact O-CB 3.43Å; K102-K106 PolarHBondContact O-N 3.24Å; K102-A147 WeakPolarHBondContact CE-O 3.39Å; K102-A147 HydrophobicContact CG-CB 4.45Å; K102-A147 WeakPolarHBondContact CG-O 3.36Å; K102-T149 HydrophobicContact CG-CG2 4.16Å
103S98Very high95.8Very high31 Ų3143.3 Ų43.322%0.21722%0.221CC..Hα-helixtrans-71.4-40.5179.9-55.20000111.8L68 R99 T100 V101 K106 A107L68-S103 WeakPolarHBondContact CD2-O 3.14Å; R99-S103 VanDerWaalsContact O-CB 3.31Å; R99-S103 WeakPolarHBondContact O-CB 3.28Å; R99-S103 PolarHBondContact O-N 2.9Å; R99-S103 PolarHBondContact O-OG 3.41Å; T100-S103 PolarHBondContact O-N 3.41Å; T100-S103 VanDerWaalsContact O-N 3.17Å; V101-S103 VanDerWaalsContact C-N 3.26Å; V101-S103 PolarHBondContact O-N 3Å; S103-K106 PolarHBondContact O-N 3.28Å; S103-A107 WeakPolarHBondContact O-CB 3.5Å; S103-A107 PolarHBondContact O-N 2.95Å
104M97.9Very high96.3Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-68.1-41.7176.9-71.3-173.3171.100112.1L64 V67 L68 I71 V84 A86 F90 T100 V101 K106 A107 G108 A109 L112 F153L64-M104 HydrophobicContact CD1-CE 4.24Å; V67-M104 HydrophobicContact CG1-CE 4.02Å; L68-M104 HydrophobicContact CD2-CG 4.07Å; I71-M104 HydrophobicContact CD1-CB 4.38Å; I71-M104 HydrophobicContact CD1-CG 3.91Å; V84-M104 HydrophobicContact CB-SD 4.31Å; V84-M104 HydrophobicContact CG1-CE 3.77Å; V84-M104 HydrophobicContact CG1-SD 4.12Å; A86-M104 HydrophobicContact CB-CE 3.82Å; A86-M104 HydrophobicContact CB-SD 4.1Å; F90-M104 HydrophobicContact CD2-CE 4.49Å; F90-M104 HydrophobicContact CE2-CE 3.83Å; T100-M104 HydrophobicContact CG2-CE 3.93Å; T100-M104 HydrophobicContact CG2-CG 4.46Å; T100-M104 HydrophobicContact CG2-SD 4.07Å; T100-M104 WeakPolarHBondContact O-CG 3.31Å; T100-M104 PolarHBondContact O-N 2.99Å; V101-M104 PolarHBondContact O-N 3.11Å; M104-K106 VanDerWaalsContact C-N 3.33Å; M104-K106 PolarHBondContact O-N 3.41Å; M104-A107 PolarHBondContact O-N 3.49Å; M104-A107 VanDerWaalsContact O-N 3.17Å; M104-G108 PolarHBondContact O-N 3.42Å; M104-A109 HydrophobicContact CB-CB 4.19Å; M104-A109 WeakPolarHBondContact O-CB 3.33Å; M104-A109 PolarHBondContact O-N 2.94Å; M104-A109 VanDerWaalsContact O-N 3.08Å; M104-L112 HydrophobicContact CB-CD2 4.44Å; M104-L112 HydrophobicContact SD-CB 3.97Å; M104-L112 HydrophobicContact SD-CD2 3.53Å; M104-L112 VanDerWaalsContact SD-CD2 3.53Å; M104-L112 HydrophobicContact SD-CG 4.39Å; M104-F153 HydrophobicContact CB-CZ 4.47Å
105I97.4Very high96.6Very high27 Ų2738.8 Ų38.814%0.13819%0.186CC..Hα-helixtrans-58.2-48.1172.3-66.7167.4000110V101 A107 G108 T149 D150 F153V101-I105 HydrophobicContact CG1-CD1 3.73Å; V101-I105 HydrophobicContact CG1-CG1 4.41Å; V101-I105 WeakPolarHBondContact O-CG1 3.47Å; V101-I105 PolarHBondContact O-N 3.31Å; I105-A107 PolarHBondContact O-N 3.35Å; I105-G108 PolarHBondContact O-N 3.19Å; I105-T149 WeakPolarHBondContact CG2-OG1 3.33Å; I105-D150 HydrophobicContact CG2-CB 4.05Å; I105-F153 HydrophobicContact CD1-CB 4.12Å; I105-F153 HydrophobicContact CD1-CD1 4Å; I105-F153 HydrophobicContact CD1-CD2 4.29Å; I105-F153 HydrophobicContact CD1-CE1 4.49Å; I105-F153 HydrophobicContact CD1-CG 3.88Å; I105-F153 HydrophobicContact CG1-CB 4.17Å; I105-F153 HydrophobicContact CG1-CD1 3.92Å; I105-F153 HydrophobicContact CG1-CD2 3.47Å; I105-F153 VanDerWaalsContact CG1-CD2 3.47Å; I105-F153 HydrophobicContact CG1-CE1 4.13Å; I105-F153 HydrophobicContact CG1-CE2 3.69Å; I105-F153 HydrophobicContact CG1-CG 3.58Å; I105-F153 HydrophobicContact CG1-CZ 4.02Å
106K96.1Very high96.8Very high188 Ų18830.2 Ų30.282%0.81715%0.148SC*.Hα-helixtrans-62.3-32178.7-174.7177.1179.6-177.50112.8K102 S103 M104 G108K102-K106 VanDerWaalsContact O-CB 3.29Å; K102-K106 WeakPolarHBondContact O-CB 3.43Å; K102-K106 PolarHBondContact O-N 3.24Å; S103-K106 PolarHBondContact O-N 3.28Å; M104-K106 VanDerWaalsContact C-N 3.33Å; M104-K106 PolarHBondContact O-N 3.41Å; K106-G108 VanDerWaalsContact C-N 3.27Å
107A95.5Very high96.7Very high12 Ų1227.4 Ų27.410%0.09913%0.133CC..Hα-helixtrans-77.6-9.9176.800000113.4L68 I71 R72 T75 S103 M104 I105L68-A107 HydrophobicContact CD2-CB 3.91Å; I71-A107 HydrophobicContact CB-CB 4.15Å; I71-A107 HydrophobicContact CG2-CB 3.59Å; I71-A107 WeakPolarHBondContact CG2-O 3.46Å; R72-A107 HydrophobicContact CG-CB 4.05Å; T75-A107 PolarHBondContact OG1-O 3Å; S103-A107 WeakPolarHBondContact O-CB 3.5Å; S103-A107 PolarHBondContact O-N 2.95Å; M104-A107 PolarHBondContact O-N 3.49Å; M104-A107 VanDerWaalsContact O-N 3.17Å; I105-A107 PolarHBondContact O-N 3.35Å
108G95.8Very high96.2Very high23 Ų2329.5 Ų29.524%0.23715%0.146CC..THydrogen-bonded Turntrans1037.1175.300000115.3M104 I105 K106M104-G108 PolarHBondContact O-N 3.42Å; I105-G108 PolarHBondContact O-N 3.19Å; K106-G108 VanDerWaalsContact C-N 3.27Å
109A98.1Very high95.2Very high2 Ų231.1 Ų31.12%0.01717%0.165CC..  trans-63.2149.5175.200000111.5I71 V84 M104 F153I71-A109 HydrophobicContact CD1-CB 4.46Å; I71-A109 HydrophobicContact CG2-CB 4.31Å; V84-A109 HydrophobicContact CG2-CB 3.82Å; M104-A109 HydrophobicContact CB-CB 4.19Å; M104-A109 WeakPolarHBondContact O-CB 3.33Å; M104-A109 PolarHBondContact O-N 2.94Å; M104-A109 VanDerWaalsContact O-N 3.08Å; A109-F153 HydrophobicContact CB-CE2 4.01Å; A109-F153 WeakPolarHBondContact O-CD2 3.46Å; A109-F153 VanDerWaalsContact O-CE2 3.3Å; A109-F153 WeakPolarHBondContact O-CE2 3.36Å
110A98.2Very high93.9Very high0 Ų027.7 Ų27.70%017%0.17CC..SBendtrans-93.1-26.8177.100000113.3P6 G7 F10 P81 L82 F153 V154P6-A110 VanDerWaalsContact C-CB 3.46Å; P6-A110 HydrophobicContact CB-CB 3.74Å; P6-A110 VanDerWaalsContact O-CB 3.27Å; P6-A110 WeakPolarHBondContact O-CB 3.29Å; G7-A110 WeakPolarHBondContact CA-O 3.3Å; F10-A110 HydrophobicContact CB-CB 4.02Å; P81-A110 HydrophobicContact CB-CB 3.5Å; P81-A110 VanDerWaalsContact CB-CB 3.5Å; L82-A110 PolarHBondContact O-N 3.27Å; A110-F153 VanDerWaalsContact C-CD2 3.48Å; A110-F153 VanDerWaalsContact O-CD2 3.3Å; A110-F153 WeakPolarHBondContact O-CD2 3.33Å; A110-V154 PolarHBondContact O-N 3.01Å; A110-V154 VanDerWaalsContact O-N 3.09Å
111G98.4Very high92.7Very high0 Ų027.9 Ų27.90%017%0.171CC..EExtended strand (participates in β ladder)trans-167172.8175.600000111.1L82 V84 V154L82-G111 PolarHBondContact O-N 2.86Å; V84-G111 PolarHBondContact N-O 3.34Å; G111-V154 CarbonylContact C-O 3.57Å; G111-V154 WeakPolarHBondContact CA-O 3.41Å
112L98.4Very high91.2Very high0 Ų033.3 Ų33.30%019%0.191CC..EExtended strand (participates in β ladder)trans-142.4161.3172.762.383.2000111V84 A86 V101 M104 I114 F153 V154 I155 M156V84-L112 CarbonylContact O-C 3.42Å; V84-L112 WeakPolarHBondContact O-CA 3.41Å; V84-L112 WeakPolarHBondContact O-CB 3.25Å; A86-L112 HydrophobicContact CB-CB 4.12Å; A86-L112 HydrophobicContact CB-CD1 3.99Å; A86-L112 HydrophobicContact CB-CD2 4.29Å; A86-L112 HydrophobicContact CB-CG 4.37Å; V101-L112 HydrophobicContact CB-CD2 4.5Å; V101-L112 HydrophobicContact CG2-CD2 4.02Å; M104-L112 HydrophobicContact CB-CD2 4.44Å; M104-L112 HydrophobicContact SD-CB 3.97Å; M104-L112 HydrophobicContact SD-CD2 3.53Å; M104-L112 VanDerWaalsContact SD-CD2 3.53Å; M104-L112 HydrophobicContact SD-CG 4.39Å; L112-I114 HydrophobicContact CD1-CD1 3.78Å; L112-I114 HydrophobicContact CD1-CG1 3.53Å; L112-F153 HydrophobicContact CB-CZ 4.24Å; L112-F153 HydrophobicContact CD2-CE1 3.68Å; L112-F153 HydrophobicContact CD2-CZ 3.75Å; L112-F153 HydrophobicContact CG-CE1 3.75Å; L112-F153 HydrophobicContact CG-CZ 3.91Å; L112-V154 PolarHBondContact N-O 3.3Å; L112-I155 HydrophobicContact CD1-CD1 4.21Å; L112-I155 HydrophobicContact CG-CD1 4.27Å; L112-M156 WeakPolarHBondContact O-CB 3.18Å; L112-M156 PolarHBondContact O-N 3.45Å
113H97.8Very high89.8Confident0 Ų030.5 Ų30.50%018%0.184CC..EExtended strand (participates in β ladder)trans-114.2144163.569.879.6000111.8Y43 V84 D85 A86 M156Y43-H113 AromaticContact CE2-CD2 3.89Å; Y43-H113 AromaticContact CE2-NE2 3.62Å; Y43-H113 AromaticContact CZ-NE2 3.7Å; Y43-H113 PolarHBondContact OH-NE2 3.35Å; V84-H113 PolarHBondContact O-N 3.43Å; D85-H113 IonicContact OD1-CE1 3.46Å; D85-H113 PolarHBondContact OD1-CE1 3.46Å; D85-H113 IonicContact OD1-ND1 3.48Å; D85-H113 IonicContact OD1-NE2 3.11Å; D85-H113 IonicContact OD2-CE1 3.57Å; D85-H113 IonicContact OD2-NE2 2.69Å; A86-H113 WeakPolarHBondContact CA-O 3.31Å; A86-H113 VanDerWaalsContact CB-O 3.28Å; A86-H113 WeakPolarHBondContact CB-O 3.33Å; A86-H113 PolarHBondContact N-O 2.82Å; H113-M156 WeakPolarHBondContact CA-O 3.16Å; H113-M156 HydrophobicContact CB-CB 3.79Å; H113-M156 HydrophobicContact CB-CG 3.89Å; H113-M156 HydrophobicContact CB-SD 3.97Å
114I95.6Very high88.1Confident1 Ų129.3 Ų29.31%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-119.6138.2175-65.1169000108.3A86 D87 V97 L112 M137 R140 A144 M156 R158A86-I114 HydrophobicContact CB-CG1 4.14Å; D87-I114 WeakPolarHBondContact O-CA 3.46Å; V97-I114 HydrophobicContact CG1-CD1 3.71Å; L112-I114 HydrophobicContact CD1-CD1 3.78Å; L112-I114 HydrophobicContact CD1-CG1 3.53Å; I114-M137 HydrophobicContact CB-CE 4.34Å; I114-M137 HydrophobicContact CG2-CE 4.01Å; I114-M137 HydrophobicContact CG2-SD 4.26Å; I114-M137 WeakPolarHBondContact O-CE 3.12Å; I114-R140 HydrophobicContact CG2-CB 4.39Å; I114-A144 HydrophobicContact CD1-CB 3.7Å; I114-M156 PolarHBondContact N-O 3.22Å; I114-M156 VanDerWaalsContact N-O 3.07Å; I114-R158 PolarHBondContact O-N 3.46Å
115E94Very high86.9Confident1 Ų131.6 Ų31.61%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-105153.7-176.774.7-168.5-171.100114.3D87 I88 Q117 K121 R140 R158D87-E115 PolarHBondContact O-N 3.31Å; I88-E115 HydrophobicContact CG2-CG 3.74Å; E115-Q117 HydrophobicContact CG-CB 4.02Å; E115-Q117 HydrophobicContact CG-CG 4.13Å; E115-Q117 PolarHBondContact O-N 3.38Å; E115-K121 WeakPolarHBondContact OE1-CD 3.42Å; E115-R140 PolarHBondContact O-NH1 3.09Å; E115-R158 WeakPolarHBondContact CA-O 3.43Å; E115-R158 HydrophobicContact CB-CB 4.06Å; E115-R158 HydrophobicContact CB-CG 4.07Å; E115-R158 IonicContact OE2-CZ 3.4Å; E115-R158 IonicContact OE2-NE 3.46Å; E115-R158 IonicContact OE2-NH1 2.65Å; E115-R158 PolarHBondContact OE2-NH1 3.24Å; E115-R158 IonicContact OE2-NH2 2.73Å
116D94.8Very high85.4Confident0 Ų038.4 Ų38.40%021%0.211CC..  trans-8413.117966.4-5.6000113.7I131 V132 M137 R158 T159 D160 R173 Y177D116-I131 CarbonylContact O-C 3.52Å; D116-I131 WeakPolarHBondContact O-CA 3.4Å; D116-I131 VanDerWaalsContact O-CB 3.23Å; D116-I131 WeakPolarHBondContact O-CB 3.16Å; D116-I131 WeakPolarHBondContact OD1-CG2 3.3Å; D116-V132 WeakPolarHBondContact O-CG2 3.35Å; D116-V132 PolarHBondContact O-N 2.88Å; D116-M137 HydrophobicContact CB-CB 4.01Å; D116-M137 HydrophobicContact CB-CE 4.46Å; D116-M137 HydrophobicContact CB-CG 3.71Å; D116-M137 HydrophobicContact CB-SD 4.01Å; D116-R158 PolarHBondContact N-O 2.96Å; D116-T159 PolarHBondContact OD2-OG1 2.58Å; D116-D160 PolarHBondContact OD1-N 2.84Å; D116-R173 IonicContact OD2-NH1 3.53Å; D116-R173 PolarHBondContact OD2-NH1 3.44Å; D116-Y177 PolarHBondContact OD2-OH 2.88Å
117Q91.3Very high84.1Confident1 Ų134 Ų341%0.00520%0.202CC..BIsolated β-bridgetrans-71.9159.7175.4-62.9-162.343.300112.9I88 E115 K121 R122 A130 I131 R140 D160I88-Q117 HydrophobicContact CG2-CB 4.29Å; I88-Q117 VanDerWaalsContact CG2-O 3.29Å; I88-Q117 WeakPolarHBondContact CG2-O 3.29Å; E115-Q117 HydrophobicContact CG-CB 4.02Å; E115-Q117 HydrophobicContact CG-CG 4.13Å; E115-Q117 PolarHBondContact O-N 3.38Å; Q117-K121 HydrophobicContact CB-CB 4.1Å; Q117-R122 PolarHBondContact NE2-O 3.22Å; Q117-R122 PolarHBondContact OE1-O 3.46Å; Q117-R122 VanDerWaalsContact OE1-O 3.1Å; Q117-A130 WeakPolarHBondContact CA-O 3.22Å; Q117-I131 HydrophobicContact CG-CG2 4.48Å; Q117-R140 PolarHBondContact O-NH1 3Å; Q117-R140 PolarHBondContact O-NH2 2.93Å; Q117-D160 HydrophobicContact CG-CB 4.21Å; Q117-D160 PolarHBondContact NE2-OD2 3.27Å
118V87Confident83.1Confident45 Ų4540 Ų4027%0.27323%0.232SC..  trans-71.5165.6168.1-60.70000111.8A120 K121 A130 V132V118-A120 VanDerWaalsContact C-N 3.3Å; V118-A120 PolarHBondContact O-N 2.96Å; V118-K121 PolarHBondContact O-N 3.24Å; V118-A130 HydrophobicContact CG1-CB 3.97Å; V118-A130 HydrophobicContact CG2-CB 3.78Å; V118-A130 PolarHBondContact N-O 3.01Å; V118-V132 HydrophobicContact CB-CG1 4.48Å; V118-V132 HydrophobicContact CG1-CG1 3.93Å
119G74.2Confident82.4Confident55 Ų5540 Ų4057%0.56723%0.225SC*.SBendtrans-47.1-44.5177.700000115.6K121G119-K121 PolarHBondContact O-N 3.02Å
120A70.5Confident81.8Confident85 Ų8542.2 Ų42.270%0.70224%0.244SC*.SBendtrans-83.762.9174.100000110.6V118V118-A120 VanDerWaalsContact C-N 3.3Å; V118-A120 PolarHBondContact O-N 2.96Å
121K71.2Confident81.6Confident8 Ų843.4 Ų43.44%0.03525%0.25CS..  trans-61.7158.7-176.168.6160.4-168.7143.50112.5D58 D87 E115 Q117 V118 G119D58-K121 WeakPolarHBondContact OD1-CE 3.34Å; D58-K121 IonicContact OD1-NZ 3.02Å; D58-K121 PolarHBondContact OD1-NZ 3.03Å; D58-K121 IonicContact OD2-NZ 3.74Å; D87-K121 HydrophobicContact CB-CD 4.17Å; D87-K121 VanDerWaalsContact CG-CE 3.44Å; D87-K121 VanDerWaalsContact OD1-CE 3.23Å; D87-K121 WeakPolarHBondContact OD1-CE 3.24Å; D87-K121 IonicContact OD1-NZ 2.82Å; D87-K121 PolarHBondContact OD1-NZ 2.99Å; D87-K121 IonicContact OD2-NZ 3.23Å; E115-K121 WeakPolarHBondContact OE1-CD 3.42Å; Q117-K121 HydrophobicContact CB-CB 4.1Å; V118-K121 PolarHBondContact O-N 3.24Å; G119-K121 PolarHBondContact O-N 3.02Å
122R66.8Low81.4Confident114 Ų11444 Ų4443%0.4325%0.254SS..  trans-127.1155.2171.5-68.5-175.4174.1-153.3-2.2110Q117 G124 P127 K129Q117-R122 PolarHBondContact NE2-O 3.22Å; Q117-R122 PolarHBondContact OE1-O 3.46Å; Q117-R122 VanDerWaalsContact OE1-O 3.1Å; R122-G124 PolarHBondContact O-N 3.31Å; R122-P127 PolarHBondContact NH1-O 3.14Å; R122-K129 HydrophobicContact CB-CG 4.35Å
123C68.9Low81.2Confident48 Ų4846.7 Ų46.732%0.32427%0.273SS..  trans-51.1131.5170.5177.20000111.3H125 R126C123-H125 PolarHBondContact O-N 2.86Å; C123-R126 HydrophobicContact CB-CG 4.3Å; C123-R126 PolarHBondContact O-N 3.03Å
124G61.8Low81.2Confident5 Ų549.5 Ų49.55%0.05229%0.285CS..THydrogen-bonded Turntrans-55.9-23.9-172.900000116.1R122 K129 R158 D160R122-G124 PolarHBondContact O-N 3.31Å; G124-K129 WeakPolarHBondContact O-CE 3.49Å; G124-K129 PolarHBondContact O-NZ 3.12Å; G124-R158 VanDerWaalsContact CA-NH2 3.29Å; G124-D160 WeakPolarHBondContact CA-OD1 3.3Å
125H72.4Confident81.2Confident48 Ų4854.8 Ų54.822%0.22231%0.31CS..THydrogen-bonded Turntrans-965.7177.9-60.3-72.8000114.2C123 E188 N210 T212 A216C123-H125 PolarHBondContact O-N 2.86Å; H125-E188 IonicContact CE1-OE1 2.94Å; H125-E188 PolarHBondContact CE1-OE1 2.92Å; H125-E188 IonicContact NE2-OE1 3.29Å; H125-E188 PolarHBondContact NE2-OE1 3.13Å; H125-N210 PolarHBondContact NE2-ND2 3.27Å; H125-T212 WeakPolarHBondContact NE2-CG2 3.48Å; H125-A216 PolarHBondContact ND1-N 3.47Å
126R67.1Low81.3Confident170 Ų17058 Ų5864%0.64233%0.325SS*.SBendtrans-97.3148.4175.2-73-165173.1-162.1-0.3112.1C123 K129C123-R126 HydrophobicContact CB-CG 4.3Å; C123-R126 PolarHBondContact O-N 3.03Å; R126-K129 WeakPolarHBondContact O-CG 3.34Å
127P68.1Low81.3Confident96 Ų9658 Ų5862%0.62333%0.325SS*.SBendtrans-71.3165176.428.9-34.4000112.9R122R122-P127 PolarHBondContact NH1-O 3.14Å
128N75.7Confident81.6Confident138 Ų13858.6 Ų58.674%0.73833%0.329SS*.SBendtrans64.545.4177.7-51.4-34000113.8
129K80.3Confident82Confident22 Ų2260.6 Ų60.610%0.09634%0.337CS..  trans-76149.8169.3-63.9178-63.8179.80109.8R122 G124 R126 D160 V164R122-K129 HydrophobicContact CB-CG 4.35Å; G124-K129 WeakPolarHBondContact O-CE 3.49Å; G124-K129 PolarHBondContact O-NZ 3.12Å; R126-K129 WeakPolarHBondContact O-CG 3.34Å; K129-D160 HydrophobicContact CD-CB 4.35Å; K129-D160 WeakPolarHBondContact CD-OD1 3.46Å; K129-D160 IonicContact NZ-OD1 3.58Å; K129-D160 PolarHBondContact NZ-OD1 3.21Å; K129-V164 HydrophobicContact CB-CG2 4.24Å
130A86.2Confident83Confident50 Ų5058.3 Ų58.341%0.41331%0.312SS..  trans-122.6135.4170.800000108.4Q117 V118Q117-A130 WeakPolarHBondContact CA-O 3.22Å; V118-A130 HydrophobicContact CG1-CB 3.97Å; V118-A130 HydrophobicContact CG2-CB 3.78Å; V118-A130 PolarHBondContact N-O 3.01Å
131I92.9Very high84.4Confident24 Ų2454.2 Ų54.212%0.12328%0.278CS..BIsolated β-bridgetrans-115.6149.4-179.754.9179.6000109.5D116 Q117 D160 A161 V164 E165D116-I131 CarbonylContact O-C 3.52Å; D116-I131 WeakPolarHBondContact O-CA 3.4Å; D116-I131 VanDerWaalsContact O-CB 3.23Å; D116-I131 WeakPolarHBondContact O-CB 3.16Å; D116-I131 WeakPolarHBondContact OD1-CG2 3.3Å; Q117-I131 HydrophobicContact CG-CG2 4.48Å; I131-D160 HydrophobicContact CG2-CB 4.03Å; I131-A161 HydrophobicContact CD1-CB 3.72Å; I131-V164 HydrophobicContact CD1-CB 3.99Å; I131-V164 HydrophobicContact CD1-CG1 4.07Å; I131-V164 HydrophobicContact CD1-CG2 4.47Å; I131-V164 HydrophobicContact CG1-CB 4.43Å; I131-V164 HydrophobicContact CG1-CG1 4.12Å; I131-E165 HydrophobicContact CD1-CG 3.92Å; I131-E165 WeakPolarHBondContact CD1-OE1 3.43Å
132V94.1Very high85.6Confident13 Ų1359.8 Ų59.88%0.07930%0.299CS..  trans-74.4170.4174.7-63.10000110.6D116 V118 E136 M137 R140 R173D116-V132 WeakPolarHBondContact O-CG2 3.35Å; D116-V132 PolarHBondContact O-N 2.88Å; V118-V132 HydrophobicContact CB-CG1 4.48Å; V118-V132 HydrophobicContact CG1-CG1 3.93Å; V132-E136 HydrophobicContact CB-CB 4.06Å; V132-E136 HydrophobicContact CB-CG 4.19Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.43Å; V132-E136 HydrophobicContact CG2-CB 3.99Å; V132-E136 HydrophobicContact CG2-CG 4.11Å; V132-M137 HydrophobicContact CG2-CB 4.14Å; V132-R140 VanDerWaalsContact CG1-NH2 3.32Å; V132-R173 PolarHBondContact O-NH1 3.02Å; V132-R173 PolarHBondContact O-NH2 3.19Å
133S95.2Very high87.1Confident57 Ų5754.9 Ų54.940%0.39928%0.283SS..  trans-60.5156.4174.872.80000111E135 E136 M137S133-E135 WeakPolarHBondContact CB-OE2 3.47Å; S133-E135 PolarHBondContact O-N 3.17Å; S133-E135 PolarHBondContact OG-OE2 3.4Å; S133-E136 PolarHBondContact O-N 3.18Å; S133-E136 PolarHBondContact OG-N 3.42Å; S133-E136 VanDerWaalsContact OG-N 3.16Å; S133-M137 PolarHBondContact O-N 3.06Å
134K96.4Very high88.5Confident58 Ų5852.6 Ų52.625%0.25227%0.268SS..Hα-helixtrans-55-42.2174.9-179.6175.259175.20110.8M137 V138 E172 R173 A176K134-M137 PolarHBondContact O-N 2.97Å; K134-V138 WeakPolarHBondContact O-CB 3.38Å; K134-V138 VanDerWaalsContact O-CG2 3.29Å; K134-V138 WeakPolarHBondContact O-CG2 3.28Å; K134-V138 PolarHBondContact O-N 3.29Å; K134-E172 IonicContact NZ-OE1 2.62Å; K134-E172 PolarHBondContact NZ-OE1 3.42Å; K134-R173 HydrophobicContact CB-CG 4.39Å; K134-R173 HydrophobicContact CD-CG 4.42Å; K134-R173 HydrophobicContact CG-CG 4.26Å; K134-A176 HydrophobicContact CD-CB 4.01Å; K134-A176 HydrophobicContact CG-CB 4.14Å
135E96.3Very high90.2Very high112 Ų11254.4 Ų54.452%0.52328%0.277SS..Hα-helixtrans-63.9-43.7-179.8-62.169.4-148.100111.9S133 M137 V138 D139S133-E135 WeakPolarHBondContact CB-OE2 3.47Å; S133-E135 PolarHBondContact O-N 3.17Å; S133-E135 PolarHBondContact OG-OE2 3.4Å; E135-M137 PolarHBondContact O-N 3.14Å; E135-V138 WeakPolarHBondContact O-CB 3.27Å; E135-V138 PolarHBondContact O-N 3.21Å; E135-D139 PolarHBondContact O-N 3.11Å
136E95Very high91.4Very high70 Ų7058.7 Ų58.733%0.32730%0.302SS..Hα-helixtrans-63.4-43.1178.7-174.8-178.6150.200111.2V132 S133 D139 R140V132-E136 HydrophobicContact CB-CB 4.06Å; V132-E136 HydrophobicContact CB-CG 4.19Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.43Å; V132-E136 HydrophobicContact CG2-CB 3.99Å; V132-E136 HydrophobicContact CG2-CG 4.11Å; S133-E136 PolarHBondContact O-N 3.18Å; S133-E136 PolarHBondContact OG-N 3.42Å; S133-E136 VanDerWaalsContact OG-N 3.16Å; E136-D139 PolarHBondContact O-N 3.2Å; E136-R140 WeakPolarHBondContact O-CG 3.39Å; E136-R140 PolarHBondContact O-N 3.01Å; E136-R140 IonicContact OE1-CZ 3.64Å; E136-R140 IonicContact OE1-NE 3.15Å; E136-R140 IonicContact OE1-NH2 3.97Å; E136-R140 PolarHBondContact OE1-NH2 3.19Å
137M95.8Very high92.8Very high0 Ų050.8 Ų50.80%027%0.273CS..Hα-helixtrans-67.6-38.8177.2-177.760177.300112.2I114 D116 V132 S133 K134 E135 D139 R140 I141 Y177I114-M137 HydrophobicContact CB-CE 4.34Å; I114-M137 HydrophobicContact CG2-CE 4.01Å; I114-M137 HydrophobicContact CG2-SD 4.26Å; I114-M137 WeakPolarHBondContact O-CE 3.12Å; D116-M137 HydrophobicContact CB-CB 4.01Å; D116-M137 HydrophobicContact CB-CE 4.46Å; D116-M137 HydrophobicContact CB-CG 3.71Å; D116-M137 HydrophobicContact CB-SD 4.01Å; V132-M137 HydrophobicContact CG2-CB 4.14Å; S133-M137 PolarHBondContact O-N 3.06Å; K134-M137 PolarHBondContact O-N 2.97Å; E135-M137 PolarHBondContact O-N 3.14Å; M137-D139 VanDerWaalsContact C-N 3.26Å; M137-D139 PolarHBondContact O-N 3.11Å; M137-R140 WeakPolarHBondContact O-CB 3.26Å; M137-R140 PolarHBondContact O-N 2.96Å; M137-R140 VanDerWaalsContact O-N 3.14Å; M137-R140 HydrophobicContact SD-CB 4.18Å; M137-I141 HydrophobicContact CE-CD1 3.78Å; M137-I141 HydrophobicContact CE-CG1 4.09Å; M137-I141 WeakPolarHBondContact O-CG1 3.35Å; M137-I141 PolarHBondContact O-N 3.06Å; M137-Y177 HydrophobicContact CB-CD1 4.43Å; M137-Y177 HydrophobicContact CB-CE1 3.57Å; M137-Y177 HydrophobicContact CG-CD1 3.92Å; M137-Y177 HydrophobicContact CG-CD2 4.42Å; M137-Y177 HydrophobicContact CG-CE1 3.36Å; M137-Y177 HydrophobicContact CG-CE2 3.89Å; M137-Y177 HydrophobicContact CG-CG 4.44Å
138V97.2Very high94.2Very high13 Ų1348.4 Ų48.48%0.07925%0.253CS..Hα-helixtrans-56.4-43172.4159.80000110.9K134 E135 I141 R142 A176 Y177 A180K134-V138 WeakPolarHBondContact O-CB 3.38Å; K134-V138 VanDerWaalsContact O-CG2 3.29Å; K134-V138 WeakPolarHBondContact O-CG2 3.28Å; K134-V138 PolarHBondContact O-N 3.29Å; E135-V138 WeakPolarHBondContact O-CB 3.27Å; E135-V138 PolarHBondContact O-N 3.21Å; V138-I141 PolarHBondContact O-N 3.42Å; V138-R142 WeakPolarHBondContact O-CG 3.4Å; V138-R142 PolarHBondContact O-N 3.41Å; V138-A176 HydrophobicContact CG2-CB 3.93Å; V138-Y177 HydrophobicContact CG2-CD1 3.93Å; V138-Y177 HydrophobicContact CG2-CE1 4.18Å; V138-A180 HydrophobicContact CB-CB 4.47Å; V138-A180 HydrophobicContact CG1-CB 3.96Å; V138-A180 HydrophobicContact CG2-CB 4.46Å
139D95.7Very high95.1Very high86 Ų8646.3 Ų46.346%0.4625%0.245SC..Hα-helixtrans-67.3-35.3177.5-73-16.6000112.5E135 E136 M137 R142 A143E135-D139 PolarHBondContact O-N 3.11Å; E136-D139 PolarHBondContact O-N 3.2Å; M137-D139 VanDerWaalsContact C-N 3.26Å; M137-D139 PolarHBondContact O-N 3.11Å; D139-R142 IonicContact OD1-NH1 3.07Å; D139-R142 PolarHBondContact OD1-NH1 2.92Å; D139-A143 VanDerWaalsContact O-CB 3.31Å; D139-A143 WeakPolarHBondContact O-CB 3.25Å; D139-A143 PolarHBondContact O-N 3.43Å
140R96.3Very high95.8Very high7 Ų746.3 Ų46.33%0.02625%0.246CC..Hα-helixtrans-61-45.9171.3-66.5174.7-170.9179.7-1.4111.3V97 I114 E115 Q117 V132 E136 M137 A143 A144V97-R140 WeakPolarHBondContact CG1-O 3.35Å; V97-R140 HydrophobicContact CG2-CB 4.35Å; V97-R140 HydrophobicContact CG2-CG 4.27Å; I114-R140 HydrophobicContact CG2-CB 4.39Å; E115-R140 PolarHBondContact O-NH1 3.09Å; Q117-R140 PolarHBondContact O-NH1 3Å; Q117-R140 PolarHBondContact O-NH2 2.93Å; V132-R140 VanDerWaalsContact CG1-NH2 3.32Å; E136-R140 WeakPolarHBondContact O-CG 3.39Å; E136-R140 PolarHBondContact O-N 3.01Å; E136-R140 IonicContact OE1-CZ 3.64Å; E136-R140 IonicContact OE1-NE 3.15Å; E136-R140 IonicContact OE1-NH2 3.97Å; E136-R140 PolarHBondContact OE1-NH2 3.19Å; M137-R140 WeakPolarHBondContact O-CB 3.26Å; M137-R140 PolarHBondContact O-N 2.96Å; M137-R140 VanDerWaalsContact O-N 3.14Å; M137-R140 HydrophobicContact SD-CB 4.18Å; R140-A143 PolarHBondContact O-N 2.85Å; R140-A144 WeakPolarHBondContact O-CB 3.49Å; R140-A144 PolarHBondContact O-N 2.9Å
141I98Very high96.2Very high0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-62.9-47.7178.9-64.6-58.8000111M137 V138 A143 A144 V145 I155 A157 A180 A182M137-I141 HydrophobicContact CE-CD1 3.78Å; M137-I141 HydrophobicContact CE-CG1 4.09Å; M137-I141 WeakPolarHBondContact O-CG1 3.35Å; M137-I141 PolarHBondContact O-N 3.06Å; V138-I141 PolarHBondContact O-N 3.42Å; I141-A143 VanDerWaalsContact C-N 3.32Å; I141-A143 PolarHBondContact O-N 3.24Å; I141-A144 WeakPolarHBondContact O-CB 3.41Å; I141-A144 PolarHBondContact O-N 3.45Å; I141-A144 VanDerWaalsContact O-N 3.09Å; I141-V145 HydrophobicContact CG2-CG2 4.28Å; I141-V145 WeakPolarHBondContact O-CG2 3.25Å; I141-V145 PolarHBondContact O-N 3.1Å; I141-I155 HydrophobicContact CD1-CG2 4.39Å; I141-A157 HydrophobicContact CD1-CB 3.75Å; I141-A157 HydrophobicContact CG1-CB 4.33Å; I141-A180 HydrophobicContact CB-CB 4.05Å; I141-A180 HydrophobicContact CG2-CB 3.79Å; I141-A182 HydrophobicContact CG2-CB 3.96Å
142R97.7Very high96.4Very high124 Ų12450.3 Ų50.347%0.46827%0.266SS..Hα-helixtrans-56.7-46.9176.1-71.2176.9-176.9144.1-1.1111.7V138 D139 A144 V145 D146 A180V138-R142 WeakPolarHBondContact O-CG 3.4Å; V138-R142 PolarHBondContact O-N 3.41Å; D139-R142 IonicContact OD1-NH1 3.07Å; D139-R142 PolarHBondContact OD1-NH1 2.92Å; R142-A144 VanDerWaalsContact C-N 3.27Å; R142-A144 PolarHBondContact O-N 2.66Å; R142-V145 PolarHBondContact O-N 2.9Å; R142-D146 WeakPolarHBondContact O-CB 3.42Å; R142-D146 PolarHBondContact O-N 3.44Å; R142-A180 HydrophobicContact CG-CB 4.08Å
143A97.4Very high96.6Very high12 Ų1249.7 Ų49.710%0.09926%0.263CS..Hα-helixtrans-61.2-35.2177.700000112.8A94 V97 D139 R140 I141 A147A94-A143 HydrophobicContact CB-CB 3.71Å; V97-A143 HydrophobicContact CB-CB 4.17Å; V97-A143 HydrophobicContact CG1-CB 4.19Å; D139-A143 VanDerWaalsContact O-CB 3.31Å; D139-A143 WeakPolarHBondContact O-CB 3.25Å; D139-A143 PolarHBondContact O-N 3.43Å; R140-A143 PolarHBondContact O-N 2.85Å; I141-A143 VanDerWaalsContact C-N 3.32Å; I141-A143 PolarHBondContact O-N 3.24Å; A143-A147 VanDerWaalsContact O-CB 3.23Å; A143-A147 WeakPolarHBondContact O-CB 3.45Å; A143-A147 PolarHBondContact O-N 3.49Å
144A97.9Very high96.7Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-70.2-44.2176.400000112.1V97 V101 I114 R140 I141 R142 A147 I155V97-A144 HydrophobicContact CG1-CB 3.74Å; V101-A144 HydrophobicContact CG2-CB 3.77Å; I114-A144 HydrophobicContact CD1-CB 3.7Å; R140-A144 WeakPolarHBondContact O-CB 3.49Å; R140-A144 PolarHBondContact O-N 2.9Å; I141-A144 WeakPolarHBondContact O-CB 3.41Å; I141-A144 PolarHBondContact O-N 3.45Å; I141-A144 VanDerWaalsContact O-N 3.09Å; R142-A144 VanDerWaalsContact C-N 3.27Å; R142-A144 PolarHBondContact O-N 2.66Å; A144-A147 PolarHBondContact O-N 3.27Å; A144-I155 HydrophobicContact CB-CD1 4.06Å; A144-I155 HydrophobicContact CB-CG1 4.42Å; A144-I155 HydrophobicContact CB-CG2 4.04Å
145V98Very high96.8Very high42 Ų4244.2 Ų44.226%0.25523%0.232SC..Hα-helixtrans-63.4-48.3178173.10000110.8I141 R142 A147 K148 I155 G181I141-V145 HydrophobicContact CG2-CG2 4.28Å; I141-V145 WeakPolarHBondContact O-CG2 3.25Å; I141-V145 PolarHBondContact O-N 3.1Å; R142-V145 PolarHBondContact O-N 2.9Å; V145-A147 PolarHBondContact O-N 3Å; V145-A147 VanDerWaalsContact O-N 3.17Å; V145-K148 WeakPolarHBondContact O-CB 3.49Å; V145-K148 WeakPolarHBondContact O-CG 3.37Å; V145-K148 PolarHBondContact O-N 3.35Å; V145-I155 HydrophobicContact CG2-CB 4.39Å; V145-I155 HydrophobicContact CG2-CG1 4.29Å; V145-I155 HydrophobicContact CG2-CG2 4.35Å; V145-G181 WeakPolarHBondContact CG2-O 3.28Å
146D97.6Very high96.9Very high139 Ų13938.9 Ų38.974%0.74321%0.207SC*.Hα-helixtrans-63.3-22.6179.2-73-15.9000112.9R142R142-D146 WeakPolarHBondContact O-CB 3.42Å; R142-D146 PolarHBondContact O-N 3.44Å
147A97.3Very high97.1Very high3 Ų335.5 Ų35.53%0.02519%0.191CC..THydrogen-bonded Turntrans-86.7-7.5-17800000114.6A98 V101 K102 A143 A144 V145 T149A98-A147 VanDerWaalsContact CA-CB 3.47Å; A98-A147 HydrophobicContact CB-CB 3.66Å; V101-A147 HydrophobicContact CB-CB 3.93Å; V101-A147 HydrophobicContact CG1-CB 4.13Å; V101-A147 HydrophobicContact CG2-CB 4.39Å; K102-A147 WeakPolarHBondContact CE-O 3.39Å; K102-A147 HydrophobicContact CG-CB 4.45Å; K102-A147 WeakPolarHBondContact CG-O 3.36Å; A143-A147 VanDerWaalsContact O-CB 3.23Å; A143-A147 WeakPolarHBondContact O-CB 3.45Å; A143-A147 PolarHBondContact O-N 3.49Å; A144-A147 PolarHBondContact O-N 3.27Å; V145-A147 PolarHBondContact O-N 3Å; V145-A147 VanDerWaalsContact O-N 3.17Å; A147-T149 PolarHBondContact O-N 3.3Å
148K97.5Very high97.1Very high47 Ų4736.1 Ų36.120%0.20419%0.193CC..  trans-57.9118.1-179.1-73.9173.462.9164.40111.2V145 D150 P151 F153 I155 E183V145-K148 WeakPolarHBondContact O-CB 3.49Å; V145-K148 WeakPolarHBondContact O-CG 3.37Å; V145-K148 PolarHBondContact O-N 3.35Å; K148-D150 WeakPolarHBondContact CE-O 3.19Å; K148-P151 WeakPolarHBondContact CE-O 3.17Å; K148-P151 PolarHBondContact NZ-O 3.42Å; K148-F153 WeakPolarHBondContact CE-O 3.24Å; K148-F153 HydrophobicContact CG-CD1 4.48Å; K148-F153 PolarHBondContact NZ-O 2.58Å; K148-I155 HydrophobicContact CD-CG1 4.06Å; K148-I155 HydrophobicContact CG-CG1 4.37Å; K148-E183 IonicContact NZ-OE1 2.72Å; K148-E183 PolarHBondContact NZ-OE1 3.46Å; K148-E183 IonicContact NZ-OE2 3.84Å; K148-E183 PolarHBondContact NZ-OE2 3.12Å
149T94.6Very high97.1Very high94 Ų9435.6 Ų35.658%0.57719%0.19SC*.SBendtrans-94.5-16168.253.40000112.6K102 I105 A147K102-T149 HydrophobicContact CG-CG2 4.16Å; I105-T149 WeakPolarHBondContact CG2-OG1 3.33Å; A147-T149 PolarHBondContact O-N 3.3Å
150D94.5Very high97Very high22 Ų2231.5 Ų31.512%0.11817%0.168CC..SBendtrans-109.9116.2166.3174.24.3000107.7S5 I105 K148 D152 F153S5-D150 WeakPolarHBondContact CB-OD2 3.26Å; S5-D150 VanDerWaalsContact OG-CG 3.31Å; S5-D150 PolarHBondContact OG-OD1 2.8Å; S5-D150 PolarHBondContact OG-OD2 2.72Å; I105-D150 HydrophobicContact CG2-CB 4.05Å; K148-D150 WeakPolarHBondContact CE-O 3.19Å; D150-D152 PolarHBondContact O-N 3.42Å; D150-D152 PolarHBondContact OD1-N 3.06Å; D150-F153 HydrophobicContact CB-CB 4.11Å; D150-F153 WeakPolarHBondContact O-CB 3.38Å; D150-F153 PolarHBondContact O-N 2.81Å; D150-F153 VanDerWaalsContact O-N 3.16Å
151P94.9Very high97Very high104 Ų10431.1 Ų31.168%0.67517%0.167SC*.THydrogen-bonded Turntrans-61.9-25.1-178.526-34.6000112.9K148K148-P151 WeakPolarHBondContact CE-O 3.17Å; K148-P151 PolarHBondContact NZ-O 3.42Å
152D96.5Very high96.8Very high53 Ų5332.6 Ų32.628%0.28317%0.174SC..THydrogen-bonded Turntrans-87.5-10.6-179.3-70.4-53.6000113.2S5 G7 K8 R11 D150 V154S5-D152 WeakPolarHBondContact OG-CB 3.48Å; G7-D152 CarbonylContact C-O 3.6Å; G7-D152 WeakPolarHBondContact CA-O 3.2Å; K8-D152 HydrophobicContact CB-CB 4.05Å; R11-D152 PolarHBondContact NE-O 3.11Å; R11-D152 VanDerWaalsContact NE-O 3.1Å; R11-D152 PolarHBondContact NH2-O 2.95Å; D150-D152 PolarHBondContact O-N 3.42Å; D150-D152 PolarHBondContact OD1-N 3.06Å; D152-V154 PolarHBondContact O-N 3.2Å
153F97.9Very high96.4Very high0 Ų030.2 Ų30.20%018%0.181CC..  trans-58131.6179.1-174.5-99.6000111.4V101 M104 I105 A109 A110 L112 K148 D150 I155V101-F153 HydrophobicContact CG1-CD1 4.28Å; V101-F153 HydrophobicContact CG1-CE1 4.08Å; M104-F153 HydrophobicContact CB-CZ 4.47Å; I105-F153 HydrophobicContact CD1-CB 4.12Å; I105-F153 HydrophobicContact CD1-CD1 4Å; I105-F153 HydrophobicContact CD1-CD2 4.29Å; I105-F153 HydrophobicContact CD1-CE1 4.49Å; I105-F153 HydrophobicContact CD1-CG 3.88Å; I105-F153 HydrophobicContact CG1-CB 4.17Å; I105-F153 HydrophobicContact CG1-CD1 3.92Å; I105-F153 HydrophobicContact CG1-CD2 3.47Å; I105-F153 VanDerWaalsContact CG1-CD2 3.47Å; I105-F153 HydrophobicContact CG1-CE1 4.13Å; I105-F153 HydrophobicContact CG1-CE2 3.69Å; I105-F153 HydrophobicContact CG1-CG 3.58Å; I105-F153 HydrophobicContact CG1-CZ 4.02Å; A109-F153 HydrophobicContact CB-CE2 4.01Å; A109-F153 WeakPolarHBondContact O-CD2 3.46Å; A109-F153 VanDerWaalsContact O-CE2 3.3Å; A109-F153 WeakPolarHBondContact O-CE2 3.36Å; A110-F153 VanDerWaalsContact C-CD2 3.48Å; A110-F153 VanDerWaalsContact O-CD2 3.3Å; A110-F153 WeakPolarHBondContact O-CD2 3.33Å; L112-F153 HydrophobicContact CB-CZ 4.24Å; L112-F153 HydrophobicContact CD2-CE1 3.68Å; L112-F153 HydrophobicContact CD2-CZ 3.75Å; L112-F153 HydrophobicContact CG-CE1 3.75Å; L112-F153 HydrophobicContact CG-CZ 3.91Å; K148-F153 WeakPolarHBondContact CE-O 3.24Å; K148-F153 HydrophobicContact CG-CD1 4.48Å; K148-F153 PolarHBondContact NZ-O 2.58Å; D150-F153 HydrophobicContact CB-CB 4.11Å; D150-F153 WeakPolarHBondContact O-CB 3.38Å; D150-F153 PolarHBondContact O-N 2.81Å; D150-F153 VanDerWaalsContact O-N 3.16Å; F153-I155 HydrophobicContact CD1-CD1 3.78Å; F153-I155 HydrophobicContact CE1-CD1 3.73Å
154V98.2Very high96.1Very high0 Ų032.8 Ų32.80%020%0.195CC..EExtended strand (participates in β ladder)trans-88.4126-172.1173.60000111.3F10 A110 G111 L112 D152 M184F10-V154 HydrophobicContact CD1-CG2 3.95Å; A110-V154 PolarHBondContact O-N 3.01Å; A110-V154 VanDerWaalsContact O-N 3.09Å; G111-V154 CarbonylContact C-O 3.57Å; G111-V154 WeakPolarHBondContact CA-O 3.41Å; L112-V154 PolarHBondContact N-O 3.3Å; D152-V154 PolarHBondContact O-N 3.2Å; V154-M184 HydrophobicContact CG1-CE 3.73Å; V154-M184 HydrophobicContact CG1-CG 3.99Å; V154-M184 HydrophobicContact CG1-SD 3.57Å; V154-M184 VanDerWaalsContact CG1-SD 3.57Å; V154-M184 HydrophobicContact CG2-CE 3.95Å
155I98.6Very high95.9Very high0 Ų037.2 Ų37.20%022%0.216CC..EExtended strand (participates in β ladder)trans-102.5114.9167.1-56.6-57.2000109.5V101 L112 I141 A144 V145 K148 F153 E183V101-I155 HydrophobicContact CG1-CD1 4.4Å; V101-I155 HydrophobicContact CG2-CD1 4.4Å; L112-I155 HydrophobicContact CD1-CD1 4.21Å; L112-I155 HydrophobicContact CG-CD1 4.27Å; I141-I155 HydrophobicContact CD1-CG2 4.39Å; A144-I155 HydrophobicContact CB-CD1 4.06Å; A144-I155 HydrophobicContact CB-CG1 4.42Å; A144-I155 HydrophobicContact CB-CG2 4.04Å; V145-I155 HydrophobicContact CG2-CB 4.39Å; V145-I155 HydrophobicContact CG2-CG1 4.29Å; V145-I155 HydrophobicContact CG2-CG2 4.35Å; K148-I155 HydrophobicContact CD-CG1 4.06Å; K148-I155 HydrophobicContact CG-CG1 4.37Å; F153-I155 HydrophobicContact CD1-CD1 3.78Å; F153-I155 HydrophobicContact CE1-CD1 3.73Å; I155-E183 PolarHBondContact N-OE2 2.74Å; I155-E183 VanDerWaalsContact N-OE2 3.13Å; I155-E183 PolarHBondContact O-N 2.95Å
156M98.6Very high95.7Very high0 Ų036.5 Ų36.50%022%0.218CC..EExtended strand (participates in β ladder)trans-106.3131.1176.3179.6-178.1-69.600110.3L83 L112 H113 I114 M184 F186 L208 M232L83-M156 HydrophobicContact CD2-CE 4.07Å; L83-M156 HydrophobicContact CD2-SD 4.41Å; L112-M156 WeakPolarHBondContact O-CB 3.18Å; L112-M156 PolarHBondContact O-N 3.45Å; H113-M156 WeakPolarHBondContact CA-O 3.16Å; H113-M156 HydrophobicContact CB-CB 3.79Å; H113-M156 HydrophobicContact CB-CG 3.89Å; H113-M156 HydrophobicContact CB-SD 3.97Å; I114-M156 PolarHBondContact N-O 3.22Å; I114-M156 VanDerWaalsContact N-O 3.07Å; M156-M184 WeakPolarHBondContact CA-O 3.41Å; M156-M184 HydrophobicContact CB-CB 4.1Å; M156-M184 HydrophobicContact CE-CB 3.74Å; M156-M184 HydrophobicContact CE-CG 4.42Å; M156-M184 HydrophobicContact CE-SD 3.89Å; M156-M184 HydrophobicContact CG-CB 3.98Å; M156-F186 HydrophobicContact CG-CB 4.17Å; M156-F186 HydrophobicContact SD-CB 3.79Å; M156-L208 HydrophobicContact CE-CB 4.13Å; M156-L208 HydrophobicContact CE-CD1 3.85Å; M156-L208 HydrophobicContact SD-CB 4.19Å; M156-L208 HydrophobicContact SD-CD1 3.98Å; M156-M232 HydrophobicContact CE-CE 3.79Å; M156-M232 HydrophobicContact CE-SD 3.89Å
157A98.3Very high95.7Very high0 Ų031.5 Ų31.50%019%0.191CC..EExtended strand (participates in β ladder)trans-90.7126.4172.200000109.7I141 Y177 A182 M184 L185 F186I141-A157 HydrophobicContact CD1-CB 3.75Å; I141-A157 HydrophobicContact CG1-CB 4.33Å; A157-Y177 HydrophobicContact CB-CD2 3.89Å; A157-Y177 HydrophobicContact CB-CG 4.11Å; A157-A182 HydrophobicContact CB-CB 3.67Å; A157-M184 PolarHBondContact N-O 3.48Å; A157-L185 HydrophobicContact CB-CD1 4.35Å; A157-L185 CarbonylContact O-C 3.52Å; A157-L185 WeakPolarHBondContact O-CA 3.39Å; A157-F186 PolarHBondContact O-N 3.05Å
158R97.3Very high95.6Very high13 Ų1337.5 Ų37.55%0.04922%0.222CC..EExtended strand (participates in β ladder)trans-99.9134.7169.5176.2-177.8160.8177.813.9109.6I114 E115 D116 G124 D160 F186 E188I114-R158 PolarHBondContact O-N 3.46Å; E115-R158 WeakPolarHBondContact CA-O 3.43Å; E115-R158 HydrophobicContact CB-CB 4.06Å; E115-R158 HydrophobicContact CB-CG 4.07Å; E115-R158 IonicContact OE2-CZ 3.4Å; E115-R158 IonicContact OE2-NE 3.46Å; E115-R158 IonicContact OE2-NH1 2.65Å; E115-R158 PolarHBondContact OE2-NH1 3.24Å; E115-R158 IonicContact OE2-NH2 2.73Å; D116-R158 PolarHBondContact N-O 2.96Å; G124-R158 VanDerWaalsContact CA-NH2 3.29Å; R158-D160 IonicContact CZ-OD2 3.23Å; R158-D160 IonicContact NE-OD2 3.64Å; R158-D160 PolarHBondContact NE-OD2 3.4Å; R158-D160 IonicContact NH2-OD1 3.54Å; R158-D160 PolarHBondContact NH2-OD1 2.95Å; R158-D160 IonicContact NH2-OD2 3.56Å; R158-D160 PolarHBondContact NH2-OD2 2.73Å; R158-F186 VanDerWaalsContact CA-O 3.25Å; R158-F186 WeakPolarHBondContact CA-O 3.31Å; R158-F186 HydrophobicContact CB-CB 4.13Å; R158-F186 HydrophobicContact CB-CD1 4.09Å; R158-F186 HydrophobicContact CB-CG 4.29Å; R158-F186 HydrophobicContact CG-CB 4.37Å; R158-F186 HydrophobicContact CG-CD1 3.87Å; R158-F186 HydrophobicContact CG-CE1 4.26Å; R158-F186 HydrophobicContact CG-CG 4.05Å; R158-E188 IonicContact CZ-OE2 3.48Å; R158-E188 IonicContact NE-OE2 3.95Å; R158-E188 PolarHBondContact NE-OE2 3.32Å; R158-E188 IonicContact NH1-OE2 3.56Å; R158-E188 IonicContact NH2-OE2 3.21Å; R158-E188 PolarHBondContact NH2-OE2 2.82Å
159T96.4Very high95.6Very high1 Ų136.6 Ų36.61%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-123.5129.6173-173.50000111.8D116 A161 F186 P187 E188D116-T159 PolarHBondContact OD2-OG1 2.58Å; T159-A161 VanDerWaalsContact OG1-CB 3.28Å; T159-A161 WeakPolarHBondContact OG1-CB 3.29Å; T159-A161 PolarHBondContact OG1-N 2.6Å; T159-F186 PolarHBondContact N-O 2.98Å; T159-P187 HydrophobicContact CG2-CB 4.38Å; T159-E188 WeakPolarHBondContact O-CB 3.47Å; T159-E188 PolarHBondContact O-N 3.27Å
160D94.5Very high95.7Very high0 Ų032.1 Ų32.10%020%0.196CC..  trans-97.96.5173.7-83.2-93.5000112.1D116 Q117 G124 K129 I131 R158 L162 E188D116-D160 PolarHBondContact OD1-N 2.84Å; Q117-D160 HydrophobicContact CG-CB 4.21Å; Q117-D160 PolarHBondContact NE2-OD2 3.27Å; G124-D160 WeakPolarHBondContact CA-OD1 3.3Å; K129-D160 HydrophobicContact CD-CB 4.35Å; K129-D160 WeakPolarHBondContact CD-OD1 3.46Å; K129-D160 IonicContact NZ-OD1 3.58Å; K129-D160 PolarHBondContact NZ-OD1 3.21Å; I131-D160 HydrophobicContact CG2-CB 4.03Å; R158-D160 IonicContact CZ-OD2 3.23Å; R158-D160 IonicContact NE-OD2 3.64Å; R158-D160 PolarHBondContact NE-OD2 3.4Å; R158-D160 IonicContact NH2-OD1 3.54Å; R158-D160 PolarHBondContact NH2-OD1 2.95Å; R158-D160 IonicContact NH2-OD2 3.56Å; R158-D160 PolarHBondContact NH2-OD2 2.73Å; D160-L162 VanDerWaalsContact C-N 3.34Å; D160-L162 PolarHBondContact O-N 3.31Å; D160-E188 WeakPolarHBondContact OD1-CG 3.49Å
161A95.1Very high95.9Very high0 Ų032.1 Ų32.10%020%0.196CC..THydrogen-bonded Turntrans-66.2-25.4-171.600000115I131 T159 A163 V164 E165 G166 A170 R173I131-A161 HydrophobicContact CD1-CB 3.72Å; T159-A161 VanDerWaalsContact OG1-CB 3.28Å; T159-A161 WeakPolarHBondContact OG1-CB 3.29Å; T159-A161 PolarHBondContact OG1-N 2.6Å; A161-A163 VanDerWaalsContact C-N 3.27Å; A161-A163 PolarHBondContact O-N 3.25Å; A161-V164 PolarHBondContact O-N 3.16Å; A161-E165 PolarHBondContact O-N 2.81Å; A161-G166 PolarHBondContact O-N 2.95Å; A161-A170 HydrophobicContact CB-CB 3.81Å; A161-R173 VanDerWaalsContact CB-CD 3.48Å
162L94.5Very high96Very high30 Ų3032 Ų3216%0.15719%0.186CC..Hα-helixtrans-54.6-44.9-179175.963.6000111.9D160 V164 G166 L167 A170 I190 M195D160-L162 VanDerWaalsContact C-N 3.34Å; D160-L162 PolarHBondContact O-N 3.31Å; L162-V164 VanDerWaalsContact C-N 3.29Å; L162-V164 PolarHBondContact O-N 3.4Å; L162-G166 WeakPolarHBondContact O-CA 3.28Å; L162-G166 PolarHBondContact O-N 3.45Å; L162-L167 HydrophobicContact CD1-CB 3.85Å; L162-L167 HydrophobicContact CD1-CD1 4.04Å; L162-A170 HydrophobicContact CB-CB 4.36Å; L162-I190 HydrophobicContact CD2-CD1 3.48Å; L162-I190 VanDerWaalsContact CD2-CD1 3.48Å; L162-M195 HydrophobicContact CD2-SD 4.19Å
163A89.2Confident96.1Very high74 Ų7430 Ų3061%0.61218%0.175SC*.Hα-helixtrans-78.1-12.7-178.400000113.8A161A161-A163 VanDerWaalsContact C-N 3.27Å; A161-A163 PolarHBondContact O-N 3.25Å
164V90.5Very high96.1Very high66 Ų6630 Ų3040%0.418%0.175SC..Hα-helixtrans-108.9-46.9-172.9-176.30000111.6K129 I131 A161 L162K129-V164 HydrophobicContact CB-CG2 4.24Å; I131-V164 HydrophobicContact CD1-CB 3.99Å; I131-V164 HydrophobicContact CD1-CG1 4.07Å; I131-V164 HydrophobicContact CD1-CG2 4.47Å; I131-V164 HydrophobicContact CG1-CB 4.43Å; I131-V164 HydrophobicContact CG1-CG1 4.12Å; A161-V164 PolarHBondContact O-N 3.16Å; L162-V164 VanDerWaalsContact C-N 3.29Å; L162-V164 PolarHBondContact O-N 3.4Å
165E93.8Very high96.1Very high93 Ų9334.4 Ų34.444%0.43520%0.195SC..Hα-helixtrans-116.6-9.4-172.5-62.4176.9179.200112.7I131 A161 A169 R173I131-E165 HydrophobicContact CD1-CG 3.92Å; I131-E165 WeakPolarHBondContact CD1-OE1 3.43Å; A161-E165 PolarHBondContact O-N 2.81Å; E165-A169 HydrophobicContact CB-CB 3.6Å; E165-R173 IonicContact OE1-CZ 3.59Å; E165-R173 IonicContact OE1-NE 2.73Å; E165-R173 IonicContact OE1-NH2 3.27Å; E165-R173 PolarHBondContact OE1-NH2 3.14Å; E165-R173 IonicContact OE2-CZ 2.79Å; E165-R173 IonicContact OE2-NE 2.82Å; E165-R173 PolarHBondContact OE2-NE 3.39Å; E165-R173 IonicContact OE2-NH2 3.54Å
166G94.8Very high96.1Very high28 Ų2835.3 Ų35.329%0.28920%0.203SC..  trans90.4176.3-178.500000113.9A161 L162 A170A161-G166 PolarHBondContact O-N 2.95Å; L162-G166 WeakPolarHBondContact O-CA 3.28Å; L162-G166 PolarHBondContact O-N 3.45Å; G166-A170 WeakPolarHBondContact O-CB 3.4Å; G166-A170 PolarHBondContact O-N 3.3Å; G166-A170 VanDerWaalsContact O-N 3.1Å
167L96Very high96.1Very high33 Ų3335.3 Ų35.317%0.17320%0.203CC..Hα-helixtrans-65.1-49.2-170.4-179.462.8000113.2L162 A169 A170 I171 M195 Q198 F199L162-L167 HydrophobicContact CD1-CB 3.85Å; L162-L167 HydrophobicContact CD1-CD1 4.04Å; L167-A169 PolarHBondContact O-N 2.9Å; L167-A170 PolarHBondContact O-N 3.33Å; L167-I171 HydrophobicContact CD1-CD1 3.98Å; L167-I171 HydrophobicContact CD1-CG1 4.24Å; L167-I171 HydrophobicContact CG-CD1 3.93Å; L167-I171 WeakPolarHBondContact O-CG1 3.49Å; L167-I171 PolarHBondContact O-N 3.01Å; L167-M195 HydrophobicContact CD1-CB 4.32Å; L167-M195 HydrophobicContact CD1-CG 4.44Å; L167-M195 HydrophobicContact CD2-CG 4.27Å; L167-Q198 VanDerWaalsContact CD2-OE1 3.31Å; L167-F199 HydrophobicContact CD1-CD2 4.16Å; L167-F199 HydrophobicContact CD1-CE2 3.5Å; L167-F199 VanDerWaalsContact CD1-CE2 3.5Å; L167-F199 HydrophobicContact CD1-CZ 4.08Å
168D96.7Very high96.1Very high130 Ų13037 Ų3770%0.69521%0.213SC*.Hα-helixtrans-62.8-43.8-175.2-64.4-25.1000111.5A170 I171 E172D168-A170 PolarHBondContact O-N 3.13Å; D168-I171 PolarHBondContact O-N 3.06Å; D168-E172 PolarHBondContact O-N 3.35Å
169A96.5Very high96.2Very high27 Ų2744.7 Ų44.722%0.22325%0.249CC..Hα-helixtrans-64.9-38.4175.900000112.2E165 L167 E172 R173E165-A169 HydrophobicContact CB-CB 3.6Å; L167-A169 PolarHBondContact O-N 2.9Å; A169-E172 PolarHBondContact O-N 3.27Å; A169-R173 WeakPolarHBondContact O-CB 3.26Å; A169-R173 WeakPolarHBondContact O-CG 3.37Å; A169-R173 PolarHBondContact O-N 3.41Å
170A97.4Very high96.2Very high0 Ų045.1 Ų45.10%025%0.253CS..Hα-helixtrans-66.1-37.2175.600000112.3A161 L162 G166 L167 D168 A174 F199A161-A170 HydrophobicContact CB-CB 3.81Å; L162-A170 HydrophobicContact CB-CB 4.36Å; G166-A170 WeakPolarHBondContact O-CB 3.4Å; G166-A170 PolarHBondContact O-N 3.3Å; G166-A170 VanDerWaalsContact O-N 3.1Å; L167-A170 PolarHBondContact O-N 3.33Å; D168-A170 PolarHBondContact O-N 3.13Å; A170-A174 WeakPolarHBondContact O-CB 3.29Å; A170-A174 PolarHBondContact O-N 3.4Å; A170-F199 HydrophobicContact CB-CE1 4.23Å; A170-F199 HydrophobicContact CB-CZ 3.73Å
171I97.9Very high96.4Very high23 Ų2346.4 Ų46.412%0.11827%0.267CS..Hα-helixtrans-66-45.1173.7-70.9171.4000110.6L167 D168 R173 A174 Q175 Q198 F199 A202L167-I171 HydrophobicContact CD1-CD1 3.98Å; L167-I171 HydrophobicContact CD1-CG1 4.24Å; L167-I171 HydrophobicContact CG-CD1 3.93Å; L167-I171 WeakPolarHBondContact O-CG1 3.49Å; L167-I171 PolarHBondContact O-N 3.01Å; D168-I171 PolarHBondContact O-N 3.06Å; I171-R173 VanDerWaalsContact C-N 3.33Å; I171-R173 PolarHBondContact O-N 3.44Å; I171-A174 WeakPolarHBondContact O-CB 3.39Å; I171-A174 PolarHBondContact O-N 3.01Å; I171-A174 VanDerWaalsContact O-N 3.15Å; I171-Q175 WeakPolarHBondContact O-CG 3.19Å; I171-Q175 PolarHBondContact O-N 2.93Å; I171-Q198 HydrophobicContact CD1-CB 4.05Å; I171-F199 HydrophobicContact CB-CE1 4.48Å; I171-F199 HydrophobicContact CG1-CD1 3.86Å; I171-F199 HydrophobicContact CG1-CE1 3.77Å; I171-F199 HydrophobicContact CG1-CE2 4.4Å; I171-F199 HydrophobicContact CG1-CG 4.23Å; I171-F199 HydrophobicContact CG1-CZ 4.05Å; I171-A202 HydrophobicContact CG2-CB 3.51Å
172E97.9Very high96.5Very high101 Ų10146.6 Ų46.647%0.47227%0.268SS..Hα-helixtrans-58.9-44.8177.3-170.5-167.5153.800111.5K134 D168 A169 Q175 A176K134-E172 IonicContact NZ-OE1 2.62Å; K134-E172 PolarHBondContact NZ-OE1 3.42Å; D168-E172 PolarHBondContact O-N 3.35Å; A169-E172 PolarHBondContact O-N 3.27Å; E172-Q175 PolarHBondContact O-N 3.49Å; E172-A176 PolarHBondContact O-N 2.78Å; E172-A176 VanDerWaalsContact O-N 3.1Å
173R98.2Very high96.7Very high11 Ų1147.6 Ų47.64%0.04227%0.272CS..Hα-helixtrans-58.8-48.4172.7-80.9176.2171.2-106.5-4.7111.8D116 V132 K134 A161 E165 A169 I171 Q175 A176 Y177D116-R173 IonicContact OD2-NH1 3.53Å; D116-R173 PolarHBondContact OD2-NH1 3.44Å; V132-R173 PolarHBondContact O-NH1 3.02Å; V132-R173 PolarHBondContact O-NH2 3.19Å; K134-R173 HydrophobicContact CB-CG 4.39Å; K134-R173 HydrophobicContact CD-CG 4.42Å; K134-R173 HydrophobicContact CG-CG 4.26Å; A161-R173 VanDerWaalsContact CB-CD 3.48Å; E165-R173 IonicContact OE1-CZ 3.59Å; E165-R173 IonicContact OE1-NE 2.73Å; E165-R173 IonicContact OE1-NH2 3.27Å; E165-R173 PolarHBondContact OE1-NH2 3.14Å; E165-R173 IonicContact OE2-CZ 2.79Å; E165-R173 IonicContact OE2-NE 2.82Å; E165-R173 PolarHBondContact OE2-NE 3.39Å; E165-R173 IonicContact OE2-NH2 3.54Å; A169-R173 WeakPolarHBondContact O-CB 3.26Å; A169-R173 WeakPolarHBondContact O-CG 3.37Å; A169-R173 PolarHBondContact O-N 3.41Å; I171-R173 VanDerWaalsContact C-N 3.33Å; I171-R173 PolarHBondContact O-N 3.44Å; R173-Q175 VanDerWaalsContact C-N 3.33Å; R173-Q175 PolarHBondContact O-N 3.42Å; R173-A176 WeakPolarHBondContact O-CB 3.38Å; R173-A176 PolarHBondContact O-N 3.36Å; R173-A176 VanDerWaalsContact O-N 3.14Å; R173-Y177 HydrophobicContact CB-CE1 4.37Å; R173-Y177 HydrophobicContact CB-CE2 3.9Å; R173-Y177 PolarHBondContact NH1-OH 3.35Å; R173-Y177 VanDerWaalsContact NH1-OH 3.12Å; R173-Y177 VanDerWaalsContact O-CD1 3.22Å; R173-Y177 WeakPolarHBondContact O-CD1 3.46Å; R173-Y177 WeakPolarHBondContact O-CD2 3.45Å; R173-Y177 PolarHBondContact O-N 2.73Å
174A98.2Very high97.1Very high0 Ų044.3 Ų44.30%024%0.244CC..Hα-helixtrans-59.8-41.9-179.200000112.4A170 I171 Y177 V178 L185 F199 V203A170-A174 WeakPolarHBondContact O-CB 3.29Å; A170-A174 PolarHBondContact O-N 3.4Å; I171-A174 WeakPolarHBondContact O-CB 3.39Å; I171-A174 PolarHBondContact O-N 3.01Å; I171-A174 VanDerWaalsContact O-N 3.15Å; A174-Y177 PolarHBondContact O-N 3.1Å; A174-V178 WeakPolarHBondContact O-CG2 3.38Å; A174-V178 PolarHBondContact O-N 2.94Å; A174-L185 HydrophobicContact CB-CD1 3.64Å; A174-L185 HydrophobicContact CB-CD2 3.63Å; A174-L185 HydrophobicContact CB-CG 4.29Å; A174-F199 HydrophobicContact CB-CD1 4.12Å; A174-F199 HydrophobicContact CB-CE1 4.04Å; A174-V203 HydrophobicContact CB-CG1 3.72Å
175Q98.5Very high97.5Very high92 Ų9241.1 Ų41.143%0.4323%0.225SC..Hα-helixtrans-61.9-44.4174.4-71.3180-43.200111.6I171 E172 R173 Y177 V178 E179 A202 V203I171-Q175 WeakPolarHBondContact O-CG 3.19Å; I171-Q175 PolarHBondContact O-N 2.93Å; E172-Q175 PolarHBondContact O-N 3.49Å; R173-Q175 VanDerWaalsContact C-N 3.33Å; R173-Q175 PolarHBondContact O-N 3.42Å; Q175-Y177 VanDerWaalsContact C-N 3.29Å; Q175-Y177 PolarHBondContact O-N 3.35Å; Q175-V178 PolarHBondContact O-N 2.93Å; Q175-E179 PolarHBondContact O-N 3.31Å; Q175-A202 PolarHBondContact NE2-O 3.15Å; Q175-A202 VanDerWaalsContact NE2-O 3.08Å; Q175-V203 HydrophobicContact CG-CG1 4.08Å
176A98.5Very high97.7Very high19 Ų1936.8 Ų36.816%0.15720%0.204CC..Hα-helixtrans-62.4-35.1176.200000112.6K134 V138 E172 R173 E179 A180K134-A176 HydrophobicContact CD-CB 4.01Å; K134-A176 HydrophobicContact CG-CB 4.14Å; V138-A176 HydrophobicContact CG2-CB 3.93Å; E172-A176 PolarHBondContact O-N 2.78Å; E172-A176 VanDerWaalsContact O-N 3.1Å; R173-A176 WeakPolarHBondContact O-CB 3.38Å; R173-A176 PolarHBondContact O-N 3.36Å; R173-A176 VanDerWaalsContact O-N 3.14Å; A176-E179 PolarHBondContact O-N 3.17Å; A176-A180 WeakPolarHBondContact O-CB 3.43Å; A176-A180 PolarHBondContact O-N 2.93Å
177Y98.4Very high97.8Very high0 Ų035.5 Ų35.50%019%0.191CC..Hα-helixtrans-70.5-38.1177.5-55.8-20.5000112.1D116 M137 V138 A157 R173 A174 Q175 A180 G181 A182D116-Y177 PolarHBondContact OD2-OH 2.88Å; M137-Y177 HydrophobicContact CB-CD1 4.43Å; M137-Y177 HydrophobicContact CB-CE1 3.57Å; M137-Y177 HydrophobicContact CG-CD1 3.92Å; M137-Y177 HydrophobicContact CG-CD2 4.42Å; M137-Y177 HydrophobicContact CG-CE1 3.36Å; M137-Y177 HydrophobicContact CG-CE2 3.89Å; M137-Y177 HydrophobicContact CG-CG 4.44Å; V138-Y177 HydrophobicContact CG2-CD1 3.93Å; V138-Y177 HydrophobicContact CG2-CE1 4.18Å; A157-Y177 HydrophobicContact CB-CD2 3.89Å; A157-Y177 HydrophobicContact CB-CG 4.11Å; R173-Y177 HydrophobicContact CB-CE1 4.37Å; R173-Y177 HydrophobicContact CB-CE2 3.9Å; R173-Y177 PolarHBondContact NH1-OH 3.35Å; R173-Y177 VanDerWaalsContact NH1-OH 3.12Å; R173-Y177 VanDerWaalsContact O-CD1 3.22Å; R173-Y177 WeakPolarHBondContact O-CD1 3.46Å; R173-Y177 WeakPolarHBondContact O-CD2 3.45Å; R173-Y177 PolarHBondContact O-N 2.73Å; A174-Y177 PolarHBondContact O-N 3.1Å; Q175-Y177 VanDerWaalsContact C-N 3.29Å; Q175-Y177 PolarHBondContact O-N 3.35Å; Y177-A180 WeakPolarHBondContact O-CB 3.22Å; Y177-A180 PolarHBondContact O-N 3.47Å; Y177-G181 PolarHBondContact O-N 3.42Å; Y177-A182 WeakPolarHBondContact O-CB 3.18Å; Y177-A182 PolarHBondContact O-N 2.95Å
178V98.4Very high97.7Very high35 Ų3534.2 Ų34.221%0.21218%0.184CC..Hα-helixtrans-66.9-42.1173.7172.40000111.2A174 Q175 A180 G181 V203 V205A174-V178 WeakPolarHBondContact O-CG2 3.38Å; A174-V178 PolarHBondContact O-N 2.94Å; Q175-V178 PolarHBondContact O-N 2.93Å; V178-A180 PolarHBondContact O-N 2.55Å; V178-G181 WeakPolarHBondContact O-CA 3.2Å; V178-G181 PolarHBondContact O-N 3.09Å; V178-V203 HydrophobicContact CG2-CB 4.06Å; V178-V203 HydrophobicContact CG2-CG1 4.42Å; V178-V205 HydrophobicContact CG1-CG1 3.73Å; V178-V205 HydrophobicContact CG2-CB 4.48Å; V178-V205 HydrophobicContact CG2-CG1 4.1Å; V178-V205 HydrophobicContact CG2-CG2 3.56Å
179E98.1Very high97.3Very high175 Ų17528.7 Ų28.782%0.81816%0.156SC*.Hα-helixtrans-61.3-33.6173.5-171.8178.6-172.500112Q175 A176 G181Q175-E179 PolarHBondContact O-N 3.31Å; A176-E179 PolarHBondContact O-N 3.17Å; E179-G181 PolarHBondContact O-N 3.38Å
180A98Very high97.3Very high11 Ų1127.4 Ų27.49%0.09115%0.146CC..THydrogen-bonded Turntrans-70.9-8.4173.100000114.1V138 I141 R142 A176 Y177 V178V138-A180 HydrophobicContact CB-CB 4.47Å; V138-A180 HydrophobicContact CG1-CB 3.96Å; V138-A180 HydrophobicContact CG2-CB 4.46Å; I141-A180 HydrophobicContact CB-CB 4.05Å; I141-A180 HydrophobicContact CG2-CB 3.79Å; R142-A180 HydrophobicContact CG-CB 4.08Å; A176-A180 WeakPolarHBondContact O-CB 3.43Å; A176-A180 PolarHBondContact O-N 2.93Å; Y177-A180 WeakPolarHBondContact O-CB 3.22Å; Y177-A180 PolarHBondContact O-N 3.47Å; V178-A180 PolarHBondContact O-N 2.55Å
181G97.8Very high97.1Very high27 Ų2730.3 Ų30.328%0.27816%0.164SC..THydrogen-bonded Turntrans108.99175.200000115.2V145 Y177 V178 E179 E183V145-G181 WeakPolarHBondContact CG2-O 3.28Å; Y177-G181 PolarHBondContact O-N 3.42Å; V178-G181 WeakPolarHBondContact O-CA 3.2Å; V178-G181 PolarHBondContact O-N 3.09Å; E179-G181 PolarHBondContact O-N 3.38Å; G181-E183 PolarHBondContact O-N 3.3Å
182A98.1Very high97.1Very high3 Ų334.4 Ų34.43%0.02518%0.182CC..  trans-63.3128.4170.600000110.2I141 A157 Y177I141-A182 HydrophobicContact CG2-CB 3.96Å; A157-A182 HydrophobicContact CB-CB 3.67Å; Y177-A182 WeakPolarHBondContact O-CB 3.18Å; Y177-A182 PolarHBondContact O-N 2.95Å
183E97.9Very high97Very high52 Ų5231.8 Ų31.824%0.24317%0.171CC..SBendtrans-92.7-13.8-172.7-62.6164.899.400111.9R11 K148 I155 G181R11-E183 IonicContact CZ-OE1 2.74Å; R11-E183 IonicContact NH1-OE1 2.57Å; R11-E183 IonicContact NH2-OE1 3.39Å; R11-E183 PolarHBondContact NH2-OE1 2.92Å; R11-E183 IonicContact NH2-OE2 2.64Å; K148-E183 IonicContact NZ-OE1 2.72Å; K148-E183 PolarHBondContact NZ-OE1 3.46Å; K148-E183 IonicContact NZ-OE2 3.84Å; K148-E183 PolarHBondContact NZ-OE2 3.12Å; I155-E183 PolarHBondContact N-OE2 2.74Å; I155-E183 VanDerWaalsContact N-OE2 3.13Å; I155-E183 PolarHBondContact O-N 2.95Å; G181-E183 PolarHBondContact O-N 3.3Å
184M98.3Very high97Very high4 Ų433.9 Ų33.92%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-149.9158.1179.8-58.1-173.8-173.900110.1F10 L14 V154 M156 A157 P206 M232F10-M184 HydrophobicContact CD1-CE 4.07Å; F10-M184 HydrophobicContact CE1-CE 3.8Å; F10-M184 HydrophobicContact CE1-SD 3.82Å; L14-M184 HydrophobicContact CD2-CE 3.86Å; V154-M184 HydrophobicContact CG1-CE 3.73Å; V154-M184 HydrophobicContact CG1-CG 3.99Å; V154-M184 HydrophobicContact CG1-SD 3.57Å; V154-M184 VanDerWaalsContact CG1-SD 3.57Å; V154-M184 HydrophobicContact CG2-CE 3.95Å; M156-M184 WeakPolarHBondContact CA-O 3.41Å; M156-M184 HydrophobicContact CB-CB 4.1Å; M156-M184 HydrophobicContact CE-CB 3.74Å; M156-M184 HydrophobicContact CE-CG 4.42Å; M156-M184 HydrophobicContact CE-SD 3.89Å; M156-M184 HydrophobicContact CG-CB 3.98Å; A157-M184 PolarHBondContact N-O 3.48Å; M184-P206 WeakPolarHBondContact CA-O 2.93Å; M184-P206 HydrophobicContact CG-CB 4.12Å; M184-P206 HydrophobicContact CG-CG 4.34Å; M184-P206 HydrophobicContact SD-CB 4.46Å; M184-M232 HydrophobicContact CB-CE 4.23Å; M184-M232 HydrophobicContact CG-CE 4.25Å; M184-M232 HydrophobicContact SD-CE 3.62Å; M184-M232 HydrophobicContact SD-SD 3.75Å
185L98.5Very high97Very high0 Ų035.5 Ų35.50%020%0.199CC..EExtended strand (participates in β ladder)trans-124.1139.2-178.8-170.677.6000111.9A157 A174 P187 F199 V203 V205 P206 I207 L208A157-L185 HydrophobicContact CB-CD1 4.35Å; A157-L185 CarbonylContact O-C 3.52Å; A157-L185 WeakPolarHBondContact O-CA 3.39Å; A174-L185 HydrophobicContact CB-CD1 3.64Å; A174-L185 HydrophobicContact CB-CD2 3.63Å; A174-L185 HydrophobicContact CB-CG 4.29Å; L185-P187 HydrophobicContact CD2-CG 4.43Å; L185-F199 HydrophobicContact CD2-CB 4.47Å; L185-F199 HydrophobicContact CD2-CD1 3.71Å; L185-F199 HydrophobicContact CD2-CE1 4.37Å; L185-F199 HydrophobicContact CD2-CG 4.42Å; L185-V203 HydrophobicContact CB-CG2 4.45Å; L185-V203 HydrophobicContact CD2-CG1 4.2Å; L185-V203 HydrophobicContact CD2-CG2 3.98Å; L185-V205 HydrophobicContact CB-CG2 4.17Å; L185-P206 PolarHBondContact N-O 3.3Å; L185-I207 HydrophobicContact CB-CG1 4.45Å; L185-I207 HydrophobicContact CD2-CD1 4.18Å; L185-I207 WeakPolarHBondContact O-CA 3.41Å; L185-L208 PolarHBondContact O-N 3.2Å
186F97.8Very high96.9Very high2 Ų231.1 Ų31.11%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-121.591.1168.9176.4-173.3000109.8M156 A157 R158 T159 E188 L208 N210M156-F186 HydrophobicContact CG-CB 4.17Å; M156-F186 HydrophobicContact SD-CB 3.79Å; A157-F186 PolarHBondContact O-N 3.05Å; R158-F186 VanDerWaalsContact CA-O 3.25Å; R158-F186 WeakPolarHBondContact CA-O 3.31Å; R158-F186 HydrophobicContact CB-CB 4.13Å; R158-F186 HydrophobicContact CB-CD1 4.09Å; R158-F186 HydrophobicContact CB-CG 4.29Å; R158-F186 HydrophobicContact CG-CB 4.37Å; R158-F186 HydrophobicContact CG-CD1 3.87Å; R158-F186 HydrophobicContact CG-CE1 4.26Å; R158-F186 HydrophobicContact CG-CG 4.05Å; T159-F186 PolarHBondContact N-O 2.98Å; F186-E188 HydrophobicContact CE2-CB 4.3Å; F186-E188 WeakPolarHBondContact CZ-OE2 3.45Å; F186-E188 PolarHBondContact O-N 3.06Å; F186-L208 HydrophobicContact CB-CB 4.36Å; F186-L208 HydrophobicContact CB-CD2 4.31Å; F186-L208 HydrophobicContact CD1-CD2 3.92Å; F186-L208 HydrophobicContact CD2-CD2 3.7Å; F186-L208 HydrophobicContact CE1-CD2 4.17Å; F186-L208 HydrophobicContact CE2-CD2 4.01Å; F186-L208 HydrophobicContact CG-CD2 3.7Å; F186-L208 HydrophobicContact CZ-CD2 4.23Å; F186-N210 HydrophobicContact CE2-CB 3.43Å; F186-N210 VanDerWaalsContact CE2-CB 3.43Å; F186-N210 HydrophobicContact CZ-CB 3.48Å; F186-N210 VanDerWaalsContact CZ-CB 3.48Å
187P96.7Very high96.9Very high1 Ų135.6 Ų35.61%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-77.2118.2169.832.4-31.5000109.7T159 L185 I190 Y196 F199 I207T159-P187 HydrophobicContact CG2-CB 4.38Å; L185-P187 HydrophobicContact CD2-CG 4.43Å; P187-I190 HydrophobicContact CB-CD1 3.91Å; P187-I190 HydrophobicContact CB-CG1 4.13Å; P187-I190 HydrophobicContact CG-CD1 4.33Å; P187-I190 HydrophobicContact CG-CG1 4.11Å; P187-Y196 HydrophobicContact CG-CD1 4.3Å; P187-Y196 HydrophobicContact CG-CE1 4.01Å; P187-F199 HydrophobicContact CB-CD1 4.26Å; P187-F199 HydrophobicContact CB-CD2 4.09Å; P187-F199 HydrophobicContact CB-CE1 4.09Å; P187-F199 HydrophobicContact CB-CE2 3.93Å; P187-F199 HydrophobicContact CB-CG 4.26Å; P187-F199 HydrophobicContact CB-CZ 3.92Å; P187-F199 HydrophobicContact CG-CD2 4.27Å; P187-F199 HydrophobicContact CG-CG 4.3Å; P187-I207 HydrophobicContact CG-CG2 3.93Å
188E93.4Very high96.8Very high6 Ų639.8 Ų39.83%0.02821%0.211CC..THydrogen-bonded Turntrans-81.7146.2-174.3-173.364.9-87.700112.3H125 R158 T159 D160 F186 I190 N210H125-E188 IonicContact CE1-OE1 2.94Å; H125-E188 PolarHBondContact CE1-OE1 2.92Å; H125-E188 IonicContact NE2-OE1 3.29Å; H125-E188 PolarHBondContact NE2-OE1 3.13Å; R158-E188 IonicContact CZ-OE2 3.48Å; R158-E188 IonicContact NE-OE2 3.95Å; R158-E188 PolarHBondContact NE-OE2 3.32Å; R158-E188 IonicContact NH1-OE2 3.56Å; R158-E188 IonicContact NH2-OE2 3.21Å; R158-E188 PolarHBondContact NH2-OE2 2.82Å; T159-E188 WeakPolarHBondContact O-CB 3.47Å; T159-E188 PolarHBondContact O-N 3.27Å; D160-E188 WeakPolarHBondContact OD1-CG 3.49Å; F186-E188 HydrophobicContact CE2-CB 4.3Å; F186-E188 WeakPolarHBondContact CZ-OE2 3.45Å; F186-E188 PolarHBondContact O-N 3.06Å; E188-I190 PolarHBondContact O-N 2.77Å; E188-N210 PolarHBondContact OE1-ND2 3.37Å; E188-N210 VanDerWaalsContact OE1-ND2 3.11Å
189A89.9Confident96.8Very high13 Ų1338.1 Ų38.111%0.10720%0.201CC..THydrogen-bonded Turntrans58.336.6171.900000116.1T191 A216A189-T191 PolarHBondContact O-N 2.99Å; A189-A216 HydrophobicContact CB-CB 4.18Å
190I94.7Very high96.7Very high0 Ų030.4 Ų30.40%017%0.167CC..  trans-65.1128172.6-58.9-55.1000111.3L162 P187 E188 E192 M195 Y196 F199 T217L162-I190 HydrophobicContact CD2-CD1 3.48Å; L162-I190 VanDerWaalsContact CD2-CD1 3.48Å; P187-I190 HydrophobicContact CB-CD1 3.91Å; P187-I190 HydrophobicContact CB-CG1 4.13Å; P187-I190 HydrophobicContact CG-CD1 4.33Å; P187-I190 HydrophobicContact CG-CG1 4.11Å; E188-I190 PolarHBondContact O-N 2.77Å; I190-E192 VanDerWaalsContact CG2-O 3.26Å; I190-E192 WeakPolarHBondContact CG2-O 3.34Å; I190-M195 HydrophobicContact CD1-CB 4.5Å; I190-M195 HydrophobicContact CG2-CB 3.78Å; I190-M195 HydrophobicContact CG2-SD 4.41Å; I190-Y196 HydrophobicContact CB-CD1 4.45Å; I190-Y196 HydrophobicContact CB-CD2 4.14Å; I190-Y196 HydrophobicContact CB-CE1 3.96Å; I190-Y196 HydrophobicContact CB-CE2 3.6Å; I190-Y196 VanDerWaalsContact CB-CZ 3.47Å; I190-Y196 HydrophobicContact CG1-CD1 4Å; I190-Y196 HydrophobicContact CG1-CE1 3.53Å; I190-Y196 HydrophobicContact CG1-CE2 4.14Å; I190-Y196 HydrophobicContact CG1-CG 4.48Å; I190-Y196 HydrophobicContact CG2-CD1 4.33Å; I190-Y196 HydrophobicContact CG2-CD2 3.55Å; I190-Y196 HydrophobicContact CG2-CE1 4.29Å; I190-Y196 HydrophobicContact CG2-CE2 3.5Å; I190-Y196 VanDerWaalsContact CG2-CE2 3.5Å; I190-Y196 HydrophobicContact CG2-CG 3.96Å; I190-F199 HydrophobicContact CD1-CD2 4.06Å; I190-F199 HydrophobicContact CD1-CE2 3.62Å; I190-T217 VanDerWaalsContact O-CA 3.3Å; I190-T217 WeakPolarHBondContact O-CA 3.32Å; I190-T217 WeakPolarHBondContact O-CB 3.48Å; I190-T217 VanDerWaalsContact O-CG2 3.28Å; I190-T217 WeakPolarHBondContact O-CG2 3.3Å; I190-T217 PolarHBondContact O-OG1 2.64Å
191T94.9Very high96.6Very high62 Ų6234.3 Ų34.338%0.3819%0.186SC..  trans-97.3-18.4-176.853.50000114.3A189 P218A189-T191 PolarHBondContact O-N 2.99Å; T191-P218 WeakPolarHBondContact O-CD 3.22Å; T191-P218 WeakPolarHBondContact O-CG 3.3Å
192E96.6Very high96.6Very high109 Ų10934.3 Ų34.351%0.50918%0.183SC..  trans-136.6141.3-173.5-62.4178.8-165.600111.8I190 A194 M195I190-E192 VanDerWaalsContact CG2-O 3.26Å; I190-E192 WeakPolarHBondContact CG2-O 3.34Å; E192-A194 PolarHBondContact O-N 3.28Å; E192-M195 HydrophobicContact CB-CE 4.41Å; E192-M195 HydrophobicContact CB-CG 4.26Å; E192-M195 HydrophobicContact CB-SD 4.38Å; E192-M195 HydrophobicContact CG-CE 4.33Å; E192-M195 WeakPolarHBondContact O-CB 3.46Å; E192-M195 PolarHBondContact O-N 2.93Å; E192-M195 VanDerWaalsContact O-N 3.13Å
193L97.2Very high96.5Very high45 Ų4534.7 Ų34.724%0.23619%0.185CC..Hα-helixtrans-58.8-32177.3-69.4172.4000112.9M195 Y196 R197 F220 E224 L225 A228L193-M195 VanDerWaalsContact C-N 3.28Å; L193-M195 PolarHBondContact O-N 3.12Å; L193-Y196 PolarHBondContact O-N 2.57Å; L193-R197 PolarHBondContact O-N 2.69Å; L193-F220 HydrophobicContact CD1-CD1 4.19Å; L193-F220 HydrophobicContact CD1-CE1 4.12Å; L193-F220 HydrophobicContact CD2-CB 4.41Å; L193-F220 HydrophobicContact CD2-CD1 3.85Å; L193-F220 HydrophobicContact CD2-CD2 3.94Å; L193-F220 HydrophobicContact CD2-CE1 4.04Å; L193-F220 HydrophobicContact CD2-CE2 4.11Å; L193-F220 HydrophobicContact CD2-CG 3.81Å; L193-F220 HydrophobicContact CD2-CZ 4.16Å; L193-F220 HydrophobicContact CG-CD1 3.95Å; L193-F220 HydrophobicContact CG-CE1 3.69Å; L193-F220 HydrophobicContact CG-CE2 4.33Å; L193-F220 HydrophobicContact CG-CG 4.39Å; L193-F220 HydrophobicContact CG-CZ 3.9Å; L193-E224 HydrophobicContact CD1-CB 3.97Å; L193-E224 HydrophobicContact CD1-CG 4.39Å; L193-E224 HydrophobicContact CD2-CB 4.31Å; L193-L225 HydrophobicContact CD2-CD2 4.34Å; L193-A228 HydrophobicContact CB-CB 4.13Å; L193-A228 HydrophobicContact CD2-CB 4.04Å; L193-A228 WeakPolarHBondContact O-CB 3.44Å
194A97.4Very high96.3Very high56 Ų5640.5 Ų40.546%0.46321%0.213SC..Hα-helixtrans-61.5-37.3178.200000112.2E192 R197 Q198E192-A194 PolarHBondContact O-N 3.28Å; A194-R197 PolarHBondContact O-N 2.81Å; A194-Q198 WeakPolarHBondContact O-CG 3.23Å; A194-Q198 PolarHBondContact O-N 3.29Å
195M97.5Very high96.3Very high33 Ų3341.6 Ų41.616%0.16322%0.22CC..Hα-helixtrans-65.7-40.8177.3-62.4175.9-177.700111.2L162 L167 I190 E192 L193 R197 Q198 F199L162-M195 HydrophobicContact CD2-SD 4.19Å; L167-M195 HydrophobicContact CD1-CB 4.32Å; L167-M195 HydrophobicContact CD1-CG 4.44Å; L167-M195 HydrophobicContact CD2-CG 4.27Å; I190-M195 HydrophobicContact CD1-CB 4.5Å; I190-M195 HydrophobicContact CG2-CB 3.78Å; I190-M195 HydrophobicContact CG2-SD 4.41Å; E192-M195 HydrophobicContact CB-CE 4.41Å; E192-M195 HydrophobicContact CB-CG 4.26Å; E192-M195 HydrophobicContact CB-SD 4.38Å; E192-M195 HydrophobicContact CG-CE 4.33Å; E192-M195 WeakPolarHBondContact O-CB 3.46Å; E192-M195 PolarHBondContact O-N 2.93Å; E192-M195 VanDerWaalsContact O-N 3.13Å; L193-M195 VanDerWaalsContact C-N 3.28Å; L193-M195 PolarHBondContact O-N 3.12Å; M195-R197 VanDerWaalsContact C-N 3.31Å; M195-R197 PolarHBondContact O-N 2.79Å; M195-Q198 PolarHBondContact O-N 2.94Å; M195-Q198 VanDerWaalsContact O-N 3.17Å; M195-F199 WeakPolarHBondContact O-CD2 3.39Å; M195-F199 PolarHBondContact O-N 3.32Å
196Y97.8Very high96.2Very high1 Ų143.6 Ų43.60%0.00423%0.232CC..Hα-helixtrans-58.3-43.5174-84.2-58.3000111.9P187 I190 L193 Q198 F199 A200 I207 A209 L225 V230P187-Y196 HydrophobicContact CG-CD1 4.3Å; P187-Y196 HydrophobicContact CG-CE1 4.01Å; I190-Y196 HydrophobicContact CB-CD1 4.45Å; I190-Y196 HydrophobicContact CB-CD2 4.14Å; I190-Y196 HydrophobicContact CB-CE1 3.96Å; I190-Y196 HydrophobicContact CB-CE2 3.6Å; I190-Y196 VanDerWaalsContact CB-CZ 3.47Å; I190-Y196 HydrophobicContact CG1-CD1 4Å; I190-Y196 HydrophobicContact CG1-CE1 3.53Å; I190-Y196 HydrophobicContact CG1-CE2 4.14Å; I190-Y196 HydrophobicContact CG1-CG 4.48Å; I190-Y196 HydrophobicContact CG2-CD1 4.33Å; I190-Y196 HydrophobicContact CG2-CD2 3.55Å; I190-Y196 HydrophobicContact CG2-CE1 4.29Å; I190-Y196 HydrophobicContact CG2-CE2 3.5Å; I190-Y196 VanDerWaalsContact CG2-CE2 3.5Å; I190-Y196 HydrophobicContact CG2-CG 3.96Å; L193-Y196 PolarHBondContact O-N 2.57Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 3.44Å; Y196-F199 PolarHBondContact O-N 3.07Å; Y196-A200 WeakPolarHBondContact O-CB 3.29Å; Y196-A200 PolarHBondContact O-N 2.65Å; Y196-I207 HydrophobicContact CD1-CG2 3.91Å; Y196-I207 HydrophobicContact CE1-CG2 4.15Å; Y196-A209 HydrophobicContact CE1-CB 3.84Å; Y196-A209 HydrophobicContact CE2-CB 3.96Å; Y196-A209 VanDerWaalsContact CZ-CB 3.42Å; Y196-A209 WeakPolarHBondContact OH-CA 3.44Å; Y196-A209 VanDerWaalsContact OH-CB 3.29Å; Y196-A209 WeakPolarHBondContact OH-CB 3.37Å; Y196-L225 HydrophobicContact CD2-CD2 4.46Å; Y196-L225 HydrophobicContact CE2-CD2 4.28Å; Y196-V230 HydrophobicContact CD1-CG2 3.66Å; Y196-V230 HydrophobicContact CD2-CG2 4.06Å; Y196-V230 HydrophobicContact CE1-CG2 4.3Å; Y196-V230 HydrophobicContact CG-CG2 3.55Å
197R96.9Very high96.3Very high113 Ų11343.5 Ų43.543%0.42623%0.232SC..Hα-helixtrans-60.9-43.3175.5175.4171.1-95.7145.60.6111.5L193 A194 M195 F199 A200 D201 S227 H229L193-R197 PolarHBondContact O-N 2.69Å; A194-R197 PolarHBondContact O-N 2.81Å; M195-R197 VanDerWaalsContact C-N 3.31Å; M195-R197 PolarHBondContact O-N 2.79Å; R197-F199 PolarHBondContact O-N 3.48Å; R197-A200 PolarHBondContact O-N 3.39Å; R197-D201 WeakPolarHBondContact CG-OD2 3.2Å; R197-D201 WeakPolarHBondContact O-CB 3.32Å; R197-D201 PolarHBondContact O-N 2.89Å; R197-S227 PolarHBondContact NH2-O 3.39Å; R197-H229 PolarHBondContact NH2-NE2 2.83Å
198Q97.7Very high96.4Very high88 Ų8843.5 Ų43.541%0.41123%0.232SC..Hα-helixtrans-61.2-41.8177.1-69.6174.4-82.900112.5L167 I171 A194 M195 Y196 A202L167-Q198 VanDerWaalsContact CD2-OE1 3.31Å; I171-Q198 HydrophobicContact CD1-CB 4.05Å; A194-Q198 WeakPolarHBondContact O-CG 3.23Å; A194-Q198 PolarHBondContact O-N 3.29Å; M195-Q198 PolarHBondContact O-N 2.94Å; M195-Q198 VanDerWaalsContact O-N 3.17Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 3.44Å; Q198-A202 VanDerWaalsContact O-CB 3.23Å; Q198-A202 WeakPolarHBondContact O-CB 3.28Å; Q198-A202 PolarHBondContact O-N 3.24Å; Q198-A202 VanDerWaalsContact O-N 3.15Å
199F97.8Very high96.6Very high0 Ų043.2 Ų43.20%023%0.231CC..Hα-helixtrans-63.1-48.9172.2-83-79.4000111.4L167 A170 I171 A174 L185 P187 I190 M195 Y196 R197 D201 A202 V203 I207L167-F199 HydrophobicContact CD1-CD2 4.16Å; L167-F199 HydrophobicContact CD1-CE2 3.5Å; L167-F199 VanDerWaalsContact CD1-CE2 3.5Å; L167-F199 HydrophobicContact CD1-CZ 4.08Å; A170-F199 HydrophobicContact CB-CE1 4.23Å; A170-F199 HydrophobicContact CB-CZ 3.73Å; I171-F199 HydrophobicContact CB-CE1 4.48Å; I171-F199 HydrophobicContact CG1-CD1 3.86Å; I171-F199 HydrophobicContact CG1-CE1 3.77Å; I171-F199 HydrophobicContact CG1-CE2 4.4Å; I171-F199 HydrophobicContact CG1-CG 4.23Å; I171-F199 HydrophobicContact CG1-CZ 4.05Å; A174-F199 HydrophobicContact CB-CD1 4.12Å; A174-F199 HydrophobicContact CB-CE1 4.04Å; L185-F199 HydrophobicContact CD2-CB 4.47Å; L185-F199 HydrophobicContact CD2-CD1 3.71Å; L185-F199 HydrophobicContact CD2-CE1 4.37Å; L185-F199 HydrophobicContact CD2-CG 4.42Å; P187-F199 HydrophobicContact CB-CD1 4.26Å; P187-F199 HydrophobicContact CB-CD2 4.09Å; P187-F199 HydrophobicContact CB-CE1 4.09Å; P187-F199 HydrophobicContact CB-CE2 3.93Å; P187-F199 HydrophobicContact CB-CG 4.26Å; P187-F199 HydrophobicContact CB-CZ 3.92Å; P187-F199 HydrophobicContact CG-CD2 4.27Å; P187-F199 HydrophobicContact CG-CG 4.3Å; I190-F199 HydrophobicContact CD1-CD2 4.06Å; I190-F199 HydrophobicContact CD1-CE2 3.62Å; M195-F199 WeakPolarHBondContact O-CD2 3.39Å; M195-F199 PolarHBondContact O-N 3.32Å; Y196-F199 PolarHBondContact O-N 3.07Å; R197-F199 PolarHBondContact O-N 3.48Å; F199-D201 VanDerWaalsContact C-N 3.32Å; F199-D201 PolarHBondContact O-N 3.11Å; F199-A202 PolarHBondContact O-N 3.1Å; F199-A202 VanDerWaalsContact O-N 3.08Å; F199-V203 VanDerWaalsContact O-CG2 3.31Å; F199-V203 WeakPolarHBondContact O-CG2 3.48Å; F199-V203 PolarHBondContact O-N 2.77Å; F199-I207 HydrophobicContact CB-CD1 3.39Å
200A96Very high96.9Very high13 Ų1343.1 Ų43.111%0.10723%0.228CC..Hα-helixtrans-59.5-44-175.900000111.8Y196 R197 A202 Q204 I207 H229Y196-A200 WeakPolarHBondContact O-CB 3.29Å; Y196-A200 PolarHBondContact O-N 2.65Å; R197-A200 PolarHBondContact O-N 3.39Å; A200-A202 VanDerWaalsContact C-N 3.31Å; A200-A202 PolarHBondContact O-N 2.7Å; A200-Q204 PolarHBondContact O-N 2.83Å; A200-Q204 VanDerWaalsContact O-N 3.1Å; A200-I207 HydrophobicContact CB-CD1 3.98Å; A200-I207 HydrophobicContact CB-CG1 4.49Å; A200-I207 VanDerWaalsContact N-CD1 3.27Å; A200-H229 HydrophobicContact CB-CB 3.79Å
201D96.2Very high97Very high92 Ų9243.3 Ų43.349%0.49223%0.23SC..Hα-helixtrans-66.9-33.1178-64.4-16.2000111.6R197 F199 H229R197-D201 WeakPolarHBondContact CG-OD2 3.2Å; R197-D201 WeakPolarHBondContact O-CB 3.32Å; R197-D201 PolarHBondContact O-N 2.89Å; F199-D201 VanDerWaalsContact C-N 3.32Å; F199-D201 PolarHBondContact O-N 3.11Å; D201-H229 IonicContact OD1-ND1 3.07Å
202A97.1Very high96.9Very high27 Ų2740.8 Ų40.822%0.22321%0.214CC..Hα-helixtrans-79.1-37.5-177.900000114.4I171 Q175 Q198 F199 A200I171-A202 HydrophobicContact CG2-CB 3.51Å; Q175-A202 PolarHBondContact NE2-O 3.15Å; Q175-A202 VanDerWaalsContact NE2-O 3.08Å; Q198-A202 VanDerWaalsContact O-CB 3.23Å; Q198-A202 WeakPolarHBondContact O-CB 3.28Å; Q198-A202 PolarHBondContact O-N 3.24Å; Q198-A202 VanDerWaalsContact O-N 3.15Å; F199-A202 PolarHBondContact O-N 3.1Å; F199-A202 VanDerWaalsContact O-N 3.08Å; A200-A202 VanDerWaalsContact C-N 3.31Å; A200-A202 PolarHBondContact O-N 2.7Å
203V96.4Very high96.8Very high11 Ų1137.8 Ų37.87%0.06720%0.2CC..Hα-helixtrans-103.4-22-173.3-59.80000115A174 Q175 V178 L185 F199 V205 I207A174-V203 HydrophobicContact CB-CG1 3.72Å; Q175-V203 HydrophobicContact CG-CG1 4.08Å; V178-V203 HydrophobicContact CG2-CB 4.06Å; V178-V203 HydrophobicContact CG2-CG1 4.42Å; L185-V203 HydrophobicContact CB-CG2 4.45Å; L185-V203 HydrophobicContact CD2-CG1 4.2Å; L185-V203 HydrophobicContact CD2-CG2 3.98Å; F199-V203 VanDerWaalsContact O-CG2 3.31Å; F199-V203 WeakPolarHBondContact O-CG2 3.48Å; F199-V203 PolarHBondContact O-N 2.77Å; V203-V205 HydrophobicContact CB-CG2 4.07Å; V203-V205 HydrophobicContact CG2-CG2 3.61Å; V203-V205 PolarHBondContact O-N 2.64Å; V203-I207 HydrophobicContact CG2-CD1 4.13Å; V203-I207 HydrophobicContact CG2-CG1 4.38Å
204Q93.7Very high96.5Very high174 Ų17444.4 Ų44.481%0.81323%0.227SC*.  trans53.623178.4-56.6-179.739.600115.4A200A200-Q204 PolarHBondContact O-N 2.83Å; A200-Q204 VanDerWaalsContact O-N 3.1Å
205V97.5Very high96Very high28 Ų2843.1 Ų43.117%0.1722%0.219CC..SBendtrans-115.1157.5170.2-63.50000110V178 L185 V203 I207V178-V205 HydrophobicContact CG1-CG1 3.73Å; V178-V205 HydrophobicContact CG2-CB 4.48Å; V178-V205 HydrophobicContact CG2-CG1 4.1Å; V178-V205 HydrophobicContact CG2-CG2 3.56Å; L185-V205 HydrophobicContact CB-CG2 4.17Å; V203-V205 HydrophobicContact CB-CG2 4.07Å; V203-V205 HydrophobicContact CG2-CG2 3.61Å; V203-V205 PolarHBondContact O-N 2.64Å; V205-I207 PolarHBondContact O-N 3.15Å
206P98.1Very high95.7Very high41 Ų4144 Ų4427%0.26623%0.232SC..PPolyproline II helixtrans-54.2129.5177.6-27.536.1000112.8L14 M184 L185 A231 M232L14-P206 HydrophobicContact CD2-CB 4Å; L14-P206 HydrophobicContact CD2-CG 3.78Å; M184-P206 WeakPolarHBondContact CA-O 2.93Å; M184-P206 HydrophobicContact CG-CB 4.12Å; M184-P206 HydrophobicContact CG-CG 4.34Å; M184-P206 HydrophobicContact SD-CB 4.46Å; L185-P206 PolarHBondContact N-O 3.3Å; P206-A231 HydrophobicContact CB-CB 3.77Å; P206-M232 HydrophobicContact CB-CE 3.66Å
207I98.3Very high95.5Very high1 Ų144.1 Ų44.11%0.00523%0.233CC..BIsolated β-bridgetrans-102.7136.1178.4-62.1-157.5000111.2L185 P187 Y196 F199 A200 V203 V205 V230 A231 M232L185-I207 HydrophobicContact CB-CG1 4.45Å; L185-I207 HydrophobicContact CD2-CD1 4.18Å; L185-I207 WeakPolarHBondContact O-CA 3.41Å; P187-I207 HydrophobicContact CG-CG2 3.93Å; Y196-I207 HydrophobicContact CD1-CG2 3.91Å; Y196-I207 HydrophobicContact CE1-CG2 4.15Å; F199-I207 HydrophobicContact CB-CD1 3.39Å; A200-I207 HydrophobicContact CB-CD1 3.98Å; A200-I207 HydrophobicContact CB-CG1 4.49Å; A200-I207 VanDerWaalsContact N-CD1 3.27Å; V203-I207 HydrophobicContact CG2-CD1 4.13Å; V203-I207 HydrophobicContact CG2-CG1 4.38Å; V205-I207 PolarHBondContact O-N 3.15Å; I207-V230 WeakPolarHBondContact O-CG1 3.4Å; I207-A231 PolarHBondContact O-N 2.59Å; I207-M232 PolarHBondContact O-N 3.13Å
208L98.4Very high95.4Very high0 Ų041.4 Ų41.40%023%0.23CC..EExtended strand (participates in β ladder)trans-99.7126.8172-176.2147.6000111I22 L83 M156 L185 F186 N210 M232 L234I22-L208 HydrophobicContact CD1-CD1 4.12Å; L83-L208 HydrophobicContact CD2-CD1 3.89Å; M156-L208 HydrophobicContact CE-CB 4.13Å; M156-L208 HydrophobicContact CE-CD1 3.85Å; M156-L208 HydrophobicContact SD-CB 4.19Å; M156-L208 HydrophobicContact SD-CD1 3.98Å; L185-L208 PolarHBondContact O-N 3.2Å; F186-L208 HydrophobicContact CB-CB 4.36Å; F186-L208 HydrophobicContact CB-CD2 4.31Å; F186-L208 HydrophobicContact CD1-CD2 3.92Å; F186-L208 HydrophobicContact CD2-CD2 3.7Å; F186-L208 HydrophobicContact CE1-CD2 4.17Å; F186-L208 HydrophobicContact CE2-CD2 4.01Å; F186-L208 HydrophobicContact CG-CD2 3.7Å; F186-L208 HydrophobicContact CZ-CD2 4.23Å; L208-N210 HydrophobicContact CD2-CB 4.45Å; L208-M232 WeakPolarHBondContact CA-O 3.11Å; L208-M232 HydrophobicContact CB-CB 4.05Å; L208-M232 HydrophobicContact CB-CE 4.09Å; L208-M232 HydrophobicContact CD1-CB 4.21Å; L208-M232 HydrophobicContact CD1-SD 4.46Å; L208-M232 HydrophobicContact CG-CB 4.11Å; L208-L234 HydrophobicContact CD1-CB 4.08Å; L208-L234 HydrophobicContact CD1-CD2 4.41Å; L208-L234 HydrophobicContact CD2-CB 3.7Å; L208-L234 HydrophobicContact CD2-CD2 3.83Å; L208-L234 HydrophobicContact CD2-CG 4.41Å; L208-L234 HydrophobicContact CG-CB 4Å
209A98.2Very high95.4Very high0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-99.3125.7167.800000110.5Y196 I211 L225 V230 M232 L234Y196-A209 HydrophobicContact CE1-CB 3.84Å; Y196-A209 HydrophobicContact CE2-CB 3.96Å; Y196-A209 VanDerWaalsContact CZ-CB 3.42Å; Y196-A209 WeakPolarHBondContact OH-CA 3.44Å; Y196-A209 VanDerWaalsContact OH-CB 3.29Å; Y196-A209 WeakPolarHBondContact OH-CB 3.37Å; A209-I211 HydrophobicContact CB-CD1 4.06Å; A209-I211 PolarHBondContact O-N 3.44Å; A209-L225 HydrophobicContact CB-CD1 4.12Å; A209-L225 HydrophobicContact CB-CD2 3.66Å; A209-V230 HydrophobicContact CB-CG1 3.64Å; A209-V230 HydrophobicContact CB-CG2 4.48Å; A209-M232 PolarHBondContact N-O 3.07Å; A209-L234 PolarHBondContact O-N 3.29Å
210N96.5Very high95.4Very high11 Ų1143.8 Ų43.86%0.05924%0.243CC..EExtended strand (participates in β ladder)trans-89.7101.9176.9179.622000110.6H125 F186 E188 L208 T212 P236H125-N210 PolarHBondContact NE2-ND2 3.27Å; F186-N210 HydrophobicContact CE2-CB 3.43Å; F186-N210 VanDerWaalsContact CE2-CB 3.43Å; F186-N210 HydrophobicContact CZ-CB 3.48Å; F186-N210 VanDerWaalsContact CZ-CB 3.48Å; E188-N210 PolarHBondContact OE1-ND2 3.37Å; E188-N210 VanDerWaalsContact OE1-ND2 3.11Å; L208-N210 HydrophobicContact CD2-CB 4.45Å; N210-T212 PolarHBondContact O-N 2.86Å; N210-P236 WeakPolarHBondContact OD1-CD 3.4Å; N210-P236 VanDerWaalsContact OD1-CG 3.28Å; N210-P236 WeakPolarHBondContact OD1-CG 3.28Å
211I96.5Very high95.5Very high5 Ų546.6 Ų46.63%0.02626%0.259CS..  trans-97.967-177.1-49.6-56.2000108.8A209 T217 L219 F220 L225 L234 Y235A209-I211 HydrophobicContact CB-CD1 4.06Å; A209-I211 PolarHBondContact O-N 3.44Å; I211-T217 HydrophobicContact CD1-CG2 4.07Å; I211-L219 HydrophobicContact CG2-CB 4.44Å; I211-L219 HydrophobicContact CG2-CD2 3.86Å; I211-F220 HydrophobicContact CD1-CB 4.43Å; I211-L225 HydrophobicContact CD1-CD1 4.02Å; I211-L225 HydrophobicContact CD1-CD2 4.29Å; I211-L225 HydrophobicContact CG1-CD1 4Å; I211-L234 PolarHBondContact N-O 2.91Å; I211-Y235 HydrophobicContact CB-CD1 4.07Å; I211-Y235 HydrophobicContact CB-CE1 3.99Å; I211-Y235 HydrophobicContact CG2-CD1 4.27Å; I211-Y235 HydrophobicContact CG2-CE1 3.98Å
212T93.7Very high95.5Very high9 Ų943.8 Ų43.86%0.05525%0.246CC..  trans-95143179.1-165.60000111.6H125 N210H125-T212 WeakPolarHBondContact NE2-CG2 3.48Å; N210-T212 PolarHBondContact O-N 2.86Å
213E93.7Very high95.6Very high45 Ų4547.4 Ų47.421%0.2126%0.261CS..THydrogen-bonded Turntrans-69.8145.6177.5-53.877.4-167.100111G215 S238 R241E213-G215 PolarHBondContact O-N 3.48Å; E213-S238 WeakPolarHBondContact OE1-CA 3.29Å; E213-S238 WeakPolarHBondContact OE1-CB 3.26Å; E213-S238 PolarHBondContact OE1-OG 3.34Å; E213-R241 IonicContact OE2-NE 3.12Å
214F91.2Very high95.7Very high185 Ų18550.6 Ų50.681%0.81128%0.275SS*.THydrogen-bonded Turntrans6221.9179.8-37.7-70.6000113.4
215G87.6Confident95.9Very high28 Ų2842.3 Ų42.329%0.28924%0.237SC..SBendtrans-90.7-178.1171.300000113E213E213-G215 PolarHBondContact O-N 3.48Å
216A89.4Confident95.9Very high52 Ų5246.3 Ų46.343%0.4325%0.248SC..SBendtrans-80.1-29.4175.100000112.8H125 A189 P218H125-A216 PolarHBondContact ND1-N 3.47Å; A189-A216 HydrophobicContact CB-CB 4.18Å; A216-P218 WeakPolarHBondContact O-CD 3.25Å
217T94.4Very high95.8Very high4 Ų447.6 Ų47.63%0.02526%0.259CS..SBendtrans-72.7124.5177.6-52.40000109.8I190 I211 F220I190-T217 VanDerWaalsContact O-CA 3.3Å; I190-T217 WeakPolarHBondContact O-CA 3.32Å; I190-T217 WeakPolarHBondContact O-CB 3.48Å; I190-T217 VanDerWaalsContact O-CG2 3.28Å; I190-T217 WeakPolarHBondContact O-CG2 3.3Å; I190-T217 PolarHBondContact O-OG1 2.64Å; I211-T217 HydrophobicContact CD1-CG2 4.07Å; T217-F220 HydrophobicContact CG2-CD2 4.28Å; T217-F220 HydrophobicContact CG2-CE2 4.35Å
218P96.1Very high95.7Very high56 Ų5647.7 Ų47.736%0.36426%0.259SS..  trans-56.5153.1170.9-2534.5000112.1T191 A216 F220T191-P218 WeakPolarHBondContact O-CD 3.22Å; T191-P218 WeakPolarHBondContact O-CG 3.3Å; A216-P218 WeakPolarHBondContact O-CD 3.25Å; P218-F220 HydrophobicContact CB-CD1 4.32Å; P218-F220 HydrophobicContact CB-CD2 4.36Å; P218-F220 HydrophobicContact CB-CE1 3.89Å; P218-F220 HydrophobicContact CB-CE2 3.95Å; P218-F220 HydrophobicContact CB-CZ 3.69Å; P218-F220 HydrophobicContact CG-CE1 4.25Å; P218-F220 HydrophobicContact CG-CE2 3.99Å; P218-F220 HydrophobicContact CG-CZ 3.65Å; P218-F220 WeakPolarHBondContact O-CD2 3.21Å; P218-F220 PolarHBondContact O-N 3.14Å
219L97Very high95.7Very high113 Ų11352.3 Ų52.359%0.59228%0.281SS*.  trans-76.962.1-179.3-59.8-179.9000112I211I211-L219 HydrophobicContact CG2-CB 4.44Å; I211-L219 HydrophobicContact CG2-CD2 3.86Å
220F97.7Very high95.6Very high25 Ų2552.4 Ų52.411%0.1128%0.281CS..  trans-59.7141179.6-62.2-59.5000111.4L193 I211 T217 P218 E224 L225L193-F220 HydrophobicContact CD1-CD1 4.19Å; L193-F220 HydrophobicContact CD1-CE1 4.12Å; L193-F220 HydrophobicContact CD2-CB 4.41Å; L193-F220 HydrophobicContact CD2-CD1 3.85Å; L193-F220 HydrophobicContact CD2-CD2 3.94Å; L193-F220 HydrophobicContact CD2-CE1 4.04Å; L193-F220 HydrophobicContact CD2-CE2 4.11Å; L193-F220 HydrophobicContact CD2-CG 3.81Å; L193-F220 HydrophobicContact CD2-CZ 4.16Å; L193-F220 HydrophobicContact CG-CD1 3.95Å; L193-F220 HydrophobicContact CG-CE1 3.69Å; L193-F220 HydrophobicContact CG-CE2 4.33Å; L193-F220 HydrophobicContact CG-CG 4.39Å; L193-F220 HydrophobicContact CG-CZ 3.9Å; I211-F220 HydrophobicContact CD1-CB 4.43Å; T217-F220 HydrophobicContact CG2-CD2 4.28Å; T217-F220 HydrophobicContact CG2-CE2 4.35Å; P218-F220 HydrophobicContact CB-CD1 4.32Å; P218-F220 HydrophobicContact CB-CD2 4.36Å; P218-F220 HydrophobicContact CB-CE1 3.89Å; P218-F220 HydrophobicContact CB-CE2 3.95Å; P218-F220 HydrophobicContact CB-CZ 3.69Å; P218-F220 HydrophobicContact CG-CE1 4.25Å; P218-F220 HydrophobicContact CG-CE2 3.99Å; P218-F220 HydrophobicContact CG-CZ 3.65Å; P218-F220 WeakPolarHBondContact O-CD2 3.21Å; P218-F220 PolarHBondContact O-N 3.14Å; F220-E224 WeakPolarHBondContact CA-OE2 3.45Å; F220-E224 HydrophobicContact CB-CB 4.27Å; F220-E224 HydrophobicContact CD1-CB 4.49Å; F220-L225 HydrophobicContact CB-CD2 3.85Å; F220-L225 HydrophobicContact CB-CG 3.91Å; F220-L225 HydrophobicContact CD2-CD2 4.24Å; F220-L225 HydrophobicContact CG-CD2 4.4Å
221T97.8Very high95.7Very high72 Ų7252.5 Ų52.544%0.44228%0.284SS..  trans-73.5161.3172.761.50000111.4D223 E224 L225T221-D223 PolarHBondContact O-N 3.14Å; T221-E224 WeakPolarHBondContact CB-OE2 3.39Å; T221-E224 WeakPolarHBondContact CG2-OE2 3.34Å; T221-E224 PolarHBondContact N-OE2 2.95Å; T221-E224 PolarHBondContact O-N 2.87Å; T221-E224 WeakPolarHBondContact OG1-CB 3.41Å; T221-E224 VanDerWaalsContact OG1-CG 3.28Å; T221-E224 WeakPolarHBondContact OG1-CG 3.31Å; T221-E224 PolarHBondContact OG1-N 3.2Å; T221-E224 PolarHBondContact OG1-OE2 3.3Å; T221-L225 WeakPolarHBondContact O-CB 3.5Å; T221-L225 VanDerWaalsContact O-CG 3.31Å; T221-L225 WeakPolarHBondContact O-CG 3.45Å; T221-L225 PolarHBondContact O-N 3.39Å
222T97.3Very high95.8Very high33 Ų3352.2 Ų52.220%0.20228%0.282CS..Hα-helixtrans-60.2-30.4174.650.40000112.7P19 Q21 R226P19-T222 WeakPolarHBondContact CG-O 3.42Å; Q21-T222 HydrophobicContact CG-CG2 3.88Å; T222-R226 VanDerWaalsContact O-CB 3.32Å; T222-R226 WeakPolarHBondContact O-CB 3.47Å; T222-R226 PolarHBondContact O-N 2.96Å
223D97.7Very high96Very high102 Ų10251.8 Ų51.855%0.54528%0.28SS..Hα-helixtrans-71.4-43176.2-69.2-21.2000112.1T221 R226 S227T221-D223 PolarHBondContact O-N 3.14Å; D223-R226 PolarHBondContact O-N 2.86Å; D223-R226 IonicContact OD1-CZ 3.51Å; D223-R226 IonicContact OD1-NH1 3.85Å; D223-R226 PolarHBondContact OD1-NH1 3.42Å; D223-R226 IonicContact OD1-NH2 3.43Å; D223-R226 PolarHBondContact OD1-NH2 2.85Å; D223-S227 PolarHBondContact O-N 3.09Å
224E98.2Very high96.2Very high79 Ų7949.7 Ų49.737%0.36927%0.27SS..Hα-helixtrans-62.2-46173.8-74.9167.5132.800111.2L193 F220 T221 R226 S227 A228L193-E224 HydrophobicContact CD1-CB 3.97Å; L193-E224 HydrophobicContact CD1-CG 4.39Å; L193-E224 HydrophobicContact CD2-CB 4.31Å; F220-E224 WeakPolarHBondContact CA-OE2 3.45Å; F220-E224 HydrophobicContact CB-CB 4.27Å; F220-E224 HydrophobicContact CD1-CB 4.49Å; T221-E224 WeakPolarHBondContact CB-OE2 3.39Å; T221-E224 WeakPolarHBondContact CG2-OE2 3.34Å; T221-E224 PolarHBondContact N-OE2 2.95Å; T221-E224 PolarHBondContact O-N 2.87Å; T221-E224 WeakPolarHBondContact OG1-CB 3.41Å; T221-E224 VanDerWaalsContact OG1-CG 3.28Å; T221-E224 WeakPolarHBondContact OG1-CG 3.31Å; T221-E224 PolarHBondContact OG1-N 3.2Å; T221-E224 PolarHBondContact OG1-OE2 3.3Å; E224-R226 PolarHBondContact O-N 2.97Å; E224-S227 WeakPolarHBondContact O-CB 3.41Å; E224-S227 PolarHBondContact O-N 3.4Å; E224-S227 VanDerWaalsContact O-N 3.15Å; E224-S227 PolarHBondContact O-OG 3.11Å; E224-A228 PolarHBondContact O-N 3.46Å
225L98.1Very high96.5Very high0 Ų043.1 Ų43.10%024%0.24CC..Hα-helixtrans-61-42.6176.2-70177.2000111.9P19 L193 Y196 A209 I211 F220 T221 S227 A228 H229 V230 A233P19-L225 HydrophobicContact CG-CB 4.19Å; L193-L225 HydrophobicContact CD2-CD2 4.34Å; Y196-L225 HydrophobicContact CD2-CD2 4.46Å; Y196-L225 HydrophobicContact CE2-CD2 4.28Å; A209-L225 HydrophobicContact CB-CD1 4.12Å; A209-L225 HydrophobicContact CB-CD2 3.66Å; I211-L225 HydrophobicContact CD1-CD1 4.02Å; I211-L225 HydrophobicContact CD1-CD2 4.29Å; I211-L225 HydrophobicContact CG1-CD1 4Å; F220-L225 HydrophobicContact CB-CD2 3.85Å; F220-L225 HydrophobicContact CB-CG 3.91Å; F220-L225 HydrophobicContact CD2-CD2 4.24Å; F220-L225 HydrophobicContact CG-CD2 4.4Å; T221-L225 WeakPolarHBondContact O-CB 3.5Å; T221-L225 VanDerWaalsContact O-CG 3.31Å; T221-L225 WeakPolarHBondContact O-CG 3.45Å; T221-L225 PolarHBondContact O-N 3.39Å; L225-S227 VanDerWaalsContact C-N 3.27Å; L225-S227 PolarHBondContact O-N 3.19Å; L225-A228 CarbonylContact O-C 3.59Å; L225-A228 PolarHBondContact O-N 3.49Å; L225-H229 PolarHBondContact O-N 3.46Å; L225-V230 HydrophobicContact CB-CB 3.99Å; L225-V230 HydrophobicContact CB-CG1 4.26Å; L225-V230 HydrophobicContact CD2-CB 4.35Å; L225-V230 HydrophobicContact CD2-CG1 4.34Å; L225-V230 HydrophobicContact CD2-CG2 4.13Å; L225-V230 WeakPolarHBondContact O-CB 3.48Å; L225-V230 PolarHBondContact O-N 3.17Å; L225-V230 VanDerWaalsContact O-N 3.07Å; L225-A233 HydrophobicContact CD1-CB 3.71Å
226R97.3Very high96.9Very high111 Ų11142.2 Ų42.242%0.41923%0.229SC..Hα-helixtrans-59.2-40.6174.7-162.8-176.5-56108.18.1111.6N18 P19 T222 D223 E224 A228 H229N18-R226 PolarHBondContact O-NE 3.2Å; P19-R226 HydrophobicContact CG-CB 4.29Å; T222-R226 VanDerWaalsContact O-CB 3.32Å; T222-R226 WeakPolarHBondContact O-CB 3.47Å; T222-R226 PolarHBondContact O-N 2.96Å; D223-R226 PolarHBondContact O-N 2.86Å; D223-R226 IonicContact OD1-CZ 3.51Å; D223-R226 IonicContact OD1-NH1 3.85Å; D223-R226 PolarHBondContact OD1-NH1 3.42Å; D223-R226 IonicContact OD1-NH2 3.43Å; D223-R226 PolarHBondContact OD1-NH2 2.85Å; E224-R226 PolarHBondContact O-N 2.97Å; R226-A228 PolarHBondContact O-N 3.3Å; R226-H229 PolarHBondContact O-N 3.38Å
227S96.9Very high97.2Very high69 Ų6941 Ų4148%0.48322%0.215SC..Hα-helixtrans-63.1-21.4178.484.60000113.5R197 D223 E224 L225R197-S227 PolarHBondContact NH2-O 3.39Å; D223-S227 PolarHBondContact O-N 3.09Å; E224-S227 WeakPolarHBondContact O-CB 3.41Å; E224-S227 PolarHBondContact O-N 3.4Å; E224-S227 VanDerWaalsContact O-N 3.15Å; E224-S227 PolarHBondContact O-OG 3.11Å; L225-S227 VanDerWaalsContact C-N 3.27Å; L225-S227 PolarHBondContact O-N 3.19Å
228A96.9Very high97.2Very high2 Ų242.5 Ų42.52%0.01723%0.226CC..THydrogen-bonded Turntrans-102.113.617700000113.8L193 E224 L225 R226 V230L193-A228 HydrophobicContact CB-CB 4.13Å; L193-A228 HydrophobicContact CD2-CB 4.04Å; L193-A228 WeakPolarHBondContact O-CB 3.44Å; E224-A228 PolarHBondContact O-N 3.46Å; L225-A228 CarbonylContact O-C 3.59Å; L225-A228 PolarHBondContact O-N 3.49Å; R226-A228 PolarHBondContact O-N 3.3Å; A228-V230 HydrophobicContact CB-CG2 4.47Å; A228-V230 PolarHBondContact O-N 3.14Å
229H96.6Very high97.2Very high98 Ų9842.2 Ų42.245%0.45423%0.228SC..THydrogen-bonded Turntrans62.225.3180-50.3163.7000114.5R197 A200 D201 L225 R226R197-H229 PolarHBondContact NH2-NE2 2.83Å; A200-H229 HydrophobicContact CB-CB 3.79Å; D201-H229 IonicContact OD1-ND1 3.07Å; L225-H229 PolarHBondContact O-N 3.46Å; R226-H229 PolarHBondContact O-N 3.38Å
230V98Very high97.1Very high1 Ų138 Ų381%0.00621%0.205CC..  trans-77.1129.5171.1175.20000109.2Y196 I207 A209 L225 A228 M232Y196-V230 HydrophobicContact CD1-CG2 3.66Å; Y196-V230 HydrophobicContact CD2-CG2 4.06Å; Y196-V230 HydrophobicContact CE1-CG2 4.3Å; Y196-V230 HydrophobicContact CG-CG2 3.55Å; I207-V230 WeakPolarHBondContact O-CG1 3.4Å; A209-V230 HydrophobicContact CB-CG1 3.64Å; A209-V230 HydrophobicContact CB-CG2 4.48Å; L225-V230 HydrophobicContact CB-CB 3.99Å; L225-V230 HydrophobicContact CB-CG1 4.26Å; L225-V230 HydrophobicContact CD2-CB 4.35Å; L225-V230 HydrophobicContact CD2-CG1 4.34Å; L225-V230 HydrophobicContact CD2-CG2 4.13Å; L225-V230 WeakPolarHBondContact O-CB 3.48Å; L225-V230 PolarHBondContact O-N 3.17Å; L225-V230 VanDerWaalsContact O-N 3.07Å; A228-V230 HydrophobicContact CB-CG2 4.47Å; A228-V230 PolarHBondContact O-N 3.14Å; V230-M232 WeakPolarHBondContact CG1-O 3.04Å
231A98.1Very high97Very high13 Ų1341.6 Ų41.611%0.10722%0.218CC..  trans-97-19.6-174.400000113.5L14 P19 L20 P206 I207L14-A231 HydrophobicContact CD1-CB 4.26Å; L14-A231 WeakPolarHBondContact CD1-O 3.38Å; P19-A231 CarbonylContact C-O 3.59Å; P19-A231 VanDerWaalsContact CA-O 3.26Å; P19-A231 WeakPolarHBondContact CA-O 3.49Å; L20-A231 PolarHBondContact N-O 3.48Å; P206-A231 HydrophobicContact CB-CB 3.77Å; I207-A231 PolarHBondContact O-N 2.59Å
232M98.6Very high96.8Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-137.2135.5-179.8-66.9163-75.400110.8F10 L14 L20 I22 M156 M184 P206 I207 L208 A209 V230F10-M232 HydrophobicContact CE1-SD 4.11Å; F10-M232 HydrophobicContact CZ-SD 4.02Å; L14-M232 HydrophobicContact CD1-CG 3.59Å; L14-M232 HydrophobicContact CD1-SD 4.18Å; L20-M232 HydrophobicContact CB-CG 4.18Å; L20-M232 CarbonylContact O-C 3.53Å; L20-M232 WeakPolarHBondContact O-CA 3.41Å; I22-M232 HydrophobicContact CD1-CB 4.09Å; I22-M232 HydrophobicContact CD1-CG 4.05Å; I22-M232 HydrophobicContact CD1-SD 4.05Å; M156-M232 HydrophobicContact CE-CE 3.79Å; M156-M232 HydrophobicContact CE-SD 3.89Å; M184-M232 HydrophobicContact CB-CE 4.23Å; M184-M232 HydrophobicContact CG-CE 4.25Å; M184-M232 HydrophobicContact SD-CE 3.62Å; M184-M232 HydrophobicContact SD-SD 3.75Å; P206-M232 HydrophobicContact CB-CE 3.66Å; I207-M232 PolarHBondContact O-N 3.13Å; L208-M232 WeakPolarHBondContact CA-O 3.11Å; L208-M232 HydrophobicContact CB-CB 4.05Å; L208-M232 HydrophobicContact CB-CE 4.09Å; L208-M232 HydrophobicContact CD1-CB 4.21Å; L208-M232 HydrophobicContact CD1-SD 4.46Å; L208-M232 HydrophobicContact CG-CB 4.11Å; A209-M232 PolarHBondContact N-O 3.07Å; V230-M232 WeakPolarHBondContact CG1-O 3.04Å
233A98.2Very high96.7Very high0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-113115.9172.200000108.9P19 L20 Q21 I22 L225 Y235P19-A233 HydrophobicContact CB-CB 4.38Å; L20-A233 PolarHBondContact O-N 2.88Å; Q21-A233 WeakPolarHBondContact CA-O 3.24Å; I22-A233 PolarHBondContact N-O 2.73Å; L225-A233 HydrophobicContact CD1-CB 3.71Å; A233-Y235 HydrophobicContact CB-CE2 4.2Å
234L98.2Very high96.6Very high1 Ų141.1 Ų41.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-98.3126.9-179.3174.663.5000110.4I22 Y43 L208 A209 I211 P236I22-L234 HydrophobicContact CB-CD1 4.22Å; I22-L234 HydrophobicContact CG2-CD1 4.3Å; I22-L234 WeakPolarHBondContact O-CA 3.34Å; I22-L234 WeakPolarHBondContact O-CD1 3.35Å; Y43-L234 HydrophobicContact CD1-CD1 3.56Å; Y43-L234 HydrophobicContact CD1-CD2 4.38Å; Y43-L234 HydrophobicContact CD1-CG 4.47Å; Y43-L234 HydrophobicContact CD2-CD1 4.01Å; Y43-L234 HydrophobicContact CE1-CD1 4.09Å; Y43-L234 HydrophobicContact CE1-CD2 4.06Å; Y43-L234 HydrophobicContact CE2-CD2 4.41Å; Y43-L234 HydrophobicContact CG-CD1 3.48Å; Y43-L234 VanDerWaalsContact CG-CD1 3.48Å; L208-L234 HydrophobicContact CD1-CB 4.08Å; L208-L234 HydrophobicContact CD1-CD2 4.41Å; L208-L234 HydrophobicContact CD2-CB 3.7Å; L208-L234 HydrophobicContact CD2-CD2 3.83Å; L208-L234 HydrophobicContact CD2-CG 4.41Å; L208-L234 HydrophobicContact CG-CB 4Å; A209-L234 PolarHBondContact O-N 3.29Å; I211-L234 PolarHBondContact N-O 2.91Å; L234-P236 HydrophobicContact CD1-CB 4.35Å; L234-P236 HydrophobicContact CD2-CB 4.26Å; L234-P236 HydrophobicContact CG-CB 4.1Å; L234-P236 HydrophobicContact CG-CG 4.48Å; L234-P236 WeakPolarHBondContact O-CD 3.46Å
235Y97.3Very high96.5Very high46 Ų4645.4 Ų45.418%0.1823%0.232CC..EExtended strand (participates in β ladder)trans-114.480.5172.8-54.2-79.8000108.8Q21 I22 V23 G24 I211 A233 L237Q21-Y235 HydrophobicContact CB-CE2 4.11Å; Q21-Y235 HydrophobicContact CG-CE2 4.07Å; I22-Y235 PolarHBondContact O-N 2.81Å; V23-Y235 HydrophobicContact CG1-CD2 4.11Å; G24-Y235 PolarHBondContact N-O 2.87Å; I211-Y235 HydrophobicContact CB-CD1 4.07Å; I211-Y235 HydrophobicContact CB-CE1 3.99Å; I211-Y235 HydrophobicContact CG2-CD1 4.27Å; I211-Y235 HydrophobicContact CG2-CE1 3.98Å; A233-Y235 HydrophobicContact CB-CE2 4.2Å; Y235-L237 PolarHBondContact O-N 3.1Å
236P95.7Very high96.4Very high9 Ų948 Ų486%0.05825%0.254CS..  trans-76.3-27.2-158.631.8-38.4000113.9G24 Y43 N210 L234G24-P236 WeakPolarHBondContact CA-O 3.43Å; Y43-P236 HydrophobicContact CD1-CB 3.96Å; Y43-P236 HydrophobicContact CE1-CB 3.72Å; N210-P236 WeakPolarHBondContact OD1-CD 3.4Å; N210-P236 VanDerWaalsContact OD1-CG 3.28Å; N210-P236 WeakPolarHBondContact OD1-CG 3.28Å; L234-P236 HydrophobicContact CD1-CB 4.35Å; L234-P236 HydrophobicContact CD2-CB 4.26Å; L234-P236 HydrophobicContact CG-CB 4.1Å; L234-P236 HydrophobicContact CG-CG 4.48Å; L234-P236 WeakPolarHBondContact O-CD 3.46Å
237L95.1Very high96.4Very high27 Ų2744.4 Ų44.414%0.14125%0.247CC..SBendtrans-139.74.8-168.9-66.8173.8000114.2Y235 A239 F240 R241Y235-L237 PolarHBondContact O-N 3.1Å; L237-A239 PolarHBondContact O-N 2.82Å; L237-F240 HydrophobicContact CB-CD1 4.45Å; L237-F240 HydrophobicContact CD2-CB 4.26Å; L237-F240 HydrophobicContact CD2-CD1 3.81Å; L237-F240 HydrophobicContact CD2-CE1 4.5Å; L237-F240 HydrophobicContact CD2-CG 4.25Å; L237-F240 WeakPolarHBondContact O-CB 3.4Å; L237-F240 PolarHBondContact O-N 3.17Å; L237-F240 VanDerWaalsContact O-N 3.15Å; L237-R241 HydrophobicContact CB-CG 4.41Å; L237-R241 WeakPolarHBondContact O-CG 3.5Å; L237-R241 PolarHBondContact O-N 3.29Å
238S95.3Very high96.4Very high35 Ų3545.6 Ų45.625%0.24525%0.245CC..Hα-helixtrans-55.5-53.2-175.4-45.70000112.3E213 F240 R241 A242E213-S238 WeakPolarHBondContact OE1-CA 3.29Å; E213-S238 WeakPolarHBondContact OE1-CB 3.26Å; E213-S238 PolarHBondContact OE1-OG 3.34Å; S238-F240 PolarHBondContact O-N 2.85Å; S238-R241 PolarHBondContact O-N 3.01Å; S238-A242 PolarHBondContact O-N 2.98Å; S238-A242 VanDerWaalsContact O-N 3.08Å
239A94.9Very high96.5Very high51 Ų5150 Ų5042%0.42127%0.265SS..Hα-helixtrans-65.5-38.7177.800000112.3L237 A242 M243L237-A239 PolarHBondContact O-N 2.82Å; A239-A242 PolarHBondContact O-N 3.5Å; A239-M243 WeakPolarHBondContact O-CB 3.31Å; A239-M243 PolarHBondContact O-N 2.73Å
240F95.1Very high96.6Very high24 Ų2446.7 Ų46.711%0.10525%0.252CS..Hα-helixtrans-61.5-45.4176.9169.3-107.2000111.9I26 A51 G52 L237 S238 M243 N244I26-F240 HydrophobicContact CB-CD2 4.19Å; I26-F240 HydrophobicContact CD1-CD2 4.14Å; I26-F240 HydrophobicContact CD1-CE2 4.26Å; I26-F240 HydrophobicContact CG1-CD2 3.86Å; I26-F240 HydrophobicContact CG1-CE2 4.2Å; A51-F240 HydrophobicContact CB-CE1 4.31Å; A51-F240 HydrophobicContact CB-CZ 4.03Å; G52-F240 VanDerWaalsContact CA-CE2 3.5Å; L237-F240 HydrophobicContact CB-CD1 4.45Å; L237-F240 HydrophobicContact CD2-CB 4.26Å; L237-F240 HydrophobicContact CD2-CD1 3.81Å; L237-F240 HydrophobicContact CD2-CE1 4.5Å; L237-F240 HydrophobicContact CD2-CG 4.25Å; L237-F240 WeakPolarHBondContact O-CB 3.4Å; L237-F240 PolarHBondContact O-N 3.17Å; L237-F240 VanDerWaalsContact O-N 3.15Å; S238-F240 PolarHBondContact O-N 2.85Å; F240-M243 HydrophobicContact CD2-CE 3.81Å; F240-M243 HydrophobicContact CE2-CE 4.27Å; F240-M243 PolarHBondContact O-N 3.22Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.31Å; F240-N244 VanDerWaalsContact CE2-ND2 3.29Å; F240-N244 WeakPolarHBondContact CE2-ND2 3.34Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.41Å; F240-N244 VanDerWaalsContact O-CG 3.28Å; F240-N244 PolarHBondContact O-N 3.46Å; F240-N244 PolarHBondContact O-ND2 3.35Å
241R95Very high96.6Very high100 Ų10054.4 Ų54.438%0.37728%0.282SS..Hα-helixtrans-63.9-44.9177.6-70.7179.4-178.3-70.64.9111.5E213 L237 S238 N244 R245E213-R241 IonicContact OE2-NE 3.12Å; L237-R241 HydrophobicContact CB-CG 4.41Å; L237-R241 WeakPolarHBondContact O-CG 3.5Å; L237-R241 PolarHBondContact O-N 3.29Å; S238-R241 PolarHBondContact O-N 3.01Å; R241-N244 PolarHBondContact O-N 2.85Å; R241-R245 PolarHBondContact O-N 3.14Å; R241-R245 VanDerWaalsContact O-N 3.07Å
242A95.1Very high96.6Very high63 Ų6357.4 Ų57.452%0.52130%0.296SS..Hα-helixtrans-60.3-45.2176.100000111.5S238 A239 N244 R245 A246S238-A242 PolarHBondContact O-N 2.98Å; S238-A242 VanDerWaalsContact O-N 3.08Å; A239-A242 PolarHBondContact O-N 3.5Å; A242-N244 PolarHBondContact O-N 3.11Å; A242-R245 PolarHBondContact O-N 3.31Å; A242-A246 WeakPolarHBondContact O-CB 3.49Å; A242-A246 PolarHBondContact O-N 3.11Å
243M94.6Very high96.6Very high65 Ų6557.9 Ų57.932%0.3230%0.299SS..Hα-helixtrans-58.5-47.8176.4178.5-171.967.200111.8I26 H30 A239 F240 R245 A246 A247I26-M243 HydrophobicContact CG2-CE 4.06Å; H30-M243 PolarHBondContact CE1-SD 3.39Å; H30-M243 PolarHBondContact NE2-SD 3.14Å; A239-M243 WeakPolarHBondContact O-CB 3.31Å; A239-M243 PolarHBondContact O-N 2.73Å; F240-M243 HydrophobicContact CD2-CE 3.81Å; F240-M243 HydrophobicContact CE2-CE 4.27Å; F240-M243 PolarHBondContact O-N 3.22Å; M243-R245 VanDerWaalsContact C-N 3.32Å; M243-R245 PolarHBondContact O-N 3.07Å; M243-A246 PolarHBondContact O-N 3.03Å; M243-A247 WeakPolarHBondContact O-CB 3.35Å; M243-A247 PolarHBondContact O-N 3.23Å
244N95Very high96.6Very high69 Ų6961.2 Ų61.237%0.36932%0.317SS..Hα-helixtrans-62.2-41.1180-69.8-17.1000111.8F240 R241 A242 A247 E248F240-N244 WeakPolarHBondContact CE1-ND2 3.31Å; F240-N244 VanDerWaalsContact CE2-ND2 3.29Å; F240-N244 WeakPolarHBondContact CE2-ND2 3.34Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.41Å; F240-N244 VanDerWaalsContact O-CG 3.28Å; F240-N244 PolarHBondContact O-N 3.46Å; F240-N244 PolarHBondContact O-ND2 3.35Å; R241-N244 PolarHBondContact O-N 2.85Å; A242-N244 PolarHBondContact O-N 3.11Å; N244-A247 PolarHBondContact O-N 3.37Å; N244-E248 WeakPolarHBondContact O-CB 3.28Å; N244-E248 PolarHBondContact O-N 3.43Å
245R96.5Very high96.6Very high170 Ų17071.6 Ų71.664%0.64236%0.355SS*.Hα-helixtrans-65.4-40.9177.6-172.459.9174.1160.40.5111.9R241 A242 M243 E248 H249R241-R245 PolarHBondContact O-N 3.14Å; R241-R245 VanDerWaalsContact O-N 3.07Å; A242-R245 PolarHBondContact O-N 3.31Å; M243-R245 VanDerWaalsContact C-N 3.32Å; M243-R245 PolarHBondContact O-N 3.07Å; R245-E248 IonicContact CZ-OE2 3.66Å; R245-E248 IonicContact NH1-OE2 3.72Å; R245-E248 PolarHBondContact NH1-OE2 3.32Å; R245-H249 WeakPolarHBondContact O-CB 3.21Å; R245-H249 PolarHBondContact O-N 2.97Å
246A96.6Very high96.6Very high55 Ų5576.6 Ų76.646%0.45538%0.38SS..Hα-helixtrans-64.3-45.4175.500000111.6A242 M243 E248 H249 V250A242-A246 WeakPolarHBondContact O-CB 3.49Å; A242-A246 PolarHBondContact O-N 3.11Å; M243-A246 PolarHBondContact O-N 3.03Å; A246-E248 PolarHBondContact O-N 3.27Å; A246-H249 PolarHBondContact O-N 3.26Å; A246-V250 WeakPolarHBondContact O-CG2 3.43Å; A246-V250 PolarHBondContact O-N 3.26Å
247A96.5Very high96.7Very high34 Ų3481 Ų8128%0.28140%0.401SS..Hα-helixtrans-60.9-46.5177.200000111.8M243 N244 H249 V250 Y251M243-A247 WeakPolarHBondContact O-CB 3.35Å; M243-A247 PolarHBondContact O-N 3.23Å; N244-A247 PolarHBondContact O-N 3.37Å; A247-H249 VanDerWaalsContact C-N 3.33Å; A247-H249 PolarHBondContact O-N 2.92Å; A247-V250 PolarHBondContact O-N 3.2Å; A247-Y251 HydrophobicContact CB-CE2 4.17Å; A247-Y251 VanDerWaalsContact O-CD2 3.23Å; A247-Y251 WeakPolarHBondContact O-CD2 3.4Å; A247-Y251 VanDerWaalsContact O-CG 3.25Å; A247-Y251 PolarHBondContact O-N 3.06Å
248E97.8Very high96.9Very high94 Ų9483.2 Ų83.244%0.43943%0.429SS..Hα-helixtrans-59.3-42.3176.2-176-177.3-137.700112N244 R245 A246 Y251 N252N244-E248 WeakPolarHBondContact O-CB 3.28Å; N244-E248 PolarHBondContact O-N 3.43Å; R245-E248 IonicContact CZ-OE2 3.66Å; R245-E248 IonicContact NH1-OE2 3.72Å; R245-E248 PolarHBondContact NH1-OE2 3.32Å; A246-E248 PolarHBondContact O-N 3.27Å; E248-Y251 PolarHBondContact O-N 3.43Å; E248-N252 PolarHBondContact O-N 3.06Å; E248-N252 PolarHBondContact O-ND2 2.79Å
249H98Very high97Very high95 Ų9583.4 Ų83.444%0.4443%0.429SS..Hα-helixtrans-60.6-48.4175.8179.452.5000111.8R245 A246 A247 Y251 N252 V253 V263R245-H249 WeakPolarHBondContact O-CB 3.21Å; R245-H249 PolarHBondContact O-N 2.97Å; A246-H249 PolarHBondContact O-N 3.26Å; A247-H249 VanDerWaalsContact C-N 3.33Å; A247-H249 PolarHBondContact O-N 2.92Å; H249-Y251 PolarHBondContact O-N 2.95Å; H249-N252 PolarHBondContact O-N 3.23Å; H249-V253 WeakPolarHBondContact O-CG2 3.44Å; H249-V253 PolarHBondContact O-N 3.31Å; H249-V263 WeakPolarHBondContact NE2-CG1 3.4Å
250V98.2Very high97.1Very high28 Ų2885 Ų8517%0.1743%0.428CS..Hα-helixtrans-61.8-42.2178.1172.60000111.5A246 A247 N252 V253 L254 V263 M267A246-V250 WeakPolarHBondContact O-CG2 3.43Å; A246-V250 PolarHBondContact O-N 3.26Å; A247-V250 PolarHBondContact O-N 3.2Å; V250-N252 VanDerWaalsContact C-N 3.35Å; V250-N252 PolarHBondContact O-N 2.8Å; V250-V253 PolarHBondContact O-N 2.97Å; V250-L254 HydrophobicContact CG1-CD1 3.86Å; V250-L254 HydrophobicContact CG1-CG 4.36Å; V250-L254 WeakPolarHBondContact O-CB 3.48Å; V250-L254 WeakPolarHBondContact O-CG 3.45Å; V250-L254 PolarHBondContact O-N 3.46Å; V250-V263 HydrophobicContact CG2-CG2 4.34Å; V250-M267 HydrophobicContact CB-CE 4.34Å; V250-M267 HydrophobicContact CG1-CE 3.66Å; V250-M267 HydrophobicContact CG2-CE 3.66Å
251Y98.3Very high97.2Very high163 Ų16391.5 Ų91.564%0.63946%0.456SS*.Hα-helixtrans-61.7-42.2176.9-67.1-34.4000112.4A247 E248 H249 R255A247-Y251 HydrophobicContact CB-CE2 4.17Å; A247-Y251 VanDerWaalsContact O-CD2 3.23Å; A247-Y251 WeakPolarHBondContact O-CD2 3.4Å; A247-Y251 VanDerWaalsContact O-CG 3.25Å; A247-Y251 PolarHBondContact O-N 3.06Å; E248-Y251 PolarHBondContact O-N 3.43Å; H249-Y251 PolarHBondContact O-N 2.95Å; Y251-R255 WeakPolarHBondContact O-CB 3.39Å; Y251-R255 PolarHBondContact O-N 3.29Å
252N98.4Very high97.3Very high77 Ų7789.7 Ų89.741%0.41246%0.459SS..Hα-helixtrans-65.7-44.3178-74.8-42.5000111.8E248 H249 V250 R255 Q256E248-N252 PolarHBondContact O-N 3.06Å; E248-N252 PolarHBondContact O-ND2 2.79Å; H249-N252 PolarHBondContact O-N 3.23Å; V250-N252 VanDerWaalsContact C-N 3.35Å; V250-N252 PolarHBondContact O-N 2.8Å; N252-R255 PolarHBondContact O-N 3.14Å; N252-Q256 WeakPolarHBondContact O-CB 3.4Å; N252-Q256 WeakPolarHBondContact O-CG 3.39Å; N252-Q256 PolarHBondContact O-N 3.44Å
253V98.2Very high97.4Very high9 Ų986.9 Ų86.96%0.05544%0.435CS..Hα-helixtrans-61.7-48.7176.4168.70000111.1H249 V250 R255 Q256 E257 S262 V263H249-V253 WeakPolarHBondContact O-CG2 3.44Å; H249-V253 PolarHBondContact O-N 3.31Å; V250-V253 PolarHBondContact O-N 2.97Å; V253-R255 VanDerWaalsContact C-N 3.26Å; V253-R255 PolarHBondContact O-N 3.48Å; V253-Q256 PolarHBondContact O-N 3.08Å; V253-E257 HydrophobicContact CG1-CG 4.42Å; V253-E257 WeakPolarHBondContact O-CB 3.44Å; V253-E257 PolarHBondContact O-N 3.28Å; V253-S262 VanDerWaalsContact CG1-OG 3.24Å; V253-S262 WeakPolarHBondContact CG1-OG 3.39Å; V253-V263 HydrophobicContact CB-CG1 4.26Å; V253-V263 HydrophobicContact CB-CG2 4.49Å; V253-V263 HydrophobicContact CG1-CG1 4.13Å; V253-V263 HydrophobicContact CG1-CG2 4.05Å; V253-V263 HydrophobicContact CG2-CG1 3.84Å
254L98.3Very high97.5Very high71 Ų7188.4 Ų88.437%0.37244%0.444SS..Hα-helixtrans-55.4-43175.8-81.5169.6000112V250 G258 Q260V250-L254 HydrophobicContact CG1-CD1 3.86Å; V250-L254 HydrophobicContact CG1-CG 4.36Å; V250-L254 WeakPolarHBondContact O-CB 3.48Å; V250-L254 WeakPolarHBondContact O-CG 3.45Å; V250-L254 PolarHBondContact O-N 3.46Å; L254-G258 VanDerWaalsContact O-CA 3.31Å; L254-G258 WeakPolarHBondContact O-CA 3.29Å; L254-G258 PolarHBondContact O-N 2.93Å; L254-Q260 HydrophobicContact CD2-CB 3.85Å; L254-Q260 HydrophobicContact CG-CB 4.34Å
255R98.3Very high97.5Very high218 Ų21892 Ų9282%0.82346%0.463SS*.Hα-helixtrans-70.2-37.6-179.2-17856.3179.2159.70.4112.7Y251 N252 V253Y251-R255 WeakPolarHBondContact O-CB 3.39Å; Y251-R255 PolarHBondContact O-N 3.29Å; N252-R255 PolarHBondContact O-N 3.14Å; V253-R255 VanDerWaalsContact C-N 3.26Å; V253-R255 PolarHBondContact O-N 3.48Å
256Q98.1Very high97.5Very high151 Ų15188.1 Ų88.171%0.70646%0.458SS*.Hα-helixtrans-81.9-42.6-176.2-70.5172.211.600112.5N252 V253N252-Q256 WeakPolarHBondContact O-CB 3.4Å; N252-Q256 WeakPolarHBondContact O-CG 3.39Å; N252-Q256 PolarHBondContact O-N 3.44Å; V253-Q256 PolarHBondContact O-N 3.08Å
257E98.1Very high97.4Very high103 Ų10388.7 Ų88.748%0.48145%0.452SS..Hα-helixtrans-99.5-14.6-171.9-60.1-178-167.200113.1V253 T259 S262V253-E257 HydrophobicContact CG1-CG 4.42Å; V253-E257 WeakPolarHBondContact O-CB 3.44Å; V253-E257 PolarHBondContact O-N 3.28Å; E257-T259 HydrophobicContact CB-CG2 4.25Å; E257-T259 PolarHBondContact O-N 3.36Å; E257-S262 PolarHBondContact OE1-OG 2.91Å; E257-S262 PolarHBondContact OE2-OG 3.2Å
258G97.9Very high97.3Very high72 Ų7291.3 Ų91.374%0.74246%0.459SS*.SBendtrans6810.6-173.400000113.6L254L254-G258 VanDerWaalsContact O-CA 3.31Å; L254-G258 WeakPolarHBondContact O-CA 3.29Å; L254-G258 PolarHBondContact O-N 2.93Å
259T97.9Very high97.1Very high40 Ų4090.3 Ų90.325%0.24546%0.459CS..SBendtrans-155.8160.4179.3-168.20000110.1E257 K261E257-T259 HydrophobicContact CB-CG2 4.25Å; E257-T259 PolarHBondContact O-N 3.36Å; T259-K261 HydrophobicContact CG2-CB 4.22Å; T259-K261 HydrophobicContact CG2-CD 4.32Å; T259-K261 HydrophobicContact CG2-CG 4.26Å
260Q97.1Very high96.8Very high83 Ų8394.2 Ų94.239%0.38847%0.47SS..  trans-102.27.9178.276-72.45.600113.6L254 S262 V263 I264 M267L254-Q260 HydrophobicContact CD2-CB 3.85Å; L254-Q260 HydrophobicContact CG-CB 4.34Å; Q260-S262 PolarHBondContact O-N 2.87Å; Q260-S262 VanDerWaalsContact O-N 3.13Å; Q260-V263 HydrophobicContact CB-CG2 4Å; Q260-V263 WeakPolarHBondContact O-CG2 3.5Å; Q260-V263 PolarHBondContact O-N 3.46Å; Q260-I264 HydrophobicContact CG-CG1 4.36Å; Q260-I264 PolarHBondContact O-N 2.85Å; Q260-M267 HydrophobicContact CB-CE 4.12Å; Q260-M267 HydrophobicContact CG-CE 4.33Å
261K97.5Very high96.4Very high161 Ų16197.4 Ų97.470%0.749%0.486SS*.G310 helixtrans-52.8-37.8-171.5-77.5176.5-178.5179.40113.8T259 V263T259-K261 HydrophobicContact CG2-CB 4.22Å; T259-K261 HydrophobicContact CG2-CD 4.32Å; T259-K261 HydrophobicContact CG2-CG 4.26Å; K261-V263 PolarHBondContact O-N 3.12Å
262S97.1Very high96Very high63 Ų6393.7 Ų93.744%0.44148%0.475SS..G310 helixtrans-72.9-10.6-177.848.70000114.4V253 E257 Q260V253-S262 VanDerWaalsContact CG1-OG 3.24Å; V253-S262 WeakPolarHBondContact CG1-OG 3.39Å; E257-S262 PolarHBondContact OE1-OG 2.91Å; E257-S262 PolarHBondContact OE2-OG 3.2Å; Q260-S262 PolarHBondContact O-N 2.87Å; Q260-S262 VanDerWaalsContact O-N 3.13Å
263V97.1Very high95.6Very high4 Ų492.7 Ų92.72%0.02447%0.469CS..G310 helixtrans-123.97.6-174.8-68.40000114.1H249 V250 V253 Q260 K261 D265 T266 M267H249-V263 WeakPolarHBondContact NE2-CG1 3.4Å; V250-V263 HydrophobicContact CG2-CG2 4.34Å; V253-V263 HydrophobicContact CB-CG1 4.26Å; V253-V263 HydrophobicContact CB-CG2 4.49Å; V253-V263 HydrophobicContact CG1-CG1 4.13Å; V253-V263 HydrophobicContact CG1-CG2 4.05Å; V253-V263 HydrophobicContact CG2-CG1 3.84Å; Q260-V263 HydrophobicContact CB-CG2 4Å; Q260-V263 WeakPolarHBondContact O-CG2 3.5Å; Q260-V263 PolarHBondContact O-N 3.46Å; K261-V263 PolarHBondContact O-N 3.12Å; V263-D265 VanDerWaalsContact C-N 3.27Å; V263-D265 PolarHBondContact O-N 3.31Å; V263-T266 PolarHBondContact O-N 3.05Å; V263-T266 VanDerWaalsContact O-N 3.12Å; V263-T266 PolarHBondContact O-OG1 3.41Å; V263-M267 HydrophobicContact CB-CE 4.26Å; V263-M267 HydrophobicContact CG2-CE 3.52Å
264I96.7Very high95.2Very high97 Ų9794.6 Ų94.650%0.49748%0.475SS..G310 helixtrans-58.2-38-177.1-72.9178.2000112.5Q260 T266 M267Q260-I264 HydrophobicContact CG-CG1 4.36Å; Q260-I264 PolarHBondContact O-N 2.85Å; I264-T266 PolarHBondContact O-N 3.38Å; I264-M267 PolarHBondContact O-N 2.91Å
265D96Very high94.5Very high143 Ų14396.3 Ų96.377%0.76548%0.482SS*.G310 helixtrans-69.1-14.2-17963.3-34.7000113.8V263V263-D265 VanDerWaalsContact C-N 3.27Å; V263-D265 PolarHBondContact O-N 3.31Å
266T95.1Very high93.9Very high89 Ų8986.5 Ų86.555%0.54645%0.447SS..G310 helixtrans-93.3-2.9175.6700000113.6V263 I264V263-T266 PolarHBondContact O-N 3.05Å; V263-T266 VanDerWaalsContact O-N 3.12Å; V263-T266 PolarHBondContact O-OG1 3.41Å; I264-T266 PolarHBondContact O-N 3.38Å
267M94.9Very high93.4Very high67 Ų6782.3 Ų82.333%0.3343%0.428SS..SBendtrans-99.7146.3-173.6-63.5179.4-178.800112.6V250 Q260 V263 I264 T269V250-M267 HydrophobicContact CB-CE 4.34Å; V250-M267 HydrophobicContact CG1-CE 3.66Å; V250-M267 HydrophobicContact CG2-CE 3.66Å; Q260-M267 HydrophobicContact CB-CE 4.12Å; Q260-M267 HydrophobicContact CG-CE 4.33Å; V263-M267 HydrophobicContact CB-CE 4.26Å; V263-M267 HydrophobicContact CG2-CE 3.52Å; I264-M267 PolarHBondContact O-N 2.91Å; M267-T269 PolarHBondContact O-N 2.94Å
268Q93.8Very high92.5Very high90 Ų9081.5 Ų81.542%0.42143%0.427SS..PPolyproline II helixtrans-62.1127.1165.8-170.9-175.541.700109.8E272Q268-E272 HydrophobicContact CG-CB 3.81Å
269T94.9Very high91.5Very high73 Ų7383.5 Ų83.545%0.44841%0.413SS..PPolyproline II helixtrans-72.6159.6174.269.60000111.2M267 N271 E272 L273M267-T269 PolarHBondContact O-N 2.94Å; T269-N271 VanDerWaalsContact C-N 3.26Å; T269-N271 PolarHBondContact O-N 3.49Å; T269-E272 WeakPolarHBondContact CB-OE2 3.05Å; T269-E272 WeakPolarHBondContact CG2-OE2 3.42Å; T269-E272 PolarHBondContact N-OE2 3.22Å; T269-E272 PolarHBondContact O-N 3.39Å; T269-E272 VanDerWaalsContact OG1-CD 3.23Å; T269-E272 VanDerWaalsContact OG1-CG 3.23Å; T269-E272 WeakPolarHBondContact OG1-CG 3.43Å; T269-E272 PolarHBondContact OG1-N 3.45Å; T269-E272 PolarHBondContact OG1-OE2 3.37Å; T269-L273 PolarHBondContact O-N 2.95Å; T269-L273 VanDerWaalsContact O-N 3.07Å
270R90.8Very high89.9Confident176 Ų17688.2 Ų88.266%0.66443%0.427SS*.Hα-helixtrans-60-36.2175.7-175170.263.9178.4-1.1112.8L273 Y274R270-L273 PolarHBondContact O-N 3.26Å; R270-Y274 HydrophobicContact CG-CD1 4.37Å; R270-Y274 HydrophobicContact CG-CD2 4.14Å; R270-Y274 HydrophobicContact CG-CE1 3.98Å; R270-Y274 HydrophobicContact CG-CE2 3.74Å; R270-Y274 HydrophobicContact CG-CG 4.47Å; R270-Y274 WeakPolarHBondContact O-CB 3.21Å; R270-Y274 VanDerWaalsContact O-CG 3.26Å; R270-Y274 PolarHBondContact O-N 3.02Å
271N89.3Confident88.2Confident95 Ų9589.3 Ų89.351%0.50843%0.432SS..Hα-helixtrans-69.2-43.8179.9-70.5-7.6000110.9T269 L273 Y274 E275T269-N271 VanDerWaalsContact C-N 3.26Å; T269-N271 PolarHBondContact O-N 3.49Å; N271-L273 VanDerWaalsContact C-N 3.3Å; N271-L273 PolarHBondContact O-N 3.46Å; N271-Y274 PolarHBondContact O-N 3.37Å; N271-Y274 VanDerWaalsContact O-N 3.15Å; N271-E275 WeakPolarHBondContact O-CG 3.42Å; N271-E275 PolarHBondContact O-N 2.85Å
272E90.2Very high86.1Confident86 Ų8685.6 Ų85.640%0.40242%0.423SS..Hα-helixtrans-61-40.1176-71.2162.514600111.9Q268 T269 S276Q268-E272 HydrophobicContact CG-CB 3.81Å; T269-E272 WeakPolarHBondContact CB-OE2 3.05Å; T269-E272 WeakPolarHBondContact CG2-OE2 3.42Å; T269-E272 PolarHBondContact N-OE2 3.22Å; T269-E272 PolarHBondContact O-N 3.39Å; T269-E272 VanDerWaalsContact OG1-CD 3.23Å; T269-E272 VanDerWaalsContact OG1-CG 3.23Å; T269-E272 WeakPolarHBondContact OG1-CG 3.43Å; T269-E272 PolarHBondContact OG1-N 3.45Å; T269-E272 PolarHBondContact OG1-OE2 3.37Å; E272-S276 PolarHBondContact O-N 3.23Å
273L91.2Very high83.9Confident56 Ų5686.3 Ų86.329%0.29342%0.419SS..Hα-helixtrans-62.1-47.3173.1176.363.2000111.3T269 R270 N271 E275 S276 I277T269-L273 PolarHBondContact O-N 2.95Å; T269-L273 VanDerWaalsContact O-N 3.07Å; R270-L273 PolarHBondContact O-N 3.26Å; N271-L273 VanDerWaalsContact C-N 3.3Å; N271-L273 PolarHBondContact O-N 3.46Å; L273-E275 VanDerWaalsContact C-N 3.29Å; L273-E275 PolarHBondContact O-N 3.38Å; L273-S276 PolarHBondContact O-N 2.98Å; L273-S276 VanDerWaalsContact O-N 3.11Å; L273-S276 PolarHBondContact O-OG 3.47Å; L273-I277 HydrophobicContact CD1-CD1 4.41Å; L273-I277 HydrophobicContact CD1-CG2 3.95Å; L273-I277 HydrophobicContact CG-CD1 4.22Å; L273-I277 WeakPolarHBondContact O-CG1 3.37Å; L273-I277 PolarHBondContact O-N 3.43Å
274Y88.8Confident81.5Confident48 Ų4891.9 Ų91.919%0.18845%0.453CS..Hα-helixtrans-63.6-35.1-179.3-76-2.1000113R270 N271 I277 N278 Y279 Y280R270-Y274 HydrophobicContact CG-CD1 4.37Å; R270-Y274 HydrophobicContact CG-CD2 4.14Å; R270-Y274 HydrophobicContact CG-CE1 3.98Å; R270-Y274 HydrophobicContact CG-CE2 3.74Å; R270-Y274 HydrophobicContact CG-CG 4.47Å; R270-Y274 WeakPolarHBondContact O-CB 3.21Å; R270-Y274 VanDerWaalsContact O-CG 3.26Å; R270-Y274 PolarHBondContact O-N 3.02Å; N271-Y274 PolarHBondContact O-N 3.37Å; N271-Y274 VanDerWaalsContact O-N 3.15Å; Y274-I277 HydrophobicContact CD1-CD1 4.42Å; Y274-N278 CarbonylContact O-C 3.34Å; Y274-N278 PolarHBondContact O-N 2.71Å; Y274-Y279 HydrophobicContact CD1-CD1 4.18Å; Y274-Y279 HydrophobicContact CD1-CD2 4.03Å; Y274-Y279 AromaticContact CD1-CG 3.75Å; Y274-Y279 HydrophobicContact CD1-CG 3.75Å; Y274-Y279 AromaticContact CD2-CD1 3.88Å; Y274-Y279 HydrophobicContact CD2-CD1 3.88Å; Y274-Y279 HydrophobicContact CD2-CE1 4.41Å; Y274-Y279 HydrophobicContact CD2-CG 4.26Å; Y274-Y279 HydrophobicContact CE1-CD1 4.29Å; Y274-Y279 AromaticContact CE1-CD2 3.99Å; Y274-Y279 HydrophobicContact CE1-CD2 3.99Å; Y274-Y279 HydrophobicContact CE1-CE1 4.5Å; Y274-Y279 HydrophobicContact CE1-CE2 4.21Å; Y274-Y279 HydrophobicContact CE1-CG 4.04Å; Y274-Y279 AromaticContact CE2-CD1 4Å; Y274-Y279 HydrophobicContact CE2-CD1 4Å; Y274-Y279 HydrophobicContact CE2-CE1 4.07Å; Y274-Y279 AromaticContact CG-CD1 3.96Å; Y274-Y279 HydrophobicContact CG-CD1 3.96Å; Y274-Y279 AromaticContact CG-CG 3.86Å; Y274-Y279 HydrophobicContact CG-CG 3.86Å; Y274-Y279 WeakPolarHBondContact O-CB 3.44Å; Y274-Y279 PolarHBondContact O-N 3.14Å; Y274-Y280 HydrophobicContact CD2-CE1 4.44Å; Y274-Y280 AromaticContact CD2-CE2 3.88Å; Y274-Y280 HydrophobicContact CD2-CE2 3.88Å; Y274-Y280 AromaticContact CD2-CZ 3.65Å; Y274-Y280 WeakPolarHBondContact CD2-OH 3.44Å; Y274-Y280 HydrophobicContact CG-CE2 4.31Å
275E84.2Confident79.2Confident108 Ų10891.3 Ų91.351%0.50545%0.45SS..Hα-helixtrans-65.5-46.2169.8-71.8173.9-17500111.5R36 N271 L273 I277 N278R36-E275 IonicContact CZ-OE2 2.73Å; R36-E275 IonicContact NH1-OE2 3.5Å; R36-E275 PolarHBondContact NH1-OE2 3.05Å; R36-E275 VanDerWaalsContact NH1-OE2 3.15Å; R36-E275 IonicContact NH2-OE2 3.33Å; R36-E275 PolarHBondContact NH2-OE2 3.16Å; N271-E275 WeakPolarHBondContact O-CG 3.42Å; N271-E275 PolarHBondContact O-N 2.85Å; L273-E275 VanDerWaalsContact C-N 3.29Å; L273-E275 PolarHBondContact O-N 3.38Å; E275-I277 VanDerWaalsContact C-N 3.34Å; E275-I277 PolarHBondContact O-N 2.77Å; E275-N278 PolarHBondContact O-N 3.2Å
276S85.5Confident77Confident12 Ų1292.9 Ų92.98%0.08445%0.45CS..Hα-helixtrans-66.1-35.1-176.572.50000113.2N29 L32 E272 L273N29-S276 PolarHBondContact OD1-OG 3.25Å; L32-S276 WeakPolarHBondContact CD1-O 3.3Å; E272-S276 PolarHBondContact O-N 3.23Å; L273-S276 PolarHBondContact O-N 2.98Å; L273-S276 VanDerWaalsContact O-N 3.11Å; L273-S276 PolarHBondContact O-OG 3.47Å
277I87.5Confident75Confident63 Ų6392.9 Ų92.932%0.32345%0.452SS..THydrogen-bonded Turntrans-94.78.8178.273.6-173.6000113.5N29 L32 L273 Y274 E275 Y279N29-I277 WeakPolarHBondContact OD1-CG2 3.48Å; L32-I277 HydrophobicContact CD1-CG2 4.29Å; L273-I277 HydrophobicContact CD1-CD1 4.41Å; L273-I277 HydrophobicContact CD1-CG2 3.95Å; L273-I277 HydrophobicContact CG-CD1 4.22Å; L273-I277 WeakPolarHBondContact O-CG1 3.37Å; L273-I277 PolarHBondContact O-N 3.43Å; Y274-I277 HydrophobicContact CD1-CD1 4.42Å; E275-I277 VanDerWaalsContact C-N 3.34Å; E275-I277 PolarHBondContact O-N 2.77Å; I277-Y279 HydrophobicContact CD1-CD2 4.31Å; I277-Y279 PolarHBondContact O-N 2.89Å
278N78.7Confident73.5Confident85 Ų8593.2 Ų93.246%0.45545%0.452SS..THydrogen-bonded Turntrans57.433.6179-153.327.7000113.9Y274 E275 Y280 H281 T282Y274-N278 CarbonylContact O-C 3.34Å; Y274-N278 PolarHBondContact O-N 2.71Å; E275-N278 PolarHBondContact O-N 3.2Å; N278-Y280 VanDerWaalsContact C-N 3.29Å; N278-Y280 PolarHBondContact O-N 2.72Å; N278-H281 WeakPolarHBondContact ND2-CB 3.31Å; N278-H281 CarbonylContact O-C 3.6Å; N278-H281 PolarHBondContact O-N 2.69Å; N278-H281 VanDerWaalsContact OD1-CB 3.27Å; N278-H281 WeakPolarHBondContact OD1-CB 3.12Å; N278-H281 PolarHBondContact OD1-CD2 3.27Å; N278-T282 PolarHBondContact O-N 2.92Å; N278-T282 PolarHBondContact O-OG1 2.9Å
279Y76.3Confident72.1Confident114 Ų11499.5 Ų99.545%0.44748%0.477SS..THydrogen-bonded Turntrans-55.3-40.6-168.5-175-94.9000113.4Y274 I277 H281 T282Y274-Y279 HydrophobicContact CD1-CD1 4.18Å; Y274-Y279 HydrophobicContact CD1-CD2 4.03Å; Y274-Y279 AromaticContact CD1-CG 3.75Å; Y274-Y279 HydrophobicContact CD1-CG 3.75Å; Y274-Y279 AromaticContact CD2-CD1 3.88Å; Y274-Y279 HydrophobicContact CD2-CD1 3.88Å; Y274-Y279 HydrophobicContact CD2-CE1 4.41Å; Y274-Y279 HydrophobicContact CD2-CG 4.26Å; Y274-Y279 HydrophobicContact CE1-CD1 4.29Å; Y274-Y279 AromaticContact CE1-CD2 3.99Å; Y274-Y279 HydrophobicContact CE1-CD2 3.99Å; Y274-Y279 HydrophobicContact CE1-CE1 4.5Å; Y274-Y279 HydrophobicContact CE1-CE2 4.21Å; Y274-Y279 HydrophobicContact CE1-CG 4.04Å; Y274-Y279 AromaticContact CE2-CD1 4Å; Y274-Y279 HydrophobicContact CE2-CD1 4Å; Y274-Y279 HydrophobicContact CE2-CE1 4.07Å; Y274-Y279 AromaticContact CG-CD1 3.96Å; Y274-Y279 HydrophobicContact CG-CD1 3.96Å; Y274-Y279 AromaticContact CG-CG 3.86Å; Y274-Y279 HydrophobicContact CG-CG 3.86Å; Y274-Y279 WeakPolarHBondContact O-CB 3.44Å; Y274-Y279 PolarHBondContact O-N 3.14Å; I277-Y279 HydrophobicContact CD1-CD2 4.31Å; I277-Y279 PolarHBondContact O-N 2.89Å; Y279-H281 VanDerWaalsContact C-N 3.33Å; Y279-T282 VanDerWaalsContact C-OG1 3.25Å; Y279-T282 VanDerWaalsContact CA-OG1 3.26Å; Y279-T282 WeakPolarHBondContact CA-OG1 3.18Å; Y279-T282 PolarHBondContact O-OG1 3.48Å
280Y65Low71Confident140 Ų140101.3 Ų101.355%0.54949%0.493SS..THydrogen-bonded Turntrans-77.2-19.2-178.4-63.1-67.4000113.7Y274 N278Y274-Y280 HydrophobicContact CD2-CE1 4.44Å; Y274-Y280 AromaticContact CD2-CE2 3.88Å; Y274-Y280 HydrophobicContact CD2-CE2 3.88Å; Y274-Y280 AromaticContact CD2-CZ 3.65Å; Y274-Y280 WeakPolarHBondContact CD2-OH 3.44Å; Y274-Y280 HydrophobicContact CG-CE2 4.31Å; N278-Y280 VanDerWaalsContact C-N 3.29Å; N278-Y280 PolarHBondContact O-N 2.72Å
281H61.9Low70.2Confident105 Ų10595.6 Ų95.649%0.48648%0.478SS..THydrogen-bonded Turntrans-100.5-14.4175.8-63.9-77000112.9N278 Y279 H283N278-H281 WeakPolarHBondContact ND2-CB 3.31Å; N278-H281 CarbonylContact O-C 3.6Å; N278-H281 PolarHBondContact O-N 2.69Å; N278-H281 VanDerWaalsContact OD1-CB 3.27Å; N278-H281 WeakPolarHBondContact OD1-CB 3.12Å; N278-H281 PolarHBondContact OD1-CD2 3.27Å; Y279-H281 VanDerWaalsContact C-N 3.33Å; H281-H283 PolarHBondContact O-N 3.14Å
282T52.9Low69.8Low83 Ų8395.6 Ų95.651%0.50949%0.49SS..  trans-66.473.6157.936.70000108.8N278 Y279 V284N278-T282 PolarHBondContact O-N 2.92Å; N278-T282 PolarHBondContact O-OG1 2.9Å; Y279-T282 VanDerWaalsContact C-OG1 3.25Å; Y279-T282 VanDerWaalsContact CA-OG1 3.26Å; Y279-T282 WeakPolarHBondContact CA-OG1 3.18Å; Y279-T282 PolarHBondContact O-OG1 3.48Å; T282-V284 PolarHBondContact O-N 3.37Å
283H50.6Low69.5Low78 Ų7896 Ų9636%0.36150%0.495SS..  trans-61.991.2156.3-67.7-33.5000105.9H281 I285 T549H281-H283 PolarHBondContact O-N 3.14Å; H283-I285 PolarHBondContact O-N 3.32Å; H283-T549 PolarHBondContact NE2-OG1 3.27Å
284V46.9Very low69Low122 Ų12294.4 Ų94.474%0.73949%0.488SS*.  trans-5599.4145-1800000103T282 K286T282-V284 PolarHBondContact O-N 3.37Å; V284-K286 PolarHBondContact O-N 3Å
285I48.7Very low68.4Low85 Ų8594.7 Ų94.744%0.43651%0.506SS..  trans-58.296.5174.2-61.7176.3000103.2H283 P287H283-I285 PolarHBondContact O-N 3.32Å; I285-P287 WeakPolarHBondContact O-CD 3.41Å
286K49.4Very low68.4Low175 Ų17593.8 Ų93.876%0.76151%0.507SS*.  trans-56.8117.6177.1-86-174.5177.6176.90104.4V284 K288V284-K286 PolarHBondContact O-N 3Å; K286-K288 PolarHBondContact O-N 2.88Å
287P53.5Low68.5Low89 Ų8998.9 Ų98.958%0.57854%0.543SS*.  trans-52.8117.7-177.114.9-27.2000107.7I285 K289I285-P287 WeakPolarHBondContact O-CD 3.41Å; P287-K289 PolarHBondContact O-N 2.79Å; P287-K289 VanDerWaalsContact O-N 3.12Å
288K63.9Low68.6Low75 Ų7598 Ų9833%0.32655%0.545SS..  trans-68.7114.7178.5-75.7-177.3174.4160.40105.8K286 S290 V291 S294 H545 P546K286-K288 PolarHBondContact O-N 2.88Å; K288-S290 PolarHBondContact O-N 3.15Å; K288-V291 HydrophobicContact CB-CB 4.35Å; K288-V291 HydrophobicContact CB-CG2 4.18Å; K288-V291 PolarHBondContact O-N 3.08Å; K288-S294 PolarHBondContact N-OG 3.27Å; K288-H545 PolarHBondContact NZ-O 3.46Å; K288-P546 PolarHBondContact NZ-O 2.96Å
289K64.9Low69.1Low222 Ų22295.4 Ų95.497%0.96554%0.539SS*.THydrogen-bonded Turntrans-51.6-24.6-176.5-72.3-173.2176.7-176.40113.6P287P287-K289 PolarHBondContact O-N 2.79Å; P287-K289 VanDerWaalsContact O-N 3.12Å
290S71.5Confident69.7Low111 Ų11196.1 Ų96.178%0.77655%0.55SS**THydrogen-bonded Turntrans-87.3-1.8179.757.90000115K288K288-S290 PolarHBondContact O-N 3.15Å
291V74.1Confident71.2Confident56 Ų5691.6 Ų91.634%0.33954%0.537SS..SBendtrans-125.7110.1-174.6-178.50000109.3K288 S294K288-V291 HydrophobicContact CB-CB 4.35Å; K288-V291 HydrophobicContact CB-CG2 4.18Å; K288-V291 PolarHBondContact O-N 3.08Å; V291-S294 WeakPolarHBondContact O-CB 3.11Å; V291-S294 PolarHBondContact O-N 3.32Å
292A79.3Confident72.8Confident94 Ų9489.4 Ų89.478%0.77754%0.537SS*.THydrogen-bonded Turntrans-6214317100000110S294A292-S294 PolarHBondContact O-N 3.04Å
293L85.1Confident74.9Confident96 Ų9685.4 Ų85.450%0.50351%0.513SS..THydrogen-bonded Turntrans62.113.9-173.6-52.5174.4000115G295 V296 F478L293-G295 PolarHBondContact O-N 2.93Å; L293-V296 HydrophobicContact CB-CB 4.44Å; L293-V296 WeakPolarHBondContact O-CB 3.44Å; L293-V296 PolarHBondContact O-N 3.13Å; L293-F478 HydrophobicContact CD1-CE1 3.87Å; L293-F478 HydrophobicContact CD1-CZ 4.13Å
294S80.2Confident77Confident21 Ų2182 Ų8215%0.14750%0.498CS..THydrogen-bonded Turntrans-59127174.7-174.90000111.5K288 V291 A292 V296K288-S294 PolarHBondContact N-OG 3.27Å; V291-S294 WeakPolarHBondContact O-CB 3.11Å; V291-S294 PolarHBondContact O-N 3.32Å; A292-S294 PolarHBondContact O-N 3.04Å; S294-V296 PolarHBondContact O-N 2.73Å
295G76.8Confident79.2Confident54 Ų5478 Ų7856%0.55747%0.473SS*.THydrogen-bonded Turntrans74.54.8-179.600000114.2L293L293-G295 PolarHBondContact O-N 2.93Å
296V83.5Confident81.3Confident89 Ų8974.4 Ų74.454%0.53946%0.456SS..  trans-96.1117.3176-177.50000108.8L293 S294 A298L293-V296 HydrophobicContact CB-CB 4.44Å; L293-V296 WeakPolarHBondContact O-CB 3.44Å; L293-V296 PolarHBondContact O-N 3.13Å; S294-V296 PolarHBondContact O-N 2.73Å; V296-A298 PolarHBondContact O-N 3.07Å
297S87.6Confident82.9Confident119 Ų11966.7 Ų66.783%0.83243%0.425SS*.  trans-70.6110.3170.8-66.10000109.5
298A90Very high84.1Confident44 Ų4469.5 Ų69.536%0.36443%0.429SS..  trans-93.6-4.1-175.600000114.1V296 F473 F478V296-A298 PolarHBondContact O-N 3.07Å; A298-F473 HydrophobicContact CB-CD2 4.15Å; A298-F473 HydrophobicContact CB-CE2 4.33Å; A298-F478 HydrophobicContact CB-CD2 4.42Å; A298-F478 HydrophobicContact CB-CE2 3.56Å; A298-F478 HydrophobicContact CB-CZ 4.06Å
299G88.8Confident84.7Confident31 Ų3168 Ų6832%0.3243%0.428SS..SBendtrans171.8174.7178.700000112
300N90.2Very high85.3Confident129 Ų12957.4 Ų57.469%0.6938%0.382SS*.  trans-93.9148.7176.3-63.4-32.6000110.7R481N300-R481 PolarHBondContact O-NH2 3.49Å
301T94.8Very high86Confident45 Ų4555.4 Ų55.428%0.27636%0.362SS..  trans-148.2144.3169.9-171.80000111.5L303 E472 F473 H628 E631T301-L303 WeakPolarHBondContact OG1-CB 3.34Å; T301-L303 PolarHBondContact OG1-N 2.63Å; T301-E472 HydrophobicContact CG2-CG 4.34Å; T301-F473 HydrophobicContact CG2-CE1 4.39Å; T301-H628 PolarHBondContact OG1-CE1 3.07Å; T301-E631 WeakPolarHBondContact CA-OE2 3.29Å; T301-E631 VanDerWaalsContact CB-OE2 3.28Å; T301-E631 WeakPolarHBondContact CB-OE2 3.45Å; T301-E631 PolarHBondContact OG1-OE1 3.46Å; T301-E631 PolarHBondContact OG1-OE2 3.23Å
302A95.7Very high86.7Confident59 Ų5953.9 Ų53.949%0.48835%0.352SS..SBendtrans-109.610.2171.500000111.9E631A302-E631 WeakPolarHBondContact CA-OE1 3.19Å; A302-E631 PolarHBondContact N-OE1 3.02Å
303L97.6Very high87.5Confident0 Ų049.4 Ų49.40%032%0.315CS..SBendtrans-86.1-43-176-70.2164.5000112.8T301 Y315 R316 L336 A627 H628 E631T301-L303 WeakPolarHBondContact OG1-CB 3.34Å; T301-L303 PolarHBondContact OG1-N 2.63Å; L303-Y315 CarbonylContact O-C 3.55Å; L303-Y315 WeakPolarHBondContact O-CA 3.23Å; L303-R316 PolarHBondContact O-N 3.41Å; L303-L336 HydrophobicContact CD2-CD2 4.38Å; L303-A627 VanDerWaalsContact CD1-C 3.48Å; L303-A627 HydrophobicContact CD1-CB 3.76Å; L303-A627 HydrophobicContact CD2-CB 3.5Å; L303-A627 VanDerWaalsContact CD2-CB 3.5Å; L303-A627 HydrophobicContact CG-CB 4.31Å; L303-H628 HydrophobicContact CD1-CB 4.16Å; L303-H628 VanDerWaalsContact CD1-CD2 3.47Å; L303-H628 WeakPolarHBondContact CD1-CD2 3.11Å; L303-E631 HydrophobicContact CD1-CG 4.15Å; L303-E631 HydrophobicContact CG-CG 4.45Å
304C95.2Very high88.1Confident7 Ų747.1 Ų47.15%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-154.1148.3-168.7-177.40000112.3L313 H314 Y315 E470C304-L313 WeakPolarHBondContact SG-CD1 3.39Å; C304-H314 WeakPolarHBondContact CA-O 3.35Å; C304-H314 PolarHBondContact SG-O 3.48Å; C304-Y315 HydrophobicContact CB-CD1 4.39Å; C304-E470 HydrophobicContact CB-CG 3.53Å
305T93.1Very high89Confident36 Ų3646.1 Ų46.122%0.22130%0.295CS..EExtended strand (participates in β ladder)trans-125.7136166.964.90000109.6K308 L313 H314T305-K308 HydrophobicContact CG2-CD 4.23Å; T305-K308 VanDerWaalsContact CG2-CE 3.49Å; T305-L313 WeakPolarHBondContact O-CA 3.44Å; T305-H314 PolarHBondContact N-O 2.74Å; T305-H314 PolarHBondContact O-N 3.47Å
306V91.4Very high89.9Confident11 Ų1146.1 Ų46.17%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-123.6120.9-176.1-176.60000109.8K308 L313 E472 V547 Y548V306-K308 PolarHBondContact O-N 3.15Å; V306-L313 HydrophobicContact CG2-CD1 3.74Å; V306-E472 HydrophobicContact CG2-CB 3.58Å; V306-V547 HydrophobicContact CB-CG1 4.12Å; V306-V547 HydrophobicContact CG1-CB 3.89Å; V306-V547 HydrophobicContact CG1-CG1 3.64Å; V306-V547 HydrophobicContact CG1-CG2 4.42Å; V306-V547 WeakPolarHBondContact O-CG1 2.91Å; V306-Y548 HydrophobicContact CG1-CD1 4.28Å; V306-Y548 HydrophobicContact CG1-CE1 3.58Å; V306-Y548 HydrophobicContact CG1-CE2 4.32Å
307G84.5Confident90.5Very high12 Ų1244.9 Ų44.912%0.12428%0.283CS..  trans66.529.7166.500000115.2S309 G310 D312G307-S309 VanDerWaalsContact C-N 3.27Å; G307-S309 PolarHBondContact O-N 3.23Å; G307-G310 PolarHBondContact O-N 2.9Å; G307-D312 WeakPolarHBondContact CA-OD1 3.37Å; G307-D312 PolarHBondContact N-O 3.36Å; G307-D312 PolarHBondContact N-OD1 3.37Å
308K78.4Confident91Very high149 Ų14944.6 Ų44.665%0.64826%0.264SS*.SBendtrans-59.4-38.2172.5-72.7-173.8170.4-1780111.9T305 V306 D312T305-K308 HydrophobicContact CG2-CD 4.23Å; T305-K308 VanDerWaalsContact CG2-CE 3.49Å; V306-K308 PolarHBondContact O-N 3.15Å; K308-D312 PolarHBondContact N-OD1 3.41Å
309S75.9Confident91.3Very high43 Ų4344.8 Ų44.830%0.30126%0.259SS..SBendtrans-93-1.1171.567.10000113.3G307 N311 D312 I550G307-S309 VanDerWaalsContact C-N 3.27Å; G307-S309 PolarHBondContact O-N 3.23Å; S309-N311 PolarHBondContact OG-OD1 2.9Å; S309-D312 PolarHBondContact N-OD1 3.24Å; S309-D312 WeakPolarHBondContact OG-CB 3.45Å; S309-D312 PolarHBondContact OG-OD1 3.11Å; S309-D312 VanDerWaalsContact OG-OD1 3.13Å; S309-I550 WeakPolarHBondContact O-CD1 3.29Å
310G77.3Confident91.7Very high0 Ų043.3 Ų43.30%024%0.244CC..SBendtrans92.4-12.5-174.600000115.4G307 T549 I550G307-G310 PolarHBondContact O-N 2.9Å; G310-T549 WeakPolarHBondContact CA-OG1 3.32Å; G310-T549 PolarHBondContact O-N 2.98Å; G310-T549 VanDerWaalsContact O-N 3.11Å; G310-I550 PolarHBondContact O-N 3.36Å; G310-I550 VanDerWaalsContact O-N 3.12Å
311N86.2Confident92Very high69 Ų6939.6 Ų39.637%0.36922%0.224SC..SBendtrans-147.418.3-179.269.3-23000114.9S309 I550 A551 P553S309-N311 PolarHBondContact OG-OD1 2.9Å; N311-I550 HydrophobicContact CB-CB 4.11Å; N311-I550 HydrophobicContact CB-CG2 4.35Å; N311-A551 WeakPolarHBondContact CA-O 3.46Å; N311-P553 WeakPolarHBondContact O-CB 3.25Å; N311-P553 WeakPolarHBondContact O-CD 3.44Å; N311-P553 VanDerWaalsContact O-CG 3.28Å; N311-P553 WeakPolarHBondContact O-CG 3.49Å
312D90Very high92.1Very high24 Ų2441.8 Ų41.813%0.12823%0.234CC..  trans-109.3153-17764-34.3000112.6G307 K308 S309 H314 Y548G307-D312 WeakPolarHBondContact CA-OD1 3.37Å; G307-D312 PolarHBondContact N-O 3.36Å; G307-D312 PolarHBondContact N-OD1 3.37Å; K308-D312 PolarHBondContact N-OD1 3.41Å; S309-D312 PolarHBondContact N-OD1 3.24Å; S309-D312 WeakPolarHBondContact OG-CB 3.45Å; S309-D312 PolarHBondContact OG-OD1 3.11Å; S309-D312 VanDerWaalsContact OG-OD1 3.13Å; D312-H314 IonicContact OD2-CE1 3.59Å; D312-H314 PolarHBondContact OD2-CE1 2.78Å; D312-H314 IonicContact OD2-ND1 3.89Å; D312-Y548 WeakPolarHBondContact O-CE1 3.32Å
313L96.1Very high92.3Very high0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-144.1125.7173.8176.362.7000107.9C304 T305 V306 Y315 I320 P553 R554C304-L313 WeakPolarHBondContact SG-CD1 3.39Å; T305-L313 WeakPolarHBondContact O-CA 3.44Å; V306-L313 HydrophobicContact CG2-CD1 3.74Å; L313-Y315 HydrophobicContact CD1-CD1 4.46Å; L313-Y315 HydrophobicContact CD1-CE1 4.01Å; L313-Y315 HydrophobicContact CD2-CE1 3.96Å; L313-Y315 HydrophobicContact CG-CD1 4.43Å; L313-Y315 HydrophobicContact CG-CE1 3.94Å; L313-I320 HydrophobicContact CB-CB 3.96Å; L313-I320 HydrophobicContact CB-CG2 3.73Å; L313-I320 HydrophobicContact CD2-CB 4.02Å; L313-I320 HydrophobicContact CD2-CD1 4.21Å; L313-I320 HydrophobicContact CD2-CG1 3.87Å; L313-I320 HydrophobicContact CD2-CG2 4.29Å; L313-I320 HydrophobicContact CG-CB 3.99Å; L313-I320 HydrophobicContact CG-CG1 4.36Å; L313-I320 HydrophobicContact CG-CG2 4.28Å; L313-I320 WeakPolarHBondContact O-CB 3.4Å; L313-I320 PolarHBondContact O-N 3.43Å; L313-P553 HydrophobicContact CB-CG 3.81Å; L313-R554 HydrophobicContact CD2-CG 3.85Å
314H97.6Very high92.3Very high47 Ų4739.5 Ų39.522%0.21821%0.214CC..EExtended strand (participates in β ladder)trans-126.4132.5178.9-60.581.3000110.5C304 T305 D312 Y318C304-H314 WeakPolarHBondContact CA-O 3.35Å; C304-H314 PolarHBondContact SG-O 3.48Å; T305-H314 PolarHBondContact N-O 2.74Å; T305-H314 PolarHBondContact O-N 3.47Å; D312-H314 IonicContact OD2-CE1 3.59Å; D312-H314 PolarHBondContact OD2-CE1 2.78Å; D312-H314 IonicContact OD2-ND1 3.89Å; H314-Y318 CarbonylContact C-O 3.45Å; H314-Y318 WeakPolarHBondContact CA-O 3.49Å
315Y98.3Very high92.4Very high0 Ų046.2 Ų46.20%024%0.243CC..EExtended strand (participates in β ladder)trans-100.6116.2168.9-61.4-15.1000109.2L303 C304 L313 G317 Y318 I320 L323 V332 L336 V466 L467 A469 E470L303-Y315 CarbonylContact O-C 3.55Å; L303-Y315 WeakPolarHBondContact O-CA 3.23Å; C304-Y315 HydrophobicContact CB-CD1 4.39Å; L313-Y315 HydrophobicContact CD1-CD1 4.46Å; L313-Y315 HydrophobicContact CD1-CE1 4.01Å; L313-Y315 HydrophobicContact CD2-CE1 3.96Å; L313-Y315 HydrophobicContact CG-CD1 4.43Å; L313-Y315 HydrophobicContact CG-CE1 3.94Å; Y315-G317 PolarHBondContact O-N 3.23Å; Y315-Y318 PolarHBondContact N-O 2.9Å; Y315-Y318 WeakPolarHBondContact O-CD2 3.42Å; Y315-Y318 PolarHBondContact O-N 3.39Å; Y315-I320 HydrophobicContact CD2-CD1 4.1Å; Y315-I320 HydrophobicContact CE1-CD1 4.19Å; Y315-I320 HydrophobicContact CE2-CD1 3.48Å; Y315-I320 VanDerWaalsContact CE2-CD1 3.48Å; Y315-L323 HydrophobicContact CD2-CD1 3.66Å; Y315-L323 HydrophobicContact CG-CD1 4.05Å; Y315-V332 HydrophobicContact CD2-CG1 3.77Å; Y315-V332 HydrophobicContact CE2-CG1 3.96Å; Y315-L336 HydrophobicContact CG-CD2 4.46Å; Y315-V466 VanDerWaalsContact CE2-O 3.31Å; Y315-V466 WeakPolarHBondContact CE2-O 3.13Å; Y315-V466 PolarHBondContact OH-O 3.39Å; Y315-L467 PolarHBondContact OH-O 3.15Å; Y315-A469 HydrophobicContact CE2-CB 3.92Å; Y315-E470 HydrophobicContact CD1-CB 4.05Å; Y315-E470 HydrophobicContact CD1-CG 4.27Å; Y315-E470 HydrophobicContact CE1-CB 3.68Å; Y315-E470 HydrophobicContact CE1-CG 4.2Å; Y315-E470 WeakPolarHBondContact CE1-O 3.27Å; Y315-E470 HydrophobicContact CE2-CB 4.44Å; Y315-E470 PolarHBondContact OH-N 2.99Å; Y315-E470 PolarHBondContact OH-O 3.11Å
316R96.6Very high92.6Very high55 Ų5550.5 Ų50.521%0.20826%0.26CS..THydrogen-bonded Turntrans46.836.5-175-61.1-165.7176.3-80.98.8113.5L303 L335 L336L303-R316 PolarHBondContact O-N 3.41Å; R316-L335 HydrophobicContact CB-CD1 4.02Å; R316-L335 HydrophobicContact CB-CG 4.38Å; R316-L335 VanDerWaalsContact CD-O 3.29Å; R316-L335 WeakPolarHBondContact CD-O 3.4Å; R316-L335 HydrophobicContact CG-CD1 4.26Å; R316-L335 HydrophobicContact CG-CG 4.35Å; R316-L335 PolarHBondContact NE-O 3.33Å; R316-L336 PolarHBondContact NH2-O 3.32Å
317G94.6Very high92.9Very high62 Ų6251 Ų5164%0.63926%0.264SS*.THydrogen-bonded Turntrans91.8-7.4179.100000115.9Y315Y315-G317 PolarHBondContact O-N 3.23Å
318Y97.7Very high93.6Very high114 Ų11453.3 Ų53.345%0.44727%0.271SS..EExtended strand (participates in β ladder)trans-90.7133.1175.3-59.5-76.5000111.2H314 Y315 L323 L335 L341H314-Y318 CarbonylContact C-O 3.45Å; H314-Y318 WeakPolarHBondContact CA-O 3.49Å; Y315-Y318 PolarHBondContact N-O 2.9Å; Y315-Y318 WeakPolarHBondContact O-CD2 3.42Å; Y315-Y318 PolarHBondContact O-N 3.39Å; Y318-L323 HydrophobicContact CG-CD2 4.45Å; Y318-L335 HydrophobicContact CD2-CD1 4.26Å; Y318-L335 HydrophobicContact CD2-CD2 3.9Å; Y318-L335 HydrophobicContact CE2-CD1 4.02Å; Y318-L335 HydrophobicContact CE2-CD2 4.44Å; Y318-L341 HydrophobicContact CD1-CD1 4.45Å; Y318-L341 HydrophobicContact CD2-CD1 4.34Å; Y318-L341 HydrophobicContact CE1-CD1 4.09Å; Y318-L341 HydrophobicContact CE2-CD1 3.97Å; Y318-L341 HydrophobicContact CE2-CG 4.31Å
319D96.6Very high94.6Very high47 Ų4746.2 Ų46.225%0.25124%0.24SC..EExtended strand (participates in β ladder)trans-61.6133.6177.5-171-25.4000110.6L321 D322 L323D319-L321 PolarHBondContact O-N 3.01Å; D319-L321 WeakPolarHBondContact OD1-CB 3.28Å; D319-L321 WeakPolarHBondContact OD1-CG 3.41Å; D319-L321 PolarHBondContact OD1-N 3.36Å; D319-D322 PolarHBondContact O-N 2.95Å; D319-D322 VanDerWaalsContact O-N 3.15Å; D319-L323 WeakPolarHBondContact O-CG 3.31Å; D319-L323 PolarHBondContact O-N 3.18Å; D319-L323 VanDerWaalsContact O-N 3.07Å
320I97.6Very high95.6Very high0 Ų044.2 Ų44.20%023%0.226CC..Hα-helixtrans-56.1-32.3175.8-166.662.1000112.5L313 Y315 D322 L323 A324 V466 L467 P553 R554L313-I320 HydrophobicContact CB-CB 3.96Å; L313-I320 HydrophobicContact CB-CG2 3.73Å; L313-I320 HydrophobicContact CD2-CB 4.02Å; L313-I320 HydrophobicContact CD2-CD1 4.21Å; L313-I320 HydrophobicContact CD2-CG1 3.87Å; L313-I320 HydrophobicContact CD2-CG2 4.29Å; L313-I320 HydrophobicContact CG-CB 3.99Å; L313-I320 HydrophobicContact CG-CG1 4.36Å; L313-I320 HydrophobicContact CG-CG2 4.28Å; L313-I320 WeakPolarHBondContact O-CB 3.4Å; L313-I320 PolarHBondContact O-N 3.43Å; Y315-I320 HydrophobicContact CD2-CD1 4.1Å; Y315-I320 HydrophobicContact CE1-CD1 4.19Å; Y315-I320 HydrophobicContact CE2-CD1 3.48Å; Y315-I320 VanDerWaalsContact CE2-CD1 3.48Å; I320-D322 VanDerWaalsContact C-N 3.33Å; I320-L323 PolarHBondContact O-N 3.07Å; I320-A324 WeakPolarHBondContact O-CB 3.48Å; I320-A324 PolarHBondContact O-N 3Å; I320-V466 HydrophobicContact CD1-CG1 4.03Å; I320-L467 HydrophobicContact CD1-CD2 4.29Å; I320-L467 HydrophobicContact CG1-CD2 3.76Å; I320-P553 HydrophobicContact CG2-CB 4.03Å; I320-P553 HydrophobicContact CG2-CG 4.27Å; I320-R554 HydrophobicContact CG1-CG 4.29Å
321L96.7Very high96.7Very high51 Ų5146.1 Ų46.127%0.26724%0.235SC..Hα-helixtrans-69-35.6-178.5-58.1-178.9000111.4D319 K325 P553 Q556 V557D319-L321 PolarHBondContact O-N 3.01Å; D319-L321 WeakPolarHBondContact OD1-CB 3.28Å; D319-L321 WeakPolarHBondContact OD1-CG 3.41Å; D319-L321 PolarHBondContact OD1-N 3.36Å; L321-K325 VanDerWaalsContact O-CB 3.25Å; L321-K325 WeakPolarHBondContact O-CB 3.29Å; L321-K325 PolarHBondContact O-N 3.17Å; L321-P553 HydrophobicContact CD2-CB 4.44Å; L321-P553 WeakPolarHBondContact CD2-O 3.32Å; L321-Q556 HydrophobicContact CD2-CG 4.34Å; L321-V557 HydrophobicContact CD2-CG2 3.57Å
322D97.8Very high97.3Very high92 Ų9242.8 Ų42.849%0.49222%0.217SC..Hα-helixtrans-71.9-48.4174.7-70.5-31.2000110.4D319 I320 A324 K325 H326D319-D322 PolarHBondContact O-N 2.95Å; D319-D322 VanDerWaalsContact O-N 3.15Å; I320-D322 VanDerWaalsContact C-N 3.33Å; D322-A324 PolarHBondContact O-N 3.38Å; D322-K325 PolarHBondContact O-N 3.08Å; D322-K325 VanDerWaalsContact O-N 3.16Å; D322-H326 WeakPolarHBondContact O-CB 3.5Å; D322-H326 PolarHBondContact O-CD2 2.74Å; D322-H326 PolarHBondContact O-N 3.13Å
323L98.4Very high97.7Very high5 Ų541.7 Ų41.73%0.02621%0.211CC..Hα-helixtrans-58.8-48.1178.8-65.7-179.9000111.7Y315 Y318 D319 I320 K325 H326 C327 V332 L335 V466Y315-L323 HydrophobicContact CD2-CD1 3.66Å; Y315-L323 HydrophobicContact CG-CD1 4.05Å; Y318-L323 HydrophobicContact CG-CD2 4.45Å; D319-L323 WeakPolarHBondContact O-CG 3.31Å; D319-L323 PolarHBondContact O-N 3.18Å; D319-L323 VanDerWaalsContact O-N 3.07Å; I320-L323 PolarHBondContact O-N 3.07Å; L323-K325 PolarHBondContact O-N 3.3Å; L323-H326 PolarHBondContact O-N 3.01Å; L323-C327 VanDerWaalsContact O-CB 3.3Å; L323-C327 WeakPolarHBondContact O-CB 3.33Å; L323-C327 PolarHBondContact O-N 2.87Å; L323-V332 HydrophobicContact CB-CG2 4.33Å; L323-V332 HydrophobicContact CD1-CG2 4.48Å; L323-V332 HydrophobicContact CD2-CG2 4.46Å; L323-L335 HydrophobicContact CD1-CD2 4.32Å; L323-V466 HydrophobicContact CB-CG1 4.1Å
324A97.6Very high97.8Very high5 Ų542.5 Ų42.54%0.04122%0.215CC..Hα-helixtrans-67.7-21.9-179.100000113.3I320 D322 I463 V466 L467 V557I320-A324 WeakPolarHBondContact O-CB 3.48Å; I320-A324 PolarHBondContact O-N 3Å; D322-A324 PolarHBondContact O-N 3.38Å; A324-I463 HydrophobicContact CB-CG2 4.47Å; A324-V466 HydrophobicContact CB-CG1 4.2Å; A324-L467 HydrophobicContact CB-CD2 3.77Å; A324-L467 HydrophobicContact CB-CG 4.41Å; A324-V557 HydrophobicContact CB-CG1 4.01Å
325K97.2Very high97.9Very high149 Ų14940.4 Ų40.465%0.64821%0.205SC*.Hα-helixtrans-88-34.2178.5-177.5178.9170.1-1580112.5L321 D322 L323L321-K325 VanDerWaalsContact O-CB 3.25Å; L321-K325 WeakPolarHBondContact O-CB 3.29Å; L321-K325 PolarHBondContact O-N 3.17Å; D322-K325 PolarHBondContact O-N 3.08Å; D322-K325 VanDerWaalsContact O-N 3.16Å; L323-K325 PolarHBondContact O-N 3.3Å
326H97.8Very high97.9Very high125 Ų12540.4 Ų40.458%0.57921%0.205SC*.Hα-helixtrans-116.5-20.1-164.8-67.4-64.9000114.9D322 L323D322-H326 WeakPolarHBondContact O-CB 3.5Å; D322-H326 PolarHBondContact O-CD2 2.74Å; D322-H326 PolarHBondContact O-N 3.13Å; L323-H326 PolarHBondContact O-N 3.01Å
327C98.3Very high98Very high22 Ų2237.9 Ų37.915%0.14920%0.196CC..  trans-106.1146.9-176-66.20000112.5L323 E331 V332L323-C327 VanDerWaalsContact O-CB 3.3Å; L323-C327 WeakPolarHBondContact O-CB 3.33Å; L323-C327 PolarHBondContact O-N 2.87Å; C327-E331 VanDerWaalsContact CA-OE1 3.3Å; C327-E331 WeakPolarHBondContact CA-OE1 3.36Å; C327-E331 HydrophobicContact CB-CB 4.17Å; C327-V332 HydrophobicContact CB-CG2 3.96Å
328E98.5Very high98.1Very high60 Ų6037 Ų3728%0.2818%0.175SC..  trans-73.2159157.3-62.6172.316100110.2E330 E331 V332 K351E328-E330 VanDerWaalsContact C-N 3.26Å; E328-E330 PolarHBondContact O-N 3.33Å; E328-E331 HydrophobicContact CB-CG 4.46Å; E328-E331 PolarHBondContact N-OE1 3.42Å; E328-E331 WeakPolarHBondContact O-CB 3.49Å; E328-E331 PolarHBondContact O-N 3.44Å; E328-V332 PolarHBondContact O-N 2.89Å; E328-K351 IonicContact OE1-NZ 2.9Å; E328-K351 PolarHBondContact OE1-NZ 3.02Å; E328-K351 WeakPolarHBondContact OE2-CE 3.43Å; E328-K351 IonicContact OE2-NZ 3.93Å; E328-K351 PolarHBondContact OE2-NZ 3.13Å
329F98.8Very high98.1Very high0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-62.9-33.9-179.8173.6-120.1000112.4E331 V332 A333 L411 I440 H462 L465 V466 A469 T623F329-E331 VanDerWaalsContact C-N 3.3Å; F329-E331 PolarHBondContact O-N 2.86Å; F329-V332 CarbonylContact O-C 3.5Å; F329-V332 PolarHBondContact O-N 3.13Å; F329-V332 VanDerWaalsContact O-N 3.14Å; F329-A333 WeakPolarHBondContact O-CB 3.14Å; F329-A333 PolarHBondContact O-N 3.29Å; F329-L411 HydrophobicContact CE1-CD1 3.62Å; F329-L411 HydrophobicContact CZ-CD1 3.82Å; F329-I440 HydrophobicContact CD1-CB 4.09Å; F329-I440 HydrophobicContact CD1-CG1 4.37Å; F329-I440 HydrophobicContact CD1-CG2 4.38Å; F329-I440 HydrophobicContact CE1-CB 4.28Å; F329-I440 HydrophobicContact CE1-CG1 4.41Å; F329-I440 HydrophobicContact CE1-CG2 4.15Å; F329-H462 PolarHBondContact N-ND1 3.2Å; F329-H462 VanDerWaalsContact N-ND1 3.1Å; F329-L465 HydrophobicContact CB-CB 3.99Å; F329-L465 HydrophobicContact CB-CD1 4.39Å; F329-L465 HydrophobicContact CD1-CB 3.9Å; F329-L465 HydrophobicContact CD1-CD1 3.67Å; F329-L465 HydrophobicContact CD1-CG 4.39Å; F329-L465 HydrophobicContact CD2-CB 3.45Å; F329-L465 VanDerWaalsContact CD2-CB 3.45Å; F329-L465 HydrophobicContact CE1-CB 4.2Å; F329-L465 HydrophobicContact CE1-CD1 4.06Å; F329-L465 HydrophobicContact CE2-CB 3.83Å; F329-L465 HydrophobicContact CG-CB 3.49Å; F329-L465 VanDerWaalsContact CG-CB 3.49Å; F329-L465 HydrophobicContact CG-CD1 4.03Å; F329-L465 HydrophobicContact CG-CG 4.41Å; F329-L465 HydrophobicContact CZ-CB 4.18Å; F329-V466 HydrophobicContact CB-CG2 4.25Å; F329-V466 HydrophobicContact CD2-CG2 4.32Å; F329-A469 HydrophobicContact CE2-CB 4.1Å; F329-T623 HydrophobicContact CE2-CG2 4.14Å; F329-T623 HydrophobicContact CZ-CG2 3.71Å
330E98.8Very high98.1Very high2 Ų235.4 Ų35.41%0.00918%0.175CC..Hα-helixtrans-65.8-32.7179.4-69.371.7-162.700112E328 H334 L347 Y350 K351 L354 S439 I440 H462E328-E330 VanDerWaalsContact C-N 3.26Å; E328-E330 PolarHBondContact O-N 3.33Å; E330-H334 VanDerWaalsContact O-CB 3.29Å; E330-H334 WeakPolarHBondContact O-CB 3.44Å; E330-H334 PolarHBondContact O-N 3.26Å; E330-L347 HydrophobicContact CB-CD1 3.95Å; E330-Y350 HydrophobicContact CB-CD1 4.48Å; E330-Y350 WeakPolarHBondContact O-CE1 3.46Å; E330-K351 HydrophobicContact CB-CG 4.28Å; E330-K351 HydrophobicContact CG-CG 4.14Å; E330-L354 HydrophobicContact CG-CD1 3.98Å; E330-S439 WeakPolarHBondContact OE1-CA 3.33Å; E330-I440 WeakPolarHBondContact OE1-CG1 3.34Å; E330-I440 PolarHBondContact OE1-N 3.48Å; E330-H462 IonicContact OE2-CE1 2.69Å; E330-H462 PolarHBondContact OE2-CE1 2.95Å; E330-H462 IonicContact OE2-ND1 3.23Å
331E98.8Very high98.1Very high39 Ų3937.8 Ų37.818%0.18219%0.188CC..Hα-helixtrans-64.9-42.8172.3-64.7177.6-97.300111.1C327 E328 F329 H334 L335 L341 P342 L347C327-E331 VanDerWaalsContact CA-OE1 3.3Å; C327-E331 WeakPolarHBondContact CA-OE1 3.36Å; C327-E331 HydrophobicContact CB-CB 4.17Å; E328-E331 HydrophobicContact CB-CG 4.46Å; E328-E331 PolarHBondContact N-OE1 3.42Å; E328-E331 WeakPolarHBondContact O-CB 3.49Å; E328-E331 PolarHBondContact O-N 3.44Å; F329-E331 VanDerWaalsContact C-N 3.3Å; F329-E331 PolarHBondContact O-N 2.86Å; E331-H334 PolarHBondContact O-N 3.46Å; E331-L335 WeakPolarHBondContact O-CB 3.26Å; E331-L335 PolarHBondContact O-N 3.43Å; E331-L341 HydrophobicContact CB-CD2 4.3Å; E331-P342 HydrophobicContact CB-CG 4.24Å; E331-P342 HydrophobicContact CG-CG 4.11Å; E331-L347 HydrophobicContact CG-CD1 3.74Å; E331-L347 HydrophobicContact CG-CD2 3.63Å; E331-L347 HydrophobicContact CG-CG 4.28Å
332V98.9Very high98.2Very high0 Ų036.1 Ų36.10%018%0.179CC..Hα-helixtrans-71.4-39.3178.7176.60000111.4Y315 L323 C327 E328 F329 H334 L335 L336 V466 A469Y315-V332 HydrophobicContact CD2-CG1 3.77Å; Y315-V332 HydrophobicContact CE2-CG1 3.96Å; L323-V332 HydrophobicContact CB-CG2 4.33Å; L323-V332 HydrophobicContact CD1-CG2 4.48Å; L323-V332 HydrophobicContact CD2-CG2 4.46Å; C327-V332 HydrophobicContact CB-CG2 3.96Å; E328-V332 PolarHBondContact O-N 2.89Å; F329-V332 CarbonylContact O-C 3.5Å; F329-V332 PolarHBondContact O-N 3.13Å; F329-V332 VanDerWaalsContact O-N 3.14Å; V332-H334 VanDerWaalsContact C-N 3.3Å; V332-H334 PolarHBondContact O-N 3.07Å; V332-L335 WeakPolarHBondContact O-CB 3.5Å; V332-L335 PolarHBondContact O-N 3.23Å; V332-L336 HydrophobicContact CG1-CD1 4.08Å; V332-L336 WeakPolarHBondContact O-CG 3.24Å; V332-L336 PolarHBondContact O-N 2.82Å; V332-V466 HydrophobicContact CB-CG2 4.13Å; V332-V466 HydrophobicContact CG2-CB 4.48Å; V332-V466 HydrophobicContact CG2-CG1 4.03Å; V332-V466 HydrophobicContact CG2-CG2 3.72Å; V332-A469 HydrophobicContact CG1-CB 4.02Å
333A98.8Very high98.3Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-58.9-45.2171.700000110.7F329 L336 I337 Y350 L411 T623F329-A333 WeakPolarHBondContact O-CB 3.14Å; F329-A333 PolarHBondContact O-N 3.29Å; A333-L336 PolarHBondContact O-N 3.49Å; A333-I337 WeakPolarHBondContact O-CB 3.21Å; A333-I337 WeakPolarHBondContact O-CG1 3.2Å; A333-I337 PolarHBondContact O-N 3.21Å; A333-Y350 HydrophobicContact CB-CE1 4.32Å; A333-L411 HydrophobicContact CB-CD2 3.62Å; A333-T623 HydrophobicContact CB-CG2 3.57Å
334H98.8Very high98.3Very high18 Ų1846.1 Ų46.18%0.08322%0.219CC..Hα-helixtrans-63.4-43175.6-169.7-80.3000112E330 E331 V332 L336 H338 G339 K340 P342 Y350E330-H334 VanDerWaalsContact O-CB 3.29Å; E330-H334 WeakPolarHBondContact O-CB 3.44Å; E330-H334 PolarHBondContact O-N 3.26Å; E331-H334 PolarHBondContact O-N 3.46Å; V332-H334 VanDerWaalsContact C-N 3.3Å; V332-H334 PolarHBondContact O-N 3.07Å; H334-L336 VanDerWaalsContact C-N 3.33Å; H334-L336 PolarHBondContact O-N 3.07Å; H334-H338 AromaticContact CD2-CD2 3.7Å; H334-H338 AromaticContact CD2-CG 3.95Å; H334-H338 AromaticContact NE2-CG 3.92Å; H334-H338 CarbonylContact O-C 3.45Å; H334-H338 VanDerWaalsContact O-CA 3.31Å; H334-H338 WeakPolarHBondContact O-CA 3.42Å; H334-H338 VanDerWaalsContact O-CB 3.26Å; H334-H338 WeakPolarHBondContact O-CB 3.22Å; H334-H338 PolarHBondContact O-N 3.28Å; H334-G339 PolarHBondContact O-N 3.12Å; H334-K340 CarbonylContact C-O 3.6Å; H334-K340 PolarHBondContact ND1-O 2.97Å; H334-P342 HydrophobicContact CB-CB 4.47Å; H334-P342 HydrophobicContact CB-CG 4.07Å; H334-Y350 HydrophobicContact CB-CD1 3.86Å; H334-Y350 HydrophobicContact CB-CE1 3.79Å; H334-Y350 AromaticContact CD2-CD1 3.92Å; H334-Y350 AromaticContact CD2-CG 3.81Å
335L98.8Very high98.3Very high2 Ų252.4 Ų52.41%0.0125%0.252CS..Hα-helixtrans-55.1-48174.1174.664.9000111.9R316 Y318 L323 E331 V332 G339 K340 L341R316-L335 HydrophobicContact CB-CD1 4.02Å; R316-L335 HydrophobicContact CB-CG 4.38Å; R316-L335 VanDerWaalsContact CD-O 3.29Å; R316-L335 WeakPolarHBondContact CD-O 3.4Å; R316-L335 HydrophobicContact CG-CD1 4.26Å; R316-L335 HydrophobicContact CG-CG 4.35Å; R316-L335 PolarHBondContact NE-O 3.33Å; Y318-L335 HydrophobicContact CD2-CD1 4.26Å; Y318-L335 HydrophobicContact CD2-CD2 3.9Å; Y318-L335 HydrophobicContact CE2-CD1 4.02Å; Y318-L335 HydrophobicContact CE2-CD2 4.44Å; L323-L335 HydrophobicContact CD1-CD2 4.32Å; E331-L335 WeakPolarHBondContact O-CB 3.26Å; E331-L335 PolarHBondContact O-N 3.43Å; V332-L335 WeakPolarHBondContact O-CB 3.5Å; V332-L335 PolarHBondContact O-N 3.23Å; L335-G339 CarbonylContact O-C 3.59Å; L335-G339 WeakPolarHBondContact O-CA 3.49Å; L335-G339 PolarHBondContact O-N 3.4Å; L335-K340 VanDerWaalsContact CA-O 3.31Å; L335-K340 WeakPolarHBondContact CA-O 3.31Å; L335-K340 PolarHBondContact N-O 2.81Å; L335-L341 HydrophobicContact CB-CD2 4.2Å; L335-L341 HydrophobicContact CD1-CG 4.23Å; L335-L341 HydrophobicContact CD2-CD2 4.3Å; L335-L341 HydrophobicContact CD2-CG 4.42Å
336L98.7Very high98.4Very high0 Ų048.2 Ų48.20%024%0.235CC..Hα-helixtrans-71.9-54.1-176.4-67.5170.5000111.6L303 Y315 R316 V332 A333 H334 A469 E470 A627L303-L336 HydrophobicContact CD2-CD2 4.38Å; Y315-L336 HydrophobicContact CG-CD2 4.46Å; R316-L336 PolarHBondContact NH2-O 3.32Å; V332-L336 HydrophobicContact CG1-CD1 4.08Å; V332-L336 WeakPolarHBondContact O-CG 3.24Å; V332-L336 PolarHBondContact O-N 2.82Å; A333-L336 PolarHBondContact O-N 3.49Å; H334-L336 VanDerWaalsContact C-N 3.33Å; H334-L336 PolarHBondContact O-N 3.07Å; L336-A469 HydrophobicContact CD1-CB 3.78Å; L336-E470 HydrophobicContact CD1-CB 3.85Å; L336-E470 HydrophobicContact CD2-CB 4.07Å; L336-E470 HydrophobicContact CD2-CG 4.15Å; L336-A627 HydrophobicContact CB-CB 4.38Å; L336-A627 WeakPolarHBondContact O-CB 3.44Å
337I98.6Very high98.4Very high3 Ų343.4 Ų43.42%0.01521%0.213CC..Hα-helixtrans-73.6-44.6-173.7-63.2169.3000111.8A333 R404 A407 L411 T623A333-I337 WeakPolarHBondContact O-CB 3.21Å; A333-I337 WeakPolarHBondContact O-CG1 3.2Å; A333-I337 PolarHBondContact O-N 3.21Å; I337-R404 HydrophobicContact CG2-CB 4.07Å; I337-R404 HydrophobicContact CG2-CG 3.83Å; I337-R404 PolarHBondContact O-NE 2.83Å; I337-A407 HydrophobicContact CD1-CB 4Å; I337-A407 HydrophobicContact CG1-CB 4.3Å; I337-A407 HydrophobicContact CG2-CB 4.01Å; I337-L411 HydrophobicContact CD1-CD2 4.37Å; I337-T623 HydrophobicContact CD1-CG2 4.16Å
338H98.1Very high98.4Very high42 Ų4245 Ų4519%0.19423%0.227CC..Hα-helixtrans-100.2-12.4-173.1-61.5-80.6000113.2H334 Y350 R404 D408H334-H338 AromaticContact CD2-CD2 3.7Å; H334-H338 AromaticContact CD2-CG 3.95Å; H334-H338 AromaticContact NE2-CG 3.92Å; H334-H338 CarbonylContact O-C 3.45Å; H334-H338 VanDerWaalsContact O-CA 3.31Å; H334-H338 WeakPolarHBondContact O-CA 3.42Å; H334-H338 VanDerWaalsContact O-CB 3.26Å; H334-H338 WeakPolarHBondContact O-CB 3.22Å; H334-H338 PolarHBondContact O-N 3.28Å; H338-Y350 AromaticContact CD2-CE2 3.9Å; H338-Y350 AromaticContact NE2-CE2 3.46Å; H338-Y350 WeakPolarHBondContact NE2-CE2 3.47Å; H338-Y350 AromaticContact NE2-CZ 3.88Å; H338-R404 PolarHBondContact O-NH2 3.15Å; H338-D408 IonicContact CE1-OD1 3.56Å; H338-D408 IonicContact CE1-OD2 2.65Å; H338-D408 PolarHBondContact CE1-OD2 2.64Å; H338-D408 IonicContact NE2-OD1 3.54Å; H338-D408 PolarHBondContact NE2-OD1 3.02Å; H338-D408 VanDerWaalsContact NE2-OD1 3.07Å; H338-D408 IonicContact NE2-OD2 3.25Å; H338-D408 PolarHBondContact NE2-OD2 2.93Å
339G96.5Very high98.4Very high23 Ų2345 Ų4524%0.23724%0.238CC..SBendtrans97.1-1.1164.900000115.8H334 L335H334-G339 PolarHBondContact O-N 3.12Å; L335-G339 CarbonylContact O-C 3.59Å; L335-G339 WeakPolarHBondContact O-CA 3.49Å; L335-G339 PolarHBondContact O-N 3.4Å
340K97.1Very high98.4Very high105 Ų10545.4 Ų45.446%0.45724%0.24SC..SBendtrans-150.2153178.863.9172.1-173.5166.10111.3H334 L335 E346H334-K340 CarbonylContact C-O 3.6Å; H334-K340 PolarHBondContact ND1-O 2.97Å; L335-K340 VanDerWaalsContact CA-O 3.31Å; L335-K340 WeakPolarHBondContact CA-O 3.31Å; L335-K340 PolarHBondContact N-O 2.81Å; K340-E346 WeakPolarHBondContact CE-OE1 3.46Å; K340-E346 IonicContact NZ-OE1 3.71Å; K340-E346 PolarHBondContact NZ-OE1 3.03Å; K340-E346 IonicContact NZ-OE2 3.06Å; K340-E346 PolarHBondContact NZ-OE2 3.13Å
341L98.2Very high98.4Very high51 Ų5146 Ų4627%0.26724%0.242SC..PPolyproline II helixtrans-60.5134.8165.9-77.6169.8000108.9Y318 E331 L335Y318-L341 HydrophobicContact CD1-CD1 4.45Å; Y318-L341 HydrophobicContact CD2-CD1 4.34Å; Y318-L341 HydrophobicContact CE1-CD1 4.09Å; Y318-L341 HydrophobicContact CE2-CD1 3.97Å; Y318-L341 HydrophobicContact CE2-CG 4.31Å; E331-L341 HydrophobicContact CB-CD2 4.3Å; L335-L341 HydrophobicContact CB-CD2 4.2Å; L335-L341 HydrophobicContact CD1-CG 4.23Å; L335-L341 HydrophobicContact CD2-CD2 4.3Å; L335-L341 HydrophobicContact CD2-CG 4.42Å
342P98.4Very high98.4Very high15 Ų1548.5 Ų48.510%0.09726%0.26CS..PPolyproline II helixtrans-74.5149.1179.730.5-32.6000111E331 H334 E346 L347E331-P342 HydrophobicContact CB-CG 4.24Å; E331-P342 HydrophobicContact CG-CG 4.11Å; H334-P342 HydrophobicContact CB-CB 4.47Å; H334-P342 HydrophobicContact CB-CG 4.07Å; P342-E346 HydrophobicContact CB-CB 3.78Å; P342-L347 HydrophobicContact CB-CB 4.13Å; P342-L347 HydrophobicContact CG-CB 3.99Å; P342-L347 HydrophobicContact CG-CD1 4.07Å
343T98.5Very high98.3Very high80 Ų8051.9 Ų51.949%0.49128%0.275SS..PPolyproline II helixtrans-68.3169.315960.80000110.6D345 E346 L347T343-D345 VanDerWaalsContact C-N 3.31Å; T343-D345 PolarHBondContact O-N 2.98Å; T343-E346 PolarHBondContact N-OE2 3.18Å; T343-E346 PolarHBondContact O-N 2.76Å; T343-E346 WeakPolarHBondContact OG1-CB 3.46Å; T343-E346 VanDerWaalsContact OG1-CG 3.24Å; T343-E346 WeakPolarHBondContact OG1-CG 3.24Å; T343-E346 PolarHBondContact OG1-N 2.83Å; T343-E346 PolarHBondContact OG1-OE2 2.9Å; T343-L347 WeakPolarHBondContact O-CB 3.11Å; T343-L347 PolarHBondContact O-N 3.24Å
344R98.2Very high98.3Very high228 Ų22852 Ų5286%0.8628%0.275SS*.Hα-helixtrans-55.7-44.3178.3-72.3-177.5176.8177.6-1.2112.9L347 A348R344-L347 PolarHBondContact O-N 3.22Å; R344-A348 PolarHBondContact O-N 2.85Å
345D98.4Very high98.3Very high137 Ų13754 Ų5473%0.73328%0.284SS*.Hα-helixtrans-69.6-39.8-179.9-62.6-21.1000111.4T343 L347 A348 A349T343-D345 VanDerWaalsContact C-N 3.31Å; T343-D345 PolarHBondContact O-N 2.98Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 3.4Å; D345-A348 PolarHBondContact O-N 3.25Å; D345-A349 WeakPolarHBondContact O-CB 3.4Å; D345-A349 PolarHBondContact O-N 2.73Å
346E98.5Very high98.3Very high61 Ų6158 Ų5829%0.28532%0.317SS..Hα-helixtrans-63-40.5174.6-72.7171.9146.100111.6K340 P342 T343 A349 Y350K340-E346 WeakPolarHBondContact CE-OE1 3.46Å; K340-E346 IonicContact NZ-OE1 3.71Å; K340-E346 PolarHBondContact NZ-OE1 3.03Å; K340-E346 IonicContact NZ-OE2 3.06Å; K340-E346 PolarHBondContact NZ-OE2 3.13Å; P342-E346 HydrophobicContact CB-CB 3.78Å; T343-E346 PolarHBondContact N-OE2 3.18Å; T343-E346 PolarHBondContact O-N 2.76Å; T343-E346 WeakPolarHBondContact OG1-CB 3.46Å; T343-E346 VanDerWaalsContact OG1-CG 3.24Å; T343-E346 WeakPolarHBondContact OG1-CG 3.24Å; T343-E346 PolarHBondContact OG1-N 2.83Å; T343-E346 PolarHBondContact OG1-OE2 2.9Å; E346-A349 PolarHBondContact O-N 2.78Å; E346-Y350 VanDerWaalsContact O-CB 3.22Å; E346-Y350 WeakPolarHBondContact O-CB 3.33Å; E346-Y350 PolarHBondContact O-N 3.43Å
347L98.7Very high98.3Very high23 Ų2360.2 Ų60.212%0.1233%0.329CS..Hα-helixtrans-66-44.9177.5-17961.6000111.5E330 E331 P342 T343 R344 D345 A349 Y350 K351E330-L347 HydrophobicContact CB-CD1 3.95Å; E331-L347 HydrophobicContact CG-CD1 3.74Å; E331-L347 HydrophobicContact CG-CD2 3.63Å; E331-L347 HydrophobicContact CG-CG 4.28Å; P342-L347 HydrophobicContact CB-CB 4.13Å; P342-L347 HydrophobicContact CG-CB 3.99Å; P342-L347 HydrophobicContact CG-CD1 4.07Å; T343-L347 WeakPolarHBondContact O-CB 3.11Å; T343-L347 PolarHBondContact O-N 3.24Å; R344-L347 PolarHBondContact O-N 3.22Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 3.4Å; L347-A349 VanDerWaalsContact C-N 3.33Å; L347-A349 PolarHBondContact O-N 3Å; L347-Y350 PolarHBondContact O-N 2.82Å; L347-K351 HydrophobicContact CD1-CD 4.47Å; L347-K351 HydrophobicContact CD1-CG 4.31Å; L347-K351 HydrophobicContact CG-CD 4.36Å; L347-K351 WeakPolarHBondContact O-CB 3.29Å; L347-K351 WeakPolarHBondContact O-CG 3.26Å; L347-K351 PolarHBondContact O-N 2.96Å
348A98.5Very high98.3Very high55 Ų5560.1 Ų60.146%0.45533%0.328SS..Hα-helixtrans-60.9-43.7177.300000111.5R344 D345 T352R344-A348 PolarHBondContact O-N 2.85Å; D345-A348 PolarHBondContact O-N 3.25Å; A348-T352 WeakPolarHBondContact O-CB 3.31Å; A348-T352 PolarHBondContact O-N 3.28Å; A348-T352 PolarHBondContact O-OG1 3.02Å
349A98.5Very high98.3Very high60 Ų6058.7 Ų58.750%0.49633%0.325SS..Hα-helixtrans-64-41.8174.300000111.8D345 E346 L347 T352 K353D345-A349 WeakPolarHBondContact O-CB 3.4Å; D345-A349 PolarHBondContact O-N 2.73Å; E346-A349 PolarHBondContact O-N 2.78Å; L347-A349 VanDerWaalsContact C-N 3.33Å; L347-A349 PolarHBondContact O-N 3Å; A349-T352 WeakPolarHBondContact O-CB 3.41Å; A349-T352 PolarHBondContact O-N 2.96Å; A349-K353 PolarHBondContact O-N 3.41Å
350Y98.6Very high98.3Very high10 Ų1057.9 Ų57.94%0.03932%0.315CS..Hα-helixtrans-65-46.2179.6-170.2-129.5000112.1E330 A333 H334 H338 E346 L347 T352 K353 L354 D408E330-Y350 HydrophobicContact CB-CD1 4.48Å; E330-Y350 WeakPolarHBondContact O-CE1 3.46Å; A333-Y350 HydrophobicContact CB-CE1 4.32Å; H334-Y350 HydrophobicContact CB-CD1 3.86Å; H334-Y350 HydrophobicContact CB-CE1 3.79Å; H334-Y350 AromaticContact CD2-CD1 3.92Å; H334-Y350 AromaticContact CD2-CG 3.81Å; H338-Y350 AromaticContact CD2-CE2 3.9Å; H338-Y350 AromaticContact NE2-CE2 3.46Å; H338-Y350 WeakPolarHBondContact NE2-CE2 3.47Å; H338-Y350 AromaticContact NE2-CZ 3.88Å; E346-Y350 VanDerWaalsContact O-CB 3.22Å; E346-Y350 WeakPolarHBondContact O-CB 3.33Å; E346-Y350 PolarHBondContact O-N 3.43Å; L347-Y350 PolarHBondContact O-N 2.82Å; Y350-T352 VanDerWaalsContact C-N 3.3Å; Y350-T352 PolarHBondContact O-N 3.23Å; Y350-K353 WeakPolarHBondContact O-CB 3.36Å; Y350-K353 PolarHBondContact O-N 3.33Å; Y350-L354 HydrophobicContact CD1-CD1 4.01Å; Y350-L354 HydrophobicContact CD2-CG 4.47Å; Y350-L354 HydrophobicContact CE1-CD1 3.7Å; Y350-L354 HydrophobicContact CE1-CG 4.36Å; Y350-L354 HydrophobicContact CE2-CD1 4.43Å; Y350-L354 HydrophobicContact CE2-CD2 4.2Å; Y350-L354 HydrophobicContact CE2-CG 4.22Å; Y350-L354 WeakPolarHBondContact O-CG 3.41Å; Y350-L354 PolarHBondContact O-N 2.8Å; Y350-D408 VanDerWaalsContact CE2-OD1 3.24Å; Y350-D408 WeakPolarHBondContact CE2-OD1 3.39Å; Y350-D408 PolarHBondContact OH-OD1 3.38Å
351K98.6Very high98.4Very high14 Ų1454.4 Ų54.46%0.06130%0.304CS..Hα-helixtrans-59.1-40.8173.3-75.9-179.8166.9-173.90112.3E328 E330 L347 L354 K355 D438E328-K351 IonicContact OE1-NZ 2.9Å; E328-K351 PolarHBondContact OE1-NZ 3.02Å; E328-K351 WeakPolarHBondContact OE2-CE 3.43Å; E328-K351 IonicContact OE2-NZ 3.93Å; E328-K351 PolarHBondContact OE2-NZ 3.13Å; E330-K351 HydrophobicContact CB-CG 4.28Å; E330-K351 HydrophobicContact CG-CG 4.14Å; L347-K351 HydrophobicContact CD1-CD 4.47Å; L347-K351 HydrophobicContact CD1-CG 4.31Å; L347-K351 HydrophobicContact CG-CD 4.36Å; L347-K351 WeakPolarHBondContact O-CB 3.29Å; L347-K351 WeakPolarHBondContact O-CG 3.26Å; L347-K351 PolarHBondContact O-N 2.96Å; K351-L354 PolarHBondContact O-N 3.45Å; K351-K355 WeakPolarHBondContact O-CB 3.4Å; K351-K355 WeakPolarHBondContact O-CE 3.22Å; K351-K355 WeakPolarHBondContact O-CG 3.48Å; K351-K355 PolarHBondContact O-N 2.85Å; K351-D438 WeakPolarHBondContact CD-OD2 3.23Å; K351-D438 WeakPolarHBondContact CE-OD2 3.22Å; K351-D438 IonicContact NZ-OD2 3.73Å; K351-D438 PolarHBondContact NZ-OD2 2.69Å
352T98.5Very high98.4Very high91 Ų9155.3 Ų55.356%0.55832%0.318SS*.Hα-helixtrans-62.7-44.6175.8-59.50000111.2A348 A349 Y350 K355 A356A348-T352 WeakPolarHBondContact O-CB 3.31Å; A348-T352 PolarHBondContact O-N 3.28Å; A348-T352 PolarHBondContact O-OG1 3.02Å; A349-T352 WeakPolarHBondContact O-CB 3.41Å; A349-T352 PolarHBondContact O-N 2.96Å; Y350-T352 VanDerWaalsContact C-N 3.3Å; Y350-T352 PolarHBondContact O-N 3.23Å; T352-K355 PolarHBondContact O-N 3.23Å; T352-A356 PolarHBondContact O-N 3.23Å
353K98.4Very high98.4Very high71 Ų7159.6 Ų59.631%0.30934%0.34SS..Hα-helixtrans-58.9-50.7174.3-176.9-172.8-178.5-174.30111.1A349 Y350 K355 A356 L357 D405 D408A349-K353 PolarHBondContact O-N 3.41Å; Y350-K353 WeakPolarHBondContact O-CB 3.36Å; Y350-K353 PolarHBondContact O-N 3.33Å; K353-K355 PolarHBondContact O-N 3.42Å; K353-A356 PolarHBondContact O-N 3.47Å; K353-L357 HydrophobicContact CG-CD1 4Å; K353-L357 WeakPolarHBondContact O-CG 3.38Å; K353-L357 PolarHBondContact O-N 3.01Å; K353-D405 IonicContact NZ-OD1 3.43Å; K353-D405 PolarHBondContact NZ-OD1 2.91Å; K353-D408 WeakPolarHBondContact CE-OD2 3.43Å; K353-D408 IonicContact NZ-OD2 3.44Å; K353-D408 PolarHBondContact NZ-OD2 3.39Å
354L98.6Very high98.4Very high3 Ų355.8 Ų55.82%0.01632%0.317CS..Hα-helixtrans-61.3-43.2-178.9-68.1177.3000111.8E330 Y350 K351 A356 L357 R358 D408 L411 A412E330-L354 HydrophobicContact CG-CD1 3.98Å; Y350-L354 HydrophobicContact CD1-CD1 4.01Å; Y350-L354 HydrophobicContact CD2-CG 4.47Å; Y350-L354 HydrophobicContact CE1-CD1 3.7Å; Y350-L354 HydrophobicContact CE1-CG 4.36Å; Y350-L354 HydrophobicContact CE2-CD1 4.43Å; Y350-L354 HydrophobicContact CE2-CD2 4.2Å; Y350-L354 HydrophobicContact CE2-CG 4.22Å; Y350-L354 WeakPolarHBondContact O-CG 3.41Å; Y350-L354 PolarHBondContact O-N 2.8Å; K351-L354 PolarHBondContact O-N 3.45Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.4Å; L354-L357 PolarHBondContact O-N 2.85Å; L354-R358 PolarHBondContact O-N 3.22Å; L354-D408 HydrophobicContact CD2-CB 3.99Å; L354-D408 WeakPolarHBondContact CD2-O 3.47Å; L354-L411 HydrophobicContact CD1-CD2 4.15Å; L354-L411 HydrophobicContact CD2-CD2 4.14Å; L354-A412 HydrophobicContact CB-CB 4.44Å; L354-A412 HydrophobicContact CD2-CB 4.25Å; L354-A412 WeakPolarHBondContact O-CB 3.36Å
355K98.4Very high98.4Very high60 Ų6048.4 Ų48.426%0.26129%0.289SS..Hα-helixtrans-55.1-46.2174.6-80.8-177.5-96.7-1630112.3K351 T352 K353 L357 R358 D438K351-K355 WeakPolarHBondContact O-CB 3.4Å; K351-K355 WeakPolarHBondContact O-CE 3.22Å; K351-K355 WeakPolarHBondContact O-CG 3.48Å; K351-K355 PolarHBondContact O-N 2.85Å; T352-K355 PolarHBondContact O-N 3.23Å; K353-K355 PolarHBondContact O-N 3.42Å; K355-L357 PolarHBondContact O-N 3.49Å; K355-R358 PolarHBondContact O-N 2.83Å; K355-D438 IonicContact NZ-OD1 3.91Å; K355-D438 PolarHBondContact NZ-OD1 3.27Å
356A98Very high98.4Very high86 Ų8646.3 Ų46.371%0.71128%0.281SS*.Hα-helixtrans-66.3-18.3178.400000113.8T352 K353 L354T352-A356 PolarHBondContact O-N 3.23Å; K353-A356 PolarHBondContact O-N 3.47Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.4Å
357L98.3Very high98.4Very high46 Ų4646 Ų4624%0.24128%0.284CS..THydrogen-bonded Turntrans-95.50.5-178-67.5173.5000114K353 L354 K355 G359 D408 K409 A412K353-L357 HydrophobicContact CG-CD1 4Å; K353-L357 WeakPolarHBondContact O-CG 3.38Å; K353-L357 PolarHBondContact O-N 3.01Å; L354-L357 PolarHBondContact O-N 2.85Å; K355-L357 PolarHBondContact O-N 3.49Å; L357-G359 PolarHBondContact O-N 2.9Å; L357-D408 HydrophobicContact CD1-CB 4.07Å; L357-K409 HydrophobicContact CB-CD 4.13Å; L357-K409 HydrophobicContact CD2-CD 4.14Å; L357-K409 WeakPolarHBondContact O-CD 3.38Å; L357-K409 PolarHBondContact O-NZ 3.41Å; L357-A412 HydrophobicContact CB-CB 3.59Å
358R98.5Very high98.4Very high1 Ų144.9 Ų44.90%0.00428%0.278CS..  trans-65.2-34.1-179-71.4171176.1169.12113.8L354 K355 A412 S416 E434 T435 D437 S439L354-R358 PolarHBondContact O-N 3.22Å; K355-R358 PolarHBondContact O-N 2.83Å; R358-A412 HydrophobicContact CG-CB 4.46Å; R358-A412 WeakPolarHBondContact CG-O 3.22Å; R358-S416 WeakPolarHBondContact O-CB 3.37Å; R358-S416 PolarHBondContact O-OG 3.08Å; R358-S416 VanDerWaalsContact O-OG 3.09Å; R358-E434 HydrophobicContact CB-CB 4.46Å; R358-E434 HydrophobicContact CB-CG 4.01Å; R358-T435 PolarHBondContact NH1-O 2.99Å; R358-D437 VanDerWaalsContact CZ-O 3.27Å; R358-D437 PolarHBondContact NH1-O 3.4Å; R358-D437 PolarHBondContact NH2-O 2.99Å; R358-S439 PolarHBondContact NH2-O 3.31Å; R358-S439 VanDerWaalsContact NH2-O 3.15Å
359G97.9Very high98.4Very high13 Ų1344.4 Ų44.413%0.13427%0.266CS..PPolyproline II helixtrans-59.8146.5-172.900000115.5L357 K409 E434L357-G359 PolarHBondContact O-N 2.9Å; G359-K409 PolarHBondContact O-NZ 2.82Å; G359-E434 VanDerWaalsContact CA-CD 3.49Å; G359-E434 WeakPolarHBondContact CA-OE1 3.48Å
360L98.5Very high98.4Very high5 Ų545.4 Ų45.43%0.02627%0.274CS..PPolyproline II helixtrans-102.2131179.4-58.2-176.9000111.9R365 L368 I417 Y420 P433L360-R365 HydrophobicContact CB-CG 3.88Å; L360-R365 HydrophobicContact CD1-CG 4.48Å; L360-R365 PolarHBondContact O-NE 3.32Å; L360-R365 PolarHBondContact O-NH2 3.03Å; L360-L368 HydrophobicContact CD1-CD1 3.89Å; L360-I417 HydrophobicContact CD2-CG1 3.68Å; L360-Y420 HydrophobicContact CD1-CG 4.15Å; L360-P433 HydrophobicContact CB-CG 4.45Å; L360-P433 HydrophobicContact CD1-CB 4.26Å; L360-P433 HydrophobicContact CG-CB 4.03Å; L360-P433 HydrophobicContact CG-CG 4.27Å
361P98.1Very high98.4Very high33 Ų3346.5 Ų46.521%0.21428%0.281CS..PPolyproline II helixtrans-59.2150.7170.2-22.132.6000112.2N363 V364 R365 L388 T391 L392P361-N363 VanDerWaalsContact C-N 3.3Å; P361-N363 PolarHBondContact O-N 3.17Å; P361-V364 HydrophobicContact CB-CG2 4.17Å; P361-V364 HydrophobicContact CG-CG2 4.09Å; P361-V364 PolarHBondContact O-N 3.42Å; P361-R365 PolarHBondContact O-N 2.87Å; P361-R365 VanDerWaalsContact O-N 3.08Å; P361-L388 HydrophobicContact CG-CD1 4.09Å; P361-T391 HydrophobicContact CB-CG2 3.79Å; P361-T391 HydrophobicContact CG-CG2 4.07Å; P361-L392 HydrophobicContact CG-CD1 4.35Å
362A97.8Very high98.3Very high69 Ų6949.8 Ų49.857%0.5730%0.304SS*.Hα-helixtrans-55.1-43.5-179.400000112.6V364 R365 T366A362-V364 VanDerWaalsContact C-N 3.29Å; A362-V364 PolarHBondContact O-N 2.88Å; A362-R365 WeakPolarHBondContact O-CB 3.27Å; A362-R365 PolarHBondContact O-N 3.25Å; A362-R365 VanDerWaalsContact O-N 3.15Å; A362-T366 PolarHBondContact O-N 3.17Å; A362-T366 PolarHBondContact O-OG1 3.47Å; A362-T366 VanDerWaalsContact O-OG1 3.13Å
363N98Very high98.3Very high106 Ų10647.4 Ų47.457%0.56729%0.293SS*.Hα-helixtrans-59.9-38.8178-66.3-11.1000112.5P361 T366 V367 T391P361-N363 VanDerWaalsContact C-N 3.3Å; P361-N363 PolarHBondContact O-N 3.17Å; N363-T366 PolarHBondContact O-N 2.84Å; N363-V367 WeakPolarHBondContact O-CG2 3.21Å; N363-V367 PolarHBondContact O-N 3.28Å; N363-V367 VanDerWaalsContact O-N 3.11Å; N363-T391 HydrophobicContact CB-CG2 4.47Å
364V98.6Very high98.2Very high0 Ų048.9 Ų48.90%032%0.319CS..Hα-helixtrans-67.8-43.4177.5-179.70000110P361 A362 T366 V367 L368 A387 L388P361-V364 HydrophobicContact CB-CG2 4.17Å; P361-V364 HydrophobicContact CG-CG2 4.09Å; P361-V364 PolarHBondContact O-N 3.42Å; A362-V364 VanDerWaalsContact C-N 3.29Å; A362-V364 PolarHBondContact O-N 2.88Å; V364-T366 PolarHBondContact O-N 2.83Å; V364-V367 PolarHBondContact O-N 2.92Å; V364-L368 HydrophobicContact CG1-CD1 4.1Å; V364-L368 HydrophobicContact CG1-CG 4.44Å; V364-L368 VanDerWaalsContact O-CG 3.31Å; V364-L368 WeakPolarHBondContact O-CG 3.4Å; V364-L368 PolarHBondContact O-N 2.63Å; V364-A387 HydrophobicContact CG1-CB 4.49Å; V364-A387 HydrophobicContact CG2-CB 4.31Å; V364-L388 HydrophobicContact CG2-CB 4.35Å; V364-L388 HydrophobicContact CG2-CD1 4.03Å
365R98.6Very high98.1Very high72 Ų7249.8 Ų49.827%0.27233%0.325SS..Hα-helixtrans-58.4-47.4174.9-62.6-177-147-163.60.5111.4L360 P361 A362 V367 L368 E369 Y420L360-R365 HydrophobicContact CB-CG 3.88Å; L360-R365 HydrophobicContact CD1-CG 4.48Å; L360-R365 PolarHBondContact O-NE 3.32Å; L360-R365 PolarHBondContact O-NH2 3.03Å; P361-R365 PolarHBondContact O-N 2.87Å; P361-R365 VanDerWaalsContact O-N 3.08Å; A362-R365 WeakPolarHBondContact O-CB 3.27Å; A362-R365 PolarHBondContact O-N 3.25Å; A362-R365 VanDerWaalsContact O-N 3.15Å; R365-V367 VanDerWaalsContact C-N 3.29Å; R365-V367 PolarHBondContact O-N 3.39Å; R365-L368 PolarHBondContact O-N 3.07Å; R365-L368 VanDerWaalsContact O-N 3.07Å; R365-E369 WeakPolarHBondContact O-CG 3.4Å; R365-E369 PolarHBondContact O-N 3.25Å; R365-Y420 HydrophobicContact CB-CE1 3.76Å; R365-Y420 HydrophobicContact CG-CD1 4.48Å; R365-Y420 HydrophobicContact CG-CE1 3.99Å; R365-Y420 HydrophobicContact CG-CE2 4.28Å
366T98.5Very high98Very high93 Ų9349.2 Ų49.257%0.57132%0.323SS*.Hα-helixtrans-57-42.6177.2-57.60000112.2A362 N363 V364 E369 A370A362-T366 PolarHBondContact O-N 3.17Å; A362-T366 PolarHBondContact O-OG1 3.47Å; A362-T366 VanDerWaalsContact O-OG1 3.13Å; N363-T366 PolarHBondContact O-N 2.84Å; V364-T366 PolarHBondContact O-N 2.83Å; T366-E369 PolarHBondContact O-N 3.5Å; T366-A370 PolarHBondContact O-N 2.96Å
367V98.7Very high98Very high55 Ų5545.2 Ų45.233%0.33329%0.29SS..Hα-helixtrans-64.2-43.3176.1171.50000111N363 V364 R365 A370 T383 A387N363-V367 WeakPolarHBondContact O-CG2 3.21Å; N363-V367 PolarHBondContact O-N 3.28Å; N363-V367 VanDerWaalsContact O-N 3.11Å; V364-V367 PolarHBondContact O-N 2.92Å; R365-V367 VanDerWaalsContact C-N 3.29Å; R365-V367 PolarHBondContact O-N 3.39Å; V367-A370 PolarHBondContact O-N 3.07Å; V367-T383 HydrophobicContact CG1-CG2 3.77Å; V367-A387 HydrophobicContact CB-CB 4.13Å; V367-A387 HydrophobicContact CG1-CB 4.05Å; V367-A387 HydrophobicContact CG2-CB 4.15Å
368L98.7Very high98Very high0 Ų043 Ų430%028%0.279CS..Hα-helixtrans-64.4-39.7178.3-66.5171.6000112.2L360 V364 R365 A370 L371 V380 I417 Y420 W421L360-L368 HydrophobicContact CD1-CD1 3.89Å; V364-L368 HydrophobicContact CG1-CD1 4.1Å; V364-L368 HydrophobicContact CG1-CG 4.44Å; V364-L368 VanDerWaalsContact O-CG 3.31Å; V364-L368 WeakPolarHBondContact O-CG 3.4Å; V364-L368 PolarHBondContact O-N 2.63Å; R365-L368 PolarHBondContact O-N 3.07Å; R365-L368 VanDerWaalsContact O-N 3.07Å; L368-A370 PolarHBondContact O-N 2.78Å; L368-L371 HydrophobicContact CD2-CD1 4.27Å; L368-L371 PolarHBondContact O-N 2.97Å; L368-L371 VanDerWaalsContact O-N 3.14Å; L368-V380 HydrophobicContact CD2-CG1 3.92Å; L368-I417 HydrophobicContact CD1-CG2 4.33Å; L368-I417 HydrophobicContact CD2-CG2 3.97Å; L368-Y420 HydrophobicContact CB-CD1 4.18Å; L368-Y420 HydrophobicContact CD1-CD1 4.1Å; L368-W421 HydrophobicContact CB-CB 4.29Å; L368-W421 HydrophobicContact CD2-CB 4.26Å
369E98.6Very high97.9Very high45 Ų4545.3 Ų45.321%0.2129%0.291CS..Hα-helixtrans-64.8-24.3176.2-69.7-178-160.500112.9R365 T366 L371 Y420 Y424 R430R365-E369 WeakPolarHBondContact O-CG 3.4Å; R365-E369 PolarHBondContact O-N 3.25Å; T366-E369 PolarHBondContact O-N 3.5Å; E369-L371 VanDerWaalsContact C-N 3.34Å; E369-Y420 HydrophobicContact CG-CE1 3.91Å; E369-Y420 PolarHBondContact OE1-OH 3.48Å; E369-Y424 HydrophobicContact CB-CD1 3.89Å; E369-Y424 HydrophobicContact CB-CE1 3.47Å; E369-Y424 VanDerWaalsContact CB-CE1 3.47Å; E369-Y424 HydrophobicContact CB-CE2 4.47Å; E369-Y424 HydrophobicContact CG-CD1 3.73Å; E369-Y424 HydrophobicContact CG-CD2 3.93Å; E369-Y424 HydrophobicContact CG-CE1 3.62Å; E369-Y424 HydrophobicContact CG-CE2 3.81Å; E369-Y424 HydrophobicContact CG-CG 3.87Å; E369-Y424 WeakPolarHBondContact O-CE1 3.47Å; E369-Y424 PolarHBondContact OE2-OH 3.37Å; E369-R430 IonicContact OE1-CZ 2.74Å; E369-R430 IonicContact OE1-NE 3.97Å; E369-R430 PolarHBondContact OE1-NE 3.27Å; E369-R430 IonicContact OE1-NH2 3.71Å; E369-R430 IonicContact OE2-CZ 3.17Å; E369-R430 IonicContact OE2-NE 2.64Å; E369-R430 PolarHBondContact OE2-NE 3.18Å; E369-R430 IonicContact OE2-NH2 2.82Å; E369-R430 PolarHBondContact OE2-NH2 3.02Å
370A98.3Very high98Very high80 Ų8044.7 Ų44.766%0.66129%0.285SS*.THydrogen-bonded Turntrans-81.6-11.4176.700000113.5T366 V367 L368T366-A370 PolarHBondContact O-N 2.96Å; V367-A370 PolarHBondContact O-N 3.07Å; L368-A370 PolarHBondContact O-N 2.78Å
371L98.3Very high98Very high34 Ų3444.5 Ų44.518%0.17828%0.283CS..SBendtrans-82.4128.5179.5-59.3-179000110.7L368 E369 V380 T383 W421L368-L371 HydrophobicContact CD2-CD1 4.27Å; L368-L371 PolarHBondContact O-N 2.97Å; L368-L371 VanDerWaalsContact O-N 3.14Å; E369-L371 VanDerWaalsContact C-N 3.34Å; L371-V380 HydrophobicContact CD1-CB 4.29Å; L371-V380 HydrophobicContact CD1-CG1 4.1Å; L371-V380 HydrophobicContact CD1-CG2 4.13Å; L371-T383 HydrophobicContact CD1-CG2 4.26Å; L371-T383 HydrophobicContact CD2-CG2 4.27Å; L371-W421 PolarHBondContact O-NE1 3.48Å
372P97.6Very high98Very high83 Ų8348 Ų4854%0.53929%0.292SS..  trans-67.8153-179.727.2-33.5000111.6A374 S375P372-A374 PolarHBondContact O-N 2.98Å; P372-S375 VanDerWaalsContact CD-OG 3.29Å; P372-S375 WeakPolarHBondContact CD-OG 3.34Å; P372-S375 WeakPolarHBondContact CG-OG 3.11Å; P372-S375 WeakPolarHBondContact O-CB 3.5Å; P372-S375 PolarHBondContact O-N 3.46Å; P372-S375 PolarHBondContact O-OG 2.89Å
373A97.2Very high98Very high40 Ų4046.5 Ų46.533%0.33128%0.276SS..THydrogen-bonded Turntrans-56.3-33176.600000113S375 S425 H426A373-S375 PolarHBondContact O-N 3.35Å; A373-S375 VanDerWaalsContact O-N 3.11Å; A373-S425 WeakPolarHBondContact CB-O 3.38Å; A373-H426 PolarHBondContact O-CE1 3.01Å
374A96.8Very high98.1Very high103 Ų10341.5 Ų41.585%0.85125%0.249SC*.THydrogen-bonded Turntrans-70.80.6176.200000114.6P372 H376P372-A374 PolarHBondContact O-N 2.98Å; A374-H376 PolarHBondContact O-N 3.11Å
375S97.5Very high98.1Very high22 Ų2241.5 Ų41.515%0.15425%0.249CC..SBendtrans-69.6128.2176-59.50000110.3P372 A373 P377 W421P372-S375 VanDerWaalsContact CD-OG 3.29Å; P372-S375 WeakPolarHBondContact CD-OG 3.34Å; P372-S375 WeakPolarHBondContact CG-OG 3.11Å; P372-S375 WeakPolarHBondContact O-CB 3.5Å; P372-S375 PolarHBondContact O-N 3.46Å; P372-S375 PolarHBondContact O-OG 2.89Å; A373-S375 PolarHBondContact O-N 3.35Å; A373-S375 VanDerWaalsContact O-N 3.11Å; S375-P377 WeakPolarHBondContact O-CD 3.46Å; S375-W421 VanDerWaalsContact O-CH2 3.23Å; S375-W421 WeakPolarHBondContact O-CH2 3.36Å; S375-W421 VanDerWaalsContact O-CZ2 3.28Å; S375-W421 WeakPolarHBondContact O-CZ2 3.29Å
376H95.5Very high98.1Very high47 Ų4740.5 Ų40.522%0.21825%0.253CS..  trans-58.8131.5171.3-170.7-36.8000110.2A374 M378 N379 V380 R502A374-H376 PolarHBondContact O-N 3.11Å; H376-M378 PolarHBondContact ND1-N 3.2Å; H376-M378 PolarHBondContact O-N 3.31Å; H376-N379 WeakPolarHBondContact O-CA 3.33Å; H376-N379 WeakPolarHBondContact O-CB 3.29Å; H376-N379 PolarHBondContact O-N 2.96Å; H376-V380 PolarHBondContact O-N 2.95Å; H376-R502 PolarHBondContact CD2-NH2 2.85Å; H376-R502 VanDerWaalsContact CD2-NH2 3.28Å
377P97.6Very high98.1Very high2 Ų236.6 Ų36.61%0.01323%0.231CC..Hα-helixtrans-48.9-35.8179.9-37.239.7000116.2S375 N379 V380 M381 L418 W421 E611 P615S375-P377 WeakPolarHBondContact O-CD 3.46Å; P377-N379 VanDerWaalsContact C-N 3.3Å; P377-N379 PolarHBondContact O-N 3.21Å; P377-V380 WeakPolarHBondContact O-CB 3.43Å; P377-V380 PolarHBondContact O-N 3.46Å; P377-V380 VanDerWaalsContact O-N 3.13Å; P377-M381 WeakPolarHBondContact O-CG 3.36Å; P377-M381 PolarHBondContact O-N 2.9Å; P377-L418 HydrophobicContact CB-CD1 3.85Å; P377-W421 HydrophobicContact CB-CZ3 4.41Å; P377-W421 HydrophobicContact CG-CH2 4.11Å; P377-W421 HydrophobicContact CG-CZ3 3.99Å; P377-E611 WeakPolarHBondContact CB-O 3.31Å; P377-E611 WeakPolarHBondContact CD-OE2 3.49Å; P377-E611 HydrophobicContact CG-CB 3.75Å; P377-E611 WeakPolarHBondContact CG-O 3.35Å; P377-P615 HydrophobicContact CB-CG 3.52Å
378M97.8Very high98.1Very high1 Ų134 Ų341%0.00522%0.215CC..Hα-helixtrans-64.2-32175-73.4-62.5-73.600113.6H376 R382 I498 L501 R502 T614 P615 V618H376-M378 PolarHBondContact ND1-N 3.2Å; H376-M378 PolarHBondContact O-N 3.31Å; M378-R382 WeakPolarHBondContact O-CB 3.36Å; M378-R382 PolarHBondContact O-N 2.91Å; M378-I498 HydrophobicContact CE-CG2 3.75Å; M378-I498 VanDerWaalsContact CE-O 3.28Å; M378-I498 WeakPolarHBondContact CE-O 3.39Å; M378-L501 HydrophobicContact CE-CB 4.03Å; M378-L501 HydrophobicContact CE-CD2 4.31Å; M378-L501 HydrophobicContact CE-CG 4.31Å; M378-R502 HydrophobicContact CB-CB 4.02Å; M378-R502 HydrophobicContact CB-CG 3.7Å; M378-R502 HydrophobicContact CE-CB 4.04Å; M378-R502 HydrophobicContact CG-CB 4.27Å; M378-R502 HydrophobicContact CG-CG 4.14Å; M378-T614 HydrophobicContact CE-CG2 3.71Å; M378-T614 HydrophobicContact CG-CG2 3.97Å; M378-T614 HydrophobicContact SD-CG2 3.56Å; M378-T614 VanDerWaalsContact SD-CG2 3.56Å; M378-P615 HydrophobicContact CG-CG 4.43Å; M378-P615 HydrophobicContact SD-CG 4.09Å; M378-V618 HydrophobicContact CE-CG2 3.55Å; M378-V618 HydrophobicContact SD-CG2 3.58Å; M378-V618 VanDerWaalsContact SD-CG2 3.58Å
379N98.1Very high98.1Very high49 Ų4934.5 Ų34.526%0.26222%0.221SC..Hα-helixtrans-71.5-35.5173.3-67.2-15.8000111H376 P377 R382 T383 R502H376-N379 WeakPolarHBondContact O-CA 3.33Å; H376-N379 WeakPolarHBondContact O-CB 3.29Å; H376-N379 PolarHBondContact O-N 2.96Å; P377-N379 VanDerWaalsContact C-N 3.3Å; P377-N379 PolarHBondContact O-N 3.21Å; N379-R382 PolarHBondContact O-N 3.44Å; N379-T383 WeakPolarHBondContact O-CB 3.44Å; N379-T383 PolarHBondContact O-N 3.28Å; N379-T383 PolarHBondContact O-OG1 3.26Å; N379-R502 PolarHBondContact OD1-NE 2.83Å
380V98.6Very high98.1Very high0 Ų037.4 Ų37.40%024%0.244CC..Hα-helixtrans-63.2-48174.8178.70000109.9L368 L371 H376 P377 R382 T383 G384 W421L368-V380 HydrophobicContact CD2-CG1 3.92Å; L371-V380 HydrophobicContact CD1-CB 4.29Å; L371-V380 HydrophobicContact CD1-CG1 4.1Å; L371-V380 HydrophobicContact CD1-CG2 4.13Å; H376-V380 PolarHBondContact O-N 2.95Å; P377-V380 WeakPolarHBondContact O-CB 3.43Å; P377-V380 PolarHBondContact O-N 3.46Å; P377-V380 VanDerWaalsContact O-N 3.13Å; V380-R382 PolarHBondContact O-N 2.92Å; V380-T383 PolarHBondContact O-N 2.89Å; V380-G384 PolarHBondContact O-N 3.48Å; V380-W421 HydrophobicContact CB-CD2 4.11Å; V380-W421 HydrophobicContact CB-CE3 4.18Å; V380-W421 HydrophobicContact CB-CG 4.43Å; V380-W421 HydrophobicContact CG1-CB 3.67Å; V380-W421 HydrophobicContact CG1-CD2 3.63Å; V380-W421 HydrophobicContact CG1-CE3 3.86Å; V380-W421 HydrophobicContact CG1-CG 3.53Å; V380-W421 HydrophobicContact CG2-CD2 3.49Å; V380-W421 VanDerWaalsContact CG2-CD2 3.49Å; V380-W421 VanDerWaalsContact CG2-CE2 3.42Å; V380-W421 HydrophobicContact CG2-CE3 3.79Å; V380-W421 HydrophobicContact CG2-CG 4.05Å; V380-W421 HydrophobicContact CG2-CH2 3.93Å; V380-W421 HydrophobicContact CG2-CZ2 3.66Å; V380-W421 HydrophobicContact CG2-CZ3 3.99Å
381M98.5Very high98.1Very high0 Ų035.6 Ų35.60%023%0.225CC..Hα-helixtrans-56.4-49.7175.1-66.2-64.5-99.100111.3P377 T383 G384 V385 L414 I417 L418 I498 P615 V618 I619P377-M381 WeakPolarHBondContact O-CG 3.36Å; P377-M381 PolarHBondContact O-N 2.9Å; M381-T383 PolarHBondContact O-N 3.45Å; M381-G384 PolarHBondContact O-N 3.26Å; M381-V385 VanDerWaalsContact O-CG2 3.32Å; M381-V385 WeakPolarHBondContact O-CG2 3.5Å; M381-V385 PolarHBondContact O-N 3.1Å; M381-L414 HydrophobicContact CE-CB 3.95Å; M381-L414 HydrophobicContact CE-CD2 3.65Å; M381-L414 HydrophobicContact CE-CG 4.3Å; M381-L414 HydrophobicContact SD-CD2 4.19Å; M381-I417 HydrophobicContact SD-CG2 4.38Å; M381-L418 HydrophobicContact SD-CB 3.8Å; M381-L418 HydrophobicContact SD-CD1 4.46Å; M381-I498 HydrophobicContact CB-CD1 4.47Å; M381-I498 HydrophobicContact CB-CG2 4.29Å; M381-P615 HydrophobicContact CE-CB 4.28Å; M381-P615 HydrophobicContact CG-CB 4.2Å; M381-P615 HydrophobicContact CG-CG 4.48Å; M381-V618 HydrophobicContact CE-CB 4.08Å; M381-V618 HydrophobicContact CE-CG1 3.79Å; M381-I619 HydrophobicContact CE-CD1 4.4Å; M381-I619 HydrophobicContact CE-CG1 4.01Å
382R98.6Very high98Very high106 Ų10637.6 Ų37.640%0.424%0.236SC..Hα-helixtrans-57.5-46.9178.2-170.9-172.466-172.6-1.5112.1M378 N379 V380 S386 I495 I498M378-R382 WeakPolarHBondContact O-CB 3.36Å; M378-R382 PolarHBondContact O-N 2.91Å; N379-R382 PolarHBondContact O-N 3.44Å; V380-R382 PolarHBondContact O-N 2.92Å; R382-S386 WeakPolarHBondContact O-CB 3.37Å; R382-S386 PolarHBondContact O-N 3.43Å; R382-S386 VanDerWaalsContact O-N 3.07Å; R382-I495 HydrophobicContact CG-CG2 3.74Å; R382-I498 HydrophobicContact CB-CG2 3.92Å
383T98.8Very high98Very high39 Ų3938.2 Ų38.224%0.23924%0.24CC..Hα-helixtrans-70.9-39.8-178.8-58.20000111.8V367 L371 N379 V380 M381 S386 A387V367-T383 HydrophobicContact CG1-CG2 3.77Å; L371-T383 HydrophobicContact CD1-CG2 4.26Å; L371-T383 HydrophobicContact CD2-CG2 4.27Å; N379-T383 WeakPolarHBondContact O-CB 3.44Å; N379-T383 PolarHBondContact O-N 3.28Å; N379-T383 PolarHBondContact O-OG1 3.26Å; V380-T383 PolarHBondContact O-N 2.89Å; M381-T383 PolarHBondContact O-N 3.45Å; T383-S386 WeakPolarHBondContact O-CB 3.36Å; T383-S386 PolarHBondContact O-N 2.99Å; T383-A387 WeakPolarHBondContact O-CB 3.34Å; T383-A387 PolarHBondContact O-N 2.92Å
384G98.7Very high98Very high0 Ų037.5 Ų37.50%023%0.23CC..Hα-helixtrans-62.3-43.8176.600000112.2V380 M381 S386 A387 L388V380-G384 PolarHBondContact O-N 3.48Å; M381-G384 PolarHBondContact O-N 3.26Å; G384-S386 VanDerWaalsContact C-N 3.35Å; G384-A387 PolarHBondContact O-N 3.27Å; G384-L388 WeakPolarHBondContact O-CB 3.31Å; G384-L388 PolarHBondContact O-N 3.33Å
385V98.8Very high98Very high0 Ų041.3 Ų41.30%023%0.227CC..Hα-helixtrans-63.7-40.9173.6175.40000111.2M381 L388 G389 L410 L414 Y491 I494 I495 I498M381-V385 VanDerWaalsContact O-CG2 3.32Å; M381-V385 WeakPolarHBondContact O-CG2 3.5Å; M381-V385 PolarHBondContact O-N 3.1Å; V385-L388 PolarHBondContact O-N 3.45Å; V385-G389 PolarHBondContact O-N 2.89Å; V385-L410 HydrophobicContact CB-CD2 4.46Å; V385-L410 HydrophobicContact CG1-CD2 3.92Å; V385-L410 HydrophobicContact CG2-CD2 3.96Å; V385-L414 HydrophobicContact CG2-CD2 3.69Å; V385-Y491 HydrophobicContact CG1-CD1 4.09Å; V385-I494 HydrophobicContact CG1-CB 4.48Å; V385-I494 HydrophobicContact CG1-CG2 4.11Å; V385-I495 HydrophobicContact CB-CG1 4.2Å; V385-I495 HydrophobicContact CG1-CD1 4.36Å; V385-I495 HydrophobicContact CG1-CG1 3.79Å; V385-I498 HydrophobicContact CB-CD1 4.41Å; V385-I498 HydrophobicContact CG2-CD1 3.87Å
386S98.8Very high97.6Very high51 Ų5149.1 Ų49.136%0.35726%0.261SS..Hα-helixtrans-61.5-46.5174.8-167.70000112.3R382 T383 G384 L388 G389 C390R382-S386 WeakPolarHBondContact O-CB 3.37Å; R382-S386 PolarHBondContact O-N 3.43Å; R382-S386 VanDerWaalsContact O-N 3.07Å; T383-S386 WeakPolarHBondContact O-CB 3.36Å; T383-S386 PolarHBondContact O-N 2.99Å; G384-S386 VanDerWaalsContact C-N 3.35Å; S386-L388 VanDerWaalsContact C-N 3.29Å; S386-L388 PolarHBondContact O-N 3.46Å; S386-G389 PolarHBondContact O-N 2.98Å; S386-C390 PolarHBondContact O-N 3.46Å; S386-C390 PolarHBondContact O-SG 3.24Å
387A98.7Very high97.4Very high11 Ų1149.9 Ų49.99%0.09128%0.281CS..Hα-helixtrans-63.6-37.4177.600000111.7V364 V367 T383 G384 C390 T391V364-A387 HydrophobicContact CG1-CB 4.49Å; V364-A387 HydrophobicContact CG2-CB 4.31Å; V367-A387 HydrophobicContact CB-CB 4.13Å; V367-A387 HydrophobicContact CG1-CB 4.05Å; V367-A387 HydrophobicContact CG2-CB 4.15Å; T383-A387 WeakPolarHBondContact O-CB 3.34Å; T383-A387 PolarHBondContact O-N 2.92Å; G384-A387 PolarHBondContact O-N 3.27Å; A387-C390 PolarHBondContact O-N 3.41Å; A387-T391 WeakPolarHBondContact O-CB 3.24Å; A387-T391 PolarHBondContact O-N 2.77Å; A387-T391 PolarHBondContact O-OG1 2.98Å
388L98.5Very high97.3Very high0 Ų052.3 Ų52.30%029%0.292CS..Hα-helixtrans-65.1-44.1175.3-168.466.6000111.2P361 V364 G384 V385 S386 C390 T391 L392 K409 L410 Y491P361-L388 HydrophobicContact CG-CD1 4.09Å; V364-L388 HydrophobicContact CG2-CB 4.35Å; V364-L388 HydrophobicContact CG2-CD1 4.03Å; G384-L388 WeakPolarHBondContact O-CB 3.31Å; G384-L388 PolarHBondContact O-N 3.33Å; V385-L388 PolarHBondContact O-N 3.45Å; S386-L388 VanDerWaalsContact C-N 3.29Å; S386-L388 PolarHBondContact O-N 3.46Å; L388-C390 VanDerWaalsContact C-N 3.34Å; L388-C390 PolarHBondContact O-N 2.99Å; L388-T391 PolarHBondContact O-N 2.96Å; L388-T391 VanDerWaalsContact O-N 3.1Å; L388-L392 HydrophobicContact CD1-CD1 3.88Å; L388-L392 PolarHBondContact O-N 3.02Å; L388-K409 HydrophobicContact CD2-CG 4.16Å; L388-L410 HydrophobicContact CD2-CD2 3.89Å; L388-Y491 HydrophobicContact CB-CE1 4.43Å; L388-Y491 HydrophobicContact CD2-CE1 4.18Å; L388-Y491 HydrophobicContact CG-CE1 4.16Å
389G98.3Very high97.2Very high12 Ų1256 Ų5612%0.12432%0.315CS..Hα-helixtrans-62.9-36.1175.100000113.4V385 S386 T391 L392 P393V385-G389 PolarHBondContact O-N 2.89Å; S386-G389 PolarHBondContact O-N 2.98Å; G389-T391 VanDerWaalsContact C-N 3.33Å; G389-L392 CarbonylContact O-C 3.59Å; G389-P393 WeakPolarHBondContact O-CA 3.45Å
390C98.3Very high97.1Very high105 Ų10556.2 Ų56.271%0.70932%0.318SS*.Hα-helixtrans-68.4-32.5171.9-64.80000112.8S386 A387 L388S386-C390 PolarHBondContact O-N 3.46Å; S386-C390 PolarHBondContact O-SG 3.24Å; A387-C390 PolarHBondContact O-N 3.41Å; L388-C390 VanDerWaalsContact C-N 3.34Å; L388-C390 PolarHBondContact O-N 2.99Å
391T98.3Very high97.1Very high42 Ų4259.8 Ų59.826%0.25834%0.343SS..Hα-helixtrans-83.9-35-177.6-54.90000112.3P361 N363 A387 L388 G389P361-T391 HydrophobicContact CB-CG2 3.79Å; P361-T391 HydrophobicContact CG-CG2 4.07Å; N363-T391 HydrophobicContact CB-CG2 4.47Å; A387-T391 WeakPolarHBondContact O-CB 3.24Å; A387-T391 PolarHBondContact O-N 2.77Å; A387-T391 PolarHBondContact O-OG1 2.98Å; L388-T391 PolarHBondContact O-N 2.96Å; L388-T391 VanDerWaalsContact O-N 3.1Å; G389-T391 VanDerWaalsContact C-N 3.33Å
392L97.4Very high97Very high77 Ų7760.8 Ų60.840%0.40335%0.353SS..SBendtrans-131.567.2-176.1-60.3177.1000109.8P361 L388 G389 Y491P361-L392 HydrophobicContact CG-CD1 4.35Å; L388-L392 HydrophobicContact CD1-CD1 3.88Å; L388-L392 PolarHBondContact O-N 3.02Å; G389-L392 CarbonylContact O-C 3.59Å; L392-Y491 WeakPolarHBondContact O-CE2 3.46Å; L392-Y491 PolarHBondContact O-OH 3.26Å
393P97.5Very high97Very high96 Ų9655.8 Ų55.862%0.62334%0.335SS*.PPolyproline II helixtrans-62.7145.9-172.725.9-35000112.5G389G389-P393 WeakPolarHBondContact O-CA 3.45Å
394E98Very high97Very high25 Ų2557.6 Ų57.612%0.11734%0.337CS..PPolyproline II helixtrans-65.9139.7170.3-171.1170.8-154.900110H398 I406 D489 M490 R633E394-H398 IonicContact OE1-CD2 3.35Å; E394-H398 IonicContact OE2-CD2 2.88Å; E394-H398 IonicContact OE2-NE2 2.81Å; E394-I406 HydrophobicContact CB-CD1 3.49Å; E394-I406 VanDerWaalsContact CB-CD1 3.49Å; E394-I406 HydrophobicContact CG-CD1 3.38Å; E394-D489 HydrophobicContact CB-CB 4.16Å; E394-D489 VanDerWaalsContact OE2-CA 3.26Å; E394-D489 WeakPolarHBondContact OE2-CA 3.1Å; E394-D489 WeakPolarHBondContact OE2-CB 3.43Å; E394-M490 WeakPolarHBondContact OE2-CB 3.38Å; E394-M490 PolarHBondContact OE2-N 2.94Å; E394-R633 IonicContact OE1-CZ 3.85Å; E394-R633 IonicContact OE1-NH1 2.93Å; E394-R633 PolarHBondContact OE1-NH1 3.49Å; E394-R633 IonicContact OE1-NH2 3.97Å; E394-R633 IonicContact OE2-CZ 2.78Å; E394-R633 IonicContact OE2-NH1 3.36Å; E394-R633 PolarHBondContact OE2-NH1 2.96Å; E394-R633 IonicContact OE2-NH2 3.89Å; E394-R633 PolarHBondContact OE2-NH2 3.43Å
395K95.4Very high97Very high183 Ų18361.5 Ų61.580%0.79636%0.358SS*.PPolyproline II helixtrans-70.5138.7175.3-63.6-179.7-179.6177.50110G397 H398K395-G397 PolarHBondContact O-N 3.43Å; K395-H398 PolarHBondContact O-CD2 2.97Å; K395-H398 VanDerWaalsContact O-CD2 3.24Å; K395-H398 PolarHBondContact O-N 2.81Å
396E90.3Very high97Very high186 Ų18662.3 Ų62.387%0.86936%0.362SS*.THydrogen-bonded Turntrans-52.3-26.7-176.7-65-173.8164.900115H398E396-H398 PolarHBondContact O-N 3.21Å
397G91.4Very high97Very high62 Ų6259.9 Ų59.964%0.63935%0.345SS*.THydrogen-bonded Turntrans-68.1-11.717800000115.1K395 T399K395-G397 PolarHBondContact O-N 3.43Å; G397-T399 PolarHBondContact O-N 3.36Å
398H94.1Very high97Very high53 Ų5359.3 Ų59.325%0.24534%0.341CS..  trans44.541177.7-62.4163000113.7E394 K395 E396 G487E394-H398 IonicContact OE1-CD2 3.35Å; E394-H398 IonicContact OE2-CD2 2.88Å; E394-H398 IonicContact OE2-NE2 2.81Å; K395-H398 PolarHBondContact O-CD2 2.97Å; K395-H398 VanDerWaalsContact O-CD2 3.24Å; K395-H398 PolarHBondContact O-N 2.81Å; E396-H398 PolarHBondContact O-N 3.21Å; H398-G487 PolarHBondContact CE1-O 2.82Å
399T96.2Very high97Very high80 Ų8060.5 Ų60.549%0.49135%0.346SS..  trans-62.8148.2-175.768.10000110.3G397 S401 G402 A403G397-T399 PolarHBondContact O-N 3.36Å; T399-S401 PolarHBondContact O-N 3.16Å; T399-S401 PolarHBondContact OG1-OG 2.75Å; T399-G402 PolarHBondContact O-N 3.37Å; T399-G402 VanDerWaalsContact O-N 3.09Å; T399-G402 PolarHBondContact OG1-N 3.32Å; T399-G402 VanDerWaalsContact OG1-N 3.12Å; T399-A403 WeakPolarHBondContact O-CB 3.47Å; T399-A403 PolarHBondContact O-N 3.43Å
400V96.9Very high97Very high53 Ų5359.9 Ų59.932%0.32134%0.34SS..Hα-helixtrans-57.1-37.4178.1177.90000111.4R404 I630V400-R404 VanDerWaalsContact O-CG 3.25Å; V400-R404 WeakPolarHBondContact O-CG 3.47Å; V400-R404 PolarHBondContact O-N 3.5Å; V400-R404 VanDerWaalsContact O-N 3.08Å; V400-I630 HydrophobicContact CG1-CG2 4.08Å; V400-I630 HydrophobicContact CG2-CG2 4.49Å
401S97.1Very high97Very high74 Ų7454.9 Ų54.952%0.51731%0.306SS..Hα-helixtrans-67.5-43.2176.679.80000112.2T399 A403 R404 D405T399-S401 PolarHBondContact O-N 3.16Å; T399-S401 PolarHBondContact OG1-OG 2.75Å; S401-A403 VanDerWaalsContact C-N 3.35Å; S401-A403 PolarHBondContact O-N 3.05Å; S401-R404 WeakPolarHBondContact O-CB 3.41Å; S401-R404 PolarHBondContact O-N 3.31Å; S401-D405 PolarHBondContact O-N 3.2Å
402G97.7Very high97Very high21 Ų2152.9 Ų52.922%0.21629%0.294CS..Hα-helixtrans-63.2-41.9177.800000112.1T399 R404 D405 I406T399-G402 PolarHBondContact O-N 3.37Å; T399-G402 VanDerWaalsContact O-N 3.09Å; T399-G402 PolarHBondContact OG1-N 3.32Å; T399-G402 VanDerWaalsContact OG1-N 3.12Å; G402-R404 VanDerWaalsContact C-N 3.32Å; G402-R404 PolarHBondContact O-N 3.06Å; G402-D405 PolarHBondContact O-N 3.28Å; G402-I406 WeakPolarHBondContact O-CG1 3.37Å; G402-I406 PolarHBondContact O-N 3.47Å
403A98.1Very high97.1Very high1 Ų149.2 Ų49.21%0.00827%0.274CS..Hα-helixtrans-60.4-40.7174.400000112.1T399 S401 I406 A407 M490 I630T399-A403 WeakPolarHBondContact O-CB 3.47Å; T399-A403 PolarHBondContact O-N 3.43Å; S401-A403 VanDerWaalsContact C-N 3.35Å; S401-A403 PolarHBondContact O-N 3.05Å; A403-I406 PolarHBondContact O-N 2.86Å; A403-A407 WeakPolarHBondContact O-CB 3.25Å; A403-A407 PolarHBondContact O-N 3.4Å; A403-M490 HydrophobicContact CB-CE 3.68Å; A403-I630 HydrophobicContact CB-CD1 4.16Å; A403-I630 HydrophobicContact CB-CG1 3.8Å
404R98.4Very high97.1Very high77 Ų7744.7 Ų44.729%0.29125%0.245SC..Hα-helixtrans-66.3-41.9174.9-72.9170.4171.3165.9-1112.5I337 H338 V400 S401 G402 I406 A407 D408 I630I337-R404 HydrophobicContact CG2-CB 4.07Å; I337-R404 HydrophobicContact CG2-CG 3.83Å; I337-R404 PolarHBondContact O-NE 2.83Å; H338-R404 PolarHBondContact O-NH2 3.15Å; V400-R404 VanDerWaalsContact O-CG 3.25Å; V400-R404 WeakPolarHBondContact O-CG 3.47Å; V400-R404 PolarHBondContact O-N 3.5Å; V400-R404 VanDerWaalsContact O-N 3.08Å; S401-R404 WeakPolarHBondContact O-CB 3.41Å; S401-R404 PolarHBondContact O-N 3.31Å; G402-R404 VanDerWaalsContact C-N 3.32Å; G402-R404 PolarHBondContact O-N 3.06Å; R404-I406 VanDerWaalsContact C-N 3.3Å; R404-I406 PolarHBondContact O-N 3.25Å; R404-A407 WeakPolarHBondContact O-CB 3.42Å; R404-A407 PolarHBondContact O-N 3.37Å; R404-D408 PolarHBondContact O-N 3.07Å; R404-I630 HydrophobicContact CG-CD1 3.93Å
405D98.4Very high97.2Very high82 Ų8243.5 Ų43.544%0.43924%0.239SC..Hα-helixtrans-63.6-37.7177.3-71.3-31.2000111.9K353 S401 G402 K409K353-D405 IonicContact NZ-OD1 3.43Å; K353-D405 PolarHBondContact NZ-OD1 2.91Å; S401-D405 PolarHBondContact O-N 3.2Å; G402-D405 PolarHBondContact O-N 3.28Å; D405-K409 WeakPolarHBondContact O-CB 3.19Å; D405-K409 PolarHBondContact O-N 3.05Å
406I98.6Very high97.3Very high17 Ų1734.8 Ų34.89%0.08720%0.201CC..Hα-helixtrans-67.2-43.2173.2-66.4165.3000110.9E394 G402 A403 R404 D408 K409 L410 M490 Y491E394-I406 HydrophobicContact CB-CD1 3.49Å; E394-I406 VanDerWaalsContact CB-CD1 3.49Å; E394-I406 HydrophobicContact CG-CD1 3.38Å; G402-I406 WeakPolarHBondContact O-CG1 3.37Å; G402-I406 PolarHBondContact O-N 3.47Å; A403-I406 PolarHBondContact O-N 2.86Å; R404-I406 VanDerWaalsContact C-N 3.3Å; R404-I406 PolarHBondContact O-N 3.25Å; I406-D408 VanDerWaalsContact C-N 3.34Å; I406-D408 PolarHBondContact O-N 3.42Å; I406-K409 PolarHBondContact O-N 3.2Å; I406-L410 HydrophobicContact CG2-CD1 3.91Å; I406-L410 HydrophobicContact CG2-CG 4.33Å; I406-L410 WeakPolarHBondContact O-CG 3.19Å; I406-L410 PolarHBondContact O-N 2.88Å; I406-M490 HydrophobicContact CB-CG 4.29Å; I406-M490 HydrophobicContact CD1-CB 4.44Å; I406-M490 HydrophobicContact CG2-CB 4.06Å; I406-M490 HydrophobicContact CG2-CG 3.65Å; I406-Y491 HydrophobicContact CD1-CE2 4.04Å; I406-Y491 HydrophobicContact CG1-CE2 4.27Å; I406-Y491 HydrophobicContact CG2-CD1 4.31Å; I406-Y491 HydrophobicContact CG2-CD2 4.41Å; I406-Y491 HydrophobicContact CG2-CE1 3.78Å; I406-Y491 HydrophobicContact CG2-CE2 3.92Å
407A98.7Very high97.7Very high0 Ų025.9 Ų25.90%016%0.16CC..Hα-helixtrans-58.4-46.4176.200000111.7I337 A403 R404 K409 L410 L411 A626I337-A407 HydrophobicContact CD1-CB 4Å; I337-A407 HydrophobicContact CG1-CB 4.3Å; I337-A407 HydrophobicContact CG2-CB 4.01Å; A403-A407 WeakPolarHBondContact O-CB 3.25Å; A403-A407 PolarHBondContact O-N 3.4Å; R404-A407 WeakPolarHBondContact O-CB 3.42Å; R404-A407 PolarHBondContact O-N 3.37Å; A407-K409 PolarHBondContact O-N 3.44Å; A407-L410 PolarHBondContact O-N 3.05Å; A407-L411 VanDerWaalsContact O-CB 3.31Å; A407-L411 WeakPolarHBondContact O-CB 3.47Å; A407-L411 PolarHBondContact O-N 3.43Å; A407-A626 HydrophobicContact CB-CB 3.46Å; A407-A626 VanDerWaalsContact CB-CB 3.46Å
408D98.8Very high98.1Very high0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-63.2-40.8177-66.8-20.9000111.5H338 Y350 K353 L354 L357 R404 I406 A412H338-D408 IonicContact CE1-OD1 3.56Å; H338-D408 IonicContact CE1-OD2 2.65Å; H338-D408 PolarHBondContact CE1-OD2 2.64Å; H338-D408 IonicContact NE2-OD1 3.54Å; H338-D408 PolarHBondContact NE2-OD1 3.02Å; H338-D408 VanDerWaalsContact NE2-OD1 3.07Å; H338-D408 IonicContact NE2-OD2 3.25Å; H338-D408 PolarHBondContact NE2-OD2 2.93Å; Y350-D408 VanDerWaalsContact CE2-OD1 3.24Å; Y350-D408 WeakPolarHBondContact CE2-OD1 3.39Å; Y350-D408 PolarHBondContact OH-OD1 3.38Å; K353-D408 WeakPolarHBondContact CE-OD2 3.43Å; K353-D408 IonicContact NZ-OD2 3.44Å; K353-D408 PolarHBondContact NZ-OD2 3.39Å; L354-D408 HydrophobicContact CD2-CB 3.99Å; L354-D408 WeakPolarHBondContact CD2-O 3.47Å; L357-D408 HydrophobicContact CD1-CB 4.07Å; R404-D408 PolarHBondContact O-N 3.07Å; I406-D408 VanDerWaalsContact C-N 3.34Å; I406-D408 PolarHBondContact O-N 3.42Å; D408-A412 VanDerWaalsContact O-CB 3.3Å; D408-A412 WeakPolarHBondContact O-CB 3.5Å; D408-A412 PolarHBondContact O-N 3.21Å
409K98.7Very high98.3Very high24 Ų2420.4 Ų20.410%0.10412%0.118CC..Hα-helixtrans-63.4-45.2175.917460.2-172.8177.60111.9L357 G359 L388 D405 I406 A407 A412 S413L357-K409 HydrophobicContact CB-CD 4.13Å; L357-K409 HydrophobicContact CD2-CD 4.14Å; L357-K409 WeakPolarHBondContact O-CD 3.38Å; L357-K409 PolarHBondContact O-NZ 3.41Å; G359-K409 PolarHBondContact O-NZ 2.82Å; L388-K409 HydrophobicContact CD2-CG 4.16Å; D405-K409 WeakPolarHBondContact O-CB 3.19Å; D405-K409 PolarHBondContact O-N 3.05Å; I406-K409 PolarHBondContact O-N 3.2Å; A407-K409 PolarHBondContact O-N 3.44Å; K409-A412 PolarHBondContact O-N 2.74Å; K409-S413 WeakPolarHBondContact O-CB 3.37Å; K409-S413 PolarHBondContact O-N 2.92Å; K409-S413 PolarHBondContact O-OG 2.72Å
410L98.8Very high98.4Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-63.4-50.6177.4-71.8170.4000110.4V385 L388 I406 A407 A412 S413 L414 Y491 I494 V622V385-L410 HydrophobicContact CB-CD2 4.46Å; V385-L410 HydrophobicContact CG1-CD2 3.92Å; V385-L410 HydrophobicContact CG2-CD2 3.96Å; L388-L410 HydrophobicContact CD2-CD2 3.89Å; I406-L410 HydrophobicContact CG2-CD1 3.91Å; I406-L410 HydrophobicContact CG2-CG 4.33Å; I406-L410 WeakPolarHBondContact O-CG 3.19Å; I406-L410 PolarHBondContact O-N 2.88Å; A407-L410 PolarHBondContact O-N 3.05Å; L410-A412 VanDerWaalsContact C-N 3.26Å; L410-A412 PolarHBondContact O-N 3.26Å; L410-S413 PolarHBondContact O-N 3.28Å; L410-L414 HydrophobicContact CB-CD1 4.45Å; L410-L414 WeakPolarHBondContact O-CB 3.28Å; L410-L414 WeakPolarHBondContact O-CD1 3.35Å; L410-L414 WeakPolarHBondContact O-CG 3.33Å; L410-L414 PolarHBondContact O-N 3.08Å; L410-Y491 HydrophobicContact CD1-CD1 4.31Å; L410-Y491 HydrophobicContact CD1-CE1 4.41Å; L410-Y491 HydrophobicContact CD2-CD1 4.15Å; L410-Y491 HydrophobicContact CD2-CE1 4.04Å; L410-Y491 HydrophobicContact CG-CE1 4.3Å; L410-I494 HydrophobicContact CD1-CB 4.48Å; L410-I494 HydrophobicContact CD1-CG1 4.04Å; L410-I494 HydrophobicContact CD1-CG2 4.39Å; L410-V622 HydrophobicContact CB-CG2 4.05Å; L410-V622 HydrophobicContact CD1-CG2 4.45Å
411L98.6Very high98.5Very high0 Ų014.4 Ų14.40%08%0.08CC..Hα-helixtrans-51.4-46.1176.5-176.764.1000112.2F329 A333 I337 L354 A407 I440 V622 T623F329-L411 HydrophobicContact CE1-CD1 3.62Å; F329-L411 HydrophobicContact CZ-CD1 3.82Å; A333-L411 HydrophobicContact CB-CD2 3.62Å; I337-L411 HydrophobicContact CD1-CD2 4.37Å; L354-L411 HydrophobicContact CD1-CD2 4.15Å; L354-L411 HydrophobicContact CD2-CD2 4.14Å; A407-L411 VanDerWaalsContact O-CB 3.31Å; A407-L411 WeakPolarHBondContact O-CB 3.47Å; A407-L411 PolarHBondContact O-N 3.43Å; L411-I440 HydrophobicContact CG-CD1 4.38Å; L411-I440 HydrophobicContact CG-CG1 4.38Å; L411-V622 HydrophobicContact CB-CG1 4.2Å; L411-V622 HydrophobicContact CD1-CG1 3.78Å; L411-T623 HydrophobicContact CD1-CG2 3.73Å; L411-T623 HydrophobicContact CD2-CG2 4.13Å
412A98.6Very high98.6Very high0 Ų013.5 Ų13.50%07%0.066CC..Hα-helixtrans-69.9-37.6-178.700000114.2L354 L357 R358 D408 K409 L410L354-A412 HydrophobicContact CB-CB 4.44Å; L354-A412 HydrophobicContact CD2-CB 4.25Å; L354-A412 WeakPolarHBondContact O-CB 3.36Å; L357-A412 HydrophobicContact CB-CB 3.59Å; R358-A412 HydrophobicContact CG-CB 4.46Å; R358-A412 WeakPolarHBondContact CG-O 3.22Å; D408-A412 VanDerWaalsContact O-CB 3.3Å; D408-A412 WeakPolarHBondContact O-CB 3.5Å; D408-A412 PolarHBondContact O-N 3.21Å; K409-A412 PolarHBondContact O-N 2.74Å; L410-A412 VanDerWaalsContact C-N 3.26Å; L410-A412 PolarHBondContact O-N 3.26Å
413S98.5Very high98.6Very high0 Ų013.2 Ų13.20%06%0.059CC..Hα-helixtrans-104.5-5.4-168.966.80000115.6K409 L410 S415 S416 I417K409-S413 WeakPolarHBondContact O-CB 3.37Å; K409-S413 PolarHBondContact O-N 2.92Å; K409-S413 PolarHBondContact O-OG 2.72Å; L410-S413 PolarHBondContact O-N 3.28Å; S413-S415 PolarHBondContact O-N 3.3Å; S413-S416 CarbonylContact O-C 3.58Å; S413-S416 WeakPolarHBondContact O-CB 3.49Å; S413-S416 PolarHBondContact O-N 3.41Å; S413-I417 WeakPolarHBondContact O-CG1 3.5Å; S413-I417 PolarHBondContact O-N 3.43Å
414L98.8Very high98.6Very high0 Ų016.2 Ų16.20%07%0.071CC..Hα-helixtrans-62.7-40.5-179.3-85.1166.5000112.7M381 V385 L410 S416 I417 L418 V618 I619 V622M381-L414 HydrophobicContact CE-CB 3.95Å; M381-L414 HydrophobicContact CE-CD2 3.65Å; M381-L414 HydrophobicContact CE-CG 4.3Å; M381-L414 HydrophobicContact SD-CD2 4.19Å; V385-L414 HydrophobicContact CG2-CD2 3.69Å; L410-L414 HydrophobicContact CB-CD1 4.45Å; L410-L414 WeakPolarHBondContact O-CB 3.28Å; L410-L414 WeakPolarHBondContact O-CD1 3.35Å; L410-L414 WeakPolarHBondContact O-CG 3.33Å; L410-L414 PolarHBondContact O-N 3.08Å; L414-S416 VanDerWaalsContact C-N 3.35Å; L414-I417 PolarHBondContact O-N 3.48Å; L414-L418 PolarHBondContact O-N 2.88Å; L414-L418 VanDerWaalsContact O-N 3.14Å; L414-V618 HydrophobicContact CD1-CG1 4.18Å; L414-V618 HydrophobicContact CD2-CG1 4.26Å; L414-I619 HydrophobicContact CB-CG1 3.82Å; L414-V622 HydrophobicContact CD1-CB 3.94Å; L414-V622 HydrophobicContact CD1-CG1 3.94Å; L414-V622 HydrophobicContact CD1-CG2 4.02Å
415S98.6Very high98.5Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-61.3-45.1172.2-55.70000111.2S413 I417 L418 L419 I619S413-S415 PolarHBondContact O-N 3.3Å; S415-I417 PolarHBondContact O-N 3Å; S415-L418 PolarHBondContact O-N 2.77Å; S415-L419 WeakPolarHBondContact O-CB 3.42Å; S415-L419 WeakPolarHBondContact O-CG 3.45Å; S415-L419 PolarHBondContact O-N 3.36Å; S415-I619 WeakPolarHBondContact OG-CD1 3.03Å
416S98.7Very high98.4Very high0 Ų014.1 Ų14.10%07%0.065CC..Hα-helixtrans-60-43.5176.5-48.60000112.3R358 S413 L414 L418 Y420 P433 H443R358-S416 WeakPolarHBondContact O-CB 3.37Å; R358-S416 PolarHBondContact O-OG 3.08Å; R358-S416 VanDerWaalsContact O-OG 3.09Å; S413-S416 CarbonylContact O-C 3.58Å; S413-S416 WeakPolarHBondContact O-CB 3.49Å; S413-S416 PolarHBondContact O-N 3.41Å; L414-S416 VanDerWaalsContact C-N 3.35Å; S416-L418 PolarHBondContact O-N 2.9Å; S416-Y420 WeakPolarHBondContact O-CB 3.2Å; S416-Y420 PolarHBondContact O-N 2.9Å; S416-P433 PolarHBondContact OG-O 3.3Å; S416-H443 PolarHBondContact OG-NE2 3.14Å; S416-H443 VanDerWaalsContact OG-NE2 3.14Å
417I98.8Very high98.3Very high0 Ų017.7 Ų17.70%08%0.084CC..Hα-helixtrans-57-50.8176.3-75.6170.3000110.4L360 L368 M381 S413 L414 S415 W421L360-I417 HydrophobicContact CD2-CG1 3.68Å; L368-I417 HydrophobicContact CD1-CG2 4.33Å; L368-I417 HydrophobicContact CD2-CG2 3.97Å; M381-I417 HydrophobicContact SD-CG2 4.38Å; S413-I417 WeakPolarHBondContact O-CG1 3.5Å; S413-I417 PolarHBondContact O-N 3.43Å; L414-I417 PolarHBondContact O-N 3.48Å; S415-I417 PolarHBondContact O-N 3Å; I417-W421 PolarHBondContact O-N 2.76Å
418L98.7Very high98.1Very high0 Ų020.7 Ų20.70%012%0.115CC..Hα-helixtrans-65.7-50.9-176.5179.263.9000111.5P377 M381 L414 S415 S416 W421 Y422 F444 M612 P615P377-L418 HydrophobicContact CB-CD1 3.85Å; M381-L418 HydrophobicContact SD-CB 3.8Å; M381-L418 HydrophobicContact SD-CD1 4.46Å; L414-L418 PolarHBondContact O-N 2.88Å; L414-L418 VanDerWaalsContact O-N 3.14Å; S415-L418 PolarHBondContact O-N 2.77Å; S416-L418 PolarHBondContact O-N 2.9Å; L418-W421 HydrophobicContact CD1-CE3 4.1Å; L418-W421 HydrophobicContact CD1-CZ3 4.18Å; L418-W421 PolarHBondContact O-N 3.21Å; L418-Y422 PolarHBondContact O-N 3.38Å; L418-F444 HydrophobicContact CD2-CE2 4.02Å; L418-M612 HydrophobicContact CD2-CB 4.41Å; L418-M612 HydrophobicContact CD2-CG 4.11Å; L418-M612 HydrophobicContact CD2-SD 4.06Å; L418-P615 HydrophobicContact CD1-CB 4.47Å; L418-P615 HydrophobicContact CD2-CB 3.62Å; L418-P615 HydrophobicContact CD2-CG 4.34Å
419L98.6Very high98Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-81.3-27.6-168.5-61.3178.5000112S415 W421 Y422 H423 I431 F444 L447 L448 M612S415-L419 WeakPolarHBondContact O-CB 3.42Å; S415-L419 WeakPolarHBondContact O-CG 3.45Å; S415-L419 PolarHBondContact O-N 3.36Å; L419-W421 PolarHBondContact O-N 2.68Å; L419-Y422 PolarHBondContact O-N 2.94Å; L419-H423 PolarHBondContact O-CD2 3.33Å; L419-H423 PolarHBondContact O-N 3.48Å; L419-I431 HydrophobicContact CB-CD1 4.43Å; L419-F444 HydrophobicContact CD1-CD2 3.99Å; L419-F444 HydrophobicContact CD1-CE2 4.17Å; L419-F444 HydrophobicContact CD1-CG 4.4Å; L419-F444 WeakPolarHBondContact CD1-O 3.2Å; L419-L447 HydrophobicContact CB-CB 3.97Å; L419-L447 HydrophobicContact CB-CD1 4.33Å; L419-L447 HydrophobicContact CD1-CB 3.38Å; L419-L447 HydrophobicContact CD1-CD1 4.35Å; L419-L447 HydrophobicContact CG-CB 4.32Å; L419-L448 HydrophobicContact CD1-CB 3.93Å; L419-L448 HydrophobicContact CD2-CB 4.31Å; L419-L448 HydrophobicContact CD2-CD1 3.97Å; L419-M612 HydrophobicContact CD2-CE 3.86Å; L419-M612 HydrophobicContact CD2-SD 3.79Å
420Y98.7Very high98Very high6 Ų632 Ų322%0.02416%0.161CC..Hα-helixtrans-59-47.9166.7-173.9-90.7000111.4L360 R365 L368 E369 S416 Y424 I431L360-Y420 HydrophobicContact CD1-CG 4.15Å; R365-Y420 HydrophobicContact CB-CE1 3.76Å; R365-Y420 HydrophobicContact CG-CD1 4.48Å; R365-Y420 HydrophobicContact CG-CE1 3.99Å; R365-Y420 HydrophobicContact CG-CE2 4.28Å; L368-Y420 HydrophobicContact CB-CD1 4.18Å; L368-Y420 HydrophobicContact CD1-CD1 4.1Å; E369-Y420 HydrophobicContact CG-CE1 3.91Å; E369-Y420 PolarHBondContact OE1-OH 3.48Å; S416-Y420 WeakPolarHBondContact O-CB 3.2Å; S416-Y420 PolarHBondContact O-N 2.9Å; Y420-Y424 VanDerWaalsContact O-CB 3.29Å; Y420-Y424 WeakPolarHBondContact O-CB 3.41Å; Y420-Y424 PolarHBondContact O-N 3.27Å; Y420-Y424 VanDerWaalsContact O-N 3.11Å; Y420-I431 HydrophobicContact CD2-CG1 4.2Å
421W98.7Very high97.9Very high1 Ų133.2 Ų33.20%0.00417%0.168CC..Hα-helixtrans-62.5-44.5175.3162.176.6000111.8L368 L371 S375 P377 V380 I417 L418 L419 Y424 S425 H426L368-W421 HydrophobicContact CB-CB 4.29Å; L368-W421 HydrophobicContact CD2-CB 4.26Å; L371-W421 PolarHBondContact O-NE1 3.48Å; S375-W421 VanDerWaalsContact O-CH2 3.23Å; S375-W421 WeakPolarHBondContact O-CH2 3.36Å; S375-W421 VanDerWaalsContact O-CZ2 3.28Å; S375-W421 WeakPolarHBondContact O-CZ2 3.29Å; P377-W421 HydrophobicContact CB-CZ3 4.41Å; P377-W421 HydrophobicContact CG-CH2 4.11Å; P377-W421 HydrophobicContact CG-CZ3 3.99Å; V380-W421 HydrophobicContact CB-CD2 4.11Å; V380-W421 HydrophobicContact CB-CE3 4.18Å; V380-W421 HydrophobicContact CB-CG 4.43Å; V380-W421 HydrophobicContact CG1-CB 3.67Å; V380-W421 HydrophobicContact CG1-CD2 3.63Å; V380-W421 HydrophobicContact CG1-CE3 3.86Å; V380-W421 HydrophobicContact CG1-CG 3.53Å; V380-W421 HydrophobicContact CG2-CD2 3.49Å; V380-W421 VanDerWaalsContact CG2-CD2 3.49Å; V380-W421 VanDerWaalsContact CG2-CE2 3.42Å; V380-W421 HydrophobicContact CG2-CE3 3.79Å; V380-W421 HydrophobicContact CG2-CG 4.05Å; V380-W421 HydrophobicContact CG2-CH2 3.93Å; V380-W421 HydrophobicContact CG2-CZ2 3.66Å; V380-W421 HydrophobicContact CG2-CZ3 3.99Å; I417-W421 PolarHBondContact O-N 2.76Å; L418-W421 HydrophobicContact CD1-CE3 4.1Å; L418-W421 HydrophobicContact CD1-CZ3 4.18Å; L418-W421 PolarHBondContact O-N 3.21Å; L419-W421 PolarHBondContact O-N 2.68Å; W421-Y424 PolarHBondContact O-N 3.47Å; W421-S425 PolarHBondContact NE1-OG 3.14Å; W421-S425 VanDerWaalsContact O-CB 3.26Å; W421-S425 WeakPolarHBondContact O-CB 3.27Å; W421-S425 PolarHBondContact O-N 2.99Å; W421-S425 PolarHBondContact O-OG 3.33Å; W421-H426 AromaticContact CH2-CE1 3.82Å; W421-H426 AromaticContact CZ2-CE1 3.95Å
422Y98.4Very high97.8Very high54 Ų5439.1 Ų39.121%0.21220%0.195CC..Hα-helixtrans-59.3-54.2-177.1177.3-111.1000111.4L418 L419 Y424 S425 H426 L448 M612L418-Y422 PolarHBondContact O-N 3.38Å; L419-Y422 PolarHBondContact O-N 2.94Å; Y422-Y424 VanDerWaalsContact C-N 3.35Å; Y422-Y424 PolarHBondContact O-N 2.87Å; Y422-S425 PolarHBondContact O-N 3.11Å; Y422-S425 PolarHBondContact O-OG 3.09Å; Y422-H426 AromaticContact CD2-CE1 3.9Å; Y422-H426 AromaticContact CD2-CG 3.89Å; Y422-H426 AromaticContact CD2-ND1 3.67Å; Y422-H426 HydrophobicContact CE2-CB 4.39Å; Y422-H426 AromaticContact CE2-CD2 3.88Å; Y422-H426 AromaticContact CE2-CG 3.86Å; Y422-H426 VanDerWaalsContact O-CB 3.27Å; Y422-H426 WeakPolarHBondContact O-CB 3.36Å; Y422-H426 PolarHBondContact O-N 2.98Å; Y422-H426 PolarHBondContact O-ND1 3.46Å; Y422-L448 HydrophobicContact CD1-CD1 4.47Å; Y422-L448 HydrophobicContact CE1-CD1 4.2Å; Y422-M612 HydrophobicContact CD1-CE 3.77Å; Y422-M612 HydrophobicContact CD2-CE 3.27Å; Y422-M612 HydrophobicContact CE1-CE 4.15Å; Y422-M612 HydrophobicContact CE2-CE 3.69Å; Y422-M612 HydrophobicContact CG-CE 3.3Å
423H98.2Very high97.7Very high16 Ų1639.1 Ų39.17%0.07420%0.195CC..Hα-helixtrans-64.5-38.5180-75.6-98.4000112.3L419 N427 G428 E429 I431 L447L419-H423 PolarHBondContact O-CD2 3.33Å; L419-H423 PolarHBondContact O-N 3.48Å; H423-N427 PolarHBondContact ND1-ND2 3Å; H423-N427 CarbonylContact O-C 3.59Å; H423-N427 WeakPolarHBondContact O-CA 3.39Å; H423-N427 VanDerWaalsContact O-CB 3.25Å; H423-N427 WeakPolarHBondContact O-CB 3.3Å; H423-N427 PolarHBondContact O-N 3.21Å; H423-G428 PolarHBondContact O-N 3.45Å; H423-E429 CarbonylContact C-O 3.52Å; H423-E429 PolarHBondContact O-N 2.9Å; H423-E429 VanDerWaalsContact O-N 3.17Å; H423-I431 HydrophobicContact CB-CD1 4.2Å; H423-I431 HydrophobicContact CB-CG1 4.38Å; H423-I431 HydrophobicContact CB-CG2 3.63Å; H423-L447 PolarHBondContact NE2-O 3.41Å
424Y98.2Very high97.7Very high64 Ų6442.4 Ų42.425%0.25121%0.211SC..Hα-helixtrans-66.8-49178.1-175.1-95.4000112.1E369 Y420 W421 Y422 G428 E429 R430E369-Y424 HydrophobicContact CB-CD1 3.89Å; E369-Y424 HydrophobicContact CB-CE1 3.47Å; E369-Y424 VanDerWaalsContact CB-CE1 3.47Å; E369-Y424 HydrophobicContact CB-CE2 4.47Å; E369-Y424 HydrophobicContact CG-CD1 3.73Å; E369-Y424 HydrophobicContact CG-CD2 3.93Å; E369-Y424 HydrophobicContact CG-CE1 3.62Å; E369-Y424 HydrophobicContact CG-CE2 3.81Å; E369-Y424 HydrophobicContact CG-CG 3.87Å; E369-Y424 WeakPolarHBondContact O-CE1 3.47Å; E369-Y424 PolarHBondContact OE2-OH 3.37Å; Y420-Y424 VanDerWaalsContact O-CB 3.29Å; Y420-Y424 WeakPolarHBondContact O-CB 3.41Å; Y420-Y424 PolarHBondContact O-N 3.27Å; Y420-Y424 VanDerWaalsContact O-N 3.11Å; W421-Y424 PolarHBondContact O-N 3.47Å; Y422-Y424 VanDerWaalsContact C-N 3.35Å; Y422-Y424 PolarHBondContact O-N 2.87Å; Y424-G428 VanDerWaalsContact O-CA 3.22Å; Y424-G428 WeakPolarHBondContact O-CA 3.31Å; Y424-G428 PolarHBondContact O-N 3.23Å; Y424-E429 WeakPolarHBondContact CA-O 3.2Å; Y424-E429 PolarHBondContact N-O 2.74Å; Y424-E429 VanDerWaalsContact N-O 3.14Å; Y424-R430 HydrophobicContact CD2-CG 3.68Å; Y424-R430 HydrophobicContact CE2-CG 3.89Å
425S97.3Very high97.6Very high29 Ų2943.5 Ų43.520%0.20322%0.217CC..Hα-helixtrans-77.3-31.6-173.162.40000113.7A373 W421 Y422A373-S425 WeakPolarHBondContact CB-O 3.38Å; W421-S425 PolarHBondContact NE1-OG 3.14Å; W421-S425 VanDerWaalsContact O-CB 3.26Å; W421-S425 WeakPolarHBondContact O-CB 3.27Å; W421-S425 PolarHBondContact O-N 2.99Å; W421-S425 PolarHBondContact O-OG 3.33Å; Y422-S425 PolarHBondContact O-N 3.11Å; Y422-S425 PolarHBondContact O-OG 3.09Å
426H96.2Very high97.5Very high86 Ų8649 Ų4940%0.39825%0.247SC..Hα-helixtrans-96.8-32.9-177.7-65.563.8000112.7A373 W421 Y422A373-H426 PolarHBondContact O-CE1 3.01Å; W421-H426 AromaticContact CH2-CE1 3.82Å; W421-H426 AromaticContact CZ2-CE1 3.95Å; Y422-H426 AromaticContact CD2-CE1 3.9Å; Y422-H426 AromaticContact CD2-CG 3.89Å; Y422-H426 AromaticContact CD2-ND1 3.67Å; Y422-H426 HydrophobicContact CE2-CB 4.39Å; Y422-H426 AromaticContact CE2-CD2 3.88Å; Y422-H426 AromaticContact CE2-CG 3.86Å; Y422-H426 VanDerWaalsContact O-CB 3.27Å; Y422-H426 WeakPolarHBondContact O-CB 3.36Å; Y422-H426 PolarHBondContact O-N 2.98Å; Y422-H426 PolarHBondContact O-ND1 3.46Å
427N95.8Very high97.5Very high91 Ų9149 Ų4949%0.48725%0.247SC..Hα-helixtrans-116-6.2-172-48.6-20.4000112.8H423 E429H423-N427 PolarHBondContact ND1-ND2 3Å; H423-N427 CarbonylContact O-C 3.59Å; H423-N427 WeakPolarHBondContact O-CA 3.39Å; H423-N427 VanDerWaalsContact O-CB 3.25Å; H423-N427 WeakPolarHBondContact O-CB 3.3Å; H423-N427 PolarHBondContact O-N 3.21Å; N427-E429 HydrophobicContact CB-CB 4.44Å; N427-E429 PolarHBondContact O-N 3.18Å
428G95.6Very high97.3Very high64 Ų6452.3 Ų52.366%0.6627%0.265SS*.  trans70.517.1-176.600000113.7H423 Y424H423-G428 PolarHBondContact O-N 3.45Å; Y424-G428 VanDerWaalsContact O-CA 3.22Å; Y424-G428 WeakPolarHBondContact O-CA 3.31Å; Y424-G428 PolarHBondContact O-N 3.23Å
429E96.4Very high97.3Very high105 Ų10552.4 Ų52.449%0.49127%0.265SS..  trans-110.1129.5-169.9-171.3179.9-172.800112.1H423 Y424 N427 I431H423-E429 CarbonylContact C-O 3.52Å; H423-E429 PolarHBondContact O-N 2.9Å; H423-E429 VanDerWaalsContact O-N 3.17Å; Y424-E429 WeakPolarHBondContact CA-O 3.2Å; Y424-E429 PolarHBondContact N-O 2.74Å; Y424-E429 VanDerWaalsContact N-O 3.14Å; N427-E429 HydrophobicContact CB-CB 4.44Å; N427-E429 PolarHBondContact O-N 3.18Å; E429-I431 HydrophobicContact CG-CG2 4.06Å
430R97.7Very high97.3Very high156 Ų15652.4 Ų52.459%0.58927%0.265SS*.  trans-88105.1167-68.5-173.8178.496.84.2109.1E369 Y424E369-R430 IonicContact OE1-CZ 2.74Å; E369-R430 IonicContact OE1-NE 3.97Å; E369-R430 PolarHBondContact OE1-NE 3.27Å; E369-R430 IonicContact OE1-NH2 3.71Å; E369-R430 IonicContact OE2-CZ 3.17Å; E369-R430 IonicContact OE2-NE 2.64Å; E369-R430 PolarHBondContact OE2-NE 3.18Å; E369-R430 IonicContact OE2-NH2 2.82Å; E369-R430 PolarHBondContact OE2-NH2 3.02Å; Y424-R430 HydrophobicContact CD2-CG 3.68Å; Y424-R430 HydrophobicContact CE2-CG 3.89Å
431I97.3Very high97.3Very high25 Ų2552.1 Ų52.113%0.12826%0.264CS..  trans-86.4159.1177.565.6172.2000112.1L419 Y420 H423 E429 P433 L447L419-I431 HydrophobicContact CB-CD1 4.43Å; Y420-I431 HydrophobicContact CD2-CG1 4.2Å; H423-I431 HydrophobicContact CB-CD1 4.2Å; H423-I431 HydrophobicContact CB-CG1 4.38Å; H423-I431 HydrophobicContact CB-CG2 3.63Å; E429-I431 HydrophobicContact CG-CG2 4.06Å; I431-P433 WeakPolarHBondContact O-CD 3.49Å; I431-L447 HydrophobicContact CD1-CD2 4.16Å
432Q96.6Very high97.3Very high124 Ų12452.1 Ų52.158%0.57926%0.264SS*.  trans-74.2120.4166.8-173.870.421.700109E434 L447Q432-E434 PolarHBondContact NE2-OE2 2.86Å; Q432-E434 PolarHBondContact O-N 2.89Å; Q432-L447 VanDerWaalsContact O-CD2 3.29Å; Q432-L447 WeakPolarHBondContact O-CD2 3.42Å
433P96.4Very high97.3Very high0 Ų049.5 Ų49.50%025%0.254CS..SBendtrans-75.4-6.7-176.824.1-27.5000114.6L360 S416 I431 H443L360-P433 HydrophobicContact CB-CG 4.45Å; L360-P433 HydrophobicContact CD1-CB 4.26Å; L360-P433 HydrophobicContact CG-CB 4.03Å; L360-P433 HydrophobicContact CG-CG 4.27Å; S416-P433 PolarHBondContact OG-O 3.3Å; I431-P433 WeakPolarHBondContact O-CD 3.49Å; P433-H443 PolarHBondContact O-CE1 2.82Å; P433-H443 PolarHBondContact O-NE2 3.31Å
434E97.8Very high97.3Very high69 Ų6948.8 Ų48.832%0.32225%0.25SS..  trans-106.8132178.8-57.192.4151.900111.3R358 G359 Q432R358-E434 HydrophobicContact CB-CB 4.46Å; R358-E434 HydrophobicContact CB-CG 4.01Å; G359-E434 VanDerWaalsContact CA-CD 3.49Å; G359-E434 WeakPolarHBondContact CA-OE1 3.48Å; Q432-E434 PolarHBondContact NE2-OE2 2.86Å; Q432-E434 PolarHBondContact O-N 2.89Å
435T97.8Very high97.3Very high23 Ų2345.8 Ų45.814%0.14124%0.239CC..  trans-119.5167.1167730000110R358 D437 H443 H446 L447R358-T435 PolarHBondContact NH1-O 2.99Å; T435-D437 WeakPolarHBondContact CB-OD2 3.49Å; T435-D437 PolarHBondContact OG1-OD2 3.04Å; T435-H443 PolarHBondContact OG1-ND1 3.43Å; T435-H446 HydrophobicContact CG2-CB 4.13Å; T435-L447 HydrophobicContact CG2-CD2 3.72Å; T435-L447 HydrophobicContact CG2-CG 3.99Å
436D96.2Very high97.4Very high115 Ų11546.3 Ų46.362%0.61524%0.238SC*.  trans-88.91.4177.670-27.4000113.7
437D97.9Very high97.5Very high1 Ų142.7 Ų42.71%0.00522%0.221CC..  trans-57.5141.6-178.8-60.1-70.3000111.9R358 T435 S439 H443 H446 K452R358-D437 VanDerWaalsContact CZ-O 3.27Å; R358-D437 PolarHBondContact NH1-O 3.4Å; R358-D437 PolarHBondContact NH2-O 2.99Å; T435-D437 WeakPolarHBondContact CB-OD2 3.49Å; T435-D437 PolarHBondContact OG1-OD2 3.04Å; D437-S439 VanDerWaalsContact C-N 3.34Å; D437-S439 PolarHBondContact O-N 2.59Å; D437-H443 HydrophobicContact CB-CB 4.41Å; D437-H446 IonicContact OD1-ND1 3.98Å; D437-H446 WeakPolarHBondContact OD2-CB 3.44Å; D437-H446 IonicContact OD2-CE1 2.83Å; D437-H446 IonicContact OD2-CG 3.93Å; D437-H446 IonicContact OD2-ND1 2.77Å; D437-H446 PolarHBondContact OD2-ND1 2.96Å; D437-K452 WeakPolarHBondContact OD1-CE 3.5Å
438D95.7Very high97.6Very high70 Ų7039 Ų3937%0.37420%0.202SC..SBendtrans-74.1-29.4-172.9-161.248.2000112.6K351 K355K351-D438 WeakPolarHBondContact CD-OD2 3.23Å; K351-D438 WeakPolarHBondContact CE-OD2 3.22Å; K351-D438 IonicContact NZ-OD2 3.73Å; K351-D438 PolarHBondContact NZ-OD2 2.69Å; K355-D438 IonicContact NZ-OD1 3.91Å; K355-D438 PolarHBondContact NZ-OD1 3.27Å
439S98.1Very high97.7Very high1 Ų139.2 Ų39.21%0.00719%0.185CC..SBendtrans-109.8159.1-178.372.80000114.3E330 R358 D437 G441 G442 H443 E458 H462E330-S439 WeakPolarHBondContact OE1-CA 3.33Å; R358-S439 PolarHBondContact NH2-O 3.31Å; R358-S439 VanDerWaalsContact NH2-O 3.15Å; D437-S439 VanDerWaalsContact C-N 3.34Å; D437-S439 PolarHBondContact O-N 2.59Å; S439-G441 VanDerWaalsContact C-N 3.31Å; S439-G442 WeakPolarHBondContact OG-CA 3.46Å; S439-G442 PolarHBondContact OG-N 3.14Å; S439-H443 VanDerWaalsContact O-CB 3.25Å; S439-H443 WeakPolarHBondContact O-CB 3.25Å; S439-H443 PolarHBondContact O-N 3.37Å; S439-E458 WeakPolarHBondContact CB-OE1 3.26Å; S439-E458 WeakPolarHBondContact OG-CG 3.49Å; S439-E458 PolarHBondContact OG-OE1 2.8Å; S439-H462 WeakPolarHBondContact CB-CE1 3.23Å
440I98.6Very high97.7Very high1 Ų137 Ų371%0.00519%0.191CC..Hα-helixtrans-62.1-39.6169.6-65.4-62.2000110.7F329 E330 L411 F444 L465 I619F329-I440 HydrophobicContact CD1-CB 4.09Å; F329-I440 HydrophobicContact CD1-CG1 4.37Å; F329-I440 HydrophobicContact CD1-CG2 4.38Å; F329-I440 HydrophobicContact CE1-CB 4.28Å; F329-I440 HydrophobicContact CE1-CG1 4.41Å; F329-I440 HydrophobicContact CE1-CG2 4.15Å; E330-I440 WeakPolarHBondContact OE1-CG1 3.34Å; E330-I440 PolarHBondContact OE1-N 3.48Å; L411-I440 HydrophobicContact CG-CD1 4.38Å; L411-I440 HydrophobicContact CG-CG1 4.38Å; I440-F444 PolarHBondContact O-N 3.41Å; I440-L465 HydrophobicContact CG2-CD1 4.26Å; I440-I619 HydrophobicContact CG2-CG2 3.58Å
441G98.3Very high97.7Very high0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-66.2-46.817800000112.4S439 F444 L445S439-G441 VanDerWaalsContact C-N 3.31Å; G441-F444 PolarHBondContact O-N 3.45Å; G441-L445 PolarHBondContact O-N 3.39Å; G441-L445 VanDerWaalsContact O-N 3.13Å
442G98.4Very high97.7Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-61.4-45.417500000111.8S439 F444 L445 H446S439-G442 WeakPolarHBondContact OG-CA 3.46Å; S439-G442 PolarHBondContact OG-N 3.14Å; G442-F444 PolarHBondContact O-N 3.21Å; G442-L445 PolarHBondContact O-N 2.82Å; G442-H446 WeakPolarHBondContact O-CB 3.5Å; G442-H446 PolarHBondContact O-N 3.45Å
443H98.7Very high97.7Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-57.7-43.9175.6176.753.6000113.2S416 P433 T435 D437 S439 L447S416-H443 PolarHBondContact OG-NE2 3.14Å; S416-H443 VanDerWaalsContact OG-NE2 3.14Å; P433-H443 PolarHBondContact O-CE1 2.82Å; P433-H443 PolarHBondContact O-NE2 3.31Å; T435-H443 PolarHBondContact OG1-ND1 3.43Å; D437-H443 HydrophobicContact CB-CB 4.41Å; S439-H443 VanDerWaalsContact O-CB 3.25Å; S439-H443 WeakPolarHBondContact O-CB 3.25Å; S439-H443 PolarHBondContact O-N 3.37Å; H443-L447 WeakPolarHBondContact CE1-CD1 3.46Å; H443-L447 WeakPolarHBondContact NE2-CD1 3.49Å; H443-L447 WeakPolarHBondContact O-CG 3.43Å; H443-L447 PolarHBondContact O-N 3.42Å
444F98.7Very high97.7Very high1 Ų138.4 Ų38.40%0.00421%0.209CC..Hα-helixtrans-59.8-51.8175.8174.5-87.5000111.6L418 L419 I440 G441 G442 H446 L447 L448 M461 V608 M612 L616 I619L418-F444 HydrophobicContact CD2-CE2 4.02Å; L419-F444 HydrophobicContact CD1-CD2 3.99Å; L419-F444 HydrophobicContact CD1-CE2 4.17Å; L419-F444 HydrophobicContact CD1-CG 4.4Å; L419-F444 WeakPolarHBondContact CD1-O 3.2Å; I440-F444 PolarHBondContact O-N 3.41Å; G441-F444 PolarHBondContact O-N 3.45Å; G442-F444 PolarHBondContact O-N 3.21Å; F444-H446 VanDerWaalsContact C-N 3.33Å; F444-H446 PolarHBondContact O-N 3.01Å; F444-L447 PolarHBondContact O-N 3.02Å; F444-L448 HydrophobicContact CE1-CD2 3.94Å; F444-L448 HydrophobicContact CZ-CD2 4.4Å; F444-L448 WeakPolarHBondContact O-CB 3.41Å; F444-L448 PolarHBondContact O-N 3.01Å; F444-M461 HydrophobicContact CD1-CE 4.3Å; F444-V608 HydrophobicContact CE1-CG1 4.29Å; F444-V608 HydrophobicContact CE1-CG2 4.14Å; F444-V608 HydrophobicContact CZ-CG1 4.26Å; F444-M612 HydrophobicContact CZ-SD 4.44Å; F444-L616 HydrophobicContact CD1-CD2 3.75Å; F444-L616 HydrophobicContact CD2-CD2 3.64Å; F444-L616 HydrophobicContact CE1-CD1 3.93Å; F444-L616 HydrophobicContact CE1-CD2 3.67Å; F444-L616 HydrophobicContact CE1-CG 4.02Å; F444-L616 HydrophobicContact CE2-CD2 3.53Å; F444-L616 HydrophobicContact CE2-CG 3.99Å; F444-L616 HydrophobicContact CG-CD2 3.75Å; F444-L616 HydrophobicContact CZ-CD1 4.02Å; F444-L616 HydrophobicContact CZ-CD2 3.57Å; F444-L616 HydrophobicContact CZ-CG 3.7Å; F444-I619 HydrophobicContact CD2-CD1 3.75Å; F444-I619 HydrophobicContact CE2-CD1 4.09Å
445L98.6Very high97.7Very high0 Ų043.3 Ų43.30%023%0.232CC..Hα-helixtrans-65.5-38.5-177.6-68.5174.8000111.7G441 G442 L448 H449 P453 W457 M461 M606 V608G441-L445 PolarHBondContact O-N 3.39Å; G441-L445 VanDerWaalsContact O-N 3.13Å; G442-L445 PolarHBondContact O-N 2.82Å; L445-L448 PolarHBondContact O-N 3.26Å; L445-H449 PolarHBondContact O-CD2 3.5Å; L445-H449 PolarHBondContact O-N 3.26Å; L445-P453 HydrophobicContact CB-CB 3.74Å; L445-P453 HydrophobicContact CB-CG 3.94Å; L445-P453 HydrophobicContact CD1-CB 3.8Å; L445-P453 HydrophobicContact CD1-CG 4.34Å; L445-P453 HydrophobicContact CG-CB 4.46Å; L445-W457 HydrophobicContact CD1-CB 3.75Å; L445-W457 HydrophobicContact CD1-CE3 4.33Å; L445-M461 HydrophobicContact CD1-CG 3.58Å; L445-M461 HydrophobicContact CD2-CG 4.49Å; L445-M461 HydrophobicContact CG-CG 4Å; L445-M606 HydrophobicContact CD1-SD 4.45Å; L445-M606 HydrophobicContact CD2-CB 4.45Å; L445-V608 HydrophobicContact CD2-CG2 4.24Å
446H98.5Very high97.7Very high40 Ų4043.6 Ų43.619%0.18524%0.235CC..Hα-helixtrans-62.5-49.4177.3-169.4165.5000111.4T435 D437 G442 F444 L448 H449 G450 E451T435-H446 HydrophobicContact CG2-CB 4.13Å; D437-H446 IonicContact OD1-ND1 3.98Å; D437-H446 WeakPolarHBondContact OD2-CB 3.44Å; D437-H446 IonicContact OD2-CE1 2.83Å; D437-H446 IonicContact OD2-CG 3.93Å; D437-H446 IonicContact OD2-ND1 2.77Å; D437-H446 PolarHBondContact OD2-ND1 2.96Å; G442-H446 WeakPolarHBondContact O-CB 3.5Å; G442-H446 PolarHBondContact O-N 3.45Å; F444-H446 VanDerWaalsContact C-N 3.33Å; F444-H446 PolarHBondContact O-N 3.01Å; H446-L448 PolarHBondContact O-N 3.28Å; H446-H449 PolarHBondContact O-N 3.42Å; H446-G450 WeakPolarHBondContact O-CA 3.25Å; H446-G450 PolarHBondContact O-N 3.04Å; H446-E451 VanDerWaalsContact CA-O 3.31Å; H446-E451 WeakPolarHBondContact CA-O 3.42Å
447L98.4Very high97.7Very high10 Ų1041.3 Ų41.35%0.05222%0.217CC..Hα-helixtrans-59.9-36.9176-74.6-176.7000112.2L419 H423 I431 Q432 T435 H443 F444L419-L447 HydrophobicContact CB-CB 3.97Å; L419-L447 HydrophobicContact CB-CD1 4.33Å; L419-L447 HydrophobicContact CD1-CB 3.38Å; L419-L447 HydrophobicContact CD1-CD1 4.35Å; L419-L447 HydrophobicContact CG-CB 4.32Å; H423-L447 PolarHBondContact NE2-O 3.41Å; I431-L447 HydrophobicContact CD1-CD2 4.16Å; Q432-L447 VanDerWaalsContact O-CD2 3.29Å; Q432-L447 WeakPolarHBondContact O-CD2 3.42Å; T435-L447 HydrophobicContact CG2-CD2 3.72Å; T435-L447 HydrophobicContact CG2-CG 3.99Å; H443-L447 WeakPolarHBondContact CE1-CD1 3.46Å; H443-L447 WeakPolarHBondContact NE2-CD1 3.49Å; H443-L447 WeakPolarHBondContact O-CG 3.43Å; H443-L447 PolarHBondContact O-N 3.42Å; F444-L447 PolarHBondContact O-N 3.02Å
448L98.1Very high97.7Very high15 Ų1542.9 Ų42.98%0.07923%0.225CC..Hα-helixtrans-71.1-43-176.417563.8000112L419 Y422 F444 L445 H446 V608 P609 M612L419-L448 HydrophobicContact CD1-CB 3.93Å; L419-L448 HydrophobicContact CD2-CB 4.31Å; L419-L448 HydrophobicContact CD2-CD1 3.97Å; Y422-L448 HydrophobicContact CD1-CD1 4.47Å; Y422-L448 HydrophobicContact CE1-CD1 4.2Å; F444-L448 HydrophobicContact CE1-CD2 3.94Å; F444-L448 HydrophobicContact CZ-CD2 4.4Å; F444-L448 WeakPolarHBondContact O-CB 3.41Å; F444-L448 PolarHBondContact O-N 3.01Å; L445-L448 PolarHBondContact O-N 3.26Å; H446-L448 PolarHBondContact O-N 3.28Å; L448-V608 HydrophobicContact CD2-CB 4.41Å; L448-V608 HydrophobicContact CD2-CG2 4.12Å; L448-P609 HydrophobicContact CD1-CG 4.27Å; L448-M612 HydrophobicContact CD1-CE 4.37Å; L448-M612 HydrophobicContact CD1-SD 4.01Å
449H97.3Very high97.9Very high67 Ų6745.9 Ų45.931%0.3123%0.234SC..Hα-helixtrans-95.2-14.4-174.6-58.8-55.7000113.2L445 H446 E451 W457 M606L445-H449 PolarHBondContact O-CD2 3.5Å; L445-H449 PolarHBondContact O-N 3.26Å; H446-H449 PolarHBondContact O-N 3.42Å; H449-E451 HydrophobicContact CB-CG 4.35Å; H449-E451 PolarHBondContact O-N 2.9Å; H449-W457 AromaticContact CD2-CZ3 3.98Å; H449-W457 AromaticContact NE2-CZ3 3.58Å; H449-M606 PolarHBondContact CE1-O 3.46Å; H449-M606 PolarHBondContact NE2-O 3.39Å; H449-M606 VanDerWaalsContact NE2-O 3.14Å
450G96.5Very high97.9Very high59 Ų5946.1 Ų46.161%0.60824%0.236SC*.SBendtrans76.25.3-174.700000114.1H446H446-G450 WeakPolarHBondContact O-CA 3.25Å; H446-G450 PolarHBondContact O-N 3.04Å
451E96.8Very high97.8Very high138 Ų13846 Ų4665%0.64524%0.236SC*.SBendtrans-143.7157.4178.466.4178.4178.200111.9H446 H449H446-E451 VanDerWaalsContact CA-O 3.31Å; H446-E451 WeakPolarHBondContact CA-O 3.42Å; H449-E451 HydrophobicContact CB-CG 4.35Å; H449-E451 PolarHBondContact O-N 2.9Å
452K97.5Very high97.9Very high127 Ų12747 Ų4755%0.55224%0.241SC*.PPolyproline II helixtrans-62.4129.1-177.6-169.5166.3-168.5159.50111.2D437D437-K452 WeakPolarHBondContact OD1-CE 3.5Å
453P97.5Very high97.9Very high18 Ų1848.2 Ų48.212%0.11725%0.247CC..PPolyproline II helixtrans-68.7160.4-178.328.8-36.3000112.3L445 W457L445-P453 HydrophobicContact CB-CB 3.74Å; L445-P453 HydrophobicContact CB-CG 3.94Å; L445-P453 HydrophobicContact CD1-CB 3.8Å; L445-P453 HydrophobicContact CD1-CG 4.34Å; L445-P453 HydrophobicContact CG-CB 4.46Å; P453-W457 HydrophobicContact CB-CB 4.47Å
454S97.1Very high97.8Very high52 Ų5248.3 Ų48.336%0.36425%0.247SC..PPolyproline II helixtrans-65.6154169.9770000111.1S456 W457 E458S454-S456 PolarHBondContact O-N 2.92Å; S454-S456 PolarHBondContact OG-OG 2.99Å; S454-W457 PolarHBondContact O-N 2.75Å; S454-W457 WeakPolarHBondContact OG-CB 3.07Å; S454-W457 VanDerWaalsContact OG-CD1 3.23Å; S454-W457 VanDerWaalsContact OG-CG 3.28Å; S454-W457 PolarHBondContact OG-N 3.41Å; S454-E458 PolarHBondContact O-N 3.21Å
455Q96.8Very high97.8Very high171 Ų17148.2 Ų48.280%0.79925%0.247SC*.Hα-helixtrans-58.8-34175-102.2-175.51.100112.9K459Q455-K459 WeakPolarHBondContact O-CB 3.32Å; Q455-K459 PolarHBondContact O-N 3.42Å
456S97.2Very high97.8Very high29 Ų2948.2 Ų48.220%0.20325%0.247CC..Hα-helixtrans-69.2-38.1179.462.80000111.6S454 A460 E568S454-S456 PolarHBondContact O-N 2.92Å; S454-S456 PolarHBondContact OG-OG 2.99Å; S456-A460 WeakPolarHBondContact O-CB 3.44Å; S456-A460 PolarHBondContact O-N 3.28Å; S456-E568 WeakPolarHBondContact CB-OE2 3.35Å; S456-E568 PolarHBondContact OG-OE2 3.44Å
457W97.8Very high97.8Very high67 Ų6746.3 Ų46.325%0.25424%0.238SC..Hα-helixtrans-69.9-42.7176.1-70.819.8000111.8L445 H449 P453 S454 K459 A460 M461 M605 M606L445-W457 HydrophobicContact CD1-CB 3.75Å; L445-W457 HydrophobicContact CD1-CE3 4.33Å; H449-W457 AromaticContact CD2-CZ3 3.98Å; H449-W457 AromaticContact NE2-CZ3 3.58Å; P453-W457 HydrophobicContact CB-CB 4.47Å; S454-W457 PolarHBondContact O-N 2.75Å; S454-W457 WeakPolarHBondContact OG-CB 3.07Å; S454-W457 VanDerWaalsContact OG-CD1 3.23Å; S454-W457 VanDerWaalsContact OG-CG 3.28Å; S454-W457 PolarHBondContact OG-N 3.41Å; W457-K459 VanDerWaalsContact C-N 3.32Å; W457-K459 PolarHBondContact O-N 3.27Å; W457-A460 PolarHBondContact O-N 3.34Å; W457-M461 WeakPolarHBondContact O-CG 3.49Å; W457-M461 PolarHBondContact O-N 2.67Å; W457-M605 WeakPolarHBondContact CZ2-O 3.35Å; W457-M606 HydrophobicContact CB-CG 4.31Å; W457-M606 HydrophobicContact CB-SD 4.07Å; W457-M606 HydrophobicContact CD2-CB 4.06Å; W457-M606 HydrophobicContact CD2-CG 3.81Å; W457-M606 HydrophobicContact CE3-CB 3.96Å; W457-M606 HydrophobicContact CE3-CG 4.19Å; W457-M606 HydrophobicContact CG-CG 3.86Å; W457-M606 HydrophobicContact CG-SD 4.26Å; W457-M606 WeakPolarHBondContact CH2-O 3.31Å; W457-M606 HydrophobicContact CZ3-CB 4.2Å; W457-M606 WeakPolarHBondContact CZ3-O 3.38Å
458E98Very high97.8Very high35 Ų3545.9 Ų45.916%0.16424%0.236CC..Hα-helixtrans-60.4-43.1175.1-174.3170.3-158.800111.5S439 S454 M461 H462S439-E458 WeakPolarHBondContact CB-OE1 3.26Å; S439-E458 WeakPolarHBondContact OG-CG 3.49Å; S439-E458 PolarHBondContact OG-OE1 2.8Å; S454-E458 PolarHBondContact O-N 3.21Å; E458-M461 WeakPolarHBondContact O-CB 3.34Å; E458-M461 PolarHBondContact O-N 3.34Å; E458-H462 PolarHBondContact O-N 2.89Å
459K98Very high97.8Very high132 Ų13245.2 Ų45.257%0.57423%0.232SC*.Hα-helixtrans-63.3-42.7174.8-174.4174.1-177.7176.10112.5Q455 W457 M461 H462 I463Q455-K459 WeakPolarHBondContact O-CB 3.32Å; Q455-K459 PolarHBondContact O-N 3.42Å; W457-K459 VanDerWaalsContact C-N 3.32Å; W457-K459 PolarHBondContact O-N 3.27Å; K459-M461 VanDerWaalsContact C-N 3.27Å; K459-M461 PolarHBondContact O-N 2.91Å; K459-H462 PolarHBondContact O-N 3.07Å; K459-I463 HydrophobicContact CG-CD1 4.39Å; K459-I463 WeakPolarHBondContact O-CG1 3.2Å; K459-I463 PolarHBondContact O-N 3.48Å; K459-I463 VanDerWaalsContact O-N 3.14Å
460A98.2Very high97.9Very high6 Ų642 Ų425%0.0522%0.217CC..Hα-helixtrans-61.3-38.9175.400000111.6S456 W457 I463 S464 V561 L565 M606S456-A460 WeakPolarHBondContact O-CB 3.44Å; S456-A460 PolarHBondContact O-N 3.28Å; W457-A460 PolarHBondContact O-N 3.34Å; A460-I463 PolarHBondContact O-N 2.87Å; A460-S464 PolarHBondContact O-N 3.21Å; A460-V561 HydrophobicContact CB-CG1 3.57Å; A460-L565 HydrophobicContact CB-CD1 3.91Å; A460-L565 HydrophobicContact CB-CD2 4.17Å; A460-L565 HydrophobicContact CB-CG 4.33Å; A460-M606 HydrophobicContact CB-CE 4.46Å; A460-M606 HydrophobicContact CB-SD 3.93Å
461M98.4Very high97.9Very high0 Ų039.8 Ų39.80%019%0.191CC..Hα-helixtrans-64.6-43.5174.6-78.2-59.6-65.400112.5F444 L445 W457 E458 K459 I463 S464 L465 Y603 M606 L616F444-M461 HydrophobicContact CD1-CE 4.3Å; L445-M461 HydrophobicContact CD1-CG 3.58Å; L445-M461 HydrophobicContact CD2-CG 4.49Å; L445-M461 HydrophobicContact CG-CG 4Å; W457-M461 WeakPolarHBondContact O-CG 3.49Å; W457-M461 PolarHBondContact O-N 2.67Å; E458-M461 WeakPolarHBondContact O-CB 3.34Å; E458-M461 PolarHBondContact O-N 3.34Å; K459-M461 VanDerWaalsContact C-N 3.27Å; K459-M461 PolarHBondContact O-N 2.91Å; M461-I463 VanDerWaalsContact C-N 3.32Å; M461-I463 PolarHBondContact O-N 3.47Å; M461-S464 PolarHBondContact O-N 3.24Å; M461-L465 HydrophobicContact CE-CD1 4.15Å; M461-L465 HydrophobicContact CE-CD2 4.24Å; M461-L465 HydrophobicContact CE-CG 4.16Å; M461-L465 WeakPolarHBondContact O-CB 3.31Å; M461-L465 WeakPolarHBondContact O-CG 3.35Å; M461-L465 PolarHBondContact O-N 2.96Å; M461-Y603 HydrophobicContact SD-CE1 4.18Å; M461-M606 HydrophobicContact CG-CE 4.33Å; M461-M606 HydrophobicContact CG-SD 4.1Å; M461-M606 HydrophobicContact SD-CE 3.86Å; M461-M606 HydrophobicContact SD-SD 4.37Å; M461-L616 HydrophobicContact CE-CD1 4.27Å; M461-L616 HydrophobicContact CE-CD2 3.54Å; M461-L616 HydrophobicContact SD-CD1 4.45Å
462H98.5Very high97.8Very high21 Ų2136.5 Ų36.510%0.09718%0.176CC..Hα-helixtrans-54.6-50.4172.9-79.2-53.6000111.6F329 E330 S439 E458 K459 S464 L465 V466F329-H462 PolarHBondContact N-ND1 3.2Å; F329-H462 VanDerWaalsContact N-ND1 3.1Å; E330-H462 IonicContact OE2-CE1 2.69Å; E330-H462 PolarHBondContact OE2-CE1 2.95Å; E330-H462 IonicContact OE2-ND1 3.23Å; S439-H462 WeakPolarHBondContact CB-CE1 3.23Å; E458-H462 PolarHBondContact O-N 2.89Å; K459-H462 PolarHBondContact O-N 3.07Å; H462-S464 PolarHBondContact O-N 3.06Å; H462-L465 PolarHBondContact O-N 3.21Å; H462-V466 WeakPolarHBondContact O-CB 3.45Å; H462-V466 VanDerWaalsContact O-CG2 3.24Å; H462-V466 WeakPolarHBondContact O-CG2 3.43Å; H462-V466 PolarHBondContact O-N 3.49Å
463I98.6Very high97.7Very high25 Ų2532.3 Ų32.313%0.12816%0.158CC..Hα-helixtrans-58.6-51.6-179.8-64.1167.9000110A324 K459 A460 M461 L465 V466 L467 V557 V561A324-I463 HydrophobicContact CB-CG2 4.47Å; K459-I463 HydrophobicContact CG-CD1 4.39Å; K459-I463 WeakPolarHBondContact O-CG1 3.2Å; K459-I463 PolarHBondContact O-N 3.48Å; K459-I463 VanDerWaalsContact O-N 3.14Å; A460-I463 PolarHBondContact O-N 2.87Å; M461-I463 VanDerWaalsContact C-N 3.32Å; M461-I463 PolarHBondContact O-N 3.47Å; I463-L465 PolarHBondContact O-N 3.2Å; I463-V466 PolarHBondContact O-N 3.48Å; I463-L467 HydrophobicContact CG2-CD1 3.96Å; I463-L467 HydrophobicContact CG2-CG 4.35Å; I463-L467 VanDerWaalsContact O-CG 3.26Å; I463-L467 WeakPolarHBondContact O-CG 3.32Å; I463-L467 PolarHBondContact O-N 2.91Å; I463-V557 HydrophobicContact CG2-CG1 3.53Å; I463-V561 HydrophobicContact CB-CG2 4.25Å; I463-V561 HydrophobicContact CD1-CG2 3.62Å; I463-V561 HydrophobicContact CG2-CG2 3.85Å
464S98.2Very high97.6Very high1 Ų132.6 Ų32.61%0.00716%0.158CC..Hα-helixtrans-59.7-47.1-178.4-168.10000112.3A460 M461 H462 V466 L467 Y468 Y603A460-S464 PolarHBondContact O-N 3.21Å; M461-S464 PolarHBondContact O-N 3.24Å; H462-S464 PolarHBondContact O-N 3.06Å; S464-V466 VanDerWaalsContact C-N 3.33Å; S464-V466 PolarHBondContact O-N 3.22Å; S464-L467 PolarHBondContact O-N 3.09Å; S464-Y468 WeakPolarHBondContact O-CD2 3.34Å; S464-Y468 PolarHBondContact O-N 3.12Å; S464-Y603 PolarHBondContact OG-OH 2.9Å
465L98.7Very high97.5Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-64.2-37.5-179.6-64.9174.3000111.6F329 I440 M461 H462 I463 Y468 A469 I619 A620F329-L465 HydrophobicContact CB-CB 3.99Å; F329-L465 HydrophobicContact CB-CD1 4.39Å; F329-L465 HydrophobicContact CD1-CB 3.9Å; F329-L465 HydrophobicContact CD1-CD1 3.67Å; F329-L465 HydrophobicContact CD1-CG 4.39Å; F329-L465 HydrophobicContact CD2-CB 3.45Å; F329-L465 VanDerWaalsContact CD2-CB 3.45Å; F329-L465 HydrophobicContact CE1-CB 4.2Å; F329-L465 HydrophobicContact CE1-CD1 4.06Å; F329-L465 HydrophobicContact CE2-CB 3.83Å; F329-L465 HydrophobicContact CG-CB 3.49Å; F329-L465 VanDerWaalsContact CG-CB 3.49Å; F329-L465 HydrophobicContact CG-CD1 4.03Å; F329-L465 HydrophobicContact CG-CG 4.41Å; F329-L465 HydrophobicContact CZ-CB 4.18Å; I440-L465 HydrophobicContact CG2-CD1 4.26Å; M461-L465 HydrophobicContact CE-CD1 4.15Å; M461-L465 HydrophobicContact CE-CD2 4.24Å; M461-L465 HydrophobicContact CE-CG 4.16Å; M461-L465 WeakPolarHBondContact O-CB 3.31Å; M461-L465 WeakPolarHBondContact O-CG 3.35Å; M461-L465 PolarHBondContact O-N 2.96Å; H462-L465 PolarHBondContact O-N 3.21Å; I463-L465 PolarHBondContact O-N 3.2Å; L465-Y468 PolarHBondContact O-N 3.08Å; L465-A469 WeakPolarHBondContact O-CB 3.37Å; L465-A469 PolarHBondContact O-N 2.74Å; L465-I619 HydrophobicContact CD2-CG2 4.27Å; L465-A620 HydrophobicContact CB-CB 4.28Å; L465-A620 HydrophobicContact CD2-CB 3.75Å; L465-A620 WeakPolarHBondContact O-CB 3.42Å
466V98.7Very high97.5Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-62-46.7172.7168.70000111.4Y315 I320 L323 A324 F329 V332 H462 I463 S464 Y468 A469Y315-V466 VanDerWaalsContact CE2-O 3.31Å; Y315-V466 WeakPolarHBondContact CE2-O 3.13Å; Y315-V466 PolarHBondContact OH-O 3.39Å; I320-V466 HydrophobicContact CD1-CG1 4.03Å; L323-V466 HydrophobicContact CB-CG1 4.1Å; A324-V466 HydrophobicContact CB-CG1 4.2Å; F329-V466 HydrophobicContact CB-CG2 4.25Å; F329-V466 HydrophobicContact CD2-CG2 4.32Å; V332-V466 HydrophobicContact CB-CG2 4.13Å; V332-V466 HydrophobicContact CG2-CB 4.48Å; V332-V466 HydrophobicContact CG2-CG1 4.03Å; V332-V466 HydrophobicContact CG2-CG2 3.72Å; H462-V466 WeakPolarHBondContact O-CB 3.45Å; H462-V466 VanDerWaalsContact O-CG2 3.24Å; H462-V466 WeakPolarHBondContact O-CG2 3.43Å; H462-V466 PolarHBondContact O-N 3.49Å; I463-V466 PolarHBondContact O-N 3.48Å; S464-V466 VanDerWaalsContact C-N 3.33Å; S464-V466 PolarHBondContact O-N 3.22Å; V466-Y468 PolarHBondContact O-N 3.17Å; V466-A469 WeakPolarHBondContact O-CB 3.4Å; V466-A469 PolarHBondContact O-N 3.24Å
467L98.3Very high97.6Very high0 Ų023.2 Ų23.20%012%0.115CC..Hα-helixtrans-64.5-29.5-179.7-63.3176.7000112.8Y315 I320 A324 I463 S464 R554 V557 I558 L595Y315-L467 PolarHBondContact OH-O 3.15Å; I320-L467 HydrophobicContact CD1-CD2 4.29Å; I320-L467 HydrophobicContact CG1-CD2 3.76Å; A324-L467 HydrophobicContact CB-CD2 3.77Å; A324-L467 HydrophobicContact CB-CG 4.41Å; I463-L467 HydrophobicContact CG2-CD1 3.96Å; I463-L467 HydrophobicContact CG2-CG 4.35Å; I463-L467 VanDerWaalsContact O-CG 3.26Å; I463-L467 WeakPolarHBondContact O-CG 3.32Å; I463-L467 PolarHBondContact O-N 2.91Å; S464-L467 PolarHBondContact O-N 3.09Å; L467-R554 HydrophobicContact CB-CB 4.31Å; L467-R554 HydrophobicContact CB-CG 4.46Å; L467-R554 HydrophobicContact CD1-CB 4.35Å; L467-R554 HydrophobicContact CD2-CB 3.88Å; L467-R554 HydrophobicContact CD2-CG 3.97Å; L467-R554 HydrophobicContact CG-CB 4.39Å; L467-R554 VanDerWaalsContact O-CD 3.29Å; L467-R554 WeakPolarHBondContact O-CD 3.34Å; L467-V557 HydrophobicContact CD1-CB 3.99Å; L467-V557 HydrophobicContact CD1-CG1 4.02Å; L467-V557 HydrophobicContact CD2-CB 4.26Å; L467-V557 HydrophobicContact CD2-CG1 4.4Å; L467-V557 HydrophobicContact CD2-CG2 4.46Å; L467-I558 HydrophobicContact CD1-CB 3.99Å; L467-I558 HydrophobicContact CD1-CD1 4.45Å; L467-L595 HydrophobicContact CB-CD1 3.97Å; L467-L595 HydrophobicContact CB-CD2 4Å; L467-L595 HydrophobicContact CD1-CD1 3.85Å
468Y98.2Very high97.5Very high1 Ų122 Ų220%0.00411%0.112CC..Hα-helixtrans-90.7-12176.4-80.5-65.1000114.6S464 L465 V466 E470 L595 D596 S599 Y603 F617 A620 R621S464-Y468 WeakPolarHBondContact O-CD2 3.34Å; S464-Y468 PolarHBondContact O-N 3.12Å; L465-Y468 PolarHBondContact O-N 3.08Å; V466-Y468 PolarHBondContact O-N 3.17Å; Y468-E470 VanDerWaalsContact C-N 3.31Å; Y468-E470 PolarHBondContact O-N 3.38Å; Y468-E470 VanDerWaalsContact O-N 3.17Å; Y468-L595 HydrophobicContact CD1-CD2 3.48Å; Y468-L595 VanDerWaalsContact CD1-CD2 3.48Å; Y468-L595 HydrophobicContact CD1-CG 4.48Å; Y468-L595 HydrophobicContact CD2-CD2 3.99Å; Y468-L595 HydrophobicContact CE1-CD2 3.31Å; Y468-L595 HydrophobicContact CE1-CG 3.86Å; Y468-L595 HydrophobicContact CE2-CD2 3.86Å; Y468-L595 HydrophobicContact CE2-CG 4.06Å; Y468-L595 HydrophobicContact CG-CD2 3.82Å; Y468-D596 VanDerWaalsContact CE1-OD1 3.28Å; Y468-D596 WeakPolarHBondContact CE1-OD1 3.48Å; Y468-D596 PolarHBondContact OH-OD1 3.39Å; Y468-S599 WeakPolarHBondContact CE2-OG 3.49Å; Y468-S599 WeakPolarHBondContact OH-CB 3.35Å; Y468-S599 PolarHBondContact OH-OG 3.41Å; Y468-S599 VanDerWaalsContact OH-OG 3.06Å; Y468-Y603 HydrophobicContact CE2-CE2 4.45Å; Y468-F617 AromaticContact CD1-CD1 3.45Å; Y468-F617 HydrophobicContact CD1-CD1 3.45Å; Y468-F617 VanDerWaalsContact CD1-CD1 3.45Å; Y468-F617 AromaticContact CD1-CD2 3.91Å; Y468-F617 HydrophobicContact CD1-CD2 3.91Å; Y468-F617 AromaticContact CD1-CE1 3.43Å; Y468-F617 HydrophobicContact CD1-CE1 3.43Å; Y468-F617 VanDerWaalsContact CD1-CE1 3.43Å; Y468-F617 AromaticContact CD1-CE2 3.9Å; Y468-F617 HydrophobicContact CD1-CE2 3.9Å; Y468-F617 AromaticContact CD1-CG 3.69Å; Y468-F617 HydrophobicContact CD1-CG 3.69Å; Y468-F617 AromaticContact CD1-CZ 3.66Å; Y468-F617 HydrophobicContact CD1-CZ 3.66Å; Y468-F617 AromaticContact CE1-CD1 3.28Å; Y468-F617 HydrophobicContact CE1-CD1 3.28Å; Y468-F617 AromaticContact CE1-CE1 3.28Å; Y468-F617 HydrophobicContact CE1-CE1 3.28Å; Y468-F617 AromaticContact CE1-CG 3.96Å; Y468-F617 HydrophobicContact CE1-CG 3.96Å; Y468-F617 AromaticContact CE1-CZ 3.97Å; Y468-F617 HydrophobicContact CE1-CZ 3.97Å; Y468-F617 HydrophobicContact CG-CD1 4.38Å; Y468-F617 HydrophobicContact CG-CD2 4.44Å; Y468-F617 HydrophobicContact CG-CG 4.26Å; Y468-A620 VanDerWaalsContact CB-CB 3.43Å; Y468-R621 PolarHBondContact O-NE 3.47Å; Y468-R621 PolarHBondContact O-NH2 2.72Å
469A98.6Very high97.6Very high0 Ų022.6 Ų22.60%012%0.118CC..SBendtrans-54.8-40.8-168.700000114.2Y315 F329 V332 L336 L465 V466 R621 T623 G624Y315-A469 HydrophobicContact CE2-CB 3.92Å; F329-A469 HydrophobicContact CE2-CB 4.1Å; V332-A469 HydrophobicContact CG1-CB 4.02Å; L336-A469 HydrophobicContact CD1-CB 3.78Å; L465-A469 WeakPolarHBondContact O-CB 3.37Å; L465-A469 PolarHBondContact O-N 2.74Å; V466-A469 WeakPolarHBondContact O-CB 3.4Å; V466-A469 PolarHBondContact O-N 3.24Å; A469-R621 WeakPolarHBondContact O-CD 3.4Å; A469-T623 PolarHBondContact O-OG1 2.98Å; A469-G624 WeakPolarHBondContact O-CA 3.28Å; A469-G624 PolarHBondContact O-N 3.09Å
470E98.3Very high97.6Very high0 Ų016.3 Ų16.30%09%0.09CC..  trans-152.8144.8-173.8174.646.3-123.700112C304 Y315 L336 Y468 E472 G624 H628C304-E470 HydrophobicContact CB-CG 3.53Å; Y315-E470 HydrophobicContact CD1-CB 4.05Å; Y315-E470 HydrophobicContact CD1-CG 4.27Å; Y315-E470 HydrophobicContact CE1-CB 3.68Å; Y315-E470 HydrophobicContact CE1-CG 4.2Å; Y315-E470 WeakPolarHBondContact CE1-O 3.27Å; Y315-E470 HydrophobicContact CE2-CB 4.44Å; Y315-E470 PolarHBondContact OH-N 2.99Å; Y315-E470 PolarHBondContact OH-O 3.11Å; L336-E470 HydrophobicContact CD1-CB 3.85Å; L336-E470 HydrophobicContact CD2-CB 4.07Å; L336-E470 HydrophobicContact CD2-CG 4.15Å; Y468-E470 VanDerWaalsContact C-N 3.31Å; Y468-E470 PolarHBondContact O-N 3.38Å; Y468-E470 VanDerWaalsContact O-N 3.17Å; E470-E472 VanDerWaalsContact OE1-CA 3.32Å; E470-E472 WeakPolarHBondContact OE1-CA 3.47Å; E470-E472 PolarHBondContact OE1-N 2.77Å; E470-G624 WeakPolarHBondContact OE2-CA 3.31Å; E470-H628 VanDerWaalsContact CD-NE2 3.31Å; E470-H628 IonicContact OE1-CD2 3.24Å; E470-H628 IonicContact OE1-NE2 3.75Å; E470-H628 PolarHBondContact OE1-NE2 3.08Å; E470-H628 IonicContact OE2-CD2 3.69Å; E470-H628 PolarHBondContact OE2-CD2 3.4Å; E470-H628 VanDerWaalsContact OE2-CD2 3.23Å; E470-H628 IonicContact OE2-NE2 2.78Å; E470-H628 PolarHBondContact OE2-NE2 3.41Å
471H97.1Very high97.6Very high13 Ų1316.1 Ų16.16%0.069%0.088CC..  trans-158.752.4-179.4-148.3-101.2000114.4N474 H545 Y548 R554H471-N474 PolarHBondContact O-ND2 3.41Å; H471-H545 AromaticContact CE1-CE1 3.37Å; H471-H545 PolarHBondContact CE1-CE1 3.39Å; H471-H545 AromaticContact CE1-NE2 3.27Å; H471-H545 PolarHBondContact CE1-NE2 3.05Å; H471-H545 VanDerWaalsContact CE1-NE2 3.27Å; H471-H545 AromaticContact ND1-NE2 3.88Å; H471-Y548 AromaticContact CE1-CE2 3.78Å; H471-Y548 AromaticContact CE1-CZ 3.98Å; H471-Y548 AromaticContact NE2-CE2 3.49Å; H471-Y548 WeakPolarHBondContact NE2-CE2 3.37Å; H471-Y548 AromaticContact NE2-CZ 3.45Å; H471-Y548 PolarHBondContact NE2-OH 2.93Å; H471-R554 PolarHBondContact CD2-NH1 2.84Å; H471-R554 PolarHBondContact NE2-NH2 2.84Å
472E94.4Very high97.5Very high69 Ų6918.5 Ų18.532%0.32210%0.103SC..THydrogen-bonded Turntrans45.9-141.7179.7-161.6-139.1-121.700113.1T301 V306 E470 N474 T477T301-E472 HydrophobicContact CG2-CG 4.34Å; V306-E472 HydrophobicContact CG2-CB 3.58Å; E470-E472 VanDerWaalsContact OE1-CA 3.32Å; E470-E472 WeakPolarHBondContact OE1-CA 3.47Å; E470-E472 PolarHBondContact OE1-N 2.77Å; E472-N474 PolarHBondContact O-N 3.49Å; E472-N474 PolarHBondContact O-ND2 3.15Å; E472-T477 VanDerWaalsContact O-CB 3.28Å; E472-T477 WeakPolarHBondContact O-CB 3.48Å; E472-T477 VanDerWaalsContact O-CG2 3.31Å; E472-T477 WeakPolarHBondContact O-CG2 3.43Å; E472-T477 PolarHBondContact O-OG1 3.15Å
473F95.5Very high97.5Very high39 Ų3919.5 Ų19.517%0.17111%0.108CC..THydrogen-bonded Turntrans-87.746.5-171.4-77.820.2000112.2A298 T301 T477 F478 R481 H628A298-F473 HydrophobicContact CB-CD2 4.15Å; A298-F473 HydrophobicContact CB-CE2 4.33Å; T301-F473 HydrophobicContact CG2-CE1 4.39Å; F473-T477 HydrophobicContact CD1-CG2 4.49Å; F473-F478 AromaticContact CD2-CD2 3.92Å; F473-F478 HydrophobicContact CD2-CD2 3.92Å; F473-F478 HydrophobicContact CD2-CE2 4.35Å; F473-F478 HydrophobicContact CG-CD2 4.47Å; F473-R481 VanDerWaalsContact CE1-CD 3.43Å; F473-H628 AromaticContact CD1-CE1 3.83Å; F473-H628 AromaticContact CE1-CE1 3.59Å; F473-H628 AromaticContact CE1-ND1 3.54Å
474N94.4Very high97.5Very high23 Ų2318.5 Ų18.512%0.12310%0.104CC..  trans-57.9160.6165.965.176.8000111H471 E472 S476 T477 F478 H506 R621H471-N474 PolarHBondContact O-ND2 3.41Å; E472-N474 PolarHBondContact O-N 3.49Å; E472-N474 PolarHBondContact O-ND2 3.15Å; N474-S476 VanDerWaalsContact C-N 3.31Å; N474-S476 PolarHBondContact O-N 2.92Å; N474-S476 VanDerWaalsContact O-N 3.13Å; N474-S476 PolarHBondContact OD1-N 3.22Å; N474-S476 PolarHBondContact OD1-OG 3.45Å; N474-T477 PolarHBondContact ND2-OG1 3.28Å; N474-T477 PolarHBondContact O-N 3.04Å; N474-T477 PolarHBondContact OD1-N 2.96Å; N474-T477 VanDerWaalsContact OD1-N 3.13Å; N474-T477 PolarHBondContact OD1-OG1 2.78Å; N474-F478 PolarHBondContact O-N 2.87Å; N474-H506 PolarHBondContact OD1-NE2 3.44Å; N474-R621 PolarHBondContact ND2-NH1 3.12Å
475A94.7Very high97.3Very high56 Ų5619 Ų1946%0.46311%0.11SC..Hα-helixtrans-51.4-45.3-169.800000113.9F478 T479A475-F478 PolarHBondContact O-N 2.86Å; A475-T479 WeakPolarHBondContact O-CB 3.26Å; A475-T479 PolarHBondContact O-N 3.41Å; A475-T479 PolarHBondContact O-OG1 3.36Å
476S98Very high97.2Very high0 Ų023.5 Ų23.50%014%0.137CC..Hα-helixtrans-67.5-41178.453.70000114N474 F478 T479 S480 A497 H506 W625N474-S476 VanDerWaalsContact C-N 3.31Å; N474-S476 PolarHBondContact O-N 2.92Å; N474-S476 VanDerWaalsContact O-N 3.13Å; N474-S476 PolarHBondContact OD1-N 3.22Å; N474-S476 PolarHBondContact OD1-OG 3.45Å; S476-F478 VanDerWaalsContact C-N 3.34Å; S476-T479 PolarHBondContact O-N 2.75Å; S476-S480 PolarHBondContact O-N 2.93Å; S476-A497 VanDerWaalsContact CB-O 3.29Å; S476-A497 WeakPolarHBondContact CB-O 3.5Å; S476-A497 WeakPolarHBondContact O-CB 3.24Å; S476-H506 WeakPolarHBondContact CB-NE2 3.32Å; S476-H506 PolarHBondContact N-NE2 3.24Å; S476-H506 PolarHBondContact OG-NE2 3.44Å; S476-W625 WeakPolarHBondContact OG-CZ2 3.46Å; S476-W625 PolarHBondContact OG-NE1 2.97Å; S476-W625 VanDerWaalsContact OG-NE1 3.08Å
477T98.4Very high97Very high0 Ų025.7 Ų25.70%016%0.16CC..Hα-helixtrans-65.4-42.2174.6-62.20000110.2E472 F473 N474 T479 S480 R481 W625 H628E472-T477 VanDerWaalsContact O-CB 3.28Å; E472-T477 WeakPolarHBondContact O-CB 3.48Å; E472-T477 VanDerWaalsContact O-CG2 3.31Å; E472-T477 WeakPolarHBondContact O-CG2 3.43Å; E472-T477 PolarHBondContact O-OG1 3.15Å; F473-T477 HydrophobicContact CD1-CG2 4.49Å; N474-T477 PolarHBondContact ND2-OG1 3.28Å; N474-T477 PolarHBondContact O-N 3.04Å; N474-T477 PolarHBondContact OD1-N 2.96Å; N474-T477 VanDerWaalsContact OD1-N 3.13Å; N474-T477 PolarHBondContact OD1-OG1 2.78Å; T477-T479 VanDerWaalsContact C-N 3.35Å; T477-T479 PolarHBondContact O-N 3.2Å; T477-S480 PolarHBondContact O-N 2.85Å; T477-S480 PolarHBondContact O-OG 3.45Å; T477-R481 WeakPolarHBondContact O-CG 3.42Å; T477-R481 PolarHBondContact O-N 3.13Å; T477-W625 VanDerWaalsContact OG1-CD1 3.32Å; T477-H628 HydrophobicContact CG2-CB 3.77Å; T477-H628 VanDerWaalsContact CG2-CD2 3.4Å; T477-H628 WeakPolarHBondContact CG2-CD2 3.44Å; T477-H628 VanDerWaalsContact CG2-CG 3.4Å
478F97.3Very high96.9Very high42 Ų4227.2 Ų27.218%0.18417%0.17CC..Hα-helixtrans-64.9-39.8178.3-168.9-114.9000111.6L293 A298 F473 N474 A475 S476 S480 R481 V482 I639L293-F478 HydrophobicContact CD1-CE1 3.87Å; L293-F478 HydrophobicContact CD1-CZ 4.13Å; A298-F478 HydrophobicContact CB-CD2 4.42Å; A298-F478 HydrophobicContact CB-CE2 3.56Å; A298-F478 HydrophobicContact CB-CZ 4.06Å; F473-F478 AromaticContact CD2-CD2 3.92Å; F473-F478 HydrophobicContact CD2-CD2 3.92Å; F473-F478 HydrophobicContact CD2-CE2 4.35Å; F473-F478 HydrophobicContact CG-CD2 4.47Å; N474-F478 PolarHBondContact O-N 2.87Å; A475-F478 PolarHBondContact O-N 2.86Å; S476-F478 VanDerWaalsContact C-N 3.34Å; F478-S480 PolarHBondContact O-N 3.41Å; F478-R481 PolarHBondContact O-N 2.79Å; F478-V482 HydrophobicContact CD1-CG2 4.22Å; F478-V482 HydrophobicContact CE1-CG2 3.96Å; F478-V482 HydrophobicContact CZ-CG2 4.15Å; F478-V482 VanDerWaalsContact O-CG2 3.29Å; F478-V482 WeakPolarHBondContact O-CG2 3.43Å; F478-V482 PolarHBondContact O-N 3.07Å; F478-I639 HydrophobicContact CE2-CD1 4.06Å; F478-I639 HydrophobicContact CE2-CG2 4.48Å; F478-I639 HydrophobicContact CZ-CG2 3.96Å
479T98.4Very high96.9Very high47 Ų4729.2 Ų29.229%0.28818%0.181SC..Hα-helixtrans-59.5-45.2172.1-62.90000112.1A475 S476 T477 R481 V482 I483 A500A475-T479 WeakPolarHBondContact O-CB 3.26Å; A475-T479 PolarHBondContact O-N 3.41Å; A475-T479 PolarHBondContact O-OG1 3.36Å; S476-T479 PolarHBondContact O-N 2.75Å; T477-T479 VanDerWaalsContact C-N 3.35Å; T477-T479 PolarHBondContact O-N 3.2Å; T479-R481 VanDerWaalsContact C-N 3.31Å; T479-R481 PolarHBondContact O-N 3.38Å; T479-V482 PolarHBondContact O-N 3.37Å; T479-I483 HydrophobicContact CG2-CD1 4.01Å; T479-I483 WeakPolarHBondContact O-CG1 3.49Å; T479-I483 PolarHBondContact O-N 2.97Å; T479-A500 HydrophobicContact CG2-CB 4.44Å
480S98.3Very high96.9Very high0 Ų029.2 Ų29.20%018%0.181CC..Hα-helixtrans-63.5-38.6178.879.20000111.9S476 T477 F478 I483 A484 A493S476-S480 PolarHBondContact O-N 2.93Å; T477-S480 PolarHBondContact O-N 2.85Å; T477-S480 PolarHBondContact O-OG 3.45Å; F478-S480 PolarHBondContact O-N 3.41Å; S480-I483 PolarHBondContact O-N 2.87Å; S480-A484 VanDerWaalsContact O-CB 3.3Å; S480-A484 WeakPolarHBondContact O-CB 3.38Å; S480-A484 PolarHBondContact O-N 3.37Å; S480-A493 WeakPolarHBondContact CB-O 3.43Å
481R98.2Very high96.9Very high2 Ų229.6 Ų29.61%0.00818%0.182CC..Hα-helixtrans-67.4-39.9173.8-67.3-170.475.7116-15.9112.7N300 F473 T477 F478 T479 I483 A484 G485 H628 E631 Q632 I639N300-R481 PolarHBondContact O-NH2 3.49Å; F473-R481 VanDerWaalsContact CE1-CD 3.43Å; T477-R481 WeakPolarHBondContact O-CG 3.42Å; T477-R481 PolarHBondContact O-N 3.13Å; F478-R481 PolarHBondContact O-N 2.79Å; T479-R481 VanDerWaalsContact C-N 3.31Å; T479-R481 PolarHBondContact O-N 3.38Å; R481-I483 VanDerWaalsContact C-N 3.31Å; R481-I483 PolarHBondContact O-N 3.29Å; R481-A484 PolarHBondContact O-N 3.02Å; R481-G485 PolarHBondContact O-N 2.89Å; R481-H628 HydrophobicContact CG-CB 3.97Å; R481-H628 PolarHBondContact NH1-ND1 3.05Å; R481-H628 PolarHBondContact NH1-O 2.93Å; R481-E631 IonicContact NH1-OE2 3.12Å; R481-E631 PolarHBondContact NH1-OE2 3.03Å; R481-E631 VanDerWaalsContact NH1-OE2 3.11Å; R481-Q632 HydrophobicContact CB-CB 4.35Å; R481-Q632 HydrophobicContact CB-CG 4.18Å; R481-Q632 HydrophobicContact CG-CB 4.25Å; R481-Q632 WeakPolarHBondContact O-CG 3.38Å; R481-I639 HydrophobicContact CB-CD1 4.21Å
482V97.8Very high97Very high50 Ų5031.1 Ų31.130%0.30319%0.194SC..Hα-helixtrans-58.7-45.8174.8169.30000110.6F478 T479 G485 I639F478-V482 HydrophobicContact CD1-CG2 4.22Å; F478-V482 HydrophobicContact CE1-CG2 3.96Å; F478-V482 HydrophobicContact CZ-CG2 4.15Å; F478-V482 VanDerWaalsContact O-CG2 3.29Å; F478-V482 WeakPolarHBondContact O-CG2 3.43Å; F478-V482 PolarHBondContact O-N 3.07Å; T479-V482 PolarHBondContact O-N 3.37Å; V482-G485 PolarHBondContact O-N 3.36Å; V482-I639 HydrophobicContact CG2-CB 4.11Å; V482-I639 HydrophobicContact CG2-CD1 4.02Å; V482-I639 HydrophobicContact CG2-CG2 3.92Å
483I98.2Very high97.2Very high42 Ų4227.8 Ų27.822%0.21518%0.179CC..Hα-helixtrans-67-46.2178.1-64.4166.1000111T479 S480 R481 G485 T486 S488 A493T479-I483 HydrophobicContact CG2-CD1 4.01Å; T479-I483 WeakPolarHBondContact O-CG1 3.49Å; T479-I483 PolarHBondContact O-N 2.97Å; S480-I483 PolarHBondContact O-N 2.87Å; R481-I483 VanDerWaalsContact C-N 3.31Å; R481-I483 PolarHBondContact O-N 3.29Å; I483-G485 PolarHBondContact O-N 3.37Å; I483-T486 PolarHBondContact O-N 3.02Å; I483-T486 VanDerWaalsContact O-N 3.14Å; I483-T486 PolarHBondContact O-OG1 3.36Å; I483-S488 WeakPolarHBondContact O-CB 3.27Å; I483-A493 HydrophobicContact CB-CB 4.13Å; I483-A493 HydrophobicContact CG2-CB 3.94Å
484A97.1Very high97.3Very high3 Ų326 Ų263%0.02517%0.171CC..Hα-helixtrans-61.1-35.2177.100000112.4S480 R481 T486 G487 I629 Q632S480-A484 VanDerWaalsContact O-CB 3.3Å; S480-A484 WeakPolarHBondContact O-CB 3.38Å; S480-A484 PolarHBondContact O-N 3.37Å; R481-A484 PolarHBondContact O-N 3.02Å; A484-T486 PolarHBondContact O-N 3.15Å; A484-G487 PolarHBondContact O-N 2.77Å; A484-I629 HydrophobicContact CB-CB 4.29Å; A484-I629 HydrophobicContact CB-CG1 4.22Å; A484-I629 HydrophobicContact CB-CG2 3.86Å; A484-Q632 HydrophobicContact CB-CB 4.12Å; A484-Q632 HydrophobicContact CB-CG 4.15Å
485G95.5Very high97.5Very high13 Ų1326.6 Ų26.613%0.13417%0.174CC..THydrogen-bonded Turntrans-66.3-12.617800000114.4R481 V482 I483 G487 I638R481-G485 PolarHBondContact O-N 2.89Å; V482-G485 PolarHBondContact O-N 3.36Å; I483-G485 PolarHBondContact O-N 3.37Å; G485-G487 VanDerWaalsContact C-N 3.32Å; G485-I638 WeakPolarHBondContact O-CA 3.43Å
486T95.9Very high97.7Very high94 Ų9424.8 Ų24.858%0.57716%0.161SC*.THydrogen-bonded Turntrans-86.4-5.1170.473.20000113I483 A484I483-T486 PolarHBondContact O-N 3.02Å; I483-T486 VanDerWaalsContact O-N 3.14Å; I483-T486 PolarHBondContact O-OG1 3.36Å; A484-T486 PolarHBondContact O-N 3.15Å
487G94.5Very high97.8Very high46 Ų4624.8 Ų24.847%0.47416%0.161SC..THydrogen-bonded Turntrans83.914.9-171.200000113.9H398 A484 G485H398-G487 PolarHBondContact CE1-O 2.82Å; A484-G487 PolarHBondContact O-N 2.77Å; G485-G487 VanDerWaalsContact C-N 3.32Å
488S96.7Very high97.8Very high32 Ų3224.9 Ų24.922%0.22416%0.161CC..  trans-73.3165.1177.6-168.70000113.1I483 S492 R633I483-S488 WeakPolarHBondContact O-CB 3.27Å; S488-S492 VanDerWaalsContact OG-CB 3.31Å; S488-S492 WeakPolarHBondContact OG-CB 3.46Å; S488-R633 PolarHBondContact O-NH2 3.38Å
489D97.5Very high97.8Very high42 Ų4224.6 Ų24.623%0.22517%0.17CC..  trans-74163.3-17776.4-80.5000113E394 Y491 S492 A493 R633E394-D489 HydrophobicContact CB-CB 4.16Å; E394-D489 VanDerWaalsContact OE2-CA 3.26Å; E394-D489 WeakPolarHBondContact OE2-CA 3.1Å; E394-D489 WeakPolarHBondContact OE2-CB 3.43Å; D489-Y491 PolarHBondContact O-N 3.23Å; D489-Y491 WeakPolarHBondContact OD2-CA 3.38Å; D489-Y491 WeakPolarHBondContact OD2-CB 3.29Å; D489-Y491 PolarHBondContact OD2-N 3.23Å; D489-S492 PolarHBondContact O-N 2.94Å; D489-S492 WeakPolarHBondContact OD1-CB 3.43Å; D489-S492 PolarHBondContact OD1-OG 3.37Å; D489-S492 PolarHBondContact OD2-N 3.46Å; D489-A493 PolarHBondContact O-N 3.18Å; D489-A493 VanDerWaalsContact O-N 3.16Å; D489-R633 VanDerWaalsContact CA-NH2 3.28Å
490M98.4Very high97.7Very high0 Ų023.7 Ų23.70%017%0.168CC..Hα-helixtrans-63.2-40.4-177178.76874.900111.2E394 A403 I406 A493 I494 A626 I629 I630E394-M490 WeakPolarHBondContact OE2-CB 3.38Å; E394-M490 PolarHBondContact OE2-N 2.94Å; A403-M490 HydrophobicContact CB-CE 3.68Å; I406-M490 HydrophobicContact CB-CG 4.29Å; I406-M490 HydrophobicContact CD1-CB 4.44Å; I406-M490 HydrophobicContact CG2-CB 4.06Å; I406-M490 HydrophobicContact CG2-CG 3.65Å; M490-A493 PolarHBondContact O-N 2.99Å; M490-I494 HydrophobicContact CG-CG1 4.42Å; M490-I494 VanDerWaalsContact O-CG1 3.27Å; M490-I494 WeakPolarHBondContact O-CG1 3.02Å; M490-I494 PolarHBondContact O-N 2.8Å; M490-I494 HydrophobicContact SD-CG1 4.23Å; M490-A626 HydrophobicContact CE-CB 4.27Å; M490-A626 HydrophobicContact SD-CB 4.09Å; M490-I629 HydrophobicContact CE-CB 4.02Å; M490-I629 HydrophobicContact CE-CG2 3.65Å; M490-I629 HydrophobicContact SD-CB 3.9Å; M490-I629 HydrophobicContact SD-CD1 3.37Å; M490-I629 WeakPolarHBondContact SD-CD1 3.4Å; M490-I629 HydrophobicContact SD-CG1 4.23Å; M490-I629 HydrophobicContact SD-CG2 3.7Å; M490-I630 HydrophobicContact CE-CG1 4.15Å
491Y98.7Very high97.6Very high8 Ų823.7 Ų23.73%0.03117%0.168CC..Hα-helixtrans-65.3-45.9179.6-58.8-83.3000110.5V385 L388 L392 I406 L410 D489 A493 I494 I495V385-Y491 HydrophobicContact CG1-CD1 4.09Å; L388-Y491 HydrophobicContact CB-CE1 4.43Å; L388-Y491 HydrophobicContact CD2-CE1 4.18Å; L388-Y491 HydrophobicContact CG-CE1 4.16Å; L392-Y491 WeakPolarHBondContact O-CE2 3.46Å; L392-Y491 PolarHBondContact O-OH 3.26Å; I406-Y491 HydrophobicContact CD1-CE2 4.04Å; I406-Y491 HydrophobicContact CG1-CE2 4.27Å; I406-Y491 HydrophobicContact CG2-CD1 4.31Å; I406-Y491 HydrophobicContact CG2-CD2 4.41Å; I406-Y491 HydrophobicContact CG2-CE1 3.78Å; I406-Y491 HydrophobicContact CG2-CE2 3.92Å; L410-Y491 HydrophobicContact CD1-CD1 4.31Å; L410-Y491 HydrophobicContact CD1-CE1 4.41Å; L410-Y491 HydrophobicContact CD2-CD1 4.15Å; L410-Y491 HydrophobicContact CD2-CE1 4.04Å; L410-Y491 HydrophobicContact CG-CE1 4.3Å; D489-Y491 PolarHBondContact O-N 3.23Å; D489-Y491 WeakPolarHBondContact OD2-CA 3.38Å; D489-Y491 WeakPolarHBondContact OD2-CB 3.29Å; D489-Y491 PolarHBondContact OD2-N 3.23Å; Y491-A493 VanDerWaalsContact C-N 3.31Å; Y491-A493 PolarHBondContact O-N 3.14Å; Y491-I494 PolarHBondContact O-N 2.88Å; Y491-I495 WeakPolarHBondContact O-CB 3.29Å; Y491-I495 VanDerWaalsContact O-CD1 3.29Å; Y491-I495 WeakPolarHBondContact O-CD1 3.34Å; Y491-I495 WeakPolarHBondContact O-CG1 3.49Å; Y491-I495 PolarHBondContact O-N 3.29Å
492S98.5Very high97.3Very high45 Ų4528.3 Ų28.332%0.31519%0.185SC..Hα-helixtrans-55.7-44.8175.5-70.90000112.6S488 D489 I495 G496S488-S492 VanDerWaalsContact OG-CB 3.31Å; S488-S492 WeakPolarHBondContact OG-CB 3.46Å; D489-S492 PolarHBondContact O-N 2.94Å; D489-S492 WeakPolarHBondContact OD1-CB 3.43Å; D489-S492 PolarHBondContact OD1-OG 3.37Å; D489-S492 PolarHBondContact OD2-N 3.46Å; S492-I495 PolarHBondContact O-N 3.04Å; S492-G496 PolarHBondContact O-N 2.85Å
493A98.6Very high96.7Very high0 Ų027.2 Ų27.20%018%0.184CC..Hα-helixtrans-66-41.3178.100000112.8S480 I483 D489 M490 Y491 G496 A497 I629S480-A493 WeakPolarHBondContact CB-O 3.43Å; I483-A493 HydrophobicContact CB-CB 4.13Å; I483-A493 HydrophobicContact CG2-CB 3.94Å; D489-A493 PolarHBondContact O-N 3.18Å; D489-A493 VanDerWaalsContact O-N 3.16Å; M490-A493 PolarHBondContact O-N 2.99Å; Y491-A493 VanDerWaalsContact C-N 3.31Å; Y491-A493 PolarHBondContact O-N 3.14Å; A493-G496 PolarHBondContact O-N 3.31Å; A493-A497 PolarHBondContact O-N 3.4Å; A493-I629 HydrophobicContact CB-CD1 3.44Å; A493-I629 VanDerWaalsContact CB-CD1 3.44Å; A493-I629 HydrophobicContact CB-CG1 3.8Å
494I98.8Very high95.8Very high0 Ų029.2 Ų29.20%020%0.2CC..Hα-helixtrans-67.3-39.7175.5-65.1-62000111.6V385 L410 M490 Y491 G496 A497 I498 V622 W625 I629V385-I494 HydrophobicContact CG1-CB 4.48Å; V385-I494 HydrophobicContact CG1-CG2 4.11Å; L410-I494 HydrophobicContact CD1-CB 4.48Å; L410-I494 HydrophobicContact CD1-CG1 4.04Å; L410-I494 HydrophobicContact CD1-CG2 4.39Å; M490-I494 HydrophobicContact CG-CG1 4.42Å; M490-I494 VanDerWaalsContact O-CG1 3.27Å; M490-I494 WeakPolarHBondContact O-CG1 3.02Å; M490-I494 PolarHBondContact O-N 2.8Å; M490-I494 HydrophobicContact SD-CG1 4.23Å; Y491-I494 PolarHBondContact O-N 2.88Å; I494-G496 VanDerWaalsContact C-N 3.32Å; I494-G496 PolarHBondContact O-N 3Å; I494-A497 WeakPolarHBondContact O-CB 3.02Å; I494-A497 PolarHBondContact O-N 3.44Å; I494-A497 VanDerWaalsContact O-N 3.13Å; I494-I498 HydrophobicContact CG2-CD1 3.92Å; I494-I498 HydrophobicContact CG2-CG1 4.35Å; I494-I498 WeakPolarHBondContact O-CG1 3.32Å; I494-I498 PolarHBondContact O-N 3.46Å; I494-V622 HydrophobicContact CD1-CG2 4.02Å; I494-V622 HydrophobicContact CG2-CG2 4.36Å; I494-W625 HydrophobicContact CD1-CB 3.49Å; I494-W625 VanDerWaalsContact CD1-CB 3.49Å; I494-W625 HydrophobicContact CD1-CE3 4.1Å; I494-W625 HydrophobicContact CD1-CG 4.38Å; I494-W625 HydrophobicContact CG2-CE3 4.49Å; I494-I629 HydrophobicContact CD1-CD1 3.71Å; I494-I629 HydrophobicContact CG1-CD1 4.02Å
495I98.8Very high94.9Very high37 Ų3739.3 Ų39.319%0.1924%0.243CC..Hα-helixtrans-58.5-45.4175.1-71.8160.6000110.5R382 V385 Y491 S492 A497 I498 G499R382-I495 HydrophobicContact CG-CG2 3.74Å; V385-I495 HydrophobicContact CB-CG1 4.2Å; V385-I495 HydrophobicContact CG1-CD1 4.36Å; V385-I495 HydrophobicContact CG1-CG1 3.79Å; Y491-I495 WeakPolarHBondContact O-CB 3.29Å; Y491-I495 VanDerWaalsContact O-CD1 3.29Å; Y491-I495 WeakPolarHBondContact O-CD1 3.34Å; Y491-I495 WeakPolarHBondContact O-CG1 3.49Å; Y491-I495 PolarHBondContact O-N 3.29Å; S492-I495 PolarHBondContact O-N 3.04Å; I495-A497 VanDerWaalsContact C-N 3.35Å; I495-I498 PolarHBondContact O-N 3.16Å; I495-G499 PolarHBondContact O-N 3.45Å
496G98.7Very high94.4Very high18 Ų1840.4 Ų40.419%0.18624%0.244CC..Hα-helixtrans-61.6-42174.200000112.6S492 A493 I494 G499 A500S492-G496 PolarHBondContact O-N 2.85Å; A493-G496 PolarHBondContact O-N 3.31Å; I494-G496 VanDerWaalsContact C-N 3.32Å; I494-G496 PolarHBondContact O-N 3Å; G496-G499 PolarHBondContact O-N 3.39Å; G496-A500 PolarHBondContact O-N 3.3Å
497A98.8Very high93.6Very high0 Ų036 Ų360%022%0.217CC..Hα-helixtrans-61.4-45.717700000112.4S476 A493 I494 I495 G499 A500 L501 W625S476-A497 VanDerWaalsContact CB-O 3.29Å; S476-A497 WeakPolarHBondContact CB-O 3.5Å; S476-A497 WeakPolarHBondContact O-CB 3.24Å; A493-A497 PolarHBondContact O-N 3.4Å; I494-A497 WeakPolarHBondContact O-CB 3.02Å; I494-A497 PolarHBondContact O-N 3.44Å; I494-A497 VanDerWaalsContact O-N 3.13Å; I495-A497 VanDerWaalsContact C-N 3.35Å; A497-G499 VanDerWaalsContact C-N 3.32Å; A497-G499 PolarHBondContact O-N 3.13Å; A497-A500 PolarHBondContact O-N 2.98Å; A497-L501 WeakPolarHBondContact O-CB 3.33Å; A497-L501 PolarHBondContact O-N 3.24Å; A497-W625 HydrophobicContact CB-CD2 3.5Å; A497-W625 VanDerWaalsContact CB-CD2 3.5Å; A497-W625 HydrophobicContact CB-CE3 3.76Å; A497-W625 HydrophobicContact CB-CG 3.97Å; A497-W625 HydrophobicContact CB-CH2 4.15Å; A497-W625 HydrophobicContact CB-CZ2 3.92Å; A497-W625 HydrophobicContact CB-CZ3 4.07Å
498I98.6Very high93Very high1 Ų134.1 Ų34.11%0.00520%0.198CC..Hα-helixtrans-60.2-43.8175.2-66.8167.7000110.2M378 M381 R382 V385 I494 I495 A500 L501 R502 V618 W625M378-I498 HydrophobicContact CE-CG2 3.75Å; M378-I498 VanDerWaalsContact CE-O 3.28Å; M378-I498 WeakPolarHBondContact CE-O 3.39Å; M381-I498 HydrophobicContact CB-CD1 4.47Å; M381-I498 HydrophobicContact CB-CG2 4.29Å; R382-I498 HydrophobicContact CB-CG2 3.92Å; V385-I498 HydrophobicContact CB-CD1 4.41Å; V385-I498 HydrophobicContact CG2-CD1 3.87Å; I494-I498 HydrophobicContact CG2-CD1 3.92Å; I494-I498 HydrophobicContact CG2-CG1 4.35Å; I494-I498 WeakPolarHBondContact O-CG1 3.32Å; I494-I498 PolarHBondContact O-N 3.46Å; I495-I498 PolarHBondContact O-N 3.16Å; I498-A500 PolarHBondContact O-N 3.21Å; I498-L501 PolarHBondContact O-N 3Å; I498-R502 PolarHBondContact O-N 2.92Å; I498-R502 VanDerWaalsContact O-N 3.08Å; I498-V618 HydrophobicContact CD1-CG1 4.1Å; I498-V618 HydrophobicContact CG1-CG1 3.94Å; I498-V618 HydrophobicContact CG1-CG2 4.24Å; I498-W625 HydrophobicContact CG1-CH2 4.26Å; I498-W625 HydrophobicContact CG1-CZ3 3.88Å
499G97.5Very high92.5Very high37 Ų3733 Ų3338%0.38119%0.19SC..Hα-helixtrans-58.8-44.4176.300000113I495 G496 A497I495-G499 PolarHBondContact O-N 3.45Å; G496-G499 PolarHBondContact O-N 3.39Å; A497-G499 VanDerWaalsContact C-N 3.32Å; A497-G499 PolarHBondContact O-N 3.13Å
500A96.7Very high91.9Very high28 Ų2831 Ų3123%0.23118%0.18CC..Hα-helixtrans-69.4-36.7176.600000112.8T479 G496 A497 I498 R502 G503T479-A500 HydrophobicContact CG2-CB 4.44Å; G496-A500 PolarHBondContact O-N 3.3Å; A497-A500 PolarHBondContact O-N 2.98Å; I498-A500 PolarHBondContact O-N 3.21Å; A500-R502 VanDerWaalsContact C-N 3.33Å; A500-R502 PolarHBondContact O-N 2.82Å; A500-G503 PolarHBondContact O-N 3.09Å
501L96Very high91.5Very high0 Ų032.4 Ų32.40%019%0.186CC..Hα-helixtrans-68.1-31.2179.5-17067.5000112.6M378 A497 I498 G503 G507 T614 F617 V618 W625M378-L501 HydrophobicContact CE-CB 4.03Å; M378-L501 HydrophobicContact CE-CD2 4.31Å; M378-L501 HydrophobicContact CE-CG 4.31Å; A497-L501 WeakPolarHBondContact O-CB 3.33Å; A497-L501 PolarHBondContact O-N 3.24Å; I498-L501 PolarHBondContact O-N 3Å; L501-G503 PolarHBondContact O-N 3.44Å; L501-G503 VanDerWaalsContact O-N 3.14Å; L501-G507 VanDerWaalsContact O-CA 3.32Å; L501-G507 WeakPolarHBondContact O-CA 3.37Å; L501-G507 PolarHBondContact O-N 3.11Å; L501-T614 HydrophobicContact CD2-CG2 4.24Å; L501-T614 HydrophobicContact CG-CG2 4.06Å; L501-F617 HydrophobicContact CD1-CD1 4.38Å; L501-F617 HydrophobicContact CD1-CD2 4.06Å; L501-F617 HydrophobicContact CD1-CE1 4.16Å; L501-F617 HydrophobicContact CD1-CE2 3.82Å; L501-F617 HydrophobicContact CD1-CG 4.36Å; L501-F617 HydrophobicContact CD1-CZ 3.89Å; L501-F617 HydrophobicContact CD2-CB 4.15Å; L501-F617 HydrophobicContact CD2-CD2 3.67Å; L501-F617 HydrophobicContact CD2-CE2 4.19Å; L501-F617 HydrophobicContact CD2-CG 3.97Å; L501-V618 HydrophobicContact CD2-CG2 3.75Å; L501-W625 HydrophobicContact CB-CH2 4.12Å; L501-W625 HydrophobicContact CB-CZ2 4.02Å; L501-W625 HydrophobicContact CD2-CH2 3.58Å; L501-W625 HydrophobicContact CD2-CZ2 3.76Å; L501-W625 HydrophobicContact CG-CH2 4.42Å; L501-W625 HydrophobicContact CG-CZ2 4.31Å
502R92.5Very high91.1Very high99 Ų9933.5 Ų33.537%0.37419%0.194SC..THydrogen-bonded Turntrans-59.1-23.9178.1-174.1-177.7179.4-73.7-1.3113.6H376 M378 N379 I498 A500H376-R502 PolarHBondContact CD2-NH2 2.85Å; H376-R502 VanDerWaalsContact CD2-NH2 3.28Å; M378-R502 HydrophobicContact CB-CB 4.02Å; M378-R502 HydrophobicContact CB-CG 3.7Å; M378-R502 HydrophobicContact CE-CB 4.04Å; M378-R502 HydrophobicContact CG-CB 4.27Å; M378-R502 HydrophobicContact CG-CG 4.14Å; N379-R502 PolarHBondContact OD1-NE 2.83Å; I498-R502 PolarHBondContact O-N 2.92Å; I498-R502 VanDerWaalsContact O-N 3.08Å; A500-R502 VanDerWaalsContact C-N 3.33Å; A500-R502 PolarHBondContact O-N 2.82Å
503G85.2Confident90.7Very high26 Ų2631.4 Ų31.427%0.26818%0.179SC..SBendtrans-61.8139.3-177.900000112.4A500 L501 K505 H506A500-G503 PolarHBondContact O-N 3.09Å; L501-G503 PolarHBondContact O-N 3.44Å; L501-G503 VanDerWaalsContact O-N 3.14Å; G503-K505 PolarHBondContact O-N 3.23Å; G503-K505 VanDerWaalsContact O-N 3.12Å; G503-H506 PolarHBondContact O-N 2.62Å
504P78.2Confident90.4Very high85 Ų8531.4 Ų31.455%0.55218%0.179SC*.THydrogen-bonded Turntrans-67.1-15.5-177.827.2-36000113.8H506P504-H506 VanDerWaalsContact C-N 3.27Å
505K78.8Confident90.1Very high214 Ų21436 Ų3693%0.9320%0.201SC*.THydrogen-bonded Turntrans-86.34.4172.9-64.1-176.5179.2178.50113.2G503G503-K505 PolarHBondContact O-N 3.23Å; G503-K505 VanDerWaalsContact O-N 3.12Å
506H85.7Confident89.8Confident37 Ų3734.8 Ų34.817%0.17119%0.194CC..THydrogen-bonded Turntrans-130.7-105.6179.5-164.215.8000110N474 S476 G503 P504N474-H506 PolarHBondContact OD1-NE2 3.44Å; S476-H506 WeakPolarHBondContact CB-NE2 3.32Å; S476-H506 PolarHBondContact N-NE2 3.24Å; S476-H506 PolarHBondContact OG-NE2 3.44Å; G503-H506 PolarHBondContact O-N 2.62Å; P504-H506 VanDerWaalsContact C-N 3.27Å
507G79.6Confident89.6Confident0 Ų034 Ų340%019%0.186CC..THydrogen-bonded Turntrans-73.3-28.9-17300000115L501 A509 N510L501-G507 VanDerWaalsContact O-CA 3.32Å; L501-G507 WeakPolarHBondContact O-CA 3.37Å; L501-G507 PolarHBondContact O-N 3.11Å; G507-A509 PolarHBondContact O-N 3.21Å; G507-N510 PolarHBondContact O-OD1 2.54Å; G507-N510 VanDerWaalsContact O-OD1 3.06Å
508G80.7Confident89.3Confident7 Ų738.7 Ų38.77%0.07221%0.208CC..THydrogen-bonded Turntrans-68.92.8-178.800000115.1N510 E511 V512G508-N510 VanDerWaalsContact C-N 3.29Å; G508-N510 PolarHBondContact O-N 3Å; G508-E511 PolarHBondContact O-N 3.42Å; G508-V512 WeakPolarHBondContact O-CG2 3.44Å; G508-V512 PolarHBondContact O-N 3.41Å
509A85.5Confident89.1Confident8 Ų844.5 Ų44.57%0.06623%0.23CC..Hα-helixtrans-66.2-29.6-179.800000113.1G507 S513 I541 D596G507-A509 PolarHBondContact O-N 3.21Å; A509-S513 WeakPolarHBondContact O-CB 3.21Å; A509-S513 PolarHBondContact O-N 2.81Å; A509-S513 PolarHBondContact O-OG 2.97Å; A509-I541 HydrophobicContact CB-CG2 3.63Å; A509-D596 HydrophobicContact CB-CB 4.17Å
510N85.9Confident89Confident0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-71.1-39.1176.954.412.3000112.1G507 G508 S513 L514 D596 A600 F613G507-N510 PolarHBondContact O-OD1 2.54Å; G507-N510 VanDerWaalsContact O-OD1 3.06Å; G508-N510 VanDerWaalsContact C-N 3.29Å; G508-N510 PolarHBondContact O-N 3Å; N510-S513 WeakPolarHBondContact O-CB 3.46Å; N510-S513 PolarHBondContact O-N 2.94Å; N510-L514 PolarHBondContact O-N 2.93Å; N510-L514 VanDerWaalsContact O-N 3.12Å; N510-D596 HydrophobicContact CB-CB 3.87Å; N510-A600 WeakPolarHBondContact O-CB 3.38Å; N510-F613 HydrophobicContact CB-CB 4.4Å; N510-F613 HydrophobicContact CB-CD2 4.39Å; N510-F613 PolarHBondContact ND2-O 2.93Å
511E90.2Very high88.9Confident30 Ų3047.6 Ų47.614%0.1423%0.229CC..Hα-helixtrans-61.5-48.6173.4-61.3-177-157.800110.9G508 S513 L514 E515 T610 F613 T614G508-E511 PolarHBondContact O-N 3.42Å; E511-S513 VanDerWaalsContact C-N 3.3Å; E511-S513 PolarHBondContact O-N 2.92Å; E511-L514 WeakPolarHBondContact O-CB 3.42Å; E511-L514 PolarHBondContact O-N 3.46Å; E511-E515 PolarHBondContact O-N 2.98Å; E511-T610 HydrophobicContact CB-CG2 4.13Å; E511-T610 HydrophobicContact CG-CG2 4.39Å; E511-T610 WeakPolarHBondContact CG-O 3.23Å; E511-F613 HydrophobicContact CG-CB 3.88Å; E511-F613 HydrophobicContact CG-CG 4.49Å; E511-T614 VanDerWaalsContact OE1-CB 3.25Å; E511-T614 WeakPolarHBondContact OE1-CB 3.39Å; E511-T614 PolarHBondContact OE1-N 2.82Å; E511-T614 PolarHBondContact OE1-OG1 2.86Å
512V89.3Confident88.9Confident32 Ų3250.8 Ų50.819%0.19425%0.249CC..Hα-helixtrans-66.1-34.1178.1-179.70000111.7G508 L514 E515 I516 I541G508-V512 WeakPolarHBondContact O-CG2 3.44Å; G508-V512 PolarHBondContact O-N 3.41Å; V512-L514 VanDerWaalsContact C-N 3.32Å; V512-L514 PolarHBondContact O-N 3.33Å; V512-E515 PolarHBondContact O-N 3.03Å; V512-I516 HydrophobicContact CG1-CD1 3.97Å; V512-I516 HydrophobicContact CG1-CG1 4.33Å; V512-I516 VanDerWaalsContact O-CG1 3.3Å; V512-I516 WeakPolarHBondContact O-CG1 3.44Å; V512-I516 PolarHBondContact O-N 2.99Å; V512-I541 HydrophobicContact CB-CB 4.35Å; V512-I541 HydrophobicContact CB-CD1 4.37Å; V512-I541 HydrophobicContact CB-CG2 3.99Å; V512-I541 HydrophobicContact CG1-CB 3.87Å; V512-I541 HydrophobicContact CG1-CD1 3.79Å; V512-I541 HydrophobicContact CG1-CG1 4.37Å; V512-I541 HydrophobicContact CG1-CG2 4.07Å; V512-I541 HydrophobicContact CG2-CD1 4.4Å
513S91.7Very high89.1Confident0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-60.1-44.4174.6-63.20000110.9A509 N510 E511 I516 Q517A509-S513 WeakPolarHBondContact O-CB 3.21Å; A509-S513 PolarHBondContact O-N 2.81Å; A509-S513 PolarHBondContact O-OG 2.97Å; N510-S513 WeakPolarHBondContact O-CB 3.46Å; N510-S513 PolarHBondContact O-N 2.94Å; E511-S513 VanDerWaalsContact C-N 3.3Å; E511-S513 PolarHBondContact O-N 2.92Å; S513-I516 PolarHBondContact O-N 3.22Å; S513-Q517 WeakPolarHBondContact O-CB 3.28Å; S513-Q517 VanDerWaalsContact O-CD 3.31Å; S513-Q517 WeakPolarHBondContact O-CG 3.29Å; S513-Q517 PolarHBondContact O-N 3.38Å; S513-Q517 PolarHBondContact O-NE2 3.49Å
514L92.6Very high89.7Confident0 Ų051.3 Ų51.30%026%0.255CS..Hα-helixtrans-62.6-46.6174.9-159.582.1000111.7N510 E511 V512 I516 Q517 Q518 M574 A600 N604 T610 F613N510-L514 PolarHBondContact O-N 2.93Å; N510-L514 VanDerWaalsContact O-N 3.12Å; E511-L514 WeakPolarHBondContact O-CB 3.42Å; E511-L514 PolarHBondContact O-N 3.46Å; V512-L514 VanDerWaalsContact C-N 3.32Å; V512-L514 PolarHBondContact O-N 3.33Å; L514-I516 VanDerWaalsContact C-N 3.25Å; L514-I516 PolarHBondContact O-N 3.07Å; L514-Q517 PolarHBondContact O-N 3.28Å; L514-Q517 VanDerWaalsContact O-N 3.12Å; L514-Q518 HydrophobicContact CG-CG 4.18Å; L514-Q518 WeakPolarHBondContact O-CB 3.43Å; L514-Q518 WeakPolarHBondContact O-CG 3.46Å; L514-Q518 PolarHBondContact O-N 3.33Å; L514-M574 HydrophobicContact CD1-CE 3.12Å; L514-M574 HydrophobicContact CD1-SD 4.02Å; L514-M574 HydrophobicContact CG-CE 3.83Å; L514-A600 HydrophobicContact CB-CB 4.02Å; L514-A600 HydrophobicContact CD1-CB 3.91Å; L514-A600 VanDerWaalsContact CD1-O 3.28Å; L514-A600 WeakPolarHBondContact CD1-O 3.49Å; L514-N604 HydrophobicContact CD1-CB 3.65Å; L514-T610 HydrophobicContact CB-CG2 4.25Å; L514-T610 HydrophobicContact CD2-CG2 3.7Å; L514-T610 WeakPolarHBondContact CD2-OG1 3.43Å; L514-F613 HydrophobicContact CB-CE2 3.9Å; L514-F613 HydrophobicContact CD1-CE2 3.89Å; L514-F613 HydrophobicContact CD1-CZ 4.12Å; L514-F613 HydrophobicContact CD2-CE2 3.76Å; L514-F613 HydrophobicContact CD2-CZ 3.75Å; L514-F613 HydrophobicContact CG-CE2 4.07Å; L514-F613 HydrophobicContact CG-CZ 4.42Å
515E92.1Very high90.6Very high98 Ų9851.7 Ų51.746%0.45825%0.249SC..Hα-helixtrans-58.6-38.3179.4-165.4-156.8139.700111.7E511 V512 R519E511-E515 PolarHBondContact O-N 2.98Å; V512-E515 PolarHBondContact O-N 3.03Å; E515-R519 VanDerWaalsContact O-CG 3.31Å; E515-R519 WeakPolarHBondContact O-CG 3.42Å; E515-R519 PolarHBondContact O-NE 3.4Å; E515-R519 IonicContact OE1-CZ 3.4Å; E515-R519 IonicContact OE1-NE 3.25Å; E515-R519 IonicContact OE1-NH2 2.67Å; E515-R519 PolarHBondContact OE1-NH2 3.17Å
516I91.8Very high91.4Very high10 Ų1041.5 Ų41.55%0.05121%0.205CC..Hα-helixtrans-67.1-51174.1-67.9165.5000110V512 S513 L514 Q518 R519 Y520 I530 V540 L581 W597V512-I516 HydrophobicContact CG1-CD1 3.97Å; V512-I516 HydrophobicContact CG1-CG1 4.33Å; V512-I516 VanDerWaalsContact O-CG1 3.3Å; V512-I516 WeakPolarHBondContact O-CG1 3.44Å; V512-I516 PolarHBondContact O-N 2.99Å; S513-I516 PolarHBondContact O-N 3.22Å; L514-I516 VanDerWaalsContact C-N 3.25Å; L514-I516 PolarHBondContact O-N 3.07Å; I516-Q518 VanDerWaalsContact C-N 3.31Å; I516-Q518 PolarHBondContact O-N 2.76Å; I516-R519 WeakPolarHBondContact O-CB 3.34Å; I516-R519 PolarHBondContact O-N 2.61Å; I516-Y520 HydrophobicContact CG2-CE2 4.14Å; I516-Y520 WeakPolarHBondContact O-CD2 3.44Å; I516-Y520 WeakPolarHBondContact O-CE2 3.14Å; I516-I530 HydrophobicContact CG2-CD1 4.1Å; I516-V540 HydrophobicContact CD1-CG1 4.36Å; I516-L581 HydrophobicContact CG2-CD1 4.46Å; I516-W597 HydrophobicContact CB-CH2 4.38Å; I516-W597 HydrophobicContact CD1-CZ3 4.46Å; I516-W597 HydrophobicContact CG2-CH2 3.94Å
517Q93.5Very high91.9Very high1 Ų141.8 Ų41.81%0.00521%0.206CC..Hα-helixtrans-64.5-33.3-174-68.6163.322.200113S513 L514 R519 M574 A578 W597 V601S513-Q517 WeakPolarHBondContact O-CB 3.28Å; S513-Q517 VanDerWaalsContact O-CD 3.31Å; S513-Q517 WeakPolarHBondContact O-CG 3.29Å; S513-Q517 PolarHBondContact O-N 3.38Å; S513-Q517 PolarHBondContact O-NE2 3.49Å; L514-Q517 PolarHBondContact O-N 3.28Å; L514-Q517 VanDerWaalsContact O-N 3.12Å; Q517-R519 VanDerWaalsContact C-N 3.27Å; Q517-R519 PolarHBondContact O-N 3.24Å; Q517-M574 HydrophobicContact CB-CE 3.59Å; Q517-A578 HydrophobicContact CG-CB 4.36Å; Q517-W597 HydrophobicContact CG-CH2 3.93Å; Q517-W597 HydrophobicContact CG-CZ2 3.83Å; Q517-W597 VanDerWaalsContact NE2-CD2 3.3Å; Q517-W597 VanDerWaalsContact NE2-CE2 3.34Å; Q517-W597 PolarHBondContact NE2-O 3.31Å; Q517-V601 VanDerWaalsContact OE1-CG2 3.22Å
518Q93.8Very high92.7Very high100 Ų10044.8 Ų44.847%0.46723%0.231SC..THydrogen-bonded Turntrans-76.4-8.2-179.8-73.4-179.6-2400114.2L514 I516 Y520 M574L514-Q518 HydrophobicContact CG-CG 4.18Å; L514-Q518 WeakPolarHBondContact O-CB 3.43Å; L514-Q518 WeakPolarHBondContact O-CG 3.46Å; L514-Q518 PolarHBondContact O-N 3.33Å; I516-Q518 VanDerWaalsContact C-N 3.31Å; I516-Q518 PolarHBondContact O-N 2.76Å; Q518-Y520 PolarHBondContact O-N 3.16Å; Q518-M574 HydrophobicContact CG-CE 3.83Å
519R94.2Very high93.4Very high122 Ų12246.8 Ų46.846%0.4624%0.24SC..THydrogen-bonded Turntrans-72.3-10.8178.5-73.6167.5-175.4-138.9-0.7114E515 I516 Q517E515-R519 VanDerWaalsContact O-CG 3.31Å; E515-R519 WeakPolarHBondContact O-CG 3.42Å; E515-R519 PolarHBondContact O-NE 3.4Å; E515-R519 IonicContact OE1-CZ 3.4Å; E515-R519 IonicContact OE1-NE 3.25Å; E515-R519 IonicContact OE1-NH2 2.67Å; E515-R519 PolarHBondContact OE1-NH2 3.17Å; I516-R519 WeakPolarHBondContact O-CB 3.34Å; I516-R519 PolarHBondContact O-N 2.61Å; Q517-R519 VanDerWaalsContact C-N 3.27Å; Q517-R519 PolarHBondContact O-N 3.24Å
520Y95.4Very high93.9Very high6 Ų646.5 Ų46.52%0.02424%0.237CC..  trans-121.8140-167.4-45.4-64.9000111.6I516 Q518 E525 A526 D529 R533 I577 L581I516-Y520 HydrophobicContact CG2-CE2 4.14Å; I516-Y520 WeakPolarHBondContact O-CD2 3.44Å; I516-Y520 WeakPolarHBondContact O-CE2 3.14Å; Q518-Y520 PolarHBondContact O-N 3.16Å; Y520-E525 HydrophobicContact CD1-CG 4.16Å; Y520-A526 HydrophobicContact CD1-CB 4.11Å; Y520-A526 HydrophobicContact CD2-CB 3.38Å; Y520-A526 HydrophobicContact CE2-CB 3.91Å; Y520-A526 HydrophobicContact CG-CB 3.47Å; Y520-A526 VanDerWaalsContact CG-CB 3.47Å; Y520-D529 HydrophobicContact CE1-CB 3.57Å; Y520-D529 WeakPolarHBondContact CE1-OD2 3.42Å; Y520-D529 PolarHBondContact OH-OD2 3.49Å; Y520-R533 PolarHBondContact OH-NH2 3.13Å; Y520-I577 HydrophobicContact CD2-CG2 4.02Å; Y520-I577 VanDerWaalsContact O-CD1 3.24Å; Y520-I577 WeakPolarHBondContact O-CD1 3.15Å; Y520-L581 HydrophobicContact CD2-CD1 4.45Å; Y520-L581 HydrophobicContact CE2-CD1 4.04Å
521E94.7Very high94.3Very high125 Ų12549.9 Ų49.958%0.58425%0.25SS*.SBendtrans-87.1-27.1173.8-73.2-60.6114.900111.9E525 K573E521-E525 PolarHBondContact N-OE2 2.95Å; E521-K573 VanDerWaalsContact O-CE 3.26Å; E521-K573 WeakPolarHBondContact O-CE 3.28Å; E521-K573 IonicContact OE1-NZ 2.77Å; E521-K573 PolarHBondContact OE1-NZ 2.81Å; E521-K573 IonicContact OE2-NZ 2.63Å; E521-K573 PolarHBondContact OE2-NZ 3.12Å
522T96.3Very high94.6Very high66 Ų6654.6 Ų54.641%0.40527%0.27SS..SBendtrans-137.8155.5-17767.80000112.3D524 E525 A526T522-D524 PolarHBondContact O-N 2.93Å; T522-E525 PolarHBondContact O-N 3.15Å; T522-E525 PolarHBondContact OG1-N 3.4Å; T522-A526 PolarHBondContact O-N 3.35Å
523P96.6Very high94.8Very high33 Ų3354.8 Ų54.821%0.21427%0.268CS..Hα-helixtrans-58.7-32.8174-26.235.7000114.1A526 E527 N576 I577 R580P523-A526 PolarHBondContact O-N 2.97Å; P523-E527 PolarHBondContact O-N 3.28Å; P523-N576 HydrophobicContact CG-CB 4.05Å; P523-I577 HydrophobicContact CG-CG1 4.29Å; P523-R580 HydrophobicContact CB-CB 3.77Å; P523-R580 HydrophobicContact CB-CG 3.97Å
524D96.8Very high94.8Very high103 Ų10355.3 Ų55.355%0.55127%0.271SS*.Hα-helixtrans-72.9-38.1-178.1-62.3-29.6000111.8T522 E527 A528 R580T522-D524 PolarHBondContact O-N 2.93Å; D524-E527 PolarHBondContact O-N 2.62Å; D524-A528 PolarHBondContact O-N 3.06Å; D524-A528 VanDerWaalsContact O-N 3.11Å; D524-R580 IonicContact OD1-CZ 3.31Å; D524-R580 VanDerWaalsContact OD1-CZ 3.31Å; D524-R580 IonicContact OD1-NH1 2.8Å; D524-R580 PolarHBondContact OD1-NH1 3.45Å; D524-R580 IonicContact OD1-NH2 2.94Å; D524-R580 PolarHBondContact OD1-NH2 2.82Å
525E96.8Very high94.9Very high93 Ų9362.4 Ų62.444%0.43530%0.304SS..Hα-helixtrans-62.4-44.3171.3-175.9-174.4-168.100111.2Y520 E521 T522 E527 A528 D529Y520-E525 HydrophobicContact CD1-CG 4.16Å; E521-E525 PolarHBondContact N-OE2 2.95Å; T522-E525 PolarHBondContact O-N 3.15Å; T522-E525 PolarHBondContact OG1-N 3.4Å; E525-E527 PolarHBondContact O-N 3.35Å; E525-A528 PolarHBondContact O-N 3.18Å; E525-D529 PolarHBondContact O-N 3.06Å; E525-D529 VanDerWaalsContact O-N 3.12Å
526A96Very high95.1Very high0 Ų062.3 Ų62.30%031%0.307CS..Hα-helixtrans-59.6-46.7177.900000111.8Y520 T522 P523 D529 I530 I577 L581Y520-A526 HydrophobicContact CD1-CB 4.11Å; Y520-A526 HydrophobicContact CD2-CB 3.38Å; Y520-A526 HydrophobicContact CE2-CB 3.91Å; Y520-A526 HydrophobicContact CG-CB 3.47Å; Y520-A526 VanDerWaalsContact CG-CB 3.47Å; T522-A526 PolarHBondContact O-N 3.35Å; P523-A526 PolarHBondContact O-N 2.97Å; A526-D529 PolarHBondContact O-N 3.34Å; A526-I530 WeakPolarHBondContact O-CB 3.3Å; A526-I530 WeakPolarHBondContact O-CG1 3.36Å; A526-I530 PolarHBondContact O-N 3.07Å; A526-I577 HydrophobicContact CB-CG2 3.88Å; A526-L581 HydrophobicContact CB-CD1 4.21Å; A526-L581 HydrophobicContact CB-CD2 3.73Å; A526-L581 HydrophobicContact CB-CG 4.02Å; A526-L581 WeakPolarHBondContact O-CD2 3.11Å
527E97.1Very high95Very high43 Ų4370.5 Ų70.520%0.20134%0.342CS..Hα-helixtrans-58.9-47.6176.8169.8164.4-177.500112P523 D524 E525 D529 I530 R531 R580 V584P523-E527 PolarHBondContact O-N 3.28Å; D524-E527 PolarHBondContact O-N 2.62Å; E525-E527 PolarHBondContact O-N 3.35Å; E527-D529 PolarHBondContact O-N 2.95Å; E527-I530 PolarHBondContact O-N 2.86Å; E527-R531 HydrophobicContact CG-CG 4.37Å; E527-R531 WeakPolarHBondContact O-CB 3.28Å; E527-R531 WeakPolarHBondContact O-CG 3.38Å; E527-R531 PolarHBondContact O-N 2.98Å; E527-R531 IonicContact OE1-CZ 3.97Å; E527-R531 VanDerWaalsContact OE1-CZ 3.25Å; E527-R531 IonicContact OE1-NE 2.79Å; E527-R531 PolarHBondContact OE1-NE 3.16Å; E527-R531 IonicContact OE1-NH2 3.81Å; E527-R531 PolarHBondContact OE1-NH2 2.99Å; E527-R580 HydrophobicContact CB-CG 4.21Å; E527-R580 WeakPolarHBondContact OE2-CD 3.42Å; E527-R580 IonicContact OE2-CZ 3.7Å; E527-R580 IonicContact OE2-NE 3.95Å; E527-R580 IonicContact OE2-NH1 2.72Å; E527-R580 PolarHBondContact OE2-NH1 2.68Å; E527-V584 HydrophobicContact CB-CG2 3.81Å; E527-V584 HydrophobicContact CG-CG1 4.47Å; E527-V584 HydrophobicContact CG-CG2 3.49Å; E527-V584 VanDerWaalsContact CG-CG2 3.49Å
528A96.4Very high94.9Very high64 Ų6475 Ų7553%0.52936%0.363SS..Hα-helixtrans-60.1-44.7-178.800000112D524 E525 K532D524-A528 PolarHBondContact O-N 3.06Å; D524-A528 VanDerWaalsContact O-N 3.11Å; E525-A528 PolarHBondContact O-N 3.18Å; A528-K532 PolarHBondContact O-N 3.31Å
529D95.9Very high94.6Very high49 Ų4976.5 Ų76.526%0.26238%0.378SS..Hα-helixtrans-68.5-46.1178.6-176.154.8000112.2Y520 E525 A526 E527 R531 K532 R533Y520-D529 HydrophobicContact CE1-CB 3.57Å; Y520-D529 WeakPolarHBondContact CE1-OD2 3.42Å; Y520-D529 PolarHBondContact OH-OD2 3.49Å; E525-D529 PolarHBondContact O-N 3.06Å; E525-D529 VanDerWaalsContact O-N 3.12Å; A526-D529 PolarHBondContact O-N 3.34Å; E527-D529 PolarHBondContact O-N 2.95Å; D529-R531 PolarHBondContact O-N 3.35Å; D529-K532 WeakPolarHBondContact O-CB 3.2Å; D529-K532 PolarHBondContact O-N 3.02Å; D529-K532 VanDerWaalsContact O-N 3.14Å; D529-R533 WeakPolarHBondContact O-CG 3.44Å; D529-R533 PolarHBondContact O-N 3.1Å; D529-R533 IonicContact OD1-NE 3.11Å; D529-R533 IonicContact OD2-CZ 3.44Å; D529-R533 IonicContact OD2-NE 2.74Å; D529-R533 PolarHBondContact OD2-NE 3.03Å; D529-R533 IonicContact OD2-NH2 2.72Å; D529-R533 PolarHBondContact OD2-NH2 3.44Å
530I94.4Very high94.4Very high1 Ų171.2 Ų71.21%0.00536%0.36CS..Hα-helixtrans-64.9-39.3-179.1-69.8-56000111.6I516 A526 E527 K532 R533 V534 V540 L581 V584 M585I516-I530 HydrophobicContact CG2-CD1 4.1Å; A526-I530 WeakPolarHBondContact O-CB 3.3Å; A526-I530 WeakPolarHBondContact O-CG1 3.36Å; A526-I530 PolarHBondContact O-N 3.07Å; E527-I530 PolarHBondContact O-N 2.86Å; I530-K532 VanDerWaalsContact C-N 3.3Å; I530-K532 PolarHBondContact O-N 3.03Å; I530-R533 PolarHBondContact O-N 3.21Å; I530-V534 HydrophobicContact CG2-CG2 4.14Å; I530-V534 WeakPolarHBondContact O-CB 3.46Å; I530-V534 WeakPolarHBondContact O-CG2 3.4Å; I530-V534 PolarHBondContact O-N 2.96Å; I530-V540 HydrophobicContact CD1-CG1 4.28Å; I530-V540 HydrophobicContact CD1-CG2 4.32Å; I530-V540 HydrophobicContact CG2-CG2 4.34Å; I530-L581 HydrophobicContact CB-CD2 3.78Å; I530-L581 HydrophobicContact CG1-CD1 3.98Å; I530-L581 HydrophobicContact CG1-CD2 3.38Å; I530-L581 HydrophobicContact CG1-CG 4.26Å; I530-L581 HydrophobicContact CG2-CD2 4.32Å; I530-V584 HydrophobicContact CG2-CG1 4.12Å; I530-M585 HydrophobicContact CG2-CG 4.4Å; I530-M585 HydrophobicContact CG2-SD 3.88Å
531R95.4Very high94Very high72 Ų7273.5 Ų73.527%0.27237%0.372SS..Hα-helixtrans-58-43.8173.1-73.8-173.4-174.6-772.4111.3E527 D529 V534 E535 V584 E587 S588E527-R531 HydrophobicContact CG-CG 4.37Å; E527-R531 WeakPolarHBondContact O-CB 3.28Å; E527-R531 WeakPolarHBondContact O-CG 3.38Å; E527-R531 PolarHBondContact O-N 2.98Å; E527-R531 IonicContact OE1-CZ 3.97Å; E527-R531 VanDerWaalsContact OE1-CZ 3.25Å; E527-R531 IonicContact OE1-NE 2.79Å; E527-R531 PolarHBondContact OE1-NE 3.16Å; E527-R531 IonicContact OE1-NH2 3.81Å; E527-R531 PolarHBondContact OE1-NH2 2.99Å; D529-R531 PolarHBondContact O-N 3.35Å; R531-V534 PolarHBondContact O-N 3.48Å; R531-E535 WeakPolarHBondContact O-CG 3.44Å; R531-E535 PolarHBondContact O-N 3.09Å; R531-V584 HydrophobicContact CG-CG1 3.7Å; R531-E587 IonicContact CZ-OE2 2.64Å; R531-E587 IonicContact NH1-OE2 3.38Å; R531-E587 IonicContact NH2-OE2 3.2Å; R531-E587 PolarHBondContact NH2-OE2 3.17Å; R531-S588 PolarHBondContact NH1-OG 3.24Å
532K95.4Very high93.8Very high128 Ų12867.7 Ų67.756%0.55735%0.345SS*.Hα-helixtrans-63-44.6176.7-174-179.7179.7-178.10112.9A528 D529 I530 V534 E535 N536A528-K532 PolarHBondContact O-N 3.31Å; D529-K532 WeakPolarHBondContact O-CB 3.2Å; D529-K532 PolarHBondContact O-N 3.02Å; D529-K532 VanDerWaalsContact O-N 3.14Å; I530-K532 VanDerWaalsContact C-N 3.3Å; I530-K532 PolarHBondContact O-N 3.03Å; K532-V534 VanDerWaalsContact C-N 3.3Å; K532-V534 PolarHBondContact O-N 3.4Å; K532-E535 WeakPolarHBondContact O-CB 3.44Å; K532-E535 PolarHBondContact O-N 2.88Å; K532-N536 VanDerWaalsContact O-CG 3.31Å; K532-N536 PolarHBondContact O-N 3.08Å; K532-N536 PolarHBondContact O-ND2 3.38Å
533R93.9Very high93.6Very high37 Ų3765.5 Ų65.514%0.1433%0.33CS..Hα-helixtrans-61.2-41.7175.9-69-169.3-161.6-164.613.5111.8Y520 D529 I530 N536 K537 E538Y520-R533 PolarHBondContact OH-NH2 3.13Å; D529-R533 WeakPolarHBondContact O-CG 3.44Å; D529-R533 PolarHBondContact O-N 3.1Å; D529-R533 IonicContact OD1-NE 3.11Å; D529-R533 IonicContact OD2-CZ 3.44Å; D529-R533 IonicContact OD2-NE 2.74Å; D529-R533 PolarHBondContact OD2-NE 3.03Å; D529-R533 IonicContact OD2-NH2 2.72Å; D529-R533 PolarHBondContact OD2-NH2 3.44Å; I530-R533 PolarHBondContact O-N 3.21Å; R533-N536 CarbonylContact O-C 3.5Å; R533-N536 PolarHBondContact O-N 3.14Å; R533-K537 PolarHBondContact O-N 3.22Å; R533-E538 HydrophobicContact CB-CB 4.09Å; R533-E538 WeakPolarHBondContact O-CB 3.3Å; R533-E538 PolarHBondContact O-N 3.06Å
534V92.9Very high93.2Very high11 Ų1164.8 Ų64.87%0.06733%0.329CS..Hα-helixtrans-64.1-40177.6170.40000111.6I530 R531 K532 K537 V540 M585 K589I530-V534 HydrophobicContact CG2-CG2 4.14Å; I530-V534 WeakPolarHBondContact O-CB 3.46Å; I530-V534 WeakPolarHBondContact O-CG2 3.4Å; I530-V534 PolarHBondContact O-N 2.96Å; R531-V534 PolarHBondContact O-N 3.48Å; K532-V534 VanDerWaalsContact C-N 3.3Å; K532-V534 PolarHBondContact O-N 3.4Å; V534-K537 PolarHBondContact O-N 2.87Å; V534-V540 HydrophobicContact CG2-CG2 4.14Å; V534-M585 HydrophobicContact CG2-SD 3.77Å; V534-K589 HydrophobicContact CG1-CD 4.08Å; V534-K589 HydrophobicContact CG1-CG 3.64Å
535E94.2Very high92.6Very high149 Ų14961.2 Ų61.270%0.69631%0.309SS*.Hα-helixtrans-62.7-40.4172.1-74.5171.6-176.900111.9R531 K532 K537R531-E535 WeakPolarHBondContact O-CG 3.44Å; R531-E535 PolarHBondContact O-N 3.09Å; K532-E535 WeakPolarHBondContact O-CB 3.44Å; K532-E535 PolarHBondContact O-N 2.88Å; E535-K537 PolarHBondContact O-N 3.3Å; E535-K537 VanDerWaalsContact O-N 3.15Å
536N95.1Very high91.9Very high96 Ų9660.3 Ų60.351%0.51331%0.311SS..THydrogen-bonded Turntrans-72.31.3174.9-69.1-17.8000114.2K532 R533 E538K532-N536 VanDerWaalsContact O-CG 3.31Å; K532-N536 PolarHBondContact O-N 3.08Å; K532-N536 PolarHBondContact O-ND2 3.38Å; R533-N536 CarbonylContact O-C 3.5Å; R533-N536 PolarHBondContact O-N 3.14Å; N536-E538 HydrophobicContact CB-CG 4.12Å; N536-E538 PolarHBondContact ND2-OE1 3.35Å; N536-E538 PolarHBondContact O-N 3.17Å
537K90.4Very high91.2Very high182 Ų18262.5 Ų62.579%0.79132%0.324SS*.THydrogen-bonded Turntrans62.625.1-177.2-49.7176.4-178.3174.40113.7R533 V534 E535R533-K537 PolarHBondContact O-N 3.22Å; V534-K537 PolarHBondContact O-N 2.87Å; E535-K537 PolarHBondContact O-N 3.3Å; E535-K537 VanDerWaalsContact O-N 3.15Å
538E90.7Very high90.7Very high96 Ų9660.5 Ų60.545%0.44932%0.315SS..  trans-72.7147.5171-62.4173.8-136.300110.3R533 N536R533-E538 HydrophobicContact CB-CB 4.09Å; R533-E538 WeakPolarHBondContact O-CB 3.3Å; R533-E538 PolarHBondContact O-N 3.06Å; N536-E538 HydrophobicContact CB-CG 4.12Å; N536-E538 PolarHBondContact ND2-OE1 3.35Å; N536-E538 PolarHBondContact O-N 3.17Å
539V87.2Confident90.1Very high131 Ų13160.9 Ų60.979%0.79431%0.311SS*.  trans-88.5122.5178.6176.90000109.2I541V539-I541 PolarHBondContact O-N 2.93Å
540V90.2Very high89.6Confident11 Ų1162.9 Ų62.97%0.06732%0.321CS..  trans-88.8105.6172.2-171.30000108.4I516 I530 V534 F543 M585I516-V540 HydrophobicContact CD1-CG1 4.36Å; I530-V540 HydrophobicContact CD1-CG1 4.28Å; I530-V540 HydrophobicContact CD1-CG2 4.32Å; I530-V540 HydrophobicContact CG2-CG2 4.34Å; V534-V540 HydrophobicContact CG2-CG2 4.14Å; V540-F543 HydrophobicContact CB-CD2 4.32Å; V540-F543 HydrophobicContact CG1-CD2 3.75Å; V540-F543 HydrophobicContact CG1-CE2 4.06Å; V540-M585 HydrophobicContact CB-CE 3.94Å; V540-M585 HydrophobicContact CB-SD 4.07Å; V540-M585 HydrophobicContact CG1-SD 4.4Å; V540-M585 HydrophobicContact CG2-CE 4.13Å; V540-M585 HydrophobicContact CG2-SD 3.84Å
541I88.8Confident89.4Confident54 Ų5464.5 Ų64.528%0.27733%0.334SS..THydrogen-bonded Turntrans-66.8145178.6-69.6167.8000109.7A509 V512 V539 W597A509-I541 HydrophobicContact CB-CG2 3.63Å; V512-I541 HydrophobicContact CB-CB 4.35Å; V512-I541 HydrophobicContact CB-CD1 4.37Å; V512-I541 HydrophobicContact CB-CG2 3.99Å; V512-I541 HydrophobicContact CG1-CB 3.87Å; V512-I541 HydrophobicContact CG1-CD1 3.79Å; V512-I541 HydrophobicContact CG1-CG1 4.37Å; V512-I541 HydrophobicContact CG1-CG2 4.07Å; V512-I541 HydrophobicContact CG2-CD1 4.4Å; V539-I541 PolarHBondContact O-N 2.93Å; I541-W597 VanDerWaalsContact O-CZ3 3.31Å; I541-W597 WeakPolarHBondContact O-CZ3 3.25Å
542G89.5Confident89.4Confident3 Ų361.2 Ų61.23%0.03132%0.322CS..THydrogen-bonded Turntrans95.1-3.3-172.400000114.3P593 N594G542-P593 WeakPolarHBondContact O-CA 3.49Å; G542-N594 PolarHBondContact O-N 2.92Å; G542-N594 PolarHBondContact O-ND2 2.94Å; G542-N594 PolarHBondContact O-OD1 3.48Å
543F91.8Very high89.3Confident19 Ų1955.5 Ų55.58%0.08330%0.298CS..BIsolated β-bridgetrans-118142.4176.7-71.6-88.6000112.9V540 E582 M585 M591 P593 W597V540-F543 HydrophobicContact CB-CD2 4.32Å; V540-F543 HydrophobicContact CG1-CD2 3.75Å; V540-F543 HydrophobicContact CG1-CE2 4.06Å; F543-E582 HydrophobicContact CE1-CB 4.44Å; F543-M585 HydrophobicContact CB-CE 3.93Å; F543-M585 HydrophobicContact CD1-CB 3.54Å; F543-M585 HydrophobicContact CD1-CE 4.45Å; F543-M585 HydrophobicContact CD1-CG 3.77Å; F543-M585 HydrophobicContact CD2-CE 4.34Å; F543-M585 HydrophobicContact CD2-CG 3.89Å; F543-M585 HydrophobicContact CE1-CB 3.49Å; F543-M585 VanDerWaalsContact CE1-CB 3.49Å; F543-M585 HydrophobicContact CE1-CG 3.69Å; F543-M585 HydrophobicContact CE2-CB 4.5Å; F543-M585 HydrophobicContact CE2-CG 3.78Å; F543-M585 HydrophobicContact CG-CB 4.11Å; F543-M585 HydrophobicContact CG-CE 3.98Å; F543-M585 HydrophobicContact CG-CG 3.88Å; F543-M585 HydrophobicContact CZ-CB 3.99Å; F543-M585 HydrophobicContact CZ-CG 3.68Å; F543-M591 HydrophobicContact CB-CB 4.22Å; F543-P593 HydrophobicContact CD1-CB 4.08Å; F543-P593 HydrophobicContact CE1-CB 3.75Å; F543-P593 HydrophobicContact CE1-CG 4.31Å; F543-P593 HydrophobicContact CZ-CB 4.31Å; F543-W597 HydrophobicContact CD2-CD2 4.47Å; F543-W597 HydrophobicContact CD2-CE3 4.27Å; F543-W597 HydrophobicContact CD2-CZ3 4.34Å; F543-W597 AromaticContact CE2-CD2 3.64Å; F543-W597 HydrophobicContact CE2-CD2 3.64Å; F543-W597 AromaticContact CE2-CE2 3.55Å; F543-W597 AromaticContact CE2-CE3 3.75Å; F543-W597 HydrophobicContact CE2-CE3 3.75Å; F543-W597 HydrophobicContact CE2-CG 4.37Å; F543-W597 AromaticContact CE2-CH2 3.74Å; F543-W597 HydrophobicContact CE2-CH2 3.74Å; F543-W597 AromaticContact CE2-CZ2 3.63Å; F543-W597 HydrophobicContact CE2-CZ2 3.63Å; F543-W597 AromaticContact CE2-CZ3 3.79Å; F543-W597 HydrophobicContact CE2-CZ3 3.79Å; F543-W597 AromaticContact CZ-CD2 3.98Å; F543-W597 HydrophobicContact CZ-CD2 3.98Å; F543-W597 AromaticContact CZ-CE2 3.67Å; F543-W597 HydrophobicContact CZ-CG 4.34Å; F543-W597 HydrophobicContact CZ-CZ2 4.01Å; F543-W597 AromaticContact CZ-NE1 3.81Å
544G87.7Confident89.5Confident19 Ų1954.3 Ų54.320%0.19629%0.294CS..  trans76169-175.600000113.1F592 N594G544-F592 PolarHBondContact N-O 2.72Å; G544-N594 PolarHBondContact O-ND2 3.33Å
545H85.7Confident89.6Confident28 Ų2854.7 Ų54.713%0.1330%0.295CS..  trans-149.9146-177.8-165.7-83.1000110.8K288 H471 V547 Y548 F592K288-H545 PolarHBondContact NZ-O 3.46Å; H471-H545 AromaticContact CE1-CE1 3.37Å; H471-H545 PolarHBondContact CE1-CE1 3.39Å; H471-H545 AromaticContact CE1-NE2 3.27Å; H471-H545 PolarHBondContact CE1-NE2 3.05Å; H471-H545 VanDerWaalsContact CE1-NE2 3.27Å; H471-H545 AromaticContact ND1-NE2 3.88Å; H545-V547 PolarHBondContact ND1-N 3.43Å; H545-Y548 HydrophobicContact CB-CD2 4.01Å; H545-Y548 HydrophobicContact CB-CG 4.46Å; H545-Y548 AromaticContact CD2-CD2 3.59Å; H545-Y548 AromaticContact CD2-CE2 3.99Å; H545-Y548 AromaticContact CE1-CD2 3.77Å; H545-Y548 AromaticContact CE1-CE2 3.97Å; H545-Y548 AromaticContact CG-CD2 3.4Å; H545-Y548 AromaticContact ND1-CD2 3.49Å; H545-Y548 WeakPolarHBondContact ND1-CD2 3.35Å; H545-Y548 AromaticContact ND1-CG 3.97Å; H545-Y548 PolarHBondContact ND1-N 3.49Å; H545-Y548 AromaticContact NE2-CD2 3.83Å; H545-Y548 AromaticContact NE2-CE2 3.85Å; H545-F592 HydrophobicContact CB-CE2 3.91Å; H545-F592 HydrophobicContact CB-CZ 4.2Å
546P80.8Confident89.6Confident73 Ų7352.1 Ų52.147%0.47428%0.282SS..SBendtrans-62.6-41.5176.2-26.135.5000113.8K288K288-P546 PolarHBondContact NZ-O 2.96Å
547V82.7Confident89.7Confident46 Ų4647.9 Ų47.928%0.27926%0.26SS..SBendtrans-94.2-60.7-177.4-172.60000113.8V306 H545V306-V547 HydrophobicContact CB-CG1 4.12Å; V306-V547 HydrophobicContact CG1-CB 3.89Å; V306-V547 HydrophobicContact CG1-CG1 3.64Å; V306-V547 HydrophobicContact CG1-CG2 4.42Å; V306-V547 WeakPolarHBondContact O-CG1 2.91Å; H545-V547 PolarHBondContact ND1-N 3.43Å
548Y86.7Confident90Very high2 Ų239.2 Ų39.21%0.00822%0.223CC..  trans-54.4141-179.1-57.9-55.3000113.6V306 D312 H471 H545 D552 P553 F592V306-Y548 HydrophobicContact CG1-CD1 4.28Å; V306-Y548 HydrophobicContact CG1-CE1 3.58Å; V306-Y548 HydrophobicContact CG1-CE2 4.32Å; D312-Y548 WeakPolarHBondContact O-CE1 3.32Å; H471-Y548 AromaticContact CE1-CE2 3.78Å; H471-Y548 AromaticContact CE1-CZ 3.98Å; H471-Y548 AromaticContact NE2-CE2 3.49Å; H471-Y548 WeakPolarHBondContact NE2-CE2 3.37Å; H471-Y548 AromaticContact NE2-CZ 3.45Å; H471-Y548 PolarHBondContact NE2-OH 2.93Å; H545-Y548 HydrophobicContact CB-CD2 4.01Å; H545-Y548 HydrophobicContact CB-CG 4.46Å; H545-Y548 AromaticContact CD2-CD2 3.59Å; H545-Y548 AromaticContact CD2-CE2 3.99Å; H545-Y548 AromaticContact CE1-CD2 3.77Å; H545-Y548 AromaticContact CE1-CE2 3.97Å; H545-Y548 AromaticContact CG-CD2 3.4Å; H545-Y548 AromaticContact ND1-CD2 3.49Å; H545-Y548 WeakPolarHBondContact ND1-CD2 3.35Å; H545-Y548 AromaticContact ND1-CG 3.97Å; H545-Y548 PolarHBondContact ND1-N 3.49Å; H545-Y548 AromaticContact NE2-CD2 3.83Å; H545-Y548 AromaticContact NE2-CE2 3.85Å; Y548-D552 HydrophobicContact CD2-CB 3.93Å; Y548-D552 HydrophobicContact CE2-CB 4.15Å; Y548-P553 HydrophobicContact CE1-CG 4.07Å; Y548-P553 VanDerWaalsContact CZ-CD 3.43Å; Y548-F592 WeakPolarHBondContact O-CZ 3.4Å
549T82.1Confident90.3Very high72 Ų7236.4 Ų36.444%0.44221%0.209SC..SBendtrans-115.9-28.3-177.752.90000112.4H283 G310H283-T549 PolarHBondContact NE2-OG1 3.27Å; G310-T549 WeakPolarHBondContact CA-OG1 3.32Å; G310-T549 PolarHBondContact O-N 2.98Å; G310-T549 VanDerWaalsContact O-N 3.11Å
550I85.7Confident90.9Very high91 Ų9137.7 Ų37.747%0.46720%0.199SC..SBendtrans-103.6-55.8-177.4-61.3170.6000110.7S309 G310 N311 F592S309-I550 WeakPolarHBondContact O-CD1 3.29Å; G310-I550 PolarHBondContact O-N 3.36Å; G310-I550 VanDerWaalsContact O-N 3.12Å; N311-I550 HydrophobicContact CB-CB 4.11Å; N311-I550 HydrophobicContact CB-CG2 4.35Å; I550-F592 WeakPolarHBondContact O-CD1 3.45Å
551A91.1Very high91.2Very high35 Ų3537.7 Ų37.729%0.28920%0.199SC..  trans-162.9159.8178.800000110.4N311N311-A551 WeakPolarHBondContact CA-O 3.46Å
552D94.5Very high91.6Very high3 Ų335.1 Ų35.12%0.01619%0.186CC..  trans-80.7116165.9-171.6-29000109.2Y548 R554 H555 L595Y548-D552 HydrophobicContact CD2-CB 3.93Å; Y548-D552 HydrophobicContact CE2-CB 4.15Å; D552-R554 PolarHBondContact O-N 3.3Å; D552-R554 VanDerWaalsContact O-N 3.1Å; D552-R554 VanDerWaalsContact OD1-CB 3.22Å; D552-R554 WeakPolarHBondContact OD1-CB 3.21Å; D552-R554 WeakPolarHBondContact OD1-CG 3.45Å; D552-R554 IonicContact OD1-CZ 2.75Å; D552-R554 PolarHBondContact OD1-N 3.23Å; D552-R554 IonicContact OD1-NE 3.74Å; D552-R554 PolarHBondContact OD1-NE 3.45Å; D552-R554 IonicContact OD1-NH2 3.64Å; D552-R554 IonicContact OD2-CZ 3.24Å; D552-R554 IonicContact OD2-NE 2.72Å; D552-R554 PolarHBondContact OD2-NE 2.86Å; D552-R554 IonicContact OD2-NH2 3.35Å; D552-R554 PolarHBondContact OD2-NH2 3.47Å; D552-H555 HydrophobicContact CB-CB 4.2Å; D552-H555 VanDerWaalsContact O-CB 3.29Å; D552-H555 WeakPolarHBondContact O-CB 3.49Å; D552-H555 PolarHBondContact O-N 3.32Å; D552-H555 VanDerWaalsContact O-N 3.11Å; D552-L595 PolarHBondContact OD2-N 3.25Å
553P94.3Very high92.1Very high8 Ų839.4 Ų39.45%0.05220%0.204CC..THydrogen-bonded Turntrans-59.5-25-179.419.7-28.7000113.2N311 L313 I320 L321 Y548 Q556N311-P553 WeakPolarHBondContact O-CB 3.25Å; N311-P553 WeakPolarHBondContact O-CD 3.44Å; N311-P553 VanDerWaalsContact O-CG 3.28Å; N311-P553 WeakPolarHBondContact O-CG 3.49Å; L313-P553 HydrophobicContact CB-CG 3.81Å; I320-P553 HydrophobicContact CG2-CB 4.03Å; I320-P553 HydrophobicContact CG2-CG 4.27Å; L321-P553 HydrophobicContact CD2-CB 4.44Å; L321-P553 WeakPolarHBondContact CD2-O 3.32Å; Y548-P553 HydrophobicContact CE1-CG 4.07Å; Y548-P553 VanDerWaalsContact CZ-CD 3.43Å; P553-Q556 WeakPolarHBondContact O-CG 3.46Å
554R96.6Very high92.3Very high12 Ų1243 Ų435%0.04522%0.221CC..THydrogen-bonded Turntrans-76.9-27.8-177.3-52.8170.2-65.7-178.7-2.8111.3L313 I320 L467 H471 D552 Q556 V557 I558 L595L313-R554 HydrophobicContact CD2-CG 3.85Å; I320-R554 HydrophobicContact CG1-CG 4.29Å; L467-R554 HydrophobicContact CB-CB 4.31Å; L467-R554 HydrophobicContact CB-CG 4.46Å; L467-R554 HydrophobicContact CD1-CB 4.35Å; L467-R554 HydrophobicContact CD2-CB 3.88Å; L467-R554 HydrophobicContact CD2-CG 3.97Å; L467-R554 HydrophobicContact CG-CB 4.39Å; L467-R554 VanDerWaalsContact O-CD 3.29Å; L467-R554 WeakPolarHBondContact O-CD 3.34Å; H471-R554 PolarHBondContact CD2-NH1 2.84Å; H471-R554 PolarHBondContact NE2-NH2 2.84Å; D552-R554 PolarHBondContact O-N 3.3Å; D552-R554 VanDerWaalsContact O-N 3.1Å; D552-R554 VanDerWaalsContact OD1-CB 3.22Å; D552-R554 WeakPolarHBondContact OD1-CB 3.21Å; D552-R554 WeakPolarHBondContact OD1-CG 3.45Å; D552-R554 IonicContact OD1-CZ 2.75Å; D552-R554 PolarHBondContact OD1-N 3.23Å; D552-R554 IonicContact OD1-NE 3.74Å; D552-R554 PolarHBondContact OD1-NE 3.45Å; D552-R554 IonicContact OD1-NH2 3.64Å; D552-R554 IonicContact OD2-CZ 3.24Å; D552-R554 IonicContact OD2-NE 2.72Å; D552-R554 PolarHBondContact OD2-NE 2.86Å; D552-R554 IonicContact OD2-NH2 3.35Å; D552-R554 PolarHBondContact OD2-NH2 3.47Å; R554-Q556 PolarHBondContact O-N 3.01Å; R554-V557 WeakPolarHBondContact O-CB 3.26Å; R554-V557 PolarHBondContact O-N 3.02Å; R554-V557 VanDerWaalsContact O-N 3.12Å; R554-I558 PolarHBondContact O-N 3.06Å; R554-L595 HydrophobicContact CB-CB 4.19Å; R554-L595 HydrophobicContact CB-CD1 3.93Å; R554-L595 HydrophobicContact CB-CD2 4.38Å; R554-L595 HydrophobicContact CB-CG 4.39Å
555H95.1Very high92.8Very high19 Ų1942.4 Ų42.49%0.08821%0.213CC..Hα-helixtrans-55.1-50.4179.4168.559.5000112.2D552 V557 I558 K559 E582 P593 F598D552-H555 HydrophobicContact CB-CB 4.2Å; D552-H555 VanDerWaalsContact O-CB 3.29Å; D552-H555 WeakPolarHBondContact O-CB 3.49Å; D552-H555 PolarHBondContact O-N 3.32Å; D552-H555 VanDerWaalsContact O-N 3.11Å; H555-V557 PolarHBondContact O-N 3.46Å; H555-V557 VanDerWaalsContact O-N 3.14Å; H555-I558 WeakPolarHBondContact O-CG2 3.41Å; H555-I558 PolarHBondContact O-N 2.82Å; H555-K559 VanDerWaalsContact O-CB 3.23Å; H555-K559 WeakPolarHBondContact O-CB 3.38Å; H555-K559 PolarHBondContact O-N 3.06Å; H555-E582 IonicContact CD2-OE1 3.54Å; H555-E582 IonicContact CE1-OE1 3.39Å; H555-E582 IonicContact CE1-OE2 3.62Å; H555-E582 PolarHBondContact CE1-OE2 3.46Å; H555-E582 VanDerWaalsContact CE1-OE2 3.24Å; H555-E582 VanDerWaalsContact NE2-CD 3.31Å; H555-E582 IonicContact NE2-OE1 3.64Å; H555-E582 PolarHBondContact NE2-OE1 2.9Å; H555-E582 IonicContact NE2-OE2 2.74Å; H555-E582 PolarHBondContact NE2-OE2 3.08Å; H555-P593 WeakPolarHBondContact CE1-CG 3.42Å; H555-P593 WeakPolarHBondContact NE2-CG 3.42Å; H555-F598 AromaticContact CE1-CD2 3.35Å; H555-F598 WeakPolarHBondContact CE1-CD2 3.48Å; H555-F598 AromaticContact CE1-CE2 3.5Å; H555-F598 AromaticContact ND1-CD2 3.66Å
556Q94.4Very high93.4Very high94 Ų9441 Ų4144%0.43921%0.207SC..Hα-helixtrans-62.9-24.8-178.858167.4-3.300113.4L321 P553 R554 R560L321-Q556 HydrophobicContact CD2-CG 4.34Å; P553-Q556 WeakPolarHBondContact O-CG 3.46Å; R554-Q556 PolarHBondContact O-N 3.01Å; Q556-R560 WeakPolarHBondContact O-CG 3.38Å; Q556-R560 PolarHBondContact O-NE 3.39Å; Q556-R560 VanDerWaalsContact O-NE 3.09Å
557V97.2Very high94.2Very high8 Ų842.9 Ų42.95%0.04821%0.209CC..Hα-helixtrans-78-55.4176.1-175.70000109.1L321 A324 I463 L467 R554 H555 K559 R560 V561L321-V557 HydrophobicContact CD2-CG2 3.57Å; A324-V557 HydrophobicContact CB-CG1 4.01Å; I463-V557 HydrophobicContact CG2-CG1 3.53Å; L467-V557 HydrophobicContact CD1-CB 3.99Å; L467-V557 HydrophobicContact CD1-CG1 4.02Å; L467-V557 HydrophobicContact CD2-CB 4.26Å; L467-V557 HydrophobicContact CD2-CG1 4.4Å; L467-V557 HydrophobicContact CD2-CG2 4.46Å; R554-V557 WeakPolarHBondContact O-CB 3.26Å; R554-V557 PolarHBondContact O-N 3.02Å; R554-V557 VanDerWaalsContact O-N 3.12Å; H555-V557 PolarHBondContact O-N 3.46Å; H555-V557 VanDerWaalsContact O-N 3.14Å; V557-K559 VanDerWaalsContact C-N 3.28Å; V557-K559 PolarHBondContact O-N 3.41Å; V557-R560 WeakPolarHBondContact O-CB 3.3Å; V557-R560 PolarHBondContact O-N 3.26Å; V557-R560 VanDerWaalsContact O-N 3.12Å; V557-V561 PolarHBondContact O-N 3.13Å
558I97.6Very high94.8Very high0 Ų045.2 Ų45.20%022%0.217CC..Hα-helixtrans-65.6-31.9-175.9-164.266.9000112.3L467 R554 H555 R560 V561 A562 L595 F598L467-I558 HydrophobicContact CD1-CB 3.99Å; L467-I558 HydrophobicContact CD1-CD1 4.45Å; R554-I558 PolarHBondContact O-N 3.06Å; H555-I558 WeakPolarHBondContact O-CG2 3.41Å; H555-I558 PolarHBondContact O-N 2.82Å; I558-R560 VanDerWaalsContact C-N 3.31Å; I558-R560 PolarHBondContact O-N 3.2Å; I558-V561 HydrophobicContact CD1-CB 4.37Å; I558-V561 PolarHBondContact O-N 3.3Å; I558-A562 WeakPolarHBondContact O-CB 3.43Å; I558-A562 PolarHBondContact O-N 3.32Å; I558-L595 HydrophobicContact CB-CD1 3.89Å; I558-L595 HydrophobicContact CG1-CD1 4.25Å; I558-L595 HydrophobicContact CG2-CD1 3.76Å; I558-F598 HydrophobicContact CG1-CB 4.47Å; I558-F598 HydrophobicContact CG2-CB 3.86Å
559K97.9Very high95.2Very high37 Ų3747.9 Ų47.916%0.16125%0.246CC..Hα-helixtrans-61.8-38.5175-177.9171.7-178.3170.10112.1H555 V557 K563 Y575 D579 E582 F598H555-K559 VanDerWaalsContact O-CB 3.23Å; H555-K559 WeakPolarHBondContact O-CB 3.38Å; H555-K559 PolarHBondContact O-N 3.06Å; V557-K559 VanDerWaalsContact C-N 3.28Å; V557-K559 PolarHBondContact O-N 3.41Å; K559-K563 PolarHBondContact O-N 3.3Å; K559-Y575 WeakPolarHBondContact CE-OH 3.5Å; K559-Y575 HydrophobicContact CG-CE2 4.19Å; K559-D579 WeakPolarHBondContact CE-OD1 3.23Å; K559-D579 IonicContact NZ-OD1 3.93Å; K559-D579 PolarHBondContact NZ-OD1 3.19Å; K559-E582 WeakPolarHBondContact CE-OE2 3.44Å; K559-E582 VanDerWaalsContact NZ-CD 3.25Å; K559-E582 IonicContact NZ-OE1 3.24Å; K559-E582 PolarHBondContact NZ-OE1 2.98Å; K559-E582 IonicContact NZ-OE2 2.79Å; K559-E582 PolarHBondContact NZ-OE2 3.41Å; K559-F598 HydrophobicContact CB-CB 4.43Å; K559-F598 HydrophobicContact CB-CD1 4.4Å; K559-F598 HydrophobicContact CB-CD2 4.07Å; K559-F598 HydrophobicContact CB-CE2 4.44Å; K559-F598 HydrophobicContact CB-CG 4.04Å; K559-F598 HydrophobicContact CD-CD2 4.3Å; K559-F598 HydrophobicContact CD-CE2 3.85Å; K559-F598 HydrophobicContact CD-CZ 3.98Å; K559-F598 HydrophobicContact CG-CD1 4.16Å; K559-F598 HydrophobicContact CG-CD2 4.11Å; K559-F598 HydrophobicContact CG-CE1 4.03Å; K559-F598 HydrophobicContact CG-CE2 4Å; K559-F598 HydrophobicContact CG-CG 4.18Å; K559-F598 HydrophobicContact CG-CZ 3.94Å
560R97.7Very high95.8Very high158 Ų15847.9 Ų47.960%0.59626%0.259SS*.Hα-helixtrans-67.1-41.5175-72.8-177.6-69.9166.80.6111.5Q556 V557 I558 K563 Q564Q556-R560 WeakPolarHBondContact O-CG 3.38Å; Q556-R560 PolarHBondContact O-NE 3.39Å; Q556-R560 VanDerWaalsContact O-NE 3.09Å; V557-R560 WeakPolarHBondContact O-CB 3.3Å; V557-R560 PolarHBondContact O-N 3.26Å; V557-R560 VanDerWaalsContact O-N 3.12Å; I558-R560 VanDerWaalsContact C-N 3.31Å; I558-R560 PolarHBondContact O-N 3.2Å; R560-K563 PolarHBondContact O-N 3.24Å; R560-Q564 PolarHBondContact O-N 3.22Å
561V97.8Very high96.2Very high11 Ų1146.1 Ų46.17%0.06726%0.255CS..Hα-helixtrans-61.9-48.7175.6175.90000110.9A460 I463 V557 I558 K563 Q564 L565A460-V561 HydrophobicContact CB-CG1 3.57Å; I463-V561 HydrophobicContact CB-CG2 4.25Å; I463-V561 HydrophobicContact CD1-CG2 3.62Å; I463-V561 HydrophobicContact CG2-CG2 3.85Å; V557-V561 PolarHBondContact O-N 3.13Å; I558-V561 HydrophobicContact CD1-CB 4.37Å; I558-V561 PolarHBondContact O-N 3.3Å; V561-K563 VanDerWaalsContact C-N 3.3Å; V561-K563 PolarHBondContact O-N 2.89Å; V561-Q564 PolarHBondContact O-N 3.48Å; V561-Q564 VanDerWaalsContact O-N 3.15Å; V561-L565 HydrophobicContact CG1-CD1 3.86Å; V561-L565 HydrophobicContact CG1-CG 4.32Å; V561-L565 WeakPolarHBondContact O-CG 3.46Å; V561-L565 PolarHBondContact O-N 2.88Å
562A97.9Very high96.5Very high0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-56-45.417700000111.7I558 Q564 L565 S566 Y575 F598 V601 S602I558-A562 WeakPolarHBondContact O-CB 3.43Å; I558-A562 PolarHBondContact O-N 3.32Å; A562-Q564 PolarHBondContact O-N 3.16Å; A562-L565 PolarHBondContact O-N 2.81Å; A562-S566 WeakPolarHBondContact O-CB 3.35Å; A562-S566 PolarHBondContact O-N 2.99Å; A562-S566 PolarHBondContact O-OG 2.98Å; A562-S566 VanDerWaalsContact O-OG 3.12Å; A562-Y575 HydrophobicContact CB-CD2 4.26Å; A562-F598 HydrophobicContact CB-CB 4.23Å; A562-F598 HydrophobicContact CB-CD1 3.76Å; A562-F598 HydrophobicContact CB-CG 4.46Å; A562-V601 HydrophobicContact CB-CB 4.06Å; A562-V601 HydrophobicContact CB-CG1 4.06Å; A562-S602 WeakPolarHBondContact CA-OG 3.47Å; A562-S602 WeakPolarHBondContact CB-OG 3.23Å; A562-S602 PolarHBondContact N-OG 3.19Å
563K98.2Very high96.5Very high92 Ų9251.3 Ų51.340%0.427%0.274SS..Hα-helixtrans-59.8-47.4177.1-166.3175.6-176.5173.20111.8K559 R560 V561 S566 Q567 Y575K559-K563 PolarHBondContact O-N 3.3Å; R560-K563 PolarHBondContact O-N 3.24Å; V561-K563 VanDerWaalsContact C-N 3.3Å; V561-K563 PolarHBondContact O-N 2.89Å; K563-S566 PolarHBondContact O-N 3.01Å; K563-Q567 VanDerWaalsContact O-CG 3.28Å; K563-Q567 WeakPolarHBondContact O-CG 3.16Å; K563-Q567 PolarHBondContact O-N 3.06Å; K563-Y575 HydrophobicContact CB-CD2 3.91Å; K563-Y575 HydrophobicContact CB-CE2 3.43Å; K563-Y575 VanDerWaalsContact CB-CE2 3.43Å; K563-Y575 HydrophobicContact CD-CE1 4.24Å; K563-Y575 HydrophobicContact CD-CE2 4.4Å; K563-Y575 HydrophobicContact CG-CD2 4.35Å; K563-Y575 HydrophobicContact CG-CE1 4.11Å; K563-Y575 HydrophobicContact CG-CE2 3.92Å
564Q97.7Very high96.6Very high95 Ų9551.8 Ų51.844%0.44428%0.275SS..Hα-helixtrans-61.4-49.6-179.8-178.3-179.2-14.800111R560 V561 A562 S566 Q567 E568R560-Q564 PolarHBondContact O-N 3.22Å; V561-Q564 PolarHBondContact O-N 3.48Å; V561-Q564 VanDerWaalsContact O-N 3.15Å; A562-Q564 PolarHBondContact O-N 3.16Å; Q564-S566 VanDerWaalsContact C-N 3.34Å; Q564-S566 PolarHBondContact O-N 3.37Å; Q564-Q567 WeakPolarHBondContact O-CB 3.16Å; Q564-Q567 PolarHBondContact O-N 3.13Å; Q564-Q567 VanDerWaalsContact O-N 3.16Å; Q564-E568 WeakPolarHBondContact CG-OE1 2.98Å; Q564-E568 PolarHBondContact NE2-OE1 3.11Å; Q564-E568 WeakPolarHBondContact O-CG 3.46Å; Q564-E568 PolarHBondContact O-N 2.76Å
565L98Very high96.6Very high6 Ų652 Ų523%0.03128%0.276CS..Hα-helixtrans-60.2-42.2178.2-70.7171.8000112.1A460 V561 A562 Q567 E568 G569 M605 M606A460-L565 HydrophobicContact CB-CD1 3.91Å; A460-L565 HydrophobicContact CB-CD2 4.17Å; A460-L565 HydrophobicContact CB-CG 4.33Å; V561-L565 HydrophobicContact CG1-CD1 3.86Å; V561-L565 HydrophobicContact CG1-CG 4.32Å; V561-L565 WeakPolarHBondContact O-CG 3.46Å; V561-L565 PolarHBondContact O-N 2.88Å; A562-L565 PolarHBondContact O-N 2.81Å; L565-Q567 VanDerWaalsContact C-N 3.33Å; L565-Q567 PolarHBondContact O-N 3.25Å; L565-E568 PolarHBondContact O-N 2.89Å; L565-G569 PolarHBondContact O-N 3.43Å; L565-M605 HydrophobicContact CB-CB 3.85Å; L565-M605 HydrophobicContact CB-CG 4.29Å; L565-M606 HydrophobicContact CD1-CE 4.3Å; L565-M606 HydrophobicContact CD1-CG 4.02Å; L565-M606 HydrophobicContact CD1-SD 4.2Å; L565-M606 HydrophobicContact CD2-CG 4.19Å
566S97.8Very high96.8Very high0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-64.8-34.8176.3-70.30000113.2A562 K563 Q564 G570 S571A562-S566 WeakPolarHBondContact O-CB 3.35Å; A562-S566 PolarHBondContact O-N 2.99Å; A562-S566 PolarHBondContact O-OG 2.98Å; A562-S566 VanDerWaalsContact O-OG 3.12Å; K563-S566 PolarHBondContact O-N 3.01Å; Q564-S566 VanDerWaalsContact C-N 3.34Å; Q564-S566 PolarHBondContact O-N 3.37Å; S566-G570 PolarHBondContact O-N 2.92Å; S566-S571 VanDerWaalsContact CB-O 3.31Å; S566-S571 WeakPolarHBondContact CB-O 3.38Å; S566-S571 CarbonylContact O-C 3.39Å; S566-S571 PolarHBondContact O-N 3Å
567Q97.5Very high96.9Very high112 Ų11250.1 Ų50.152%0.52327%0.27SS..Hα-helixtrans-68.7-45.5174-72.2173.7-34.400111.5K563 Q564 L565 G570 L572K563-Q567 VanDerWaalsContact O-CG 3.28Å; K563-Q567 WeakPolarHBondContact O-CG 3.16Å; K563-Q567 PolarHBondContact O-N 3.06Å; Q564-Q567 WeakPolarHBondContact O-CB 3.16Å; Q564-Q567 PolarHBondContact O-N 3.13Å; Q564-Q567 VanDerWaalsContact O-N 3.16Å; L565-Q567 VanDerWaalsContact C-N 3.33Å; L565-Q567 PolarHBondContact O-N 3.25Å; Q567-G570 PolarHBondContact O-N 2.65Å; Q567-L572 HydrophobicContact CG-CD1 4.41Å; Q567-L572 HydrophobicContact CG-CD2 3.98Å; Q567-L572 HydrophobicContact CG-CG 4.4Å
568E96Very high96.9Very high94 Ų9449.7 Ų49.744%0.43927%0.268SS..Hα-helixtrans-64.1-40.3177.6-71175.8-165.600112.1S456 Q564 L565 G570S456-E568 WeakPolarHBondContact CB-OE2 3.35Å; S456-E568 PolarHBondContact OG-OE2 3.44Å; Q564-E568 WeakPolarHBondContact CG-OE1 2.98Å; Q564-E568 PolarHBondContact NE2-OE1 3.11Å; Q564-E568 WeakPolarHBondContact O-CG 3.46Å; Q564-E568 PolarHBondContact O-N 2.76Å; L565-E568 PolarHBondContact O-N 2.89Å; E568-G570 PolarHBondContact O-N 3.27Å
569G94.2Very high96.9Very high59 Ų5952.1 Ų52.161%0.60828%0.281SS*.THydrogen-bonded Turntrans-74.5-3175.800000114.6L565 S571L565-G569 PolarHBondContact O-N 3.43Å; G569-S571 VanDerWaalsContact C-N 3.34Å; G569-S571 PolarHBondContact O-N 3.24Å
570G94.5Very high96.8Very high71 Ų7154.2 Ų54.273%0.73229%0.287SS*.THydrogen-bonded Turntrans76.910.9175.300000115.6S566 Q567 E568S566-G570 PolarHBondContact O-N 2.92Å; Q567-G570 PolarHBondContact O-N 2.65Å; E568-G570 PolarHBondContact O-N 3.27Å
571S94.6Very high96.8Very high55 Ų5546.7 Ų46.739%0.38526%0.259SS..  trans-140.9114.4178.9-176.80000112.5S566 G569S566-S571 VanDerWaalsContact CB-O 3.31Å; S566-S571 WeakPolarHBondContact CB-O 3.38Å; S566-S571 CarbonylContact O-C 3.39Å; S566-S571 PolarHBondContact O-N 3Å; G569-S571 VanDerWaalsContact C-N 3.34Å; G569-S571 PolarHBondContact O-N 3.24Å
572L96.4Very high96.7Very high62 Ų6248 Ų4833%0.32526%0.264SS..  trans-90.42.4172.6-76.5169.6000113.4Q567 M574 Y575 N576Q567-L572 HydrophobicContact CG-CD1 4.41Å; Q567-L572 HydrophobicContact CG-CD2 3.98Å; Q567-L572 HydrophobicContact CG-CG 4.4Å; L572-M574 PolarHBondContact O-N 3.03Å; L572-Y575 HydrophobicContact CD2-CD1 4.04Å; L572-Y575 HydrophobicContact CD2-CG 4.2Å; L572-Y575 PolarHBondContact O-N 2.69Å; L572-N576 WeakPolarHBondContact O-CB 3.41Å; L572-N576 PolarHBondContact O-N 3.43Å; L572-N576 PolarHBondContact O-ND2 3.19Å
573K96.1Very high96.6Very high85 Ų8551.1 Ų51.137%0.3728%0.284SS..Hα-helixtrans-52.2-55.5-174.6176.3-178.7168.9-175.90111.4E521 N576 I577E521-K573 VanDerWaalsContact O-CE 3.26Å; E521-K573 WeakPolarHBondContact O-CE 3.28Å; E521-K573 IonicContact OE1-NZ 2.77Å; E521-K573 PolarHBondContact OE1-NZ 2.81Å; E521-K573 IonicContact OE2-NZ 2.63Å; E521-K573 PolarHBondContact OE2-NZ 3.12Å; K573-N576 PolarHBondContact O-N 2.95Å; K573-I577 HydrophobicContact CG-CD1 4.07Å; K573-I577 WeakPolarHBondContact O-CG1 3.44Å; K573-I577 PolarHBondContact O-N 2.64Å; K573-I577 VanDerWaalsContact O-N 3.1Å
574M95Very high96.4Very high17 Ų1746.8 Ų46.88%0.08427%0.265CS..Hα-helixtrans-67.9-41.5-176.4-169.1166-162.500112.5L514 Q517 Q518 L572 N576 I577 A578 V601 N604L514-M574 HydrophobicContact CD1-CE 3.12Å; L514-M574 HydrophobicContact CD1-SD 4.02Å; L514-M574 HydrophobicContact CG-CE 3.83Å; Q517-M574 HydrophobicContact CB-CE 3.59Å; Q518-M574 HydrophobicContact CG-CE 3.83Å; L572-M574 PolarHBondContact O-N 3.03Å; M574-N576 VanDerWaalsContact C-N 3.34Å; M574-N576 PolarHBondContact O-N 2.96Å; M574-I577 PolarHBondContact O-N 3.02Å; M574-A578 PolarHBondContact O-N 2.9Å; M574-V601 HydrophobicContact CG-CG1 4.32Å; M574-V601 HydrophobicContact CG-CG2 4.19Å; M574-N604 HydrophobicContact SD-CB 4.2Å
575Y97.7Very high96.3Very high16 Ų1642.4 Ų42.46%0.06325%0.245CC..Hα-helixtrans-57.7-46.9174.8176.2-87.8000111.5K559 A562 K563 L572 I577 A578 D579 F598K559-Y575 WeakPolarHBondContact CE-OH 3.5Å; K559-Y575 HydrophobicContact CG-CE2 4.19Å; A562-Y575 HydrophobicContact CB-CD2 4.26Å; K563-Y575 HydrophobicContact CB-CD2 3.91Å; K563-Y575 HydrophobicContact CB-CE2 3.43Å; K563-Y575 VanDerWaalsContact CB-CE2 3.43Å; K563-Y575 HydrophobicContact CD-CE1 4.24Å; K563-Y575 HydrophobicContact CD-CE2 4.4Å; K563-Y575 HydrophobicContact CG-CD2 4.35Å; K563-Y575 HydrophobicContact CG-CE1 4.11Å; K563-Y575 HydrophobicContact CG-CE2 3.92Å; L572-Y575 HydrophobicContact CD2-CD1 4.04Å; L572-Y575 HydrophobicContact CD2-CG 4.2Å; L572-Y575 PolarHBondContact O-N 2.69Å; Y575-I577 VanDerWaalsContact C-N 3.35Å; Y575-I577 PolarHBondContact O-N 3.25Å; Y575-A578 PolarHBondContact O-N 3.29Å; Y575-D579 HydrophobicContact CE1-CB 4.21Å; Y575-D579 VanDerWaalsContact O-CB 3.28Å; Y575-D579 WeakPolarHBondContact O-CB 3.34Å; Y575-D579 PolarHBondContact O-N 2.97Å; Y575-F598 HydrophobicContact CD2-CD1 4.26Å; Y575-F598 AromaticContact CD2-CE1 3.77Å; Y575-F598 HydrophobicContact CD2-CE1 3.77Å; Y575-F598 HydrophobicContact CE2-CD1 4.27Å; Y575-F598 AromaticContact CE2-CE1 3.69Å; Y575-F598 HydrophobicContact CE2-CE1 3.69Å
576N97.9Very high96.1Very high71 Ų7148.1 Ų48.138%0.3827%0.266SS..Hα-helixtrans-66.1-36.2-178.7-69.5-16.8000112.2P523 L572 K573 M574 R580P523-N576 HydrophobicContact CG-CB 4.05Å; L572-N576 WeakPolarHBondContact O-CB 3.41Å; L572-N576 PolarHBondContact O-N 3.43Å; L572-N576 PolarHBondContact O-ND2 3.19Å; K573-N576 PolarHBondContact O-N 2.95Å; M574-N576 VanDerWaalsContact C-N 3.34Å; M574-N576 PolarHBondContact O-N 2.96Å; N576-R580 WeakPolarHBondContact O-CB 3.47Å; N576-R580 PolarHBondContact O-N 3.43Å
577I97.3Very high95.9Very high3 Ų353.1 Ų53.12%0.01529%0.289CS..Hα-helixtrans-63.1-51.8172.8-70.9163.8000109.8Y520 P523 A526 K573 M574 Y575 D579 R580 L581Y520-I577 HydrophobicContact CD2-CG2 4.02Å; Y520-I577 VanDerWaalsContact O-CD1 3.24Å; Y520-I577 WeakPolarHBondContact O-CD1 3.15Å; P523-I577 HydrophobicContact CG-CG1 4.29Å; A526-I577 HydrophobicContact CB-CG2 3.88Å; K573-I577 HydrophobicContact CG-CD1 4.07Å; K573-I577 WeakPolarHBondContact O-CG1 3.44Å; K573-I577 PolarHBondContact O-N 2.64Å; K573-I577 VanDerWaalsContact O-N 3.1Å; M574-I577 PolarHBondContact O-N 3.02Å; Y575-I577 VanDerWaalsContact C-N 3.35Å; Y575-I577 PolarHBondContact O-N 3.25Å; I577-D579 VanDerWaalsContact C-N 3.3Å; I577-D579 PolarHBondContact O-N 3.43Å; I577-R580 PolarHBondContact O-N 3.27Å; I577-L581 HydrophobicContact CG2-CD1 4.26Å; I577-L581 WeakPolarHBondContact O-CG 3.37Å; I577-L581 PolarHBondContact O-N 3.43Å
578A97.1Very high95.7Very high0 Ų049.9 Ų49.90%028%0.279CS..Hα-helixtrans-60.2-39.218000000112.6Q517 M574 Y575 L581 E582 W597 F598 V601Q517-A578 HydrophobicContact CG-CB 4.36Å; M574-A578 PolarHBondContact O-N 2.9Å; Y575-A578 PolarHBondContact O-N 3.29Å; A578-L581 PolarHBondContact O-N 3.02Å; A578-E582 PolarHBondContact O-N 3.15Å; A578-E582 VanDerWaalsContact O-N 3.07Å; A578-W597 PolarHBondContact O-NE1 3.17Å; A578-F598 HydrophobicContact CB-CD1 4.37Å; A578-F598 HydrophobicContact CB-CE1 3.76Å; A578-F598 HydrophobicContact CB-CZ 3.89Å; A578-V601 HydrophobicContact CB-CG2 3.87Å
579D97.3Very high95.5Very high51 Ų5150.3 Ų50.327%0.27328%0.279SS..Hα-helixtrans-68.6-39.9178.1-168.949.4000112.8K559 Y575 I577 E582 T583 F598K559-D579 WeakPolarHBondContact CE-OD1 3.23Å; K559-D579 IonicContact NZ-OD1 3.93Å; K559-D579 PolarHBondContact NZ-OD1 3.19Å; Y575-D579 HydrophobicContact CE1-CB 4.21Å; Y575-D579 VanDerWaalsContact O-CB 3.28Å; Y575-D579 WeakPolarHBondContact O-CB 3.34Å; Y575-D579 PolarHBondContact O-N 2.97Å; I577-D579 VanDerWaalsContact C-N 3.3Å; I577-D579 PolarHBondContact O-N 3.43Å; D579-E582 PolarHBondContact O-N 3.17Å; D579-T583 PolarHBondContact O-N 3.37Å; D579-T583 PolarHBondContact O-OG1 3.36Å; D579-F598 HydrophobicContact CB-CZ 4.29Å
580R97.1Very high95.3Very high80 Ų8053.7 Ų53.730%0.30228%0.277SS..Hα-helixtrans-64.2-45.4173.5179.664.876.885.112.1111P523 D524 E527 N576 I577 E582 T583 V584P523-R580 HydrophobicContact CB-CB 3.77Å; P523-R580 HydrophobicContact CB-CG 3.97Å; D524-R580 IonicContact OD1-CZ 3.31Å; D524-R580 VanDerWaalsContact OD1-CZ 3.31Å; D524-R580 IonicContact OD1-NH1 2.8Å; D524-R580 PolarHBondContact OD1-NH1 3.45Å; D524-R580 IonicContact OD1-NH2 2.94Å; D524-R580 PolarHBondContact OD1-NH2 2.82Å; E527-R580 HydrophobicContact CB-CG 4.21Å; E527-R580 WeakPolarHBondContact OE2-CD 3.42Å; E527-R580 IonicContact OE2-CZ 3.7Å; E527-R580 IonicContact OE2-NE 3.95Å; E527-R580 IonicContact OE2-NH1 2.72Å; E527-R580 PolarHBondContact OE2-NH1 2.68Å; N576-R580 WeakPolarHBondContact O-CB 3.47Å; N576-R580 PolarHBondContact O-N 3.43Å; I577-R580 PolarHBondContact O-N 3.27Å; R580-E582 VanDerWaalsContact C-N 3.27Å; R580-E582 PolarHBondContact O-N 3.47Å; R580-T583 WeakPolarHBondContact O-CB 3.23Å; R580-T583 PolarHBondContact O-N 3.1Å; R580-T583 VanDerWaalsContact O-N 3.09Å; R580-V584 HydrophobicContact CG-CG2 4.33Å; R580-V584 WeakPolarHBondContact O-CG2 3.43Å; R580-V584 PolarHBondContact O-N 3.22Å
581L96.3Very high95.2Very high1 Ų154.2 Ų54.21%0.00526%0.261CS..Hα-helixtrans-63.8-33179.7-68.8-173.2000112.9I516 Y520 A526 I530 I577 A578 V584 M585 W597I516-L581 HydrophobicContact CG2-CD1 4.46Å; Y520-L581 HydrophobicContact CD2-CD1 4.45Å; Y520-L581 HydrophobicContact CE2-CD1 4.04Å; A526-L581 HydrophobicContact CB-CD1 4.21Å; A526-L581 HydrophobicContact CB-CD2 3.73Å; A526-L581 HydrophobicContact CB-CG 4.02Å; A526-L581 WeakPolarHBondContact O-CD2 3.11Å; I530-L581 HydrophobicContact CB-CD2 3.78Å; I530-L581 HydrophobicContact CG1-CD1 3.98Å; I530-L581 HydrophobicContact CG1-CD2 3.38Å; I530-L581 HydrophobicContact CG1-CG 4.26Å; I530-L581 HydrophobicContact CG2-CD2 4.32Å; I577-L581 HydrophobicContact CG2-CD1 4.26Å; I577-L581 WeakPolarHBondContact O-CG 3.37Å; I577-L581 PolarHBondContact O-N 3.43Å; A578-L581 PolarHBondContact O-N 3.02Å; L581-V584 PolarHBondContact O-N 2.9Å; L581-M585 WeakPolarHBondContact O-CB 3.49Å; L581-M585 WeakPolarHBondContact O-CG 3.39Å; L581-M585 PolarHBondContact O-N 3.44Å; L581-W597 HydrophobicContact CB-CZ2 3.76Å; L581-W597 HydrophobicContact CD1-CH2 4.04Å; L581-W597 HydrophobicContact CD1-CZ2 3.72Å; L581-W597 HydrophobicContact CG-CZ2 4.39Å
582E95.8Very high95.1Very high37 Ų3752.7 Ų52.717%0.17325%0.248CC..Hα-helixtrans-57.7-48.5169.9169.8176.4174.900111.9F543 H555 K559 A578 D579 R580 M585 W586 P593 F598F543-E582 HydrophobicContact CE1-CB 4.44Å; H555-E582 IonicContact CD2-OE1 3.54Å; H555-E582 IonicContact CE1-OE1 3.39Å; H555-E582 IonicContact CE1-OE2 3.62Å; H555-E582 PolarHBondContact CE1-OE2 3.46Å; H555-E582 VanDerWaalsContact CE1-OE2 3.24Å; H555-E582 VanDerWaalsContact NE2-CD 3.31Å; H555-E582 IonicContact NE2-OE1 3.64Å; H555-E582 PolarHBondContact NE2-OE1 2.9Å; H555-E582 IonicContact NE2-OE2 2.74Å; H555-E582 PolarHBondContact NE2-OE2 3.08Å; K559-E582 WeakPolarHBondContact CE-OE2 3.44Å; K559-E582 VanDerWaalsContact NZ-CD 3.25Å; K559-E582 IonicContact NZ-OE1 3.24Å; K559-E582 PolarHBondContact NZ-OE1 2.98Å; K559-E582 IonicContact NZ-OE2 2.79Å; K559-E582 PolarHBondContact NZ-OE2 3.41Å; A578-E582 PolarHBondContact O-N 3.15Å; A578-E582 VanDerWaalsContact O-N 3.07Å; D579-E582 PolarHBondContact O-N 3.17Å; R580-E582 VanDerWaalsContact C-N 3.27Å; R580-E582 PolarHBondContact O-N 3.47Å; E582-M585 PolarHBondContact O-N 3.44Å; E582-W586 PolarHBondContact O-N 3.21Å; E582-W586 VanDerWaalsContact O-N 3.1Å; E582-P593 HydrophobicContact CB-CG 4.42Å; E582-P593 HydrophobicContact CG-CG 3.81Å; E582-F598 VanDerWaalsContact OE2-CE2 3.24Å; E582-F598 WeakPolarHBondContact OE2-CE2 3.17Å
583T95.2Very high95Very high66 Ų6649.9 Ų49.941%0.40523%0.233SC..Hα-helixtrans-61.1-47.2178.2-56.50000111.1D579 R580 M585 W586 E587D579-T583 PolarHBondContact O-N 3.37Å; D579-T583 PolarHBondContact O-OG1 3.36Å; R580-T583 WeakPolarHBondContact O-CB 3.23Å; R580-T583 PolarHBondContact O-N 3.1Å; R580-T583 VanDerWaalsContact O-N 3.09Å; T583-M585 VanDerWaalsContact C-N 3.35Å; T583-M585 PolarHBondContact O-N 3.01Å; T583-W586 PolarHBondContact O-N 3Å; T583-E587 WeakPolarHBondContact O-CG 3.33Å; T583-E587 PolarHBondContact O-N 2.9Å
584V96Very high94.8Very high1 Ų146.7 Ų46.71%0.00622%0.221CC..Hα-helixtrans-60.9-41.9-179.5173.30000111.9E527 I530 R531 R580 L581 E587 S588E527-V584 HydrophobicContact CB-CG2 3.81Å; E527-V584 HydrophobicContact CG-CG1 4.47Å; E527-V584 HydrophobicContact CG-CG2 3.49Å; E527-V584 VanDerWaalsContact CG-CG2 3.49Å; I530-V584 HydrophobicContact CG2-CG1 4.12Å; R531-V584 HydrophobicContact CG-CG1 3.7Å; R580-V584 HydrophobicContact CG-CG2 4.33Å; R580-V584 WeakPolarHBondContact O-CG2 3.43Å; R580-V584 PolarHBondContact O-N 3.22Å; L581-V584 PolarHBondContact O-N 2.9Å; V584-E587 PolarHBondContact O-N 3.22Å; V584-S588 VanDerWaalsContact O-CB 3.22Å; V584-S588 WeakPolarHBondContact O-CB 3.4Å; V584-S588 PolarHBondContact O-N 2.99Å; V584-S588 PolarHBondContact O-OG 2.96Å
585M95.4Very high94.8Very high4 Ų445.9 Ų45.92%0.0222%0.217CC..Hα-helixtrans-68.6-35.8178.5-75.2-60.5-65.200112.5I530 V534 V540 F543 L581 E582 T583 K589 K590 M591I530-M585 HydrophobicContact CG2-CG 4.4Å; I530-M585 HydrophobicContact CG2-SD 3.88Å; V534-M585 HydrophobicContact CG2-SD 3.77Å; V540-M585 HydrophobicContact CB-CE 3.94Å; V540-M585 HydrophobicContact CB-SD 4.07Å; V540-M585 HydrophobicContact CG1-SD 4.4Å; V540-M585 HydrophobicContact CG2-CE 4.13Å; V540-M585 HydrophobicContact CG2-SD 3.84Å; F543-M585 HydrophobicContact CB-CE 3.93Å; F543-M585 HydrophobicContact CD1-CB 3.54Å; F543-M585 HydrophobicContact CD1-CE 4.45Å; F543-M585 HydrophobicContact CD1-CG 3.77Å; F543-M585 HydrophobicContact CD2-CE 4.34Å; F543-M585 HydrophobicContact CD2-CG 3.89Å; F543-M585 HydrophobicContact CE1-CB 3.49Å; F543-M585 VanDerWaalsContact CE1-CB 3.49Å; F543-M585 HydrophobicContact CE1-CG 3.69Å; F543-M585 HydrophobicContact CE2-CB 4.5Å; F543-M585 HydrophobicContact CE2-CG 3.78Å; F543-M585 HydrophobicContact CG-CB 4.11Å; F543-M585 HydrophobicContact CG-CE 3.98Å; F543-M585 HydrophobicContact CG-CG 3.88Å; F543-M585 HydrophobicContact CZ-CB 3.99Å; F543-M585 HydrophobicContact CZ-CG 3.68Å; L581-M585 WeakPolarHBondContact O-CB 3.49Å; L581-M585 WeakPolarHBondContact O-CG 3.39Å; L581-M585 PolarHBondContact O-N 3.44Å; E582-M585 PolarHBondContact O-N 3.44Å; T583-M585 VanDerWaalsContact C-N 3.35Å; T583-M585 PolarHBondContact O-N 3.01Å; M585-K589 PolarHBondContact O-N 3.34Å; M585-K590 PolarHBondContact O-N 2.82Å; M585-M591 HydrophobicContact CE-CB 4.25Å; M585-M591 HydrophobicContact CE-SD 4.09Å; M585-M591 PolarHBondContact O-N 2.93Å
586W93.5Very high94.6Very high125 Ų12546 Ų4647%0.47322%0.218SC..Hα-helixtrans-66.8-42.1173.6-172.8-107.5000112.4E582 T583 K590 F592E582-W586 PolarHBondContact O-N 3.21Å; E582-W586 VanDerWaalsContact O-N 3.1Å; T583-W586 PolarHBondContact O-N 3Å; W586-K590 VanDerWaalsContact O-CA 3.29Å; W586-K590 WeakPolarHBondContact O-CA 3.31Å; W586-K590 WeakPolarHBondContact O-CD 3.48Å; W586-K590 WeakPolarHBondContact O-CE 3.21Å; W586-K590 PolarHBondContact O-N 3.07Å; W586-K590 VanDerWaalsContact O-N 3.11Å; W586-K590 PolarHBondContact O-NZ 3.24Å; W586-F592 HydrophobicContact CE3-CB 4.46Å; W586-F592 HydrophobicContact CZ3-CB 4.22Å; W586-F592 HydrophobicContact CZ3-CD1 4.38Å
587E94Very high94.5Very high106 Ų10642.6 Ų42.650%0.49520%0.2SC..Hα-helixtrans-65.5-47.5176.1-72.3178176.600111.8R531 T583 V584R531-E587 IonicContact CZ-OE2 2.64Å; R531-E587 IonicContact NH1-OE2 3.38Å; R531-E587 IonicContact NH2-OE2 3.2Å; R531-E587 PolarHBondContact NH2-OE2 3.17Å; T583-E587 WeakPolarHBondContact O-CG 3.33Å; T583-E587 PolarHBondContact O-N 2.9Å; V584-E587 PolarHBondContact O-N 3.22Å
588S92.4Very high94.4Very high43 Ų4342.4 Ų42.430%0.30120%0.199SC..Hα-helixtrans-82.5-33.9-169.2-51.40000113.8R531 V584R531-S588 PolarHBondContact NH1-OG 3.24Å; V584-S588 VanDerWaalsContact O-CB 3.22Å; V584-S588 WeakPolarHBondContact O-CB 3.4Å; V584-S588 PolarHBondContact O-N 2.99Å; V584-S588 PolarHBondContact O-OG 2.96Å
589K90.9Very high94.4Very high103 Ų10342.4 Ų42.445%0.44820%0.199SC..Hα-helixtrans-133-2-173.8-71.6-69.7-178.9179.90114.8V534 M585 M591V534-K589 HydrophobicContact CG1-CD 4.08Å; V534-K589 HydrophobicContact CG1-CG 3.64Å; M585-K589 PolarHBondContact O-N 3.34Å; K589-M591 HydrophobicContact CB-CB 4.37Å; K589-M591 HydrophobicContact CB-CG 3.92Å; K589-M591 HydrophobicContact CB-SD 4.16Å; K589-M591 PolarHBondContact O-N 2.75Å
590K91.3Very high94.3Very high130 Ų13040 Ų4057%0.56519%0.186SC*.  trans53.139-171.6-56.9-71160.6-140.10111.7M585 W586M585-K590 PolarHBondContact O-N 2.82Å; W586-K590 VanDerWaalsContact O-CA 3.29Å; W586-K590 WeakPolarHBondContact O-CA 3.31Å; W586-K590 WeakPolarHBondContact O-CD 3.48Å; W586-K590 WeakPolarHBondContact O-CE 3.21Å; W586-K590 PolarHBondContact O-N 3.07Å; W586-K590 VanDerWaalsContact O-N 3.11Å; W586-K590 PolarHBondContact O-NZ 3.24Å
591M91.1Very high94.3Very high82 Ų8236.2 Ų36.240%0.40417%0.172SC..  trans-105.9123.4177.1-72.3-175.3172.700109.7F543 M585 K589F543-M591 HydrophobicContact CB-CB 4.22Å; M585-M591 HydrophobicContact CE-CB 4.25Å; M585-M591 HydrophobicContact CE-SD 4.09Å; M585-M591 PolarHBondContact O-N 2.93Å; K589-M591 HydrophobicContact CB-CB 4.37Å; K589-M591 HydrophobicContact CB-CG 3.92Å; K589-M591 HydrophobicContact CB-SD 4.16Å; K589-M591 PolarHBondContact O-N 2.75Å
592F92.9Very high94.3Very high23 Ų2336.2 Ų36.210%0.10117%0.172CC..  trans-81.4150.9170.953.6-97.6000110.5G544 H545 Y548 I550 W586G544-F592 PolarHBondContact N-O 2.72Å; H545-F592 HydrophobicContact CB-CE2 3.91Å; H545-F592 HydrophobicContact CB-CZ 4.2Å; Y548-F592 WeakPolarHBondContact O-CZ 3.4Å; I550-F592 WeakPolarHBondContact O-CD1 3.45Å; W586-F592 HydrophobicContact CE3-CB 4.46Å; W586-F592 HydrophobicContact CZ3-CB 4.22Å; W586-F592 HydrophobicContact CZ3-CD1 4.38Å
593P94.4Very high94.4Very high3 Ų334.4 Ų34.42%0.01916%0.164CC..BIsolated β-bridgetrans-69147.9171.229.5-35.6000110.9G542 F543 H555 E582 W597G542-P593 WeakPolarHBondContact O-CA 3.49Å; F543-P593 HydrophobicContact CD1-CB 4.08Å; F543-P593 HydrophobicContact CE1-CB 3.75Å; F543-P593 HydrophobicContact CE1-CG 4.31Å; F543-P593 HydrophobicContact CZ-CB 4.31Å; H555-P593 WeakPolarHBondContact CE1-CG 3.42Å; H555-P593 WeakPolarHBondContact NE2-CG 3.42Å; E582-P593 HydrophobicContact CB-CG 4.42Å; E582-P593 HydrophobicContact CG-CG 3.81Å; P593-W597 HydrophobicContact CB-CB 3.95Å; P593-W597 HydrophobicContact CB-CG 4.13Å
594N92.8Very high94.4Very high19 Ų1933.7 Ų33.710%0.10216%0.157CC..  trans-93.4175.7168.86639.9000110.6G542 G544 D596 W597G542-N594 PolarHBondContact O-N 2.92Å; G542-N594 PolarHBondContact O-ND2 2.94Å; G542-N594 PolarHBondContact O-OD1 3.48Å; G544-N594 PolarHBondContact O-ND2 3.33Å; N594-D596 PolarHBondContact O-N 3.29Å; N594-D596 VanDerWaalsContact O-N 3.1Å; N594-D596 VanDerWaalsContact OD1-CB 3.28Å; N594-D596 WeakPolarHBondContact OD1-CB 3.42Å; N594-D596 PolarHBondContact OD1-N 2.93Å; N594-D596 PolarHBondContact OD1-OD2 3.33Å; N594-W597 PolarHBondContact O-N 2.94Å
595L94.7Very high94.4Very high0 Ų035.7 Ų35.70%017%0.167CC..Hα-helixtrans-45.8-40.3178.1174.258.7000113.7L467 Y468 D552 R554 I558 W597 S599L467-L595 HydrophobicContact CB-CD1 3.97Å; L467-L595 HydrophobicContact CB-CD2 4Å; L467-L595 HydrophobicContact CD1-CD1 3.85Å; Y468-L595 HydrophobicContact CD1-CD2 3.48Å; Y468-L595 VanDerWaalsContact CD1-CD2 3.48Å; Y468-L595 HydrophobicContact CD1-CG 4.48Å; Y468-L595 HydrophobicContact CD2-CD2 3.99Å; Y468-L595 HydrophobicContact CE1-CD2 3.31Å; Y468-L595 HydrophobicContact CE1-CG 3.86Å; Y468-L595 HydrophobicContact CE2-CD2 3.86Å; Y468-L595 HydrophobicContact CE2-CG 4.06Å; Y468-L595 HydrophobicContact CG-CD2 3.82Å; D552-L595 PolarHBondContact OD2-N 3.25Å; R554-L595 HydrophobicContact CB-CB 4.19Å; R554-L595 HydrophobicContact CB-CD1 3.93Å; R554-L595 HydrophobicContact CB-CD2 4.38Å; R554-L595 HydrophobicContact CB-CG 4.39Å; I558-L595 HydrophobicContact CB-CD1 3.89Å; I558-L595 HydrophobicContact CG1-CD1 4.25Å; I558-L595 HydrophobicContact CG2-CD1 3.76Å; L595-W597 PolarHBondContact O-N 2.93Å; L595-S599 PolarHBondContact O-N 2.82Å; L595-S599 PolarHBondContact O-OG 2.8Å
596D93.1Very high94.5Very high17 Ų1735.5 Ų35.59%0.09117%0.166CC..Hα-helixtrans-65.4-27-169.8-58.9-45.7000113.4Y468 A509 N510 N594 A600Y468-D596 VanDerWaalsContact CE1-OD1 3.28Å; Y468-D596 WeakPolarHBondContact CE1-OD1 3.48Å; Y468-D596 PolarHBondContact OH-OD1 3.39Å; A509-D596 HydrophobicContact CB-CB 4.17Å; N510-D596 HydrophobicContact CB-CB 3.87Å; N594-D596 PolarHBondContact O-N 3.29Å; N594-D596 VanDerWaalsContact O-N 3.1Å; N594-D596 VanDerWaalsContact OD1-CB 3.28Å; N594-D596 WeakPolarHBondContact OD1-CB 3.42Å; N594-D596 PolarHBondContact OD1-N 2.93Å; N594-D596 PolarHBondContact OD1-OD2 3.33Å; D596-A600 PolarHBondContact O-N 3.35Å
597W94.9Very high94.6Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-62.6-50.5-173.6-168.1-111.8000112.8I516 Q517 I541 F543 A578 L581 P593 N594 L595I516-W597 HydrophobicContact CB-CH2 4.38Å; I516-W597 HydrophobicContact CD1-CZ3 4.46Å; I516-W597 HydrophobicContact CG2-CH2 3.94Å; Q517-W597 HydrophobicContact CG-CH2 3.93Å; Q517-W597 HydrophobicContact CG-CZ2 3.83Å; Q517-W597 VanDerWaalsContact NE2-CD2 3.3Å; Q517-W597 VanDerWaalsContact NE2-CE2 3.34Å; Q517-W597 PolarHBondContact NE2-O 3.31Å; I541-W597 VanDerWaalsContact O-CZ3 3.31Å; I541-W597 WeakPolarHBondContact O-CZ3 3.25Å; F543-W597 HydrophobicContact CD2-CD2 4.47Å; F543-W597 HydrophobicContact CD2-CE3 4.27Å; F543-W597 HydrophobicContact CD2-CZ3 4.34Å; F543-W597 AromaticContact CE2-CD2 3.64Å; F543-W597 HydrophobicContact CE2-CD2 3.64Å; F543-W597 AromaticContact CE2-CE2 3.55Å; F543-W597 AromaticContact CE2-CE3 3.75Å; F543-W597 HydrophobicContact CE2-CE3 3.75Å; F543-W597 HydrophobicContact CE2-CG 4.37Å; F543-W597 AromaticContact CE2-CH2 3.74Å; F543-W597 HydrophobicContact CE2-CH2 3.74Å; F543-W597 AromaticContact CE2-CZ2 3.63Å; F543-W597 HydrophobicContact CE2-CZ2 3.63Å; F543-W597 AromaticContact CE2-CZ3 3.79Å; F543-W597 HydrophobicContact CE2-CZ3 3.79Å; F543-W597 AromaticContact CZ-CD2 3.98Å; F543-W597 HydrophobicContact CZ-CD2 3.98Å; F543-W597 AromaticContact CZ-CE2 3.67Å; F543-W597 HydrophobicContact CZ-CG 4.34Å; F543-W597 HydrophobicContact CZ-CZ2 4.01Å; F543-W597 AromaticContact CZ-NE1 3.81Å; A578-W597 PolarHBondContact O-NE1 3.17Å; L581-W597 HydrophobicContact CB-CZ2 3.76Å; L581-W597 HydrophobicContact CD1-CH2 4.04Å; L581-W597 HydrophobicContact CD1-CZ2 3.72Å; L581-W597 HydrophobicContact CG-CZ2 4.39Å; P593-W597 HydrophobicContact CB-CB 3.95Å; P593-W597 HydrophobicContact CB-CG 4.13Å; N594-W597 PolarHBondContact O-N 2.94Å; L595-W597 PolarHBondContact O-N 2.93Å
598F96.9Very high94.8Very high0 Ų026.8 Ų26.80%014%0.143CC..Hα-helixtrans-92.9-14.3179-82.8-81.7000113.6H555 I558 K559 A562 Y575 A578 D579 E582 A600 V601 S602H555-F598 AromaticContact CE1-CD2 3.35Å; H555-F598 WeakPolarHBondContact CE1-CD2 3.48Å; H555-F598 AromaticContact CE1-CE2 3.5Å; H555-F598 AromaticContact ND1-CD2 3.66Å; I558-F598 HydrophobicContact CG1-CB 4.47Å; I558-F598 HydrophobicContact CG2-CB 3.86Å; K559-F598 HydrophobicContact CB-CB 4.43Å; K559-F598 HydrophobicContact CB-CD1 4.4Å; K559-F598 HydrophobicContact CB-CD2 4.07Å; K559-F598 HydrophobicContact CB-CE2 4.44Å; K559-F598 HydrophobicContact CB-CG 4.04Å; K559-F598 HydrophobicContact CD-CD2 4.3Å; K559-F598 HydrophobicContact CD-CE2 3.85Å; K559-F598 HydrophobicContact CD-CZ 3.98Å; K559-F598 HydrophobicContact CG-CD1 4.16Å; K559-F598 HydrophobicContact CG-CD2 4.11Å; K559-F598 HydrophobicContact CG-CE1 4.03Å; K559-F598 HydrophobicContact CG-CE2 4Å; K559-F598 HydrophobicContact CG-CG 4.18Å; K559-F598 HydrophobicContact CG-CZ 3.94Å; A562-F598 HydrophobicContact CB-CB 4.23Å; A562-F598 HydrophobicContact CB-CD1 3.76Å; A562-F598 HydrophobicContact CB-CG 4.46Å; Y575-F598 HydrophobicContact CD2-CD1 4.26Å; Y575-F598 AromaticContact CD2-CE1 3.77Å; Y575-F598 HydrophobicContact CD2-CE1 3.77Å; Y575-F598 HydrophobicContact CE2-CD1 4.27Å; Y575-F598 AromaticContact CE2-CE1 3.69Å; Y575-F598 HydrophobicContact CE2-CE1 3.69Å; A578-F598 HydrophobicContact CB-CD1 4.37Å; A578-F598 HydrophobicContact CB-CE1 3.76Å; A578-F598 HydrophobicContact CB-CZ 3.89Å; D579-F598 HydrophobicContact CB-CZ 4.29Å; E582-F598 VanDerWaalsContact OE2-CE2 3.24Å; E582-F598 WeakPolarHBondContact OE2-CE2 3.17Å; F598-A600 PolarHBondContact O-N 3.31Å; F598-V601 HydrophobicContact CD1-CG2 4.17Å; F598-V601 PolarHBondContact O-N 3.1Å; F598-S602 PolarHBondContact O-N 2.99Å; F598-S602 PolarHBondContact O-OG 3.02Å
599S96.3Very high95Very high0 Ų026.7 Ų26.70%014%0.141CC..Hα-helixtrans-58.4-40.8164.5-67.70000110.8Y468 L595 V601 S602 Y603Y468-S599 WeakPolarHBondContact CE2-OG 3.49Å; Y468-S599 WeakPolarHBondContact OH-CB 3.35Å; Y468-S599 PolarHBondContact OH-OG 3.41Å; Y468-S599 VanDerWaalsContact OH-OG 3.06Å; L595-S599 PolarHBondContact O-N 2.82Å; L595-S599 PolarHBondContact O-OG 2.8Å; S599-V601 PolarHBondContact O-N 2.78Å; S599-S602 PolarHBondContact O-N 3.1Å; S599-Y603 VanDerWaalsContact O-CD2 3.3Å; S599-Y603 WeakPolarHBondContact O-CD2 3.48Å; S599-Y603 PolarHBondContact O-N 3.43Å
600A95.1Very high95.1Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-56.1-49.617700000112.3N510 L514 D596 F598 S602 Y603 N604 F613N510-A600 WeakPolarHBondContact O-CB 3.38Å; L514-A600 HydrophobicContact CB-CB 4.02Å; L514-A600 HydrophobicContact CD1-CB 3.91Å; L514-A600 VanDerWaalsContact CD1-O 3.28Å; L514-A600 WeakPolarHBondContact CD1-O 3.49Å; D596-A600 PolarHBondContact O-N 3.35Å; F598-A600 PolarHBondContact O-N 3.31Å; A600-S602 VanDerWaalsContact C-N 3.35Å; A600-S602 PolarHBondContact O-N 2.92Å; A600-Y603 PolarHBondContact O-N 3.48Å; A600-N604 WeakPolarHBondContact O-CB 3.48Å; A600-N604 PolarHBondContact O-N 3.29Å; A600-F613 HydrophobicContact CB-CE2 4.12Å
601V96.8Very high95.2Very high0 Ų022.8 Ų22.80%013%0.13CC..Hα-helixtrans-59.2-47175.8-175.70000110.8Q517 A562 M574 A578 F598 S599 Y603 N604 M605Q517-V601 VanDerWaalsContact OE1-CG2 3.22Å; A562-V601 HydrophobicContact CB-CB 4.06Å; A562-V601 HydrophobicContact CB-CG1 4.06Å; M574-V601 HydrophobicContact CG-CG1 4.32Å; M574-V601 HydrophobicContact CG-CG2 4.19Å; A578-V601 HydrophobicContact CB-CG2 3.87Å; F598-V601 HydrophobicContact CD1-CG2 4.17Å; F598-V601 PolarHBondContact O-N 3.1Å; S599-V601 PolarHBondContact O-N 2.78Å; V601-Y603 PolarHBondContact O-N 2.87Å; V601-N604 PolarHBondContact O-N 3.13Å; V601-M605 HydrophobicContact CG1-CG 4.4Å; V601-M605 VanDerWaalsContact O-CG 3.3Å; V601-M605 WeakPolarHBondContact O-CG 3.04Å; V601-M605 PolarHBondContact O-N 3.27Å
602S97.4Very high95.4Very high1 Ų119 Ų191%0.00711%0.111CC..Hα-helixtrans-60.2-48.6-177.9-55.90000111.9A562 F598 S599 A600 M605 M606A562-S602 WeakPolarHBondContact CA-OG 3.47Å; A562-S602 WeakPolarHBondContact CB-OG 3.23Å; A562-S602 PolarHBondContact N-OG 3.19Å; F598-S602 PolarHBondContact O-N 2.99Å; F598-S602 PolarHBondContact O-OG 3.02Å; S599-S602 PolarHBondContact O-N 3.1Å; A600-S602 VanDerWaalsContact C-N 3.35Å; A600-S602 PolarHBondContact O-N 2.92Å; S602-M605 PolarHBondContact O-N 2.69Å; S602-M606 WeakPolarHBondContact O-CE 3.35Å; S602-M606 PolarHBondContact O-N 3.35Å
603Y97.3Very high95.6Very high0 Ų017.9 Ų17.90%011%0.106CC..Hα-helixtrans-66.1-37.9179.6-65.2-36.1000112.6M461 S464 Y468 S599 A600 V601 M606 G607 V608 F613 L616M461-Y603 HydrophobicContact SD-CE1 4.18Å; S464-Y603 PolarHBondContact OG-OH 2.9Å; Y468-Y603 HydrophobicContact CE2-CE2 4.45Å; S599-Y603 VanDerWaalsContact O-CD2 3.3Å; S599-Y603 WeakPolarHBondContact O-CD2 3.48Å; S599-Y603 PolarHBondContact O-N 3.43Å; A600-Y603 PolarHBondContact O-N 3.48Å; V601-Y603 PolarHBondContact O-N 2.87Å; Y603-M606 HydrophobicContact CD1-CE 3.73Å; Y603-M606 HydrophobicContact CE1-CE 4.31Å; Y603-M606 CarbonylContact O-C 3.58Å; Y603-M606 PolarHBondContact O-N 2.93Å; Y603-G607 PolarHBondContact O-N 3.15Å; Y603-V608 WeakPolarHBondContact O-CB 3.39Å; Y603-V608 PolarHBondContact O-N 3.08Å; Y603-F613 HydrophobicContact CD2-CB 4.15Å; Y603-F613 AromaticContact CD2-CD1 3.87Å; Y603-F613 HydrophobicContact CD2-CD1 3.87Å; Y603-F613 HydrophobicContact CD2-CD2 4.12Å; Y603-F613 HydrophobicContact CD2-CE1 4.28Å; Y603-F613 HydrophobicContact CD2-CE2 4.47Å; Y603-F613 AromaticContact CD2-CG 3.79Å; Y603-F613 HydrophobicContact CD2-CG 3.79Å; Y603-F613 HydrophobicContact CG-CD1 4.13Å; Y603-F613 HydrophobicContact CG-CE1 4.19Å; Y603-F613 HydrophobicContact CG-CG 4.49Å; Y603-L616 HydrophobicContact CD1-CD1 3.72Å; Y603-L616 HydrophobicContact CE1-CD1 3.57Å; Y603-L616 HydrophobicContact CE2-CD1 4.37Å; Y603-L616 HydrophobicContact CG-CD1 4.22Å
604N96Very high95.7Very high50 Ų5017.9 Ų17.927%0.26711%0.106SC..Hα-helixtrans-64-41.4175-177.9-105.6000112.5L514 M574 A600 V601 M606 G607 F613L514-N604 HydrophobicContact CD1-CB 3.65Å; M574-N604 HydrophobicContact SD-CB 4.2Å; A600-N604 WeakPolarHBondContact O-CB 3.48Å; A600-N604 PolarHBondContact O-N 3.29Å; V601-N604 PolarHBondContact O-N 3.13Å; N604-M606 PolarHBondContact O-N 3.44Å; N604-G607 PolarHBondContact O-N 3.18Å; N604-F613 HydrophobicContact CB-CZ 4.49Å
605M95.9Very high95.9Very high43 Ų4317 Ų1721%0.21210%0.101CC..Hα-helixtrans-64.9-26.6175.9-66.5-61.194.400113W457 L565 V601 S602 G607W457-M605 WeakPolarHBondContact CZ2-O 3.35Å; L565-M605 HydrophobicContact CB-CB 3.85Å; L565-M605 HydrophobicContact CB-CG 4.29Å; V601-M605 HydrophobicContact CG1-CG 4.4Å; V601-M605 VanDerWaalsContact O-CG 3.3Å; V601-M605 WeakPolarHBondContact O-CG 3.04Å; V601-M605 PolarHBondContact O-N 3.27Å; S602-M605 PolarHBondContact O-N 2.69Å; M605-G607 VanDerWaalsContact C-N 3.27Å
606M97.2Very high96Very high1 Ų117 Ų171%0.00510%0.101CC..THydrogen-bonded Turntrans-86.89.7172.8-65.4-175.9-69.400113.2L445 H449 W457 A460 M461 L565 S602 Y603 N604 V608L445-M606 HydrophobicContact CD1-SD 4.45Å; L445-M606 HydrophobicContact CD2-CB 4.45Å; H449-M606 PolarHBondContact CE1-O 3.46Å; H449-M606 PolarHBondContact NE2-O 3.39Å; H449-M606 VanDerWaalsContact NE2-O 3.14Å; W457-M606 HydrophobicContact CB-CG 4.31Å; W457-M606 HydrophobicContact CB-SD 4.07Å; W457-M606 HydrophobicContact CD2-CB 4.06Å; W457-M606 HydrophobicContact CD2-CG 3.81Å; W457-M606 HydrophobicContact CE3-CB 3.96Å; W457-M606 HydrophobicContact CE3-CG 4.19Å; W457-M606 HydrophobicContact CG-CG 3.86Å; W457-M606 HydrophobicContact CG-SD 4.26Å; W457-M606 WeakPolarHBondContact CH2-O 3.31Å; W457-M606 HydrophobicContact CZ3-CB 4.2Å; W457-M606 WeakPolarHBondContact CZ3-O 3.38Å; A460-M606 HydrophobicContact CB-CE 4.46Å; A460-M606 HydrophobicContact CB-SD 3.93Å; M461-M606 HydrophobicContact CG-CE 4.33Å; M461-M606 HydrophobicContact CG-SD 4.1Å; M461-M606 HydrophobicContact SD-CE 3.86Å; M461-M606 HydrophobicContact SD-SD 4.37Å; L565-M606 HydrophobicContact CD1-CE 4.3Å; L565-M606 HydrophobicContact CD1-CG 4.02Å; L565-M606 HydrophobicContact CD1-SD 4.2Å; L565-M606 HydrophobicContact CD2-CG 4.19Å; S602-M606 WeakPolarHBondContact O-CE 3.35Å; S602-M606 PolarHBondContact O-N 3.35Å; Y603-M606 HydrophobicContact CD1-CE 3.73Å; Y603-M606 HydrophobicContact CE1-CE 4.31Å; Y603-M606 CarbonylContact O-C 3.58Å; Y603-M606 PolarHBondContact O-N 2.93Å; N604-M606 PolarHBondContact O-N 3.44Å; M606-V608 HydrophobicContact CB-CG2 4.25Å; M606-V608 PolarHBondContact O-N 3.42Å
607G96.2Very high96.2Very high44 Ų4416.5 Ų16.545%0.45410%0.098SC..THydrogen-bonded Turntrans67.420.6177.600000114.5Y603 N604 M605Y603-G607 PolarHBondContact O-N 3.15Å; N604-G607 PolarHBondContact O-N 3.18Å; M605-G607 VanDerWaalsContact C-N 3.27Å
608V97.4Very high96.4Very high4 Ų416.5 Ų16.52%0.02410%0.098CC..  trans-75.3128.2176.6-177.40000109.2F444 L445 L448 Y603 M606 M612 F613 L616F444-V608 HydrophobicContact CE1-CG1 4.29Å; F444-V608 HydrophobicContact CE1-CG2 4.14Å; F444-V608 HydrophobicContact CZ-CG1 4.26Å; L445-V608 HydrophobicContact CD2-CG2 4.24Å; L448-V608 HydrophobicContact CD2-CB 4.41Å; L448-V608 HydrophobicContact CD2-CG2 4.12Å; Y603-V608 WeakPolarHBondContact O-CB 3.39Å; Y603-V608 PolarHBondContact O-N 3.08Å; M606-V608 HydrophobicContact CB-CG2 4.25Å; M606-V608 PolarHBondContact O-N 3.42Å; V608-M612 HydrophobicContact CG1-CB 3.91Å; V608-F613 HydrophobicContact CB-CD1 4.45Å; V608-F613 HydrophobicContact CB-CE1 4.04Å; V608-F613 HydrophobicContact CG1-CD1 3.97Å; V608-F613 HydrophobicContact CG1-CE1 4.02Å; V608-F613 WeakPolarHBondContact O-CE1 3.33Å; V608-L616 HydrophobicContact CG1-CD1 3.91Å; V608-L616 HydrophobicContact CG2-CD1 4.29Å
609P95.6Very high96.5Very high40 Ų4016.6 Ų16.626%0.2610%0.099SC..  trans-58.9139173.3-24.333.8000111.4L448 E611 M612 F613L448-P609 HydrophobicContact CD1-CG 4.27Å; P609-E611 VanDerWaalsContact C-N 3.27Å; P609-E611 PolarHBondContact O-N 3.1Å; P609-M612 HydrophobicContact CB-CG 4.27Å; P609-M612 HydrophobicContact CB-SD 4.46Å; P609-M612 HydrophobicContact CG-CE 4.28Å; P609-M612 HydrophobicContact CG-SD 4.07Å; P609-M612 WeakPolarHBondContact O-CB 3.42Å; P609-M612 PolarHBondContact O-N 3.14Å; P609-F613 WeakPolarHBondContact O-CD1 3.45Å
610T94.1Very high96.6Very high46 Ų4616.6 Ų16.628%0.28210%0.099SC..G310 helixtrans-52.7-44.4-175.7-480000112.4E511 L514 M612 F613E511-T610 HydrophobicContact CB-CG2 4.13Å; E511-T610 HydrophobicContact CG-CG2 4.39Å; E511-T610 WeakPolarHBondContact CG-O 3.23Å; L514-T610 HydrophobicContact CB-CG2 4.25Å; L514-T610 HydrophobicContact CD2-CG2 3.7Å; L514-T610 WeakPolarHBondContact CD2-OG1 3.43Å; T610-M612 PolarHBondContact O-N 3.28Å; T610-F613 HydrophobicContact CG2-CD2 4.5Å; T610-F613 HydrophobicContact CG2-CE2 4.42Å; T610-F613 WeakPolarHBondContact O-CB 3.44Å; T610-F613 WeakPolarHBondContact O-CD1 3.32Å; T610-F613 VanDerWaalsContact O-CG 3.3Å; T610-F613 WeakPolarHBondContact O-CG 3.48Å; T610-F613 PolarHBondContact O-N 3.37Å
611E93.2Very high96.8Very high106 Ų10616.7 Ų16.750%0.49510%0.099SC..G310 helixtrans-64.6-10.1-179.1-53.9-168.7175.500114.2P377 P609 P615P377-E611 WeakPolarHBondContact CB-O 3.31Å; P377-E611 WeakPolarHBondContact CD-OE2 3.49Å; P377-E611 HydrophobicContact CG-CB 3.75Å; P377-E611 WeakPolarHBondContact CG-O 3.35Å; P609-E611 VanDerWaalsContact C-N 3.27Å; P609-E611 PolarHBondContact O-N 3.1Å; E611-P615 VanDerWaalsContact O-CD 3.31Å; E611-P615 WeakPolarHBondContact O-CD 3.22Å
612M96.3Very high96.9Very high2 Ų216.7 Ų16.71%0.0110%0.099CC..G310 helixtrans-95.1-1.7176.2-61.8-171.3-177.500113.8L418 L419 Y422 F444 L448 V608 P609 T610 P615 L616L418-M612 HydrophobicContact CD2-CB 4.41Å; L418-M612 HydrophobicContact CD2-CG 4.11Å; L418-M612 HydrophobicContact CD2-SD 4.06Å; L419-M612 HydrophobicContact CD2-CE 3.86Å; L419-M612 HydrophobicContact CD2-SD 3.79Å; Y422-M612 HydrophobicContact CD1-CE 3.77Å; Y422-M612 HydrophobicContact CD2-CE 3.27Å; Y422-M612 HydrophobicContact CE1-CE 4.15Å; Y422-M612 HydrophobicContact CE2-CE 3.69Å; Y422-M612 HydrophobicContact CG-CE 3.3Å; F444-M612 HydrophobicContact CZ-SD 4.44Å; L448-M612 HydrophobicContact CD1-CE 4.37Å; L448-M612 HydrophobicContact CD1-SD 4.01Å; V608-M612 HydrophobicContact CG1-CB 3.91Å; P609-M612 HydrophobicContact CB-CG 4.27Å; P609-M612 HydrophobicContact CB-SD 4.46Å; P609-M612 HydrophobicContact CG-CE 4.28Å; P609-M612 HydrophobicContact CG-SD 4.07Å; P609-M612 WeakPolarHBondContact O-CB 3.42Å; P609-M612 PolarHBondContact O-N 3.14Å; T610-M612 PolarHBondContact O-N 3.28Å; M612-P615 VanDerWaalsContact C-CD 3.44Å; M612-P615 WeakPolarHBondContact O-CD 3.36Å; M612-L616 PolarHBondContact O-N 2.92Å
613F95.9Very high96.9Very high0 Ų016.7 Ų16.70%010%0.099CC..Hα-helixtrans-67-43.5179.5-66.95.9000111.8N510 E511 L514 A600 Y603 N604 V608 P609 T610 L616 F617N510-F613 HydrophobicContact CB-CB 4.4Å; N510-F613 HydrophobicContact CB-CD2 4.39Å; N510-F613 PolarHBondContact ND2-O 2.93Å; E511-F613 HydrophobicContact CG-CB 3.88Å; E511-F613 HydrophobicContact CG-CG 4.49Å; L514-F613 HydrophobicContact CB-CE2 3.9Å; L514-F613 HydrophobicContact CD1-CE2 3.89Å; L514-F613 HydrophobicContact CD1-CZ 4.12Å; L514-F613 HydrophobicContact CD2-CE2 3.76Å; L514-F613 HydrophobicContact CD2-CZ 3.75Å; L514-F613 HydrophobicContact CG-CE2 4.07Å; L514-F613 HydrophobicContact CG-CZ 4.42Å; A600-F613 HydrophobicContact CB-CE2 4.12Å; Y603-F613 HydrophobicContact CD2-CB 4.15Å; Y603-F613 AromaticContact CD2-CD1 3.87Å; Y603-F613 HydrophobicContact CD2-CD1 3.87Å; Y603-F613 HydrophobicContact CD2-CD2 4.12Å; Y603-F613 HydrophobicContact CD2-CE1 4.28Å; Y603-F613 HydrophobicContact CD2-CE2 4.47Å; Y603-F613 AromaticContact CD2-CG 3.79Å; Y603-F613 HydrophobicContact CD2-CG 3.79Å; Y603-F613 HydrophobicContact CG-CD1 4.13Å; Y603-F613 HydrophobicContact CG-CE1 4.19Å; Y603-F613 HydrophobicContact CG-CG 4.49Å; N604-F613 HydrophobicContact CB-CZ 4.49Å; V608-F613 HydrophobicContact CB-CD1 4.45Å; V608-F613 HydrophobicContact CB-CE1 4.04Å; V608-F613 HydrophobicContact CG1-CD1 3.97Å; V608-F613 HydrophobicContact CG1-CE1 4.02Å; V608-F613 WeakPolarHBondContact O-CE1 3.33Å; P609-F613 WeakPolarHBondContact O-CD1 3.45Å; T610-F613 HydrophobicContact CG2-CD2 4.5Å; T610-F613 HydrophobicContact CG2-CE2 4.42Å; T610-F613 WeakPolarHBondContact O-CB 3.44Å; T610-F613 WeakPolarHBondContact O-CD1 3.32Å; T610-F613 VanDerWaalsContact O-CG 3.3Å; T610-F613 WeakPolarHBondContact O-CG 3.48Å; T610-F613 PolarHBondContact O-N 3.37Å; F613-L616 PolarHBondContact O-N 3.33Å; F613-F617 PolarHBondContact O-N 2.95Å
614T95.9Very high97Very high2 Ų216.7 Ų16.71%0.01210%0.099CC..Hα-helixtrans-68.6-39.4174.3-46.50000112.2M378 L501 E511 L616 F617 V618M378-T614 HydrophobicContact CE-CG2 3.71Å; M378-T614 HydrophobicContact CG-CG2 3.97Å; M378-T614 HydrophobicContact SD-CG2 3.56Å; M378-T614 VanDerWaalsContact SD-CG2 3.56Å; L501-T614 HydrophobicContact CD2-CG2 4.24Å; L501-T614 HydrophobicContact CG-CG2 4.06Å; E511-T614 VanDerWaalsContact OE1-CB 3.25Å; E511-T614 WeakPolarHBondContact OE1-CB 3.39Å; E511-T614 PolarHBondContact OE1-N 2.82Å; E511-T614 PolarHBondContact OE1-OG1 2.86Å; T614-L616 VanDerWaalsContact C-N 3.34Å; T614-L616 PolarHBondContact O-N 3.1Å; T614-F617 CarbonylContact O-C 3.55Å; T614-F617 WeakPolarHBondContact O-CA 3.46Å; T614-F617 WeakPolarHBondContact O-CB 3.49Å; T614-F617 PolarHBondContact O-N 2.93Å; T614-F617 VanDerWaalsContact O-N 3.09Å; T614-V618 PolarHBondContact O-N 3.5Å
615P97.9Very high97.1Very high0 Ų014.3 Ų14.30%09%0.086CC..Hα-helixtrans-57.3-37.4169-3135000115.5P377 M378 M381 L418 E611 M612 F617 V618 I619P377-P615 HydrophobicContact CB-CG 3.52Å; M378-P615 HydrophobicContact CG-CG 4.43Å; M378-P615 HydrophobicContact SD-CG 4.09Å; M381-P615 HydrophobicContact CE-CB 4.28Å; M381-P615 HydrophobicContact CG-CB 4.2Å; M381-P615 HydrophobicContact CG-CG 4.48Å; L418-P615 HydrophobicContact CD1-CB 4.47Å; L418-P615 HydrophobicContact CD2-CB 3.62Å; L418-P615 HydrophobicContact CD2-CG 4.34Å; E611-P615 VanDerWaalsContact O-CD 3.31Å; E611-P615 WeakPolarHBondContact O-CD 3.22Å; M612-P615 VanDerWaalsContact C-CD 3.44Å; M612-P615 WeakPolarHBondContact O-CD 3.36Å; P615-F617 VanDerWaalsContact C-N 3.29Å; P615-F617 PolarHBondContact O-N 3.05Å; P615-V618 WeakPolarHBondContact O-CA 3.34Å; P615-V618 VanDerWaalsContact O-CB 3.31Å; P615-V618 WeakPolarHBondContact O-CB 3.42Å; P615-V618 PolarHBondContact O-N 3.26Å; P615-V618 VanDerWaalsContact O-N 3.11Å; P615-I619 WeakPolarHBondContact O-CG1 3.47Å; P615-I619 PolarHBondContact O-N 3.31Å
616L97.7Very high97.3Very high0 Ų012.2 Ų12.20%08%0.076CC..Hα-helixtrans-62.9-38171.6-83.7179.4000112F444 M461 Y603 V608 M612 F613 T614 V618 I619 A620F444-L616 HydrophobicContact CD1-CD2 3.75Å; F444-L616 HydrophobicContact CD2-CD2 3.64Å; F444-L616 HydrophobicContact CE1-CD1 3.93Å; F444-L616 HydrophobicContact CE1-CD2 3.67Å; F444-L616 HydrophobicContact CE1-CG 4.02Å; F444-L616 HydrophobicContact CE2-CD2 3.53Å; F444-L616 HydrophobicContact CE2-CG 3.99Å; F444-L616 HydrophobicContact CG-CD2 3.75Å; F444-L616 HydrophobicContact CZ-CD1 4.02Å; F444-L616 HydrophobicContact CZ-CD2 3.57Å; F444-L616 HydrophobicContact CZ-CG 3.7Å; M461-L616 HydrophobicContact CE-CD1 4.27Å; M461-L616 HydrophobicContact CE-CD2 3.54Å; M461-L616 HydrophobicContact SD-CD1 4.45Å; Y603-L616 HydrophobicContact CD1-CD1 3.72Å; Y603-L616 HydrophobicContact CE1-CD1 3.57Å; Y603-L616 HydrophobicContact CE2-CD1 4.37Å; Y603-L616 HydrophobicContact CG-CD1 4.22Å; V608-L616 HydrophobicContact CG1-CD1 3.91Å; V608-L616 HydrophobicContact CG2-CD1 4.29Å; M612-L616 PolarHBondContact O-N 2.92Å; F613-L616 PolarHBondContact O-N 3.33Å; T614-L616 VanDerWaalsContact C-N 3.34Å; T614-L616 PolarHBondContact O-N 3.1Å; L616-V618 VanDerWaalsContact C-N 3.34Å; L616-V618 PolarHBondContact O-N 2.95Å; L616-I619 HydrophobicContact CD2-CD1 4.07Å; L616-I619 PolarHBondContact O-N 3.29Å; L616-A620 PolarHBondContact O-N 2.99Å; L616-A620 VanDerWaalsContact O-N 3.11Å
617F97Very high97.3Very high8 Ų812.4 Ų12.44%0.0358%0.077CC..Hα-helixtrans-58.4-47170-162.9146.1000110Y468 L501 F613 T614 P615 I619 A620 R621Y468-F617 AromaticContact CD1-CD1 3.45Å; Y468-F617 HydrophobicContact CD1-CD1 3.45Å; Y468-F617 VanDerWaalsContact CD1-CD1 3.45Å; Y468-F617 AromaticContact CD1-CD2 3.91Å; Y468-F617 HydrophobicContact CD1-CD2 3.91Å; Y468-F617 AromaticContact CD1-CE1 3.43Å; Y468-F617 HydrophobicContact CD1-CE1 3.43Å; Y468-F617 VanDerWaalsContact CD1-CE1 3.43Å; Y468-F617 AromaticContact CD1-CE2 3.9Å; Y468-F617 HydrophobicContact CD1-CE2 3.9Å; Y468-F617 AromaticContact CD1-CG 3.69Å; Y468-F617 HydrophobicContact CD1-CG 3.69Å; Y468-F617 AromaticContact CD1-CZ 3.66Å; Y468-F617 HydrophobicContact CD1-CZ 3.66Å; Y468-F617 AromaticContact CE1-CD1 3.28Å; Y468-F617 HydrophobicContact CE1-CD1 3.28Å; Y468-F617 AromaticContact CE1-CE1 3.28Å; Y468-F617 HydrophobicContact CE1-CE1 3.28Å; Y468-F617 AromaticContact CE1-CG 3.96Å; Y468-F617 HydrophobicContact CE1-CG 3.96Å; Y468-F617 AromaticContact CE1-CZ 3.97Å; Y468-F617 HydrophobicContact CE1-CZ 3.97Å; Y468-F617 HydrophobicContact CG-CD1 4.38Å; Y468-F617 HydrophobicContact CG-CD2 4.44Å; Y468-F617 HydrophobicContact CG-CG 4.26Å; L501-F617 HydrophobicContact CD1-CD1 4.38Å; L501-F617 HydrophobicContact CD1-CD2 4.06Å; L501-F617 HydrophobicContact CD1-CE1 4.16Å; L501-F617 HydrophobicContact CD1-CE2 3.82Å; L501-F617 HydrophobicContact CD1-CG 4.36Å; L501-F617 HydrophobicContact CD1-CZ 3.89Å; L501-F617 HydrophobicContact CD2-CB 4.15Å; L501-F617 HydrophobicContact CD2-CD2 3.67Å; L501-F617 HydrophobicContact CD2-CE2 4.19Å; L501-F617 HydrophobicContact CD2-CG 3.97Å; F613-F617 PolarHBondContact O-N 2.95Å; T614-F617 CarbonylContact O-C 3.55Å; T614-F617 WeakPolarHBondContact O-CA 3.46Å; T614-F617 WeakPolarHBondContact O-CB 3.49Å; T614-F617 PolarHBondContact O-N 2.93Å; T614-F617 VanDerWaalsContact O-N 3.09Å; P615-F617 VanDerWaalsContact C-N 3.29Å; P615-F617 PolarHBondContact O-N 3.05Å; F617-I619 VanDerWaalsContact C-N 3.32Å; F617-I619 PolarHBondContact O-N 3.45Å; F617-A620 PolarHBondContact O-N 3.22Å; F617-R621 HydrophobicContact CD2-CB 3.74Å; F617-R621 HydrophobicContact CD2-CG 4.39Å; F617-R621 HydrophobicContact CE2-CB 3.8Å; F617-R621 HydrophobicContact CE2-CG 3.98Å; F617-R621 VanDerWaalsContact CZ-NH2 3.28Å; F617-R621 VanDerWaalsContact O-CB 3.26Å; F617-R621 WeakPolarHBondContact O-CB 3.44Å; F617-R621 PolarHBondContact O-N 3.28Å
618V98.5Very high97.4Very high0 Ų010.3 Ų10.30%06%0.056CC..Hα-helixtrans-54.4-47175.9171.80000111.7M378 M381 L414 I498 L501 T614 P615 L616 A620 R621 V622 W625M378-V618 HydrophobicContact CE-CG2 3.55Å; M378-V618 HydrophobicContact SD-CG2 3.58Å; M378-V618 VanDerWaalsContact SD-CG2 3.58Å; M381-V618 HydrophobicContact CE-CB 4.08Å; M381-V618 HydrophobicContact CE-CG1 3.79Å; L414-V618 HydrophobicContact CD1-CG1 4.18Å; L414-V618 HydrophobicContact CD2-CG1 4.26Å; I498-V618 HydrophobicContact CD1-CG1 4.1Å; I498-V618 HydrophobicContact CG1-CG1 3.94Å; I498-V618 HydrophobicContact CG1-CG2 4.24Å; L501-V618 HydrophobicContact CD2-CG2 3.75Å; T614-V618 PolarHBondContact O-N 3.5Å; P615-V618 WeakPolarHBondContact O-CA 3.34Å; P615-V618 VanDerWaalsContact O-CB 3.31Å; P615-V618 WeakPolarHBondContact O-CB 3.42Å; P615-V618 PolarHBondContact O-N 3.26Å; P615-V618 VanDerWaalsContact O-N 3.11Å; L616-V618 VanDerWaalsContact C-N 3.34Å; L616-V618 PolarHBondContact O-N 2.95Å; V618-A620 VanDerWaalsContact C-N 3.31Å; V618-A620 PolarHBondContact O-N 2.76Å; V618-R621 PolarHBondContact O-N 2.86Å; V618-V622 PolarHBondContact O-N 3.28Å; V618-W625 HydrophobicContact CG1-CZ3 4.07Å; V618-W625 HydrophobicContact CG2-CH2 4.17Å; V618-W625 HydrophobicContact CG2-CZ3 4.49Å
619I98.6Very high97.5Very high1 Ų110.1 Ų10.11%0.0056%0.055CC..Hα-helixtrans-59.3-42.4-179.9-69.2159.1000111.1M381 L414 S415 I440 F444 L465 P615 L616 F617 V622M381-I619 HydrophobicContact CE-CD1 4.4Å; M381-I619 HydrophobicContact CE-CG1 4.01Å; L414-I619 HydrophobicContact CB-CG1 3.82Å; S415-I619 WeakPolarHBondContact OG-CD1 3.03Å; I440-I619 HydrophobicContact CG2-CG2 3.58Å; F444-I619 HydrophobicContact CD2-CD1 3.75Å; F444-I619 HydrophobicContact CE2-CD1 4.09Å; L465-I619 HydrophobicContact CD2-CG2 4.27Å; P615-I619 WeakPolarHBondContact O-CG1 3.47Å; P615-I619 PolarHBondContact O-N 3.31Å; L616-I619 HydrophobicContact CD2-CD1 4.07Å; L616-I619 PolarHBondContact O-N 3.29Å; F617-I619 VanDerWaalsContact C-N 3.32Å; F617-I619 PolarHBondContact O-N 3.45Å; I619-V622 WeakPolarHBondContact O-CG1 3.28Å
620A98.5Very high97.6Very high0 Ų08.9 Ų8.90%05%0.046CC..Hα-helixtrans-67.6-53.9174.900000112.1L465 Y468 L616 F617 V618 V622 T623L465-A620 HydrophobicContact CB-CB 4.28Å; L465-A620 HydrophobicContact CD2-CB 3.75Å; L465-A620 WeakPolarHBondContact O-CB 3.42Å; Y468-A620 VanDerWaalsContact CB-CB 3.43Å; L616-A620 PolarHBondContact O-N 2.99Å; L616-A620 VanDerWaalsContact O-N 3.11Å; F617-A620 PolarHBondContact O-N 3.22Å; V618-A620 VanDerWaalsContact C-N 3.31Å; V618-A620 PolarHBondContact O-N 2.76Å; A620-V622 VanDerWaalsContact C-N 3.3Å; A620-V622 PolarHBondContact O-N 3.32Å; A620-T623 PolarHBondContact O-N 3.23Å; A620-T623 PolarHBondContact O-OG1 2.97Å
621R98.6Very high97.7Very high2 Ų28 Ų81%0.0084%0.038CC..Hα-helixtrans-74.4-16.3-166.8-175.658.257.879.28.3113.7Y468 A469 N474 F617 V618 T623 G624 W625Y468-R621 PolarHBondContact O-NE 3.47Å; Y468-R621 PolarHBondContact O-NH2 2.72Å; A469-R621 WeakPolarHBondContact O-CD 3.4Å; N474-R621 PolarHBondContact ND2-NH1 3.12Å; F617-R621 HydrophobicContact CD2-CB 3.74Å; F617-R621 HydrophobicContact CD2-CG 4.39Å; F617-R621 HydrophobicContact CE2-CB 3.8Å; F617-R621 HydrophobicContact CE2-CG 3.98Å; F617-R621 VanDerWaalsContact CZ-NH2 3.28Å; F617-R621 VanDerWaalsContact O-CB 3.26Å; F617-R621 WeakPolarHBondContact O-CB 3.44Å; F617-R621 PolarHBondContact O-N 3.28Å; V618-R621 PolarHBondContact O-N 2.86Å; R621-T623 PolarHBondContact O-N 3.37Å; R621-T623 VanDerWaalsContact O-N 3.14Å; R621-G624 PolarHBondContact O-N 3.38Å; R621-G624 VanDerWaalsContact O-N 3.15Å; R621-W625 HydrophobicContact CB-CD2 4.43Å; R621-W625 HydrophobicContact CB-CH2 4.42Å; R621-W625 HydrophobicContact CB-CZ2 4.13Å; R621-W625 HydrophobicContact CG-CD2 3.77Å; R621-W625 HydrophobicContact CG-CE3 4.47Å; R621-W625 HydrophobicContact CG-CG 4.1Å; R621-W625 HydrophobicContact CG-CH2 4.31Å; R621-W625 HydrophobicContact CG-CZ2 3.56Å; R621-W625 VanDerWaalsContact CG-NE1 3.29Å; R621-W625 PolarHBondContact O-N 3.37Å
622V98.8Very high97.9Very high1 Ų13.1 Ų3.11%0.0062%0.016CC..Hα-helixtrans-55.9-30.4173.478.40000112L410 L411 L414 I494 V618 I619 A620 W625 A626L410-V622 HydrophobicContact CB-CG2 4.05Å; L410-V622 HydrophobicContact CD1-CG2 4.45Å; L411-V622 HydrophobicContact CB-CG1 4.2Å; L411-V622 HydrophobicContact CD1-CG1 3.78Å; L414-V622 HydrophobicContact CD1-CB 3.94Å; L414-V622 HydrophobicContact CD1-CG1 3.94Å; L414-V622 HydrophobicContact CD1-CG2 4.02Å; I494-V622 HydrophobicContact CD1-CG2 4.02Å; I494-V622 HydrophobicContact CG2-CG2 4.36Å; V618-V622 PolarHBondContact O-N 3.28Å; I619-V622 WeakPolarHBondContact O-CG1 3.28Å; A620-V622 VanDerWaalsContact C-N 3.3Å; A620-V622 PolarHBondContact O-N 3.32Å; V622-W625 HydrophobicContact CB-CE3 4.46Å; V622-A626 WeakPolarHBondContact O-CB 3.42Å; V622-A626 PolarHBondContact O-N 3.31Å
623T98.8Very high97.9Very high0 Ų04.9 Ų4.90%02%0.022CC..Hα-helixtrans-61.6-53.5175.858.30000111.5F329 A333 I337 L411 A469 A620 R621 A627F329-T623 HydrophobicContact CE2-CG2 4.14Å; F329-T623 HydrophobicContact CZ-CG2 3.71Å; A333-T623 HydrophobicContact CB-CG2 3.57Å; I337-T623 HydrophobicContact CD1-CG2 4.16Å; L411-T623 HydrophobicContact CD1-CG2 3.73Å; L411-T623 HydrophobicContact CD2-CG2 4.13Å; A469-T623 PolarHBondContact O-OG1 2.98Å; A620-T623 PolarHBondContact O-N 3.23Å; A620-T623 PolarHBondContact O-OG1 2.97Å; R621-T623 PolarHBondContact O-N 3.37Å; R621-T623 VanDerWaalsContact O-N 3.14Å; T623-A627 WeakPolarHBondContact O-CB 3.23Å; T623-A627 PolarHBondContact O-N 3.14Å; T623-A627 VanDerWaalsContact O-N 3.11Å
624G98.7Very high97.8Very high0 Ų010.8 Ų10.80%05%0.05CC..Hα-helixtrans-61.1-48.2174.500000113.4A469 E470 R621 A626 A627 H628A469-G624 WeakPolarHBondContact O-CA 3.28Å; A469-G624 PolarHBondContact O-N 3.09Å; E470-G624 WeakPolarHBondContact OE2-CA 3.31Å; R621-G624 PolarHBondContact O-N 3.38Å; R621-G624 VanDerWaalsContact O-N 3.15Å; G624-A626 PolarHBondContact O-N 3.27Å; G624-A627 PolarHBondContact O-N 3.34Å; G624-H628 PolarHBondContact O-CD2 3.3Å; G624-H628 VanDerWaalsContact O-CD2 3.28Å; G624-H628 PolarHBondContact O-N 2.96Å
625W98.8Very high97.5Very high0 Ų013.3 Ų13.30%06%0.063CC..Hα-helixtrans-58.8-48.5178.6-68-26.5000112.6S476 T477 I494 A497 I498 L501 V618 R621 V622 A627 H628 I629S476-W625 WeakPolarHBondContact OG-CZ2 3.46Å; S476-W625 PolarHBondContact OG-NE1 2.97Å; S476-W625 VanDerWaalsContact OG-NE1 3.08Å; T477-W625 VanDerWaalsContact OG1-CD1 3.32Å; I494-W625 HydrophobicContact CD1-CB 3.49Å; I494-W625 VanDerWaalsContact CD1-CB 3.49Å; I494-W625 HydrophobicContact CD1-CE3 4.1Å; I494-W625 HydrophobicContact CD1-CG 4.38Å; I494-W625 HydrophobicContact CG2-CE3 4.49Å; A497-W625 HydrophobicContact CB-CD2 3.5Å; A497-W625 VanDerWaalsContact CB-CD2 3.5Å; A497-W625 HydrophobicContact CB-CE3 3.76Å; A497-W625 HydrophobicContact CB-CG 3.97Å; A497-W625 HydrophobicContact CB-CH2 4.15Å; A497-W625 HydrophobicContact CB-CZ2 3.92Å; A497-W625 HydrophobicContact CB-CZ3 4.07Å; I498-W625 HydrophobicContact CG1-CH2 4.26Å; I498-W625 HydrophobicContact CG1-CZ3 3.88Å; L501-W625 HydrophobicContact CB-CH2 4.12Å; L501-W625 HydrophobicContact CB-CZ2 4.02Å; L501-W625 HydrophobicContact CD2-CH2 3.58Å; L501-W625 HydrophobicContact CD2-CZ2 3.76Å; L501-W625 HydrophobicContact CG-CH2 4.42Å; L501-W625 HydrophobicContact CG-CZ2 4.31Å; V618-W625 HydrophobicContact CG1-CZ3 4.07Å; V618-W625 HydrophobicContact CG2-CH2 4.17Å; V618-W625 HydrophobicContact CG2-CZ3 4.49Å; R621-W625 HydrophobicContact CB-CD2 4.43Å; R621-W625 HydrophobicContact CB-CH2 4.42Å; R621-W625 HydrophobicContact CB-CZ2 4.13Å; R621-W625 HydrophobicContact CG-CD2 3.77Å; R621-W625 HydrophobicContact CG-CE3 4.47Å; R621-W625 HydrophobicContact CG-CG 4.1Å; R621-W625 HydrophobicContact CG-CH2 4.31Å; R621-W625 HydrophobicContact CG-CZ2 3.56Å; R621-W625 VanDerWaalsContact CG-NE1 3.29Å; R621-W625 PolarHBondContact O-N 3.37Å; V622-W625 HydrophobicContact CB-CE3 4.46Å; W625-A627 VanDerWaalsContact C-N 3.32Å; W625-A627 PolarHBondContact O-N 2.79Å; W625-H628 PolarHBondContact O-N 2.92Å; W625-I629 WeakPolarHBondContact O-CD1 3.44Å; W625-I629 WeakPolarHBondContact O-CG1 3.46Å; W625-I629 PolarHBondContact O-N 3.37Å
626A98.7Very high97Very high0 Ų020.1 Ų20.10%010%0.099CC..Hα-helixtrans-61.8-42.1179.100000111.5A407 M490 V622 G624 H628 I629 I630A407-A626 HydrophobicContact CB-CB 3.46Å; A407-A626 VanDerWaalsContact CB-CB 3.46Å; M490-A626 HydrophobicContact CE-CB 4.27Å; M490-A626 HydrophobicContact SD-CB 4.09Å; V622-A626 WeakPolarHBondContact O-CB 3.42Å; V622-A626 PolarHBondContact O-N 3.31Å; G624-A626 PolarHBondContact O-N 3.27Å; A626-H628 PolarHBondContact O-N 2.97Å; A626-I629 PolarHBondContact O-N 3.19Å; A626-I630 WeakPolarHBondContact O-CG1 3.31Å; A626-I630 PolarHBondContact O-N 3.13Å
627A98.7Very high96.6Very high4 Ų425.9 Ų25.93%0.03312%0.124CC..Hα-helixtrans-63.4-41.317700000111.9L303 L336 T623 G624 W625 I630 E631L303-A627 VanDerWaalsContact CD1-C 3.48Å; L303-A627 HydrophobicContact CD1-CB 3.76Å; L303-A627 HydrophobicContact CD2-CB 3.5Å; L303-A627 VanDerWaalsContact CD2-CB 3.5Å; L303-A627 HydrophobicContact CG-CB 4.31Å; L336-A627 HydrophobicContact CB-CB 4.38Å; L336-A627 WeakPolarHBondContact O-CB 3.44Å; T623-A627 WeakPolarHBondContact O-CB 3.23Å; T623-A627 PolarHBondContact O-N 3.14Å; T623-A627 VanDerWaalsContact O-N 3.11Å; G624-A627 PolarHBondContact O-N 3.34Å; W625-A627 VanDerWaalsContact C-N 3.32Å; W625-A627 PolarHBondContact O-N 2.79Å; A627-I630 PolarHBondContact O-N 3.48Å; A627-E631 PolarHBondContact O-N 2.92Å
628H98.6Very high96.4Very high0 Ų030.7 Ų30.70%015%0.15CC..Hα-helixtrans-67.8-33.2175.4-87.1-77.1000113.2T301 L303 E470 F473 T477 R481 G624 W625 A626 E631 Q632T301-H628 PolarHBondContact OG1-CE1 3.07Å; L303-H628 HydrophobicContact CD1-CB 4.16Å; L303-H628 VanDerWaalsContact CD1-CD2 3.47Å; L303-H628 WeakPolarHBondContact CD1-CD2 3.11Å; E470-H628 VanDerWaalsContact CD-NE2 3.31Å; E470-H628 IonicContact OE1-CD2 3.24Å; E470-H628 IonicContact OE1-NE2 3.75Å; E470-H628 PolarHBondContact OE1-NE2 3.08Å; E470-H628 IonicContact OE2-CD2 3.69Å; E470-H628 PolarHBondContact OE2-CD2 3.4Å; E470-H628 VanDerWaalsContact OE2-CD2 3.23Å; E470-H628 IonicContact OE2-NE2 2.78Å; E470-H628 PolarHBondContact OE2-NE2 3.41Å; F473-H628 AromaticContact CD1-CE1 3.83Å; F473-H628 AromaticContact CE1-CE1 3.59Å; F473-H628 AromaticContact CE1-ND1 3.54Å; T477-H628 HydrophobicContact CG2-CB 3.77Å; T477-H628 VanDerWaalsContact CG2-CD2 3.4Å; T477-H628 WeakPolarHBondContact CG2-CD2 3.44Å; T477-H628 VanDerWaalsContact CG2-CG 3.4Å; R481-H628 HydrophobicContact CG-CB 3.97Å; R481-H628 PolarHBondContact NH1-ND1 3.05Å; R481-H628 PolarHBondContact NH1-O 2.93Å; G624-H628 PolarHBondContact O-CD2 3.3Å; G624-H628 VanDerWaalsContact O-CD2 3.28Å; G624-H628 PolarHBondContact O-N 2.96Å; W625-H628 PolarHBondContact O-N 2.92Å; A626-H628 PolarHBondContact O-N 2.97Å; H628-E631 IonicContact ND1-OE2 2.69Å; H628-E631 PolarHBondContact O-N 3.17Å; H628-Q632 WeakPolarHBondContact O-CB 3.29Å; H628-Q632 PolarHBondContact O-N 3.04Å
629I98.5Very high96.2Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-64.8-44.3173.2-69.9158.5000110A484 M490 A493 I494 W625 A626 Q632 R633A484-I629 HydrophobicContact CB-CB 4.29Å; A484-I629 HydrophobicContact CB-CG1 4.22Å; A484-I629 HydrophobicContact CB-CG2 3.86Å; M490-I629 HydrophobicContact CE-CB 4.02Å; M490-I629 HydrophobicContact CE-CG2 3.65Å; M490-I629 HydrophobicContact SD-CB 3.9Å; M490-I629 HydrophobicContact SD-CD1 3.37Å; M490-I629 WeakPolarHBondContact SD-CD1 3.4Å; M490-I629 HydrophobicContact SD-CG1 4.23Å; M490-I629 HydrophobicContact SD-CG2 3.7Å; A493-I629 HydrophobicContact CB-CD1 3.44Å; A493-I629 VanDerWaalsContact CB-CD1 3.44Å; A493-I629 HydrophobicContact CB-CG1 3.8Å; I494-I629 HydrophobicContact CD1-CD1 3.71Å; I494-I629 HydrophobicContact CG1-CD1 4.02Å; W625-I629 WeakPolarHBondContact O-CD1 3.44Å; W625-I629 WeakPolarHBondContact O-CG1 3.46Å; W625-I629 PolarHBondContact O-N 3.37Å; A626-I629 PolarHBondContact O-N 3.19Å; I629-Q632 PolarHBondContact O-N 3.2Å; I629-R633 WeakPolarHBondContact O-CG 3.48Å; I629-R633 PolarHBondContact O-N 3.4Å
630I97.9Very high95.9Very high14 Ų1442.7 Ų42.77%0.07220%0.197CC..Hα-helixtrans-60-47.9175.1-67.3164.2000110.5V400 A403 R404 M490 A626 A627 Q632 R633 Q634V400-I630 HydrophobicContact CG1-CG2 4.08Å; V400-I630 HydrophobicContact CG2-CG2 4.49Å; A403-I630 HydrophobicContact CB-CD1 4.16Å; A403-I630 HydrophobicContact CB-CG1 3.8Å; R404-I630 HydrophobicContact CG-CD1 3.93Å; M490-I630 HydrophobicContact CE-CG1 4.15Å; A626-I630 WeakPolarHBondContact O-CG1 3.31Å; A626-I630 PolarHBondContact O-N 3.13Å; A627-I630 PolarHBondContact O-N 3.48Å; I630-Q632 PolarHBondContact O-N 2.96Å; I630-R633 PolarHBondContact O-N 3.14Å; I630-Q634 WeakPolarHBondContact O-CG 3.45Å; I630-Q634 PolarHBondContact O-N 3.23Å; I630-Q634 VanDerWaalsContact O-N 3.08Å
631E97.1Very high95.5Very high27 Ų2747.8 Ų47.813%0.12623%0.23CC..Hα-helixtrans-60.6-42.6175.6-88.5-167164.900112.8T301 A302 L303 R481 A627 H628 R633 Q634 D635T301-E631 WeakPolarHBondContact CA-OE2 3.29Å; T301-E631 VanDerWaalsContact CB-OE2 3.28Å; T301-E631 WeakPolarHBondContact CB-OE2 3.45Å; T301-E631 PolarHBondContact OG1-OE1 3.46Å; T301-E631 PolarHBondContact OG1-OE2 3.23Å; A302-E631 WeakPolarHBondContact CA-OE1 3.19Å; A302-E631 PolarHBondContact N-OE1 3.02Å; L303-E631 HydrophobicContact CD1-CG 4.15Å; L303-E631 HydrophobicContact CG-CG 4.45Å; R481-E631 IonicContact NH1-OE2 3.12Å; R481-E631 PolarHBondContact NH1-OE2 3.03Å; R481-E631 VanDerWaalsContact NH1-OE2 3.11Å; A627-E631 PolarHBondContact O-N 2.92Å; H628-E631 IonicContact ND1-OE2 2.69Å; H628-E631 PolarHBondContact O-N 3.17Å; E631-R633 VanDerWaalsContact C-N 3.31Å; E631-R633 PolarHBondContact O-N 3.44Å; E631-Q634 WeakPolarHBondContact O-CB 3.33Å; E631-Q634 PolarHBondContact O-N 3.34Å; E631-Q634 VanDerWaalsContact O-N 3.17Å; E631-D635 PolarHBondContact O-N 2.79Å
632Q97.1Very high95.1Very high5 Ų553.6 Ų53.62%0.02327%0.271CS..Hα-helixtrans-65-38-178.7-172.863.443.100111.7R481 A484 H628 I629 I630 Q634 D635 N636 K637R481-Q632 HydrophobicContact CB-CB 4.35Å; R481-Q632 HydrophobicContact CB-CG 4.18Å; R481-Q632 HydrophobicContact CG-CB 4.25Å; R481-Q632 WeakPolarHBondContact O-CG 3.38Å; A484-Q632 HydrophobicContact CB-CB 4.12Å; A484-Q632 HydrophobicContact CB-CG 4.15Å; H628-Q632 WeakPolarHBondContact O-CB 3.29Å; H628-Q632 PolarHBondContact O-N 3.04Å; I629-Q632 PolarHBondContact O-N 3.2Å; I630-Q632 PolarHBondContact O-N 2.96Å; Q632-Q634 VanDerWaalsContact C-N 3.33Å; Q632-D635 PolarHBondContact O-N 2.82Å; Q632-N636 PolarHBondContact O-N 2.66Å; Q632-K637 PolarHBondContact NE2-O 3.19Å
633R95.6Very high94.7Very high39 Ų3958.1 Ų58.115%0.14731%0.309CS..Hα-helixtrans-65.8-36.1173.7-72.2174174.9179.6-3.4112E394 S488 D489 I629 I630 E631 N636E394-R633 IonicContact OE1-CZ 3.85Å; E394-R633 IonicContact OE1-NH1 2.93Å; E394-R633 PolarHBondContact OE1-NH1 3.49Å; E394-R633 IonicContact OE1-NH2 3.97Å; E394-R633 IonicContact OE2-CZ 2.78Å; E394-R633 IonicContact OE2-NH1 3.36Å; E394-R633 PolarHBondContact OE2-NH1 2.96Å; E394-R633 IonicContact OE2-NH2 3.89Å; E394-R633 PolarHBondContact OE2-NH2 3.43Å; S488-R633 PolarHBondContact O-NH2 3.38Å; D489-R633 VanDerWaalsContact CA-NH2 3.28Å; I629-R633 WeakPolarHBondContact O-CG 3.48Å; I629-R633 PolarHBondContact O-N 3.4Å; I630-R633 PolarHBondContact O-N 3.14Å; E631-R633 VanDerWaalsContact C-N 3.31Å; E631-R633 PolarHBondContact O-N 3.44Å; R633-N636 PolarHBondContact O-N 3.31Å
634Q94Very high94.1Very high124 Ų12465 Ų6558%0.57935%0.345SS*.Hα-helixtrans-69.6-37.7175.9-72172.2-2000112.8I630 E631 Q632 N636I630-Q634 WeakPolarHBondContact O-CG 3.45Å; I630-Q634 PolarHBondContact O-N 3.23Å; I630-Q634 VanDerWaalsContact O-N 3.08Å; E631-Q634 WeakPolarHBondContact O-CB 3.33Å; E631-Q634 PolarHBondContact O-N 3.34Å; E631-Q634 VanDerWaalsContact O-N 3.17Å; Q632-Q634 VanDerWaalsContact C-N 3.33Å; Q634-N636 VanDerWaalsContact C-N 3.25Å; Q634-N636 PolarHBondContact O-N 2.98Å
635D89.4Confident93.6Very high55 Ų5573 Ų7329%0.29438%0.377SS..Hα-helixtrans-69.7-26.3173.5-168.534.1000111.7E631 Q632 K637E631-D635 PolarHBondContact O-N 2.79Å; Q632-D635 PolarHBondContact O-N 2.82Å; D635-K637 VanDerWaalsContact C-N 3.3Å; D635-K637 PolarHBondContact O-N 2.78Å; D635-K637 IonicContact OD1-NZ 3.87Å; D635-K637 PolarHBondContact OD1-NZ 3.05Å; D635-K637 IonicContact OD2-NZ 3.65Å
636N87.5Confident93.2Very high142 Ų14279 Ų7976%0.75941%0.414SS*.THydrogen-bonded Turntrans53.541.8172.7-164.232.4000113.8Q632 R633 Q634Q632-N636 PolarHBondContact O-N 2.66Å; R633-N636 PolarHBondContact O-N 3.31Å; Q634-N636 VanDerWaalsContact C-N 3.25Å; Q634-N636 PolarHBondContact O-N 2.98Å
637K89.1Confident93Very high121 Ų12180.8 Ų80.853%0.52643%0.431SS..  trans-120.8135.8178.1-70.5173.3-166.5138.10111.4Q632 D635Q632-K637 PolarHBondContact NE2-O 3.19Å; D635-K637 VanDerWaalsContact C-N 3.3Å; D635-K637 PolarHBondContact O-N 2.78Å; D635-K637 IonicContact OD1-NZ 3.87Å; D635-K637 PolarHBondContact OD1-NZ 3.05Å; D635-K637 IonicContact OD2-NZ 3.65Å
638I93.7Very high92.7Very high110 Ų11083.5 Ų83.556%0.56445%0.449SS*.  trans-76.9135.3171.8-168.9171.3000110.8G485G485-I638 WeakPolarHBondContact O-CA 3.43Å
639I93.6Very high92.5Very high37 Ų3791.4 Ų91.419%0.1949%0.486CS..  trans-92.2109173.3-57.8176.6000108.2F478 R481 V482F478-I639 HydrophobicContact CE2-CD1 4.06Å; F478-I639 HydrophobicContact CE2-CG2 4.48Å; F478-I639 HydrophobicContact CZ-CG2 3.96Å; R481-I639 HydrophobicContact CB-CD1 4.21Å; V482-I639 HydrophobicContact CG2-CB 4.11Å; V482-I639 HydrophobicContact CG2-CD1 4.02Å; V482-I639 HydrophobicContact CG2-CG2 3.92Å
640R92.7Very high92.2Very high216 Ų21699.6 Ų99.682%0.81553%0.53SS*.  trans-143.381.3-176.6-166.5177-175.4179.81.2111.7
641P90.2Very high92.1Very high107 Ų107108.6 Ų108.670%0.69556%0.563SS**  trans-68.7157.5179.929.6-34.9000112.2
642S89.6Confident91.9Very high123 Ų123116.3 Ų116.386%0.8660%0.599SS**  trans-83.4166.2167.258.40000111.3
643A90Very high91.9Very high97 Ų97124.1 Ų124.180%0.80263%0.633SS**  trans-124.7152.7173.500000110.4
644N85.9Confident91.8Very high143 Ų143125.4 Ų125.477%0.76565%0.645SS**  trans-86113.6168.1-173.628.4000109.1V646N644-V646 PolarHBondContact O-N 3.25Å
645Y89.9Confident91.9Very high168 Ų168121 Ų12166%0.65963%0.63SS**  trans-74.3120.8179.6-179.4-102.7000110.2P648Y645-P648 VanDerWaalsContact CE1-O 3.25Å; Y645-P648 WeakPolarHBondContact CE1-O 3.29Å; Y645-P648 WeakPolarHBondContact OH-CD 3.33Å; Y645-P648 PolarHBondContact OH-O 3.3Å
646V90.6Very high92.2Very high128 Ų128125 Ų12578%0.77665%0.65SS**  trans-120.319.4178.6-62.60000111.6N644N644-V646 PolarHBondContact O-N 3.25Å
647G92.9Very high92.6Very high36 Ų36124.5 Ų124.537%0.37165%0.648SS.*SBendtrans-79.6-174.6175.300000111.9
648P92.8Very high92.7Very high62 Ų62126.1 Ų126.140%0.40366%0.655SS.*PPolyproline II helixtrans-66.1148.7174.929-34.5000111.9Y645 R651Y645-P648 VanDerWaalsContact CE1-O 3.25Å; Y645-P648 WeakPolarHBondContact CE1-O 3.29Å; Y645-P648 WeakPolarHBondContact OH-CD 3.33Å; Y645-P648 PolarHBondContact OH-O 3.3Å; P648-R651 VanDerWaalsContact CB-NE 3.34Å; P648-R651 VanDerWaalsContact CB-NH2 3.34Å
649E94.3Very high92.7Very high166 Ų166127.1 Ų127.178%0.77665%0.651SS**PPolyproline II helixtrans-55.8169.2163.2-62.4-61.2157.300111.6R651E649-R651 WeakPolarHBondContact O-CG 3.49Å; E649-R651 PolarHBondContact O-N 2.94Å
650D93.4Very high92Very high172 Ų172138.2 Ų138.292%0.9270%0.702SS**PPolyproline II helixtrans-53123.3178.9-72.2-18.5000111.9
651R94.2Very high91.9Very high203 Ų203134.3 Ų134.377%0.76670%0.697SS**  trans-110.9137.8177.5-62.2-177.8179.1-178.5-2.4109.6P648 E649 F653P648-R651 VanDerWaalsContact CB-NE 3.34Å; P648-R651 VanDerWaalsContact CB-NH2 3.34Å; E649-R651 WeakPolarHBondContact O-CG 3.49Å; E649-R651 PolarHBondContact O-N 2.94Å; R651-F653 PolarHBondContact O-N 3.16Å
652Q93.9Very high92Very high189 Ų189135.7 Ų135.788%0.88370%0.697SS**PPolyproline II helixtrans-63.7130.3166.4-77.2-166.6-11.600110.1V654Q652-V654 PolarHBondContact O-N 3.46Å
653F95.9Very high92.2Very high169 Ų169136.4 Ų136.474%0.74169%0.688SS**PPolyproline II helixtrans-66.6123.1174.3174.3-97.1000110.2R651 A655R651-F653 PolarHBondContact O-N 3.16Å; F653-A655 HydrophobicContact CE1-CB 4.23Å
654V95.1Very high92.3Very high66 Ų66138.8 Ų138.840%0.468%0.681SS.*PPolyproline II helixtrans-100.2122171.6-174.50000108.1Q652 K658 R659Q652-V654 PolarHBondContact O-N 3.46Å; V654-K658 VanDerWaalsContact CG1-C 3.43Å; V654-K658 HydrophobicContact CG1-CB 3.64Å; V654-K658 WeakPolarHBondContact CG1-O 3.47Å; V654-R659 HydrophobicContact CB-CG 4.18Å; V654-R659 HydrophobicContact CG1-CG 3.87Å; V654-R659 VanDerWaalsContact O-CZ 3.27Å; V654-R659 PolarHBondContact O-NE 2.62Å; V654-R659 PolarHBondContact O-NH2 3.46Å
655A95.5Very high92.7Very high32 Ų32138.5 Ų138.526%0.26468%0.676SS.*PPolyproline II helixtrans-61.2151.7176.300000111F653 D657 K658 R659F653-A655 HydrophobicContact CE1-CB 4.23Å; A655-D657 WeakPolarHBondContact CB-OD1 3.44Å; A655-D657 PolarHBondContact O-N 2.96Å; A655-K658 CarbonylContact O-C 3.5Å; A655-K658 WeakPolarHBondContact O-CA 3.44Å; A655-K658 PolarHBondContact O-N 3.41Å; A655-R659 WeakPolarHBondContact O-CG 3.46Å; A655-R659 PolarHBondContact O-N 3.28Å
656L95.4Very high92.9Very high137 Ų137136.5 Ų136.572%0.71768%0.677SS**G310 helixtrans-56.3-38.3-171.6-178.463.8000112.7K658 R659L656-K658 PolarHBondContact O-N 3.27Å; L656-R659 PolarHBondContact O-N 2.73Å
657D95.9Very high93Very high133 Ų133137.1 Ų137.171%0.71167%0.67SS**G310 helixtrans-70.4-12.6176.562.8-48.8000114.1A655A655-D657 WeakPolarHBondContact CB-OD1 3.44Å; A655-D657 PolarHBondContact O-N 2.96Å
658K90.5Very high93.1Very high155 Ų155144.9 Ų144.967%0.67469%0.693SS**G310 helixtrans-109.82.2-179.9-62.5-175.2-179.4-177.90113.3V654 A655 L656V654-K658 VanDerWaalsContact CG1-C 3.43Å; V654-K658 HydrophobicContact CG1-CB 3.64Å; V654-K658 WeakPolarHBondContact CG1-O 3.47Å; A655-K658 CarbonylContact O-C 3.5Å; A655-K658 WeakPolarHBondContact O-CA 3.44Å; A655-K658 PolarHBondContact O-N 3.41Å; L656-K658 PolarHBondContact O-N 3.27Å
659R93.5Very high93.1Very high130 Ų130151.8 Ų151.849%0.49172%0.717SS.*  trans-84.2125.3172.4-64.2168-163169.72.2107.5V654 A655 L656V654-R659 HydrophobicContact CB-CG 4.18Å; V654-R659 HydrophobicContact CG1-CG 3.87Å; V654-R659 VanDerWaalsContact O-CZ 3.27Å; V654-R659 PolarHBondContact O-NE 2.62Å; V654-R659 PolarHBondContact O-NH2 3.46Å; A655-R659 WeakPolarHBondContact O-CG 3.46Å; A655-R659 PolarHBondContact O-N 3.28Å; L656-R659 PolarHBondContact O-N 2.73Å
660Q79.3Confident93Very high270 Ų270150.5 Ų150.5100%1.26271%0.712SS**  trans-71.70174.7-72.6-171-13.200111.9

Retrieved 660 of 660 residues in 339.3 ms (Link to these results)

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