G4VRU9_SCHMA Loading...

5-demethoxyubiquinone hydroxylase, mitochondrial

Catalyzes the hydroxylation of 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2) during ubiquinone biosynthesis. Has also a structural role in the COQ enzyme complex, stabilizing other COQ polypeptides. Involved in lifespan determination in a ubiquinone-independent manner.

AlphaFold DB , UniProt , Accession G4VRU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 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
1M38.4Very low81.5Confident243 Ų243103.5 Ų103.5100%1.19757%0.57SS**  0125.90-81.1175.9159.900107.2R3M1-R3 PolarHBondContact O-N 3.23Å
2A59.5Low82.8Confident103 Ų10396.3 Ų96.385%0.85153%0.53SS*.  trans-59.4123.4169.300000107.8S4A2-S4 PolarHBondContact O-N 3.03Å
3R67.7Low83.9Confident149 Ų14989.1 Ų89.156%0.56249%0.49SS*.  trans-61.1125.3-178-156.4-179.3-173.1167.45.7108.1M1 V5 D124 E126M1-R3 PolarHBondContact O-N 3.23Å; R3-V5 PolarHBondContact O-N 3.37Å; R3-V5 VanDerWaalsContact O-N 3.11Å; R3-D124 IonicContact NH1-OD1 3.54Å; R3-E126 IonicContact CZ-OE2 3.58Å; R3-E126 IonicContact NH1-OE2 2.66Å; R3-E126 PolarHBondContact NH1-OE2 3.25Å; R3-E126 IonicContact NH2-OE2 3.02Å
4S80.5Confident84.8Confident115 Ų11586.1 Ų86.180%0.80447%0.474SS*.  trans-71.7107.5178.459.10000109.2A2A2-S4 PolarHBondContact O-N 3.03Å
5V86.6Confident85.7Confident24 Ų2485.1 Ų85.115%0.14546%0.46CS..  trans-64.1142.4176.2-176.50000109.9R3 V9 R10 T127 Y128R3-V5 PolarHBondContact O-N 3.37Å; R3-V5 VanDerWaalsContact O-N 3.11Å; V5-V9 HydrophobicContact CG1-CB 3.61Å; V5-V9 HydrophobicContact CG1-CG1 3.57Å; V5-R10 HydrophobicContact CB-CG 4.19Å; V5-R10 HydrophobicContact CG1-CG 3.78Å; V5-R10 PolarHBondContact O-NH1 3.19Å; V5-T127 HydrophobicContact CG2-CG2 3.72Å; V5-Y128 HydrophobicContact CG1-CE2 3.88Å; V5-Y128 WeakPolarHBondContact CG1-OH 3.5Å; V5-Y128 HydrophobicContact CG2-CE2 4.14Å
6S90.9Very high86.4Confident51 Ų5179.8 Ų79.836%0.35743%0.431SS..  trans-71.9153.5175.2800000111.8K8 V9 R10S6-K8 PolarHBondContact O-N 3.04Å; S6-V9 PolarHBondContact O-N 3.22Å; S6-V9 WeakPolarHBondContact OG-CG2 3.43Å; S6-V9 PolarHBondContact OG-N 3.28Å; S6-R10 PolarHBondContact O-N 3.4Å
7P93.8Very high87.1Confident95 Ų9575.1 Ų75.162%0.61741%0.406SS*.Hα-helixtrans-56.2-35.7174-24.633.3000113.6R10 A11P7-R10 PolarHBondContact O-N 3.31Å; P7-A11 WeakPolarHBondContact O-CB 3.5Å; P7-A11 PolarHBondContact O-N 3.18Å
8K94.3Very high87.7Confident167 Ų16772.6 Ų72.673%0.72639%0.39SS*.Hα-helixtrans-64.7-45.3178.5-174.8-177.1176.1-170.50111.7S6 A11 L12S6-K8 PolarHBondContact O-N 3.04Å; K8-A11 PolarHBondContact O-N 2.91Å; K8-L12 PolarHBondContact O-N 3.45Å
9V94.4Very high88.3Confident9 Ų969.1 Ų69.16%0.05537%0.371CS..Hα-helixtrans-66.8-39.9178.5176.60000110.7V5 S6 A11 L12 V13 D124 Y128V5-V9 HydrophobicContact CG1-CB 3.61Å; V5-V9 HydrophobicContact CG1-CG1 3.57Å; S6-V9 PolarHBondContact O-N 3.22Å; S6-V9 WeakPolarHBondContact OG-CG2 3.43Å; S6-V9 PolarHBondContact OG-N 3.28Å; V9-A11 PolarHBondContact O-N 3.23Å; V9-L12 WeakPolarHBondContact O-CB 3.24Å; V9-L12 PolarHBondContact O-N 2.96Å; V9-V13 WeakPolarHBondContact O-CG2 3.46Å; V9-V13 PolarHBondContact O-N 2.95Å; V9-D124 HydrophobicContact CG1-CB 3.93Å; V9-D124 HydrophobicContact CG2-CB 4.14Å; V9-Y128 HydrophobicContact CG1-CD2 3.93Å; V9-Y128 HydrophobicContact CG1-CE2 3.39Å
10R94.9Very high88.8Confident123 Ų12365.9 Ų65.946%0.46435%0.354SS..Hα-helixtrans-60.2-44173.3-78.2-167-68.8-84.4-5.4112.5V5 S6 P7 L12 V13 D14V5-R10 HydrophobicContact CB-CG 4.19Å; V5-R10 HydrophobicContact CG1-CG 3.78Å; V5-R10 PolarHBondContact O-NH1 3.19Å; S6-R10 PolarHBondContact O-N 3.4Å; P7-R10 PolarHBondContact O-N 3.31Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.35Å; R10-V13 PolarHBondContact O-N 3.11Å; R10-D14 WeakPolarHBondContact O-CB 3.35Å; R10-D14 PolarHBondContact O-N 3.45Å
11A95.9Very high89.3Confident60 Ų6063.2 Ų63.250%0.49634%0.339SS..Hα-helixtrans-64.8-36.3177.800000112.2P7 K8 V9 R15P7-A11 WeakPolarHBondContact O-CB 3.5Å; P7-A11 PolarHBondContact O-N 3.18Å; K8-A11 PolarHBondContact O-N 2.91Å; V9-A11 PolarHBondContact O-N 3.23Å; A11-R15 WeakPolarHBondContact O-CB 3.47Å; A11-R15 PolarHBondContact O-N 3.28Å
12L96.4Very high92.1Very high16 Ų1651.9 Ų51.98%0.08428%0.284CS..Hα-helixtrans-60.5-51.8172.4171.460.8000111.3K8 V9 R10 D14 R15 I16 E119 S123K8-L12 PolarHBondContact O-N 3.45Å; V9-L12 WeakPolarHBondContact O-CB 3.24Å; V9-L12 PolarHBondContact O-N 2.96Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.35Å; L12-D14 VanDerWaalsContact C-N 3.35Å; L12-D14 PolarHBondContact O-N 3.03Å; L12-R15 WeakPolarHBondContact O-CB 3.47Å; L12-R15 PolarHBondContact O-N 3.07Å; L12-I16 HydrophobicContact CD1-CD1 3.8Å; L12-I16 HydrophobicContact CD1-CG1 4.1Å; L12-I16 HydrophobicContact CG-CD1 3.89Å; L12-I16 WeakPolarHBondContact O-CG1 3.27Å; L12-I16 PolarHBondContact O-N 2.81Å; L12-E119 HydrophobicContact CD1-CB 4.01Å; L12-E119 WeakPolarHBondContact CD1-OE2 3.39Å; L12-E119 HydrophobicContact CD2-CB 4.11Å; L12-S123 WeakPolarHBondContact CD2-OG 3.36Å
13V97Very high93.9Very high3 Ų348.3 Ų48.32%0.01826%0.257CS..Hα-helixtrans-65-38.6-179.11710000112.1V9 R10 R15 I16 I17 L120 Y128 L131V9-V13 WeakPolarHBondContact O-CG2 3.46Å; V9-V13 PolarHBondContact O-N 2.95Å; R10-V13 PolarHBondContact O-N 3.11Å; V13-R15 VanDerWaalsContact C-N 3.32Å; V13-R15 PolarHBondContact O-N 3.03Å; V13-I16 PolarHBondContact O-N 2.97Å; V13-I17 HydrophobicContact CG1-CD1 3.64Å; V13-I17 HydrophobicContact CG1-CG1 4.39Å; V13-I17 WeakPolarHBondContact O-CG1 3.34Å; V13-I17 PolarHBondContact O-N 2.89Å; V13-L120 HydrophobicContact CG2-CD1 4.11Å; V13-Y128 HydrophobicContact CB-CE1 4.24Å; V13-Y128 HydrophobicContact CG1-CD1 4.36Å; V13-Y128 HydrophobicContact CG1-CE1 3.9Å; V13-Y128 HydrophobicContact CG2-CD1 3.85Å; V13-Y128 HydrophobicContact CG2-CD2 4.19Å; V13-Y128 HydrophobicContact CG2-CE1 3.66Å; V13-Y128 HydrophobicContact CG2-CE2 4.03Å; V13-Y128 HydrophobicContact CG2-CG 4.09Å; V13-L131 HydrophobicContact CG1-CD2 3.98Å; V13-L131 HydrophobicContact CG2-CD2 4.18Å
14D97Very high95.4Very high48 Ų4841.2 Ų41.226%0.25723%0.23SC..Hα-helixtrans-59.9-42.5173.4178.679.7000111.9R10 L12 R18 V70R10-D14 WeakPolarHBondContact O-CB 3.35Å; R10-D14 PolarHBondContact O-N 3.45Å; L12-D14 VanDerWaalsContact C-N 3.35Å; L12-D14 PolarHBondContact O-N 3.03Å; D14-R18 WeakPolarHBondContact O-CB 3.29Å; D14-R18 PolarHBondContact O-N 3.43Å; D14-R18 VanDerWaalsContact O-N 3.14Å; D14-R18 IonicContact OD1-NH1 3.94Å; D14-R18 IonicContact OD2-CZ 3.89Å; D14-R18 IonicContact OD2-NH1 3.48Å; D14-R18 PolarHBondContact OD2-NH1 2.91Å; D14-R18 IonicContact OD2-NH2 2.56Å; D14-V70 HydrophobicContact CB-CG2 4.35Å; D14-V70 WeakPolarHBondContact O-CG1 3.17Å; D14-V70 WeakPolarHBondContact OD1-CA 3.5Å
15R97.5Very high96.2Very high70 Ų7036.9 Ų36.926%0.26420%0.198SC..Hα-helixtrans-64.5-49.6174.9-178.4-18065.3165.4-3.4112A11 L12 V13 R18 V19 E119 E179A11-R15 WeakPolarHBondContact O-CB 3.47Å; A11-R15 PolarHBondContact O-N 3.28Å; L12-R15 WeakPolarHBondContact O-CB 3.47Å; L12-R15 PolarHBondContact O-N 3.07Å; V13-R15 VanDerWaalsContact C-N 3.32Å; V13-R15 PolarHBondContact O-N 3.03Å; R15-R18 PolarHBondContact O-N 3.5Å; R15-V19 HydrophobicContact CG-CG2 4.27Å; R15-V19 WeakPolarHBondContact O-CG2 3.26Å; R15-V19 PolarHBondContact O-N 3.32Å; R15-E119 IonicContact CZ-OE1 3.75Å; R15-E119 IonicContact CZ-OE2 2.72Å; R15-E119 IonicContact NH2-OE1 2.64Å; R15-E119 PolarHBondContact NH2-OE1 3.41Å; R15-E119 IonicContact NH2-OE2 3.87Å; R15-E119 PolarHBondContact NH2-OE2 2.86Å; R15-E179 HydrophobicContact CG-CB 4.14Å; R15-E179 HydrophobicContact CG-CG 3.88Å; R15-E179 IonicContact NH1-OE1 2.7Å; R15-E179 PolarHBondContact NH1-OE1 2.64Å
16I98.1Very high96.8Very high1 Ų136.3 Ų36.31%0.00520%0.197CC..Hα-helixtrans-53.7-60.4-179.9-72.8172.3000110L12 V13 R18 V19 D20 Q116 L135L12-I16 HydrophobicContact CD1-CD1 3.8Å; L12-I16 HydrophobicContact CD1-CG1 4.1Å; L12-I16 HydrophobicContact CG-CD1 3.89Å; L12-I16 WeakPolarHBondContact O-CG1 3.27Å; L12-I16 PolarHBondContact O-N 2.81Å; V13-I16 PolarHBondContact O-N 2.97Å; I16-R18 VanDerWaalsContact C-N 3.28Å; I16-R18 PolarHBondContact O-N 3.44Å; I16-V19 PolarHBondContact O-N 3.09Å; I16-V19 VanDerWaalsContact O-N 3.14Å; I16-D20 VanDerWaalsContact CG2-OD2 3.28Å; I16-D20 WeakPolarHBondContact CG2-OD2 3.45Å; I16-D20 VanDerWaalsContact O-CG 3.28Å; I16-D20 PolarHBondContact O-N 3.43Å; I16-Q116 HydrophobicContact CD1-CB 4.07Å; I16-Q116 HydrophobicContact CD1-CG 4.47Å; I16-Q116 HydrophobicContact CG1-CB 4.08Å; I16-Q116 HydrophobicContact CG1-CG 3.93Å; I16-L135 HydrophobicContact CG2-CD1 4.01Å; I16-L135 HydrophobicContact CG2-CD2 4Å
17I98.2Very high97.2Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-62.2-36.8-174.9-67168.5000111.5V13 H21 F61 L64 I65 H68 V70 L131V13-I17 HydrophobicContact CG1-CD1 3.64Å; V13-I17 HydrophobicContact CG1-CG1 4.39Å; V13-I17 WeakPolarHBondContact O-CG1 3.34Å; V13-I17 PolarHBondContact O-N 2.89Å; I17-H21 WeakPolarHBondContact O-CB 3.46Å; I17-H21 PolarHBondContact O-N 3.26Å; I17-F61 HydrophobicContact CG2-CD1 4.41Å; I17-L64 HydrophobicContact CD1-CB 4.21Å; I17-L64 HydrophobicContact CG1-CB 4.49Å; I17-L64 HydrophobicContact CG2-CB 4.25Å; I17-I65 HydrophobicContact CG2-CG1 3.89Å; I17-H68 HydrophobicContact CD1-CB 3.65Å; I17-H68 WeakPolarHBondContact CD1-CD2 3.33Å; I17-V70 HydrophobicContact CB-CB 4.39Å; I17-V70 HydrophobicContact CB-CG1 4.18Å; I17-V70 HydrophobicContact CB-CG2 3.99Å; I17-V70 HydrophobicContact CD1-CG2 4.02Å; I17-V70 HydrophobicContact CG2-CB 3.98Å; I17-V70 HydrophobicContact CG2-CG1 3.99Å; I17-V70 HydrophobicContact CG2-CG2 3.98Å; I17-L131 HydrophobicContact CG1-CD1 4.48Å
18R98.1Very high97.4Very high30 Ų3030.1 Ų30.111%0.11316%0.155CC..Hα-helixtrans-65.1-46.1177.8174.8173.254.3-111.1-2.5111.6D14 R15 I16 A22 V70 R71 A178 E179D14-R18 WeakPolarHBondContact O-CB 3.29Å; D14-R18 PolarHBondContact O-N 3.43Å; D14-R18 VanDerWaalsContact O-N 3.14Å; D14-R18 IonicContact OD1-NH1 3.94Å; D14-R18 IonicContact OD2-CZ 3.89Å; D14-R18 IonicContact OD2-NH1 3.48Å; D14-R18 PolarHBondContact OD2-NH1 2.91Å; D14-R18 IonicContact OD2-NH2 2.56Å; R15-R18 PolarHBondContact O-N 3.5Å; I16-R18 VanDerWaalsContact C-N 3.28Å; I16-R18 PolarHBondContact O-N 3.44Å; R18-A22 PolarHBondContact O-N 2.84Å; R18-V70 HydrophobicContact CB-CG1 3.88Å; R18-R71 WeakPolarHBondContact CD-O 3.46Å; R18-A178 VanDerWaalsContact CD-O 3.28Å; R18-A178 WeakPolarHBondContact CD-O 3.19Å; R18-A178 PolarHBondContact NE-O 3.12Å; R18-E179 PolarHBondContact NH2-O 3.13Å
19V98.2Very high97.6Very high5 Ų525 Ų253%0.0313%0.131CC..Hα-helixtrans-69.8-44.8-177.7177.30000110.3R15 I16 A22 G23 H112 I175 A178 E179R15-V19 HydrophobicContact CG-CG2 4.27Å; R15-V19 WeakPolarHBondContact O-CG2 3.26Å; R15-V19 PolarHBondContact O-N 3.32Å; I16-V19 PolarHBondContact O-N 3.09Å; I16-V19 VanDerWaalsContact O-N 3.14Å; V19-A22 WeakPolarHBondContact O-CB 3.3Å; V19-A22 PolarHBondContact O-N 2.89Å; V19-G23 PolarHBondContact O-N 3.36Å; V19-H112 VanDerWaalsContact CG1-NE2 3.25Å; V19-H112 WeakPolarHBondContact CG1-NE2 3.19Å; V19-I175 HydrophobicContact CG1-CB 4.41Å; V19-I175 HydrophobicContact CG1-CG1 4.15Å; V19-I175 HydrophobicContact CG1-CG2 4.12Å; V19-A178 HydrophobicContact CB-CB 4.33Å; V19-A178 HydrophobicContact CG1-CB 4.3Å; V19-A178 HydrophobicContact CG2-CB 3.88Å; V19-E179 HydrophobicContact CG2-CB 4.31Å; V19-E179 HydrophobicContact CG2-CG 3.64Å
20D98.5Very high97.8Very high5 Ų525 Ų253%0.02713%0.131CC..Hα-helixtrans-68.1-45.2-177.9-61.4-19.8000111.1I16 A22 G23 E24 F61 H112 Q116 L135I16-D20 VanDerWaalsContact CG2-OD2 3.28Å; I16-D20 WeakPolarHBondContact CG2-OD2 3.45Å; I16-D20 VanDerWaalsContact O-CG 3.28Å; I16-D20 PolarHBondContact O-N 3.43Å; D20-A22 PolarHBondContact O-N 3.49Å; D20-G23 CarbonylContact O-C 3.58Å; D20-G23 WeakPolarHBondContact O-CA 3.48Å; D20-G23 PolarHBondContact O-N 2.9Å; D20-E24 VanDerWaalsContact O-CG 3.27Å; D20-E24 WeakPolarHBondContact O-CG 3.35Å; D20-E24 PolarHBondContact O-N 2.94Å; D20-F61 HydrophobicContact CB-CD1 3.83Å; D20-F61 HydrophobicContact CB-CD2 4.13Å; D20-F61 HydrophobicContact CB-CE1 3.33Å; D20-F61 HydrophobicContact CB-CE2 3.66Å; D20-F61 HydrophobicContact CB-CG 4.2Å; D20-F61 HydrophobicContact CB-CZ 3.24Å; D20-H112 IonicContact OD1-CD2 3.83Å; D20-H112 IonicContact OD1-NE2 3.73Å; D20-Q116 VanDerWaalsContact CG-NE2 3.31Å; D20-Q116 PolarHBondContact OD1-NE2 2.56Å; D20-Q116 PolarHBondContact OD1-OE1 3.1Å; D20-Q116 PolarHBondContact OD2-NE2 3.15Å; D20-Q116 PolarHBondContact OD2-OE1 2.85Å; D20-Q116 VanDerWaalsContact OD2-OE1 3.07Å; D20-L135 WeakPolarHBondContact OD2-CD2 3.27Å
21H98.4Very high98Very high11 Ų1119.2 Ų19.25%0.05111%0.109CC..Hα-helixtrans-51.8-37.2173.8175.4-113.3000112.8I17 L25 F61 I65I17-H21 WeakPolarHBondContact O-CB 3.46Å; I17-H21 PolarHBondContact O-N 3.26Å; H21-L25 WeakPolarHBondContact O-CB 3.13Å; H21-L25 PolarHBondContact O-N 3.3Å; H21-F61 HydrophobicContact CB-CB 3.87Å; H21-I65 HydrophobicContact CB-CD1 3.92Å; H21-I65 VanDerWaalsContact CD2-CD1 3.49Å; H21-I65 WeakPolarHBondContact CD2-CD1 3.25Å; H21-I65 WeakPolarHBondContact ND1-CD1 3.29Å
22A98Very high98.1Very high5 Ų519.6 Ų19.64%0.04110%0.1CC..Hα-helixtrans-74.5-41.5175.700000113.8R18 V19 D20 L25 G26 T73 L76 W79R18-A22 PolarHBondContact O-N 2.84Å; V19-A22 WeakPolarHBondContact O-CB 3.3Å; V19-A22 PolarHBondContact O-N 2.89Å; D20-A22 PolarHBondContact O-N 3.49Å; A22-L25 PolarHBondContact O-N 3.42Å; A22-G26 PolarHBondContact O-N 2.81Å; A22-T73 HydrophobicContact CB-CG2 4.06Å; A22-L76 HydrophobicContact CB-CD1 4.3Å; A22-W79 HydrophobicContact CB-CE3 3.29Å; A22-W79 HydrophobicContact CB-CH2 4.41Å; A22-W79 HydrophobicContact CB-CZ3 3.19Å
23G97.9Very high98.3Very high27 Ų2718.9 Ų18.928%0.27810%0.096SC..Hα-helixtrans-57.8-54.4173.800000111.2V19 D20 L25 G26 A27V19-G23 PolarHBondContact O-N 3.36Å; D20-G23 CarbonylContact O-C 3.58Å; D20-G23 WeakPolarHBondContact O-CA 3.48Å; D20-G23 PolarHBondContact O-N 2.9Å; G23-L25 VanDerWaalsContact C-N 3.32Å; G23-L25 PolarHBondContact O-N 3.16Å; G23-G26 CarbonylContact O-C 3.54Å; G23-G26 VanDerWaalsContact O-CA 3.31Å; G23-G26 WeakPolarHBondContact O-CA 3.48Å; G23-G26 PolarHBondContact O-N 3.08Å; G23-A27 PolarHBondContact O-N 3.27Å
24E98.4Very high98.3Very high1 Ų118.7 Ų18.71%0.00510%0.096CC..Hα-helixtrans-60-39.3179.2-60-39.1131.600112.1D20 G26 N28 E54 H57 L58 F61 Y113D20-E24 VanDerWaalsContact O-CG 3.27Å; D20-E24 WeakPolarHBondContact O-CG 3.35Å; D20-E24 PolarHBondContact O-N 2.94Å; E24-G26 VanDerWaalsContact C-N 3.32Å; E24-G26 PolarHBondContact O-N 3Å; E24-N28 WeakPolarHBondContact O-CB 3.06Å; E24-N28 PolarHBondContact O-N 2.92Å; E24-E54 VanDerWaalsContact OE2-OE2 3.05Å; E24-H57 HydrophobicContact CB-CB 4.42Å; E24-H57 HydrophobicContact CG-CB 3.89Å; E24-H57 WeakPolarHBondContact OE2-CB 3.33Å; E24-H57 IonicContact OE2-CG 3.88Å; E24-H57 IonicContact OE2-ND1 2.69Å; E24-H57 PolarHBondContact OE2-ND1 3.33Å; E24-L58 HydrophobicContact CB-CB 4.05Å; E24-L58 HydrophobicContact CB-CD1 4.31Å; E24-F61 HydrophobicContact CG-CD2 3.5Å; E24-F61 HydrophobicContact CG-CE2 3.66Å; E24-Y113 PolarHBondContact OE1-OH 3.37Å
25L98.5Very high98.4Very high24 Ų2418.3 Ų18.313%0.1269%0.093CC..Hα-helixtrans-64-41172.7-179.766.5000111.3H21 A22 G23 R29 L58 L76H21-L25 WeakPolarHBondContact O-CB 3.13Å; H21-L25 PolarHBondContact O-N 3.3Å; A22-L25 PolarHBondContact O-N 3.42Å; G23-L25 VanDerWaalsContact C-N 3.32Å; G23-L25 PolarHBondContact O-N 3.16Å; L25-R29 HydrophobicContact CD1-CG 4.09Å; L25-R29 HydrophobicContact CG-CG 4.36Å; L25-R29 VanDerWaalsContact O-CB 3.3Å; L25-R29 WeakPolarHBondContact O-CB 3.1Å; L25-R29 WeakPolarHBondContact O-CG 3.41Å; L25-R29 PolarHBondContact O-N 3.38Å; L25-L58 HydrophobicContact CB-CD1 3.97Å; L25-L58 HydrophobicContact CD1-CD2 3.84Å; L25-L76 HydrophobicContact CB-CD1 4.33Å; L25-L76 HydrophobicContact CD2-CD1 3.4Å; L25-L76 VanDerWaalsContact CD2-CD1 3.4Å; L25-L76 HydrophobicContact CD2-CD2 4.06Å; L25-L76 HydrophobicContact CD2-CG 3.37Å
26G98.3Very high98.5Very high12 Ų1220.3 Ų20.312%0.12411%0.108CC..Hα-helixtrans-59.9-51.9176.200000111.9A22 G23 E24 R29 I30A22-G26 PolarHBondContact O-N 2.81Å; G23-G26 CarbonylContact O-C 3.54Å; G23-G26 VanDerWaalsContact O-CA 3.31Å; G23-G26 WeakPolarHBondContact O-CA 3.48Å; G23-G26 PolarHBondContact O-N 3.08Å; E24-G26 VanDerWaalsContact C-N 3.32Å; E24-G26 PolarHBondContact O-N 3Å; G26-R29 PolarHBondContact O-N 3.26Å; G26-I30 VanDerWaalsContact O-CG1 3.28Å; G26-I30 WeakPolarHBondContact O-CG1 3.48Å; G26-I30 PolarHBondContact O-N 2.78Å
27A98.6Very high98.5Very high2 Ų222.8 Ų22.82%0.01712%0.123CC..Hα-helixtrans-60.8-50.2178.900000111.7G23 R29 I30 Y31 E54 I109G23-A27 PolarHBondContact O-N 3.27Å; A27-R29 VanDerWaalsContact C-N 3.26Å; A27-R29 PolarHBondContact O-N 2.88Å; A27-I30 WeakPolarHBondContact O-CB 3.48Å; A27-I30 PolarHBondContact O-N 2.93Å; A27-Y31 VanDerWaalsContact O-CD2 3.25Å; A27-Y31 WeakPolarHBondContact O-CD2 3.28Å; A27-Y31 PolarHBondContact O-N 3.31Å; A27-E54 HydrophobicContact CB-CG 4.21Å; A27-E54 VanDerWaalsContact CB-OE2 3.27Å; A27-E54 WeakPolarHBondContact CB-OE2 3.28Å; A27-I109 HydrophobicContact CB-CD1 4.2Å
28N98.6Very high98.5Very high13 Ų1323.6 Ų23.67%0.0713%0.127CC..Hα-helixtrans-51.4-45.7173.7-179.9-96.3000112.2E24 Y31 Q32 E54 E55 L58E24-N28 WeakPolarHBondContact O-CB 3.06Å; E24-N28 PolarHBondContact O-N 2.92Å; N28-Y31 PolarHBondContact O-N 2.97Å; N28-Q32 WeakPolarHBondContact O-CB 3.3Å; N28-Q32 PolarHBondContact O-N 3.42Å; N28-E54 HydrophobicContact CB-CB 4.11Å; N28-E55 WeakPolarHBondContact ND2-CG 3.36Å; N28-L58 HydrophobicContact CB-CD2 4.32Å
29R98.8Very high98.5Very high60 Ų6023.7 Ų23.723%0.22614%0.138CC..Hα-helixtrans-70.5-32.7179.7-68.1-70.4-65-179.4-0.6112.9L25 G26 A27 G33 S80 F84L25-R29 HydrophobicContact CD1-CG 4.09Å; L25-R29 HydrophobicContact CG-CG 4.36Å; L25-R29 VanDerWaalsContact O-CB 3.3Å; L25-R29 WeakPolarHBondContact O-CB 3.1Å; L25-R29 WeakPolarHBondContact O-CG 3.41Å; L25-R29 PolarHBondContact O-N 3.38Å; G26-R29 PolarHBondContact O-N 3.26Å; A27-R29 VanDerWaalsContact C-N 3.26Å; A27-R29 PolarHBondContact O-N 2.88Å; R29-G33 PolarHBondContact O-N 3.1Å; R29-S80 PolarHBondContact NE-O 2.59Å; R29-S80 PolarHBondContact NE-OG 3.45Å; R29-F84 HydrophobicContact CB-CB 4.29Å; R29-F84 WeakPolarHBondContact O-CA 3.3Å
30I98.8Very high98.5Very high10 Ų1033.9 Ų33.95%0.05118%0.182CC..Hα-helixtrans-60.7-53.8172.1-71.1163.3000109.7G26 A27 Q32 G33 Q34 G83 L86 G87 V105G26-I30 VanDerWaalsContact O-CG1 3.28Å; G26-I30 WeakPolarHBondContact O-CG1 3.48Å; G26-I30 PolarHBondContact O-N 2.78Å; A27-I30 WeakPolarHBondContact O-CB 3.48Å; A27-I30 PolarHBondContact O-N 2.93Å; I30-Q32 VanDerWaalsContact C-N 3.29Å; I30-Q32 PolarHBondContact O-N 3.26Å; I30-G33 WeakPolarHBondContact O-CA 3.14Å; I30-G33 PolarHBondContact O-N 2.94Å; I30-G33 VanDerWaalsContact O-N 3.08Å; I30-Q34 HydrophobicContact CG2-CG 4.43Å; I30-Q34 WeakPolarHBondContact O-CG 3.42Å; I30-Q34 PolarHBondContact O-N 3.28Å; I30-G83 WeakPolarHBondContact CA-O 3.41Å; I30-G83 WeakPolarHBondContact CG1-O 3.32Å; I30-L86 HydrophobicContact CD1-CD2 4.01Å; I30-L86 HydrophobicContact CG1-CB 4.49Å; I30-L86 HydrophobicContact CG1-CD2 4.39Å; I30-G87 VanDerWaalsContact O-CA 3.31Å; I30-G87 WeakPolarHBondContact O-CA 3.44Å; I30-V105 HydrophobicContact CD1-CG1 4.26Å; I30-V105 HydrophobicContact CD1-CG2 3.9Å
31Y98.9Very high98.5Very high1 Ų135.4 Ų35.40%0.00419%0.193CC..Hα-helixtrans-64.1-36.1-179.6-67.7-63.8000112.5A27 N28 G33 Q34 L35 I47 M50 H51 E54 T102 E106A27-Y31 VanDerWaalsContact O-CD2 3.25Å; A27-Y31 WeakPolarHBondContact O-CD2 3.28Å; A27-Y31 PolarHBondContact O-N 3.31Å; N28-Y31 PolarHBondContact O-N 2.97Å; Y31-G33 VanDerWaalsContact C-N 3.33Å; Y31-G33 PolarHBondContact O-N 3.36Å; Y31-Q34 PolarHBondContact O-N 3.38Å; Y31-L35 WeakPolarHBondContact O-CB 3.39Å; Y31-L35 WeakPolarHBondContact O-CG 3.33Å; Y31-L35 PolarHBondContact O-N 3.4Å; Y31-I47 HydrophobicContact CD1-CG2 4.03Å; Y31-M50 HydrophobicContact CD1-CB 4.16Å; Y31-M50 HydrophobicContact CD1-CE 4.33Å; Y31-M50 HydrophobicContact CE1-CB 3.72Å; Y31-M50 HydrophobicContact CE1-CE 3.63Å; Y31-M50 HydrophobicContact CE1-CG 4.43Å; Y31-M50 HydrophobicContact CE1-SD 3.95Å; Y31-M50 HydrophobicContact CE2-CB 4.14Å; Y31-H51 HydrophobicContact CG-CB 4.45Å; Y31-E54 HydrophobicContact CD2-CB 4.42Å; Y31-E54 HydrophobicContact CD2-CG 3.42Å; Y31-E54 VanDerWaalsContact CD2-CG 3.42Å; Y31-E54 HydrophobicContact CE2-CG 3.42Å; Y31-E54 VanDerWaalsContact CE2-CG 3.42Å; Y31-T102 HydrophobicContact CE1-CG2 4.24Å; Y31-T102 WeakPolarHBondContact CE1-OG1 3.16Å; Y31-T102 VanDerWaalsContact OH-CG2 3.24Å; Y31-T102 WeakPolarHBondContact OH-CG2 3.02Å; Y31-E106 PolarHBondContact OH-OE1 3.46Å
32Q98.7Very high98.4Very high68 Ų6840.7 Ų40.732%0.31823%0.231SC..Hα-helixtrans-60-43.6172.7-170.417842.700111.9N28 I30 L35 I36 F84N28-Q32 WeakPolarHBondContact O-CB 3.3Å; N28-Q32 PolarHBondContact O-N 3.42Å; I30-Q32 VanDerWaalsContact C-N 3.29Å; I30-Q32 PolarHBondContact O-N 3.26Å; Q32-L35 PolarHBondContact O-N 2.86Å; Q32-I36 PolarHBondContact O-N 2.96Å; Q32-F84 HydrophobicContact CG-CE2 4.35Å
33G98.9Very high98.4Very high0 Ų040.9 Ų40.90%023%0.231CC..Hα-helixtrans-63-42.1174.800000112.5R29 I30 Y31 I36R29-G33 PolarHBondContact O-N 3.1Å; I30-G33 WeakPolarHBondContact O-CA 3.14Å; I30-G33 PolarHBondContact O-N 2.94Å; I30-G33 VanDerWaalsContact O-N 3.08Å; Y31-G33 VanDerWaalsContact C-N 3.33Å; Y31-G33 PolarHBondContact O-N 3.36Å; G33-I36 PolarHBondContact O-N 3.47Å
34Q98.9Very high98.4Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-63.3-41.8176.2-67.5-179.9-7.800112I30 Y31 I36 V37 L38 I47 G87 A91 A98 T102I30-Q34 HydrophobicContact CG2-CG 4.43Å; I30-Q34 WeakPolarHBondContact O-CG 3.42Å; I30-Q34 PolarHBondContact O-N 3.28Å; Y31-Q34 PolarHBondContact O-N 3.38Å; Q34-I36 VanDerWaalsContact C-N 3.28Å; Q34-I36 PolarHBondContact O-N 3.19Å; Q34-V37 PolarHBondContact O-N 3.03Å; Q34-V37 VanDerWaalsContact O-N 3.16Å; Q34-L38 PolarHBondContact O-N 3.48Å; Q34-I47 HydrophobicContact CB-CD1 4.27Å; Q34-I47 HydrophobicContact CB-CG2 3.86Å; Q34-G87 WeakPolarHBondContact CG-O 3.36Å; Q34-A91 HydrophobicContact CB-CB 4.24Å; Q34-A91 HydrophobicContact CG-CB 4.25Å; Q34-A98 HydrophobicContact CG-CB 4.22Å; Q34-A98 PolarHBondContact NE2-O 3.04Å; Q34-T102 PolarHBondContact NE2-OG1 2.96Å
35L98.9Very high98.4Very high39 Ų3943.9 Ų43.920%0.20425%0.246CC..Hα-helixtrans-63.4-30.6178.8-77.4172.2000113.4Y31 Q32 V37 G39 I47 K48 H51Y31-L35 WeakPolarHBondContact O-CB 3.39Å; Y31-L35 WeakPolarHBondContact O-CG 3.33Å; Y31-L35 PolarHBondContact O-N 3.4Å; Q32-L35 PolarHBondContact O-N 2.86Å; L35-V37 PolarHBondContact O-N 3.44Å; L35-G39 WeakPolarHBondContact O-CA 3.34Å; L35-G39 PolarHBondContact O-N 2.96Å; L35-I47 HydrophobicContact CD2-CB 3.93Å; L35-I47 HydrophobicContact CD2-CG2 3.73Å; L35-I47 HydrophobicContact CG-CB 4.4Å; L35-I47 HydrophobicContact CG-CG2 3.64Å; L35-K48 HydrophobicContact CD1-CD 3.98Å; L35-K48 HydrophobicContact CD2-CB 4.08Å; L35-H51 HydrophobicContact CD1-CB 3.93Å
36I98.5Very high98.4Very high113 Ų11347.5 Ų47.558%0.57926%0.261SS*.Hα-helixtrans-61.5-38175.6-74170.4000111.3Q32 G33 Q34 F84Q32-I36 PolarHBondContact O-N 2.96Å; G33-I36 PolarHBondContact O-N 3.47Å; Q34-I36 VanDerWaalsContact C-N 3.28Å; Q34-I36 PolarHBondContact O-N 3.19Å; I36-F84 HydrophobicContact CD1-CE1 4.49Å; I36-F84 HydrophobicContact CD1-CE2 3.38Å; I36-F84 HydrophobicContact CD1-CZ 3.25Å
37V98.7Very high98.4Very high53 Ų5346.9 Ų46.932%0.32126%0.255SS..Hα-helixtrans-91.9-45.5-175.7-177.60000111.3Q34 L35 V88 A91 L92Q34-V37 PolarHBondContact O-N 3.03Å; Q34-V37 VanDerWaalsContact O-N 3.16Å; L35-V37 PolarHBondContact O-N 3.44Å; V37-V88 HydrophobicContact CG2-CG1 4.14Å; V37-A91 HydrophobicContact CB-CB 3.69Å; V37-A91 HydrophobicContact CG1-CB 4.05Å; V37-A91 HydrophobicContact CG2-CB 4.07Å; V37-L92 HydrophobicContact CG1-CD2 3.98Å; V37-L92 HydrophobicContact CG1-CG 4.39Å; V37-L92 HydrophobicContact CG2-CD2 4.15Å; V37-L92 HydrophobicContact CG2-CG 4.14Å
38L98.6Very high98.4Very high16 Ų1651.2 Ų51.28%0.08427%0.273CS..Hα-helixtrans-108.61.6-169.6-66.3171.9000113.8Q34 K40 S41 I43 G44 I47 A91 A98Q34-L38 PolarHBondContact O-N 3.48Å; L38-K40 PolarHBondContact O-N 2.84Å; L38-K40 VanDerWaalsContact O-N 3.09Å; L38-S41 VanDerWaalsContact O-CB 3.26Å; L38-S41 WeakPolarHBondContact O-CB 3.34Å; L38-S41 PolarHBondContact O-N 3.3Å; L38-S41 PolarHBondContact O-OG 3.4Å; L38-I43 HydrophobicContact CB-CG2 4.44Å; L38-I43 HydrophobicContact CD1-CG2 4.46Å; L38-G44 WeakPolarHBondContact O-CA 3.5Å; L38-I47 HydrophobicContact CB-CD1 3.87Å; L38-I47 HydrophobicContact CD1-CD1 4.13Å; L38-A91 HydrophobicContact CD1-CB 3.67Å; L38-A91 HydrophobicContact CG-CB 3.93Å; L38-A98 HydrophobicContact CD1-CB 3.64Å
39G98Very high98.4Very high33 Ų3355.9 Ų55.934%0.3429%0.293SS..THydrogen-bonded Turntrans-60.4-25.3-174.700000114.9L35L35-G39 WeakPolarHBondContact O-CA 3.34Å; L35-G39 PolarHBondContact O-N 2.96Å
40K97.9Very high98.4Very high219 Ų21953.1 Ų53.195%0.95228%0.283SS*.THydrogen-bonded Turntrans-97.93174.9-62.6-175.5-179.1178.70114.1L38L38-K40 PolarHBondContact O-N 2.84Å; L38-K40 VanDerWaalsContact O-N 3.09Å
41S97.6Very high98.4Very high37 Ų3753.3 Ų53.326%0.25928%0.283SS..SBendtrans-83.4174.8177.1770000111.4L38 I43 G44L38-S41 VanDerWaalsContact O-CB 3.26Å; L38-S41 WeakPolarHBondContact O-CB 3.34Å; L38-S41 PolarHBondContact O-N 3.3Å; L38-S41 PolarHBondContact O-OG 3.4Å; S41-I43 PolarHBondContact O-N 2.98Å; S41-I43 WeakPolarHBondContact OG-CG2 3.36Å; S41-I43 PolarHBondContact OG-N 3.02Å; S41-G44 PolarHBondContact O-N 3.3Å; S41-G44 VanDerWaalsContact O-N 3.16Å; S41-G44 PolarHBondContact OG-N 3.48Å
42S96.5Very high98.4Very high121 Ų12155.9 Ų55.985%0.84630%0.297SS*.THydrogen-bonded Turntrans-60.4-28.2175.652.20000113.8
43I97.5Very high98.4Very high9 Ų953.9 Ų53.95%0.04629%0.288CS..THydrogen-bonded Turntrans-90.6-10.5179.2-161.1161.4000113.2L38 S41 K46 I47 M99 H152L38-I43 HydrophobicContact CB-CG2 4.44Å; L38-I43 HydrophobicContact CD1-CG2 4.46Å; S41-I43 PolarHBondContact O-N 2.98Å; S41-I43 WeakPolarHBondContact OG-CG2 3.36Å; S41-I43 PolarHBondContact OG-N 3.02Å; I43-K46 HydrophobicContact CG1-CB 4.27Å; I43-K46 WeakPolarHBondContact O-CB 3.46Å; I43-K46 PolarHBondContact O-N 2.9Å; I43-I47 HydrophobicContact CG1-CG1 4.37Å; I43-I47 HydrophobicContact CG2-CD1 3.81Å; I43-I47 HydrophobicContact CG2-CG1 4.46Å; I43-I47 PolarHBondContact O-N 3.27Å; I43-I47 VanDerWaalsContact O-N 3.13Å; I43-M99 HydrophobicContact CD1-CE 4.01Å; I43-M99 HydrophobicContact CD1-CG 3.41Å; I43-M99 VanDerWaalsContact CD1-CG 3.41Å; I43-M99 HydrophobicContact CD1-SD 3.48Å; I43-M99 WeakPolarHBondContact CD1-SD 3.31Å; I43-M99 HydrophobicContact CG1-SD 4.37Å; I43-H152 HydrophobicContact CD1-CB 3.6Å
44G98.4Very high98.3Very high2 Ų253.9 Ų53.92%0.02129%0.288CS..Hα-helixtrans-49.9-45.8-17900000114.3L38 S41 K46 I47 K48L38-G44 WeakPolarHBondContact O-CA 3.5Å; S41-G44 PolarHBondContact O-N 3.3Å; S41-G44 VanDerWaalsContact O-N 3.16Å; S41-G44 PolarHBondContact OG-N 3.48Å; G44-K46 VanDerWaalsContact C-N 3.27Å; G44-K46 PolarHBondContact O-N 3.48Å; G44-I47 PolarHBondContact O-N 2.64Å; G44-K48 WeakPolarHBondContact O-CB 3.17Å; G44-K48 PolarHBondContact O-N 2.87Å
45P98.5Very high98.3Very high90 Ų9058.5 Ų58.558%0.58431%0.309SS*.Hα-helixtrans-60.2-30.5175.9-2736.3000114.7K49P45-K49 PolarHBondContact O-N 3.15Å; P45-K49 VanDerWaalsContact O-N 3.14Å
46K98.3Very high98.3Very high99 Ų9962.3 Ų62.343%0.4333%0.326SS..Hα-helixtrans-77.4-44.1178.1-62.3-58.8174.3-178.10111.9I43 G44 K48 K49 M50I43-K46 HydrophobicContact CG1-CB 4.27Å; I43-K46 WeakPolarHBondContact O-CB 3.46Å; I43-K46 PolarHBondContact O-N 2.9Å; G44-K46 VanDerWaalsContact C-N 3.27Å; G44-K46 PolarHBondContact O-N 3.48Å; K46-K48 PolarHBondContact O-N 3.16Å; K46-K49 WeakPolarHBondContact O-CB 3.33Å; K46-K49 PolarHBondContact O-N 3.38Å; K46-K49 VanDerWaalsContact O-N 3.12Å; K46-M50 PolarHBondContact O-N 2.83Å
47I98.7Very high98.3Very high0 Ų056.9 Ų56.90%030%0.298CS..Hα-helixtrans-57.6-40.8172-58.1172.7000110Y31 Q34 L35 L38 I43 G44 M50 H51 M99Y31-I47 HydrophobicContact CD1-CG2 4.03Å; Q34-I47 HydrophobicContact CB-CD1 4.27Å; Q34-I47 HydrophobicContact CB-CG2 3.86Å; L35-I47 HydrophobicContact CD2-CB 3.93Å; L35-I47 HydrophobicContact CD2-CG2 3.73Å; L35-I47 HydrophobicContact CG-CB 4.4Å; L35-I47 HydrophobicContact CG-CG2 3.64Å; L38-I47 HydrophobicContact CB-CD1 3.87Å; L38-I47 HydrophobicContact CD1-CD1 4.13Å; I43-I47 HydrophobicContact CG1-CG1 4.37Å; I43-I47 HydrophobicContact CG2-CD1 3.81Å; I43-I47 HydrophobicContact CG2-CG1 4.46Å; I43-I47 PolarHBondContact O-N 3.27Å; I43-I47 VanDerWaalsContact O-N 3.13Å; G44-I47 PolarHBondContact O-N 2.64Å; I47-M50 HydrophobicContact CG1-CE 4.44Å; I47-M50 PolarHBondContact O-N 3.38Å; I47-H51 WeakPolarHBondContact O-CB 3.39Å; I47-H51 PolarHBondContact O-N 3.38Å; I47-M99 HydrophobicContact CD1-CE 4.22Å; I47-M99 HydrophobicContact CG1-CE 3.83Å
48K98.7Very high98.3Very high92 Ų9255.1 Ų55.140%0.429%0.287SS..Hα-helixtrans-63.7-41.4177.1-176.559.416777.20112.2L35 G44 K46 H51 D52L35-K48 HydrophobicContact CD1-CD 3.98Å; L35-K48 HydrophobicContact CD2-CB 4.08Å; G44-K48 WeakPolarHBondContact O-CB 3.17Å; G44-K48 PolarHBondContact O-N 2.87Å; K46-K48 PolarHBondContact O-N 3.16Å; K48-H51 PolarHBondContact O-N 2.89Å; K48-D52 IonicContact NZ-OD1 3.61Å; K48-D52 PolarHBondContact NZ-OD1 3.35Å; K48-D52 IonicContact NZ-OD2 3.53Å; K48-D52 PolarHBondContact NZ-OD2 3.36Å; K48-D52 PolarHBondContact O-N 2.98Å
49K98.6Very high98.3Very high111 Ų11160.1 Ų60.148%0.48331%0.308SS..Hα-helixtrans-60.6-48.8176.5-170.9-164.8170.6-150.50111.2P45 K46 D52 Q53P45-K49 PolarHBondContact O-N 3.15Å; P45-K49 VanDerWaalsContact O-N 3.14Å; K46-K49 WeakPolarHBondContact O-CB 3.33Å; K46-K49 PolarHBondContact O-N 3.38Å; K46-K49 VanDerWaalsContact O-N 3.12Å; K49-D52 PolarHBondContact O-N 3.44Å; K49-Q53 PolarHBondContact O-N 3.42Å
50M98.6Very high98.4Very high3 Ų361.4 Ų61.42%0.01530%0.304CS..Hα-helixtrans-62.2-45.7178.2-62.1-176.7-70.700111Y31 K46 I47 D52 Q53 E54 M99 T102 H145 T148Y31-M50 HydrophobicContact CD1-CB 4.16Å; Y31-M50 HydrophobicContact CD1-CE 4.33Å; Y31-M50 HydrophobicContact CE1-CB 3.72Å; Y31-M50 HydrophobicContact CE1-CE 3.63Å; Y31-M50 HydrophobicContact CE1-CG 4.43Å; Y31-M50 HydrophobicContact CE1-SD 3.95Å; Y31-M50 HydrophobicContact CE2-CB 4.14Å; K46-M50 PolarHBondContact O-N 2.83Å; I47-M50 HydrophobicContact CG1-CE 4.44Å; I47-M50 PolarHBondContact O-N 3.38Å; M50-D52 VanDerWaalsContact C-N 3.26Å; M50-D52 PolarHBondContact O-N 3.35Å; M50-Q53 PolarHBondContact O-N 3.33Å; M50-Q53 VanDerWaalsContact O-N 3.09Å; M50-E54 WeakPolarHBondContact O-CG 3.34Å; M50-E54 PolarHBondContact O-N 2.87Å; M50-M99 HydrophobicContact CE-CE 4.02Å; M50-M99 HydrophobicContact CE-SD 4.25Å; M50-T102 HydrophobicContact SD-CG2 4.15Å; M50-H145 HydrophobicContact SD-CB 4.12Å; M50-T148 HydrophobicContact CE-CG2 4.41Å; M50-T148 HydrophobicContact SD-CG2 4.03Å
51H98.7Very high98.4Very high14 Ų1451 Ų517%0.06526%0.259CS..Hα-helixtrans-54-41174.7179.2-94.3000113.2Y31 L35 I47 K48 E54 E55Y31-H51 HydrophobicContact CG-CB 4.45Å; L35-H51 HydrophobicContact CD1-CB 3.93Å; I47-H51 WeakPolarHBondContact O-CB 3.39Å; I47-H51 PolarHBondContact O-N 3.38Å; K48-H51 PolarHBondContact O-N 2.89Å; H51-E54 WeakPolarHBondContact O-CB 3.06Å; H51-E54 PolarHBondContact O-N 3.41Å; H51-E55 IonicContact CE1-OE1 3.3Å; H51-E55 PolarHBondContact CE1-OE1 3.08Å; H51-E55 VanDerWaalsContact CE1-OE1 3.3Å; H51-E55 IonicContact CE1-OE2 3.81Å; H51-E55 IonicContact ND1-OE2 3.55Å; H51-E55 WeakPolarHBondContact O-CG 3.46Å; H51-E55 PolarHBondContact O-N 3.36Å
52D98.7Very high98.4Very high55 Ų5553.9 Ų53.929%0.29427%0.268SS..Hα-helixtrans-69.5-35.6-179-65.8-10.3000111.5K48 K49 M50 E55 E56K48-D52 IonicContact NZ-OD1 3.61Å; K48-D52 PolarHBondContact NZ-OD1 3.35Å; K48-D52 IonicContact NZ-OD2 3.53Å; K48-D52 PolarHBondContact NZ-OD2 3.36Å; K48-D52 PolarHBondContact O-N 2.98Å; K49-D52 PolarHBondContact O-N 3.44Å; M50-D52 VanDerWaalsContact C-N 3.26Å; M50-D52 PolarHBondContact O-N 3.35Å; D52-E55 PolarHBondContact O-N 2.99Å; D52-E56 PolarHBondContact O-N 2.89Å
53Q98.3Very high98.5Very high25 Ų2552.4 Ų52.412%0.11725%0.248CC..Hα-helixtrans-65.9-43.9172.3-66.5178.4-10000110.7K49 M50 E55 E56 H57 H145K49-Q53 PolarHBondContact O-N 3.42Å; M50-Q53 PolarHBondContact O-N 3.33Å; M50-Q53 VanDerWaalsContact O-N 3.09Å; Q53-E55 VanDerWaalsContact C-N 3.3Å; Q53-E55 PolarHBondContact O-N 3.29Å; Q53-E56 WeakPolarHBondContact O-CA 3.34Å; Q53-E56 WeakPolarHBondContact O-CB 3.26Å; Q53-E56 PolarHBondContact O-N 3.28Å; Q53-H57 PolarHBondContact O-CD2 3.19Å; Q53-H57 PolarHBondContact O-N 2.97Å; Q53-H145 PolarHBondContact OE1-NE2 3.03Å
54E98.4Very high98.5Very high0 Ų052.5 Ų52.50%025%0.249CC..Hα-helixtrans-60.4-35.3173.8-67.4-48.1132.400113.6E24 A27 N28 Y31 M50 H51 E56 H57 L58 H145E24-E54 VanDerWaalsContact OE2-OE2 3.05Å; A27-E54 HydrophobicContact CB-CG 4.21Å; A27-E54 VanDerWaalsContact CB-OE2 3.27Å; A27-E54 WeakPolarHBondContact CB-OE2 3.28Å; N28-E54 HydrophobicContact CB-CB 4.11Å; Y31-E54 HydrophobicContact CD2-CB 4.42Å; Y31-E54 HydrophobicContact CD2-CG 3.42Å; Y31-E54 VanDerWaalsContact CD2-CG 3.42Å; Y31-E54 HydrophobicContact CE2-CG 3.42Å; Y31-E54 VanDerWaalsContact CE2-CG 3.42Å; M50-E54 WeakPolarHBondContact O-CG 3.34Å; M50-E54 PolarHBondContact O-N 2.87Å; H51-E54 WeakPolarHBondContact O-CB 3.06Å; H51-E54 PolarHBondContact O-N 3.41Å; E54-E56 VanDerWaalsContact C-N 3.27Å; E54-E56 PolarHBondContact O-N 3.24Å; E54-H57 PolarHBondContact O-N 2.88Å; E54-H57 IonicContact OE1-ND1 3.79Å; E54-H57 IonicContact OE2-ND1 3Å; E54-L58 VanDerWaalsContact O-CB 3.32Å; E54-L58 WeakPolarHBondContact O-CB 3.42Å; E54-L58 PolarHBondContact O-N 2.89Å; E54-H145 IonicContact OE1-CE1 3.33Å; E54-H145 PolarHBondContact OE1-CE1 3.09Å; E54-H145 IonicContact OE1-ND1 3.04Å; E54-H145 PolarHBondContact OE1-ND1 2.93Å
55E98.6Very high98.5Very high98 Ų9853.5 Ų53.546%0.45825%0.253SS..Hα-helixtrans-62.4-37.7173.5-76.8-172.9139.600111.3N28 H51 D52 Q53 K59N28-E55 WeakPolarHBondContact ND2-CG 3.36Å; H51-E55 IonicContact CE1-OE1 3.3Å; H51-E55 PolarHBondContact CE1-OE1 3.08Å; H51-E55 VanDerWaalsContact CE1-OE1 3.3Å; H51-E55 IonicContact CE1-OE2 3.81Å; H51-E55 IonicContact ND1-OE2 3.55Å; H51-E55 WeakPolarHBondContact O-CG 3.46Å; H51-E55 PolarHBondContact O-N 3.36Å; D52-E55 PolarHBondContact O-N 2.99Å; Q53-E55 VanDerWaalsContact C-N 3.3Å; Q53-E55 PolarHBondContact O-N 3.29Å; E55-K59 WeakPolarHBondContact O-CB 3.44Å; E55-K59 PolarHBondContact O-N 3.47Å
56E98.6Very high98.5Very high118 Ų11853.4 Ų53.455%0.55125%0.253SS*.Hα-helixtrans-68.7-41.9174.4-65.2-176.2-177.900111.9D52 Q53 E54 K59 K60D52-E56 PolarHBondContact O-N 2.89Å; Q53-E56 WeakPolarHBondContact O-CA 3.34Å; Q53-E56 WeakPolarHBondContact O-CB 3.26Å; Q53-E56 PolarHBondContact O-N 3.28Å; E54-E56 VanDerWaalsContact C-N 3.27Å; E54-E56 PolarHBondContact O-N 3.24Å; E56-K59 PolarHBondContact O-N 3.09Å; E56-K60 WeakPolarHBondContact O-CB 3.49Å; E56-K60 PolarHBondContact O-N 3.42Å
57H98.7Very high98.4Very high0 Ų054.2 Ų54.20%026%0.261CS..Hα-helixtrans-60.9-53.1176.6-60176000111.1E24 Q53 E54 K59 K60 F61 F138 E141 E142E24-H57 HydrophobicContact CB-CB 4.42Å; E24-H57 HydrophobicContact CG-CB 3.89Å; E24-H57 WeakPolarHBondContact OE2-CB 3.33Å; E24-H57 IonicContact OE2-CG 3.88Å; E24-H57 IonicContact OE2-ND1 2.69Å; E24-H57 PolarHBondContact OE2-ND1 3.33Å; Q53-H57 PolarHBondContact O-CD2 3.19Å; Q53-H57 PolarHBondContact O-N 2.97Å; E54-H57 PolarHBondContact O-N 2.88Å; E54-H57 IonicContact OE1-ND1 3.79Å; E54-H57 IonicContact OE2-ND1 3Å; H57-K59 VanDerWaalsContact C-N 3.32Å; H57-K59 PolarHBondContact O-N 3.46Å; H57-K60 WeakPolarHBondContact O-CB 3.25Å; H57-K60 PolarHBondContact O-N 3.2Å; H57-K60 VanDerWaalsContact O-N 3.07Å; H57-F61 VanDerWaalsContact O-CD2 3.32Å; H57-F61 WeakPolarHBondContact O-CD2 3.36Å; H57-F61 PolarHBondContact O-N 3.17Å; H57-F61 VanDerWaalsContact O-N 3.14Å; H57-F138 HydrophobicContact CB-CD2 4.22Å; H57-F138 HydrophobicContact CB-CE2 4.02Å; H57-F138 HydrophobicContact CB-CZ 4.23Å; H57-F138 AromaticContact CD2-CD1 3.37Å; H57-F138 WeakPolarHBondContact CD2-CD1 3.37Å; H57-F138 AromaticContact CD2-CE1 3.38Å; H57-F138 WeakPolarHBondContact CD2-CE1 3.46Å; H57-F138 AromaticContact CD2-CG 3.83Å; H57-F138 AromaticContact CD2-CZ 3.83Å; H57-F138 AromaticContact NE2-CD1 3.6Å; H57-E141 IonicContact CD2-OE2 2.7Å; H57-E141 IonicContact NE2-OE2 3.74Å; H57-E141 PolarHBondContact NE2-OE2 2.94Å; H57-E141 VanDerWaalsContact NE2-OE2 3.09Å; H57-E142 IonicContact CE1-OE1 3.91Å; H57-E142 PolarHBondContact CE1-OE1 2.88Å; H57-E142 IonicContact ND1-OE1 2.86Å; H57-E142 PolarHBondContact ND1-OE1 2.95Å
58L98.6Very high98.3Very high15 Ų1557.2 Ų57.28%0.07927%0.274CS..Hα-helixtrans-57.3-46178.5175.958.5000111.3E24 L25 N28 E54 K60 F61 Q62E24-L58 HydrophobicContact CB-CB 4.05Å; E24-L58 HydrophobicContact CB-CD1 4.31Å; L25-L58 HydrophobicContact CB-CD1 3.97Å; L25-L58 HydrophobicContact CD1-CD2 3.84Å; N28-L58 HydrophobicContact CB-CD2 4.32Å; E54-L58 VanDerWaalsContact O-CB 3.32Å; E54-L58 WeakPolarHBondContact O-CB 3.42Å; E54-L58 PolarHBondContact O-N 2.89Å; L58-K60 VanDerWaalsContact C-N 3.29Å; L58-K60 PolarHBondContact O-N 2.85Å; L58-F61 PolarHBondContact O-N 3.21Å; L58-Q62 HydrophobicContact CD1-CG 4.31Å; L58-Q62 VanDerWaalsContact O-CG 3.32Å; L58-Q62 WeakPolarHBondContact O-CG 3.33Å; L58-Q62 PolarHBondContact O-N 3.16Å
59K98.7Very high98.1Very high121 Ų12163.5 Ų63.553%0.52630%0.296SS..Hα-helixtrans-58.6-42.7177.4-179.1-177.5174.4-170.60111.3E55 E56 H57 F61 Q62 E63E55-K59 WeakPolarHBondContact O-CB 3.44Å; E55-K59 PolarHBondContact O-N 3.47Å; E56-K59 PolarHBondContact O-N 3.09Å; H57-K59 VanDerWaalsContact C-N 3.32Å; H57-K59 PolarHBondContact O-N 3.46Å; K59-F61 PolarHBondContact O-N 3.08Å; K59-Q62 WeakPolarHBondContact O-CB 3.49Å; K59-Q62 PolarHBondContact O-N 3.42Å; K59-E63 VanDerWaalsContact CE-OE1 3.32Å; K59-E63 WeakPolarHBondContact CE-OE1 3.32Å; K59-E63 WeakPolarHBondContact O-CG 3.24Å; K59-E63 PolarHBondContact O-N 3.18Å
60K98.7Very high98.1Very high60 Ų6058.7 Ų58.726%0.26128%0.275SS..Hα-helixtrans-61-43.1178.7-179.259.1177.5179.70111.9E56 H57 L58 E63 L64 T134 F138E56-K60 WeakPolarHBondContact O-CB 3.49Å; E56-K60 PolarHBondContact O-N 3.42Å; H57-K60 WeakPolarHBondContact O-CB 3.25Å; H57-K60 PolarHBondContact O-N 3.2Å; H57-K60 VanDerWaalsContact O-N 3.07Å; L58-K60 VanDerWaalsContact C-N 3.29Å; L58-K60 PolarHBondContact O-N 2.85Å; K60-E63 WeakPolarHBondContact O-CB 3.33Å; K60-E63 PolarHBondContact O-N 3.13Å; K60-L64 HydrophobicContact CG-CD1 4.3Å; K60-L64 WeakPolarHBondContact O-CG 3.48Å; K60-L64 PolarHBondContact O-N 2.9Å; K60-T134 HydrophobicContact CD-CG2 4.4Å; K60-T134 HydrophobicContact CG-CG2 3.64Å; K60-F138 HydrophobicContact CB-CE2 3.81Å; K60-F138 HydrophobicContact CB-CZ 3.55Å; K60-F138 HydrophobicContact CG-CE2 3.86Å; K60-F138 HydrophobicContact CG-CZ 3.69Å
61F98.4Very high98Very high0 Ų065.9 Ų65.90%030%0.302CS..Hα-helixtrans-71.2-31.8176.6-72.8-75.1000113.6I17 D20 H21 E24 H57 L58 K59 E63 L64 I65 Y113 L135 F138I17-F61 HydrophobicContact CG2-CD1 4.41Å; D20-F61 HydrophobicContact CB-CD1 3.83Å; D20-F61 HydrophobicContact CB-CD2 4.13Å; D20-F61 HydrophobicContact CB-CE1 3.33Å; D20-F61 HydrophobicContact CB-CE2 3.66Å; D20-F61 HydrophobicContact CB-CG 4.2Å; D20-F61 HydrophobicContact CB-CZ 3.24Å; H21-F61 HydrophobicContact CB-CB 3.87Å; E24-F61 HydrophobicContact CG-CD2 3.5Å; E24-F61 HydrophobicContact CG-CE2 3.66Å; H57-F61 VanDerWaalsContact O-CD2 3.32Å; H57-F61 WeakPolarHBondContact O-CD2 3.36Å; H57-F61 PolarHBondContact O-N 3.17Å; H57-F61 VanDerWaalsContact O-N 3.14Å; L58-F61 PolarHBondContact O-N 3.21Å; K59-F61 PolarHBondContact O-N 3.08Å; F61-E63 PolarHBondContact O-N 3.26Å; F61-L64 HydrophobicContact CD1-CD1 3.92Å; F61-L64 HydrophobicContact CE1-CD1 4.12Å; F61-L64 PolarHBondContact O-N 2.75Å; F61-I65 WeakPolarHBondContact O-CG1 3.39Å; F61-I65 PolarHBondContact O-N 3.48Å; F61-Y113 VanDerWaalsContact CE2-OH 3.24Å; F61-Y113 WeakPolarHBondContact CE2-OH 3.37Å; F61-Y113 HydrophobicContact CZ-CE1 4.14Å; F61-Y113 WeakPolarHBondContact CZ-OH 3.28Å; F61-L135 HydrophobicContact CE1-CD2 4.29Å; F61-L135 HydrophobicContact CZ-CD2 4.04Å; F61-F138 HydrophobicContact CD2-CE2 4.17Å; F61-F138 AromaticContact CE2-CD2 3.58Å; F61-F138 HydrophobicContact CE2-CD2 3.58Å; F61-F138 AromaticContact CE2-CE2 3.62Å; F61-F138 HydrophobicContact CE2-CE2 3.62Å; F61-F138 HydrophobicContact CZ-CD2 4.05Å; F61-F138 HydrophobicContact CZ-CE2 4.25Å
62Q98.4Very high98Very high99 Ų9967.4 Ų67.446%0.46331%0.313SS..Hα-helixtrans-61.2-33.9170.5-72.1173.1-8.200112.2L58 K59 P66L58-Q62 HydrophobicContact CD1-CG 4.31Å; L58-Q62 VanDerWaalsContact O-CG 3.32Å; L58-Q62 WeakPolarHBondContact O-CG 3.33Å; L58-Q62 PolarHBondContact O-N 3.16Å; K59-Q62 WeakPolarHBondContact O-CB 3.49Å; K59-Q62 PolarHBondContact O-N 3.42Å; Q62-P66 WeakPolarHBondContact O-CD 3.28Å
63E98.5Very high97.9Very high89 Ų8965 Ų6542%0.41630%0.301SS..Hα-helixtrans-72.9-38.3172.6-67.9170.9-177.200112.2K59 K60 F61 P66 I67K59-E63 VanDerWaalsContact CE-OE1 3.32Å; K59-E63 WeakPolarHBondContact CE-OE1 3.32Å; K59-E63 WeakPolarHBondContact O-CG 3.24Å; K59-E63 PolarHBondContact O-N 3.18Å; K60-E63 WeakPolarHBondContact O-CB 3.33Å; K60-E63 PolarHBondContact O-N 3.13Å; F61-E63 PolarHBondContact O-N 3.26Å; E63-P66 VanDerWaalsContact O-CD 3.28Å; E63-P66 WeakPolarHBondContact O-CD 3.31Å; E63-P66 WeakPolarHBondContact O-CG 3.5Å; E63-I67 VanDerWaalsContact O-CD1 3.28Å; E63-I67 WeakPolarHBondContact O-CD1 3.33Å; E63-I67 VanDerWaalsContact O-CG1 3.3Å; E63-I67 WeakPolarHBondContact O-CG1 3.33Å
64L98.2Very high97.7Very high11 Ų1169.1 Ų69.16%0.05832%0.323CS..Hα-helixtrans-70.5-32.5-179.8-70.2173.1000113.3I17 K60 F61 I67 H68 L131I17-L64 HydrophobicContact CD1-CB 4.21Å; I17-L64 HydrophobicContact CG1-CB 4.49Å; I17-L64 HydrophobicContact CG2-CB 4.25Å; K60-L64 HydrophobicContact CG-CD1 4.3Å; K60-L64 WeakPolarHBondContact O-CG 3.48Å; K60-L64 PolarHBondContact O-N 2.9Å; F61-L64 HydrophobicContact CD1-CD1 3.92Å; F61-L64 HydrophobicContact CE1-CD1 4.12Å; F61-L64 PolarHBondContact O-N 2.75Å; L64-I67 PolarHBondContact O-N 3.26Å; L64-H68 PolarHBondContact O-CD2 3Å; L64-H68 PolarHBondContact O-N 3.41Å; L64-L131 HydrophobicContact CD1-CD1 3.98Å
65I98.4Very high97.6Very high24 Ų2470.9 Ų70.912%0.12333%0.332CS..Hα-helixtrans-50.6-58.6178.4-83162.8000112.9I17 H21 F61 I67 R69 V70 P72I17-I65 HydrophobicContact CG2-CG1 3.89Å; H21-I65 HydrophobicContact CB-CD1 3.92Å; H21-I65 VanDerWaalsContact CD2-CD1 3.49Å; H21-I65 WeakPolarHBondContact CD2-CD1 3.25Å; H21-I65 WeakPolarHBondContact ND1-CD1 3.29Å; F61-I65 WeakPolarHBondContact O-CG1 3.39Å; F61-I65 PolarHBondContact O-N 3.48Å; I65-I67 PolarHBondContact O-N 3Å; I65-R69 WeakPolarHBondContact O-CA 3.05Å; I65-R69 PolarHBondContact O-N 2.86Å; I65-V70 WeakPolarHBondContact CG2-O 3.3Å; I65-V70 PolarHBondContact O-N 2.97Å; I65-P72 HydrophobicContact CD1-CG 3.99Å; I65-P72 HydrophobicContact CG2-CG 4.29Å
66P97.7Very high97.5Very high87 Ų8768 Ų6857%0.56532%0.32SS*.Hα-helixtrans-69.4-32.9-179.526.5-34.7000112.7Q62 E63 R69Q62-P66 WeakPolarHBondContact O-CD 3.28Å; E63-P66 VanDerWaalsContact O-CD 3.28Å; E63-P66 WeakPolarHBondContact O-CD 3.31Å; E63-P66 WeakPolarHBondContact O-CG 3.5Å; P66-R69 PolarHBondContact O-N 3.09Å
67I96.2Very high97.5Very high117 Ų11766.6 Ų66.660%0.632%0.321SS*.Hα-helixtrans-60.9-47.4178.4-68.9170.7000110.4E63 L64 I65E63-I67 VanDerWaalsContact O-CD1 3.28Å; E63-I67 WeakPolarHBondContact O-CD1 3.33Å; E63-I67 VanDerWaalsContact O-CG1 3.3Å; E63-I67 WeakPolarHBondContact O-CG1 3.33Å; L64-I67 PolarHBondContact O-N 3.26Å; I65-I67 PolarHBondContact O-N 3Å
68H95.6Very high97.4Very high63 Ų6371.5 Ų71.529%0.29235%0.347SS..Hα-helixtrans-92.9-0.4-178.3-66.6-75.1000113.6I17 L64 V70 Y128I17-H68 HydrophobicContact CD1-CB 3.65Å; I17-H68 WeakPolarHBondContact CD1-CD2 3.33Å; L64-H68 PolarHBondContact O-CD2 3Å; L64-H68 PolarHBondContact O-N 3.41Å; H68-V70 HydrophobicContact CB-CG2 3.73Å; H68-V70 PolarHBondContact O-N 3.45Å; H68-Y128 AromaticContact CE1-CE1 3.85Å
69R96.5Very high97.3Very high224 Ų22471.7 Ų71.785%0.84535%0.346SS*.THydrogen-bonded Turntrans55.337-176.7-54.1-179.6-179.9-171.1-1112.8I65 P66I65-R69 WeakPolarHBondContact O-CA 3.05Å; I65-R69 PolarHBondContact O-N 2.86Å; P66-R69 PolarHBondContact O-N 3.09Å
70V97.5Very high97.3Very high9 Ų967.1 Ų67.16%0.05533%0.33CS..PPolyproline II helixtrans-77.4139179.3176.50000108.9D14 I17 R18 I65 H68D14-V70 HydrophobicContact CB-CG2 4.35Å; D14-V70 WeakPolarHBondContact O-CG1 3.17Å; D14-V70 WeakPolarHBondContact OD1-CA 3.5Å; I17-V70 HydrophobicContact CB-CB 4.39Å; I17-V70 HydrophobicContact CB-CG1 4.18Å; I17-V70 HydrophobicContact CB-CG2 3.99Å; I17-V70 HydrophobicContact CD1-CG2 4.02Å; I17-V70 HydrophobicContact CG2-CB 3.98Å; I17-V70 HydrophobicContact CG2-CG1 3.99Å; I17-V70 HydrophobicContact CG2-CG2 3.98Å; R18-V70 HydrophobicContact CB-CG1 3.88Å; I65-V70 WeakPolarHBondContact CG2-O 3.3Å; I65-V70 PolarHBondContact O-N 2.97Å; H68-V70 HydrophobicContact CB-CG2 3.73Å; H68-V70 PolarHBondContact O-N 3.45Å
71R97.2Very high97.3Very high154 Ų15469.7 Ų69.758%0.58135%0.345SS*.PPolyproline II helixtrans-88.2124172.1-174.4-173.6167.2166-1.4108.8R18 L74R18-R71 WeakPolarHBondContact CD-O 3.46Å; R71-L74 VanDerWaalsContact NH2-CD2 3.29Å
72P97.4Very high97.3Very high46 Ų4672.1 Ų72.130%0.29937%0.365SS..PPolyproline II helixtrans-59.1146.9168.8-2132.4000110.5I65I65-P72 HydrophobicContact CD1-CG 3.99Å; I65-P72 HydrophobicContact CG2-CG 4.29Å
73T96.5Very high97.3Very high6 Ų667.7 Ų67.74%0.03735%0.346CS..PPolyproline II helixtrans-53.3147.1171.5-178.20000112.9A22 L75 L76 W79 I181A22-T73 HydrophobicContact CB-CG2 4.06Å; T73-L75 PolarHBondContact O-N 3.24Å; T73-L75 PolarHBondContact OG1-N 2.84Å; T73-L75 VanDerWaalsContact OG1-N 3.15Å; T73-L76 HydrophobicContact CG2-CB 3.92Å; T73-L76 HydrophobicContact CG2-CD1 4.04Å; T73-W79 HydrophobicContact CG2-CE3 3.69Å; T73-W79 HydrophobicContact CG2-CH2 3.78Å; T73-W79 HydrophobicContact CG2-CZ3 3.05Å; T73-W79 VanDerWaalsContact OG1-CH2 3.28Å; T73-W79 WeakPolarHBondContact OG1-CH2 3.34Å; T73-I181 WeakPolarHBondContact CA-O 3.4Å; T73-I181 WeakPolarHBondContact CB-O 3.33Å; T73-I181 PolarHBondContact OG1-O 3.23Å
74L95.8Very high97.3Very high111 Ų11166.2 Ų66.258%0.58134%0.338SS*.THydrogen-bonded Turntrans-70.5-17.5170.9-69.1176.7000113.5R71 L76 P77 I181R71-L74 VanDerWaalsContact NH2-CD2 3.29Å; L74-L76 VanDerWaalsContact C-N 3.27Å; L74-L76 PolarHBondContact O-N 3.49Å; L74-P77 WeakPolarHBondContact O-CD 3.38Å; L74-I181 HydrophobicContact CB-CG2 4.03Å; L74-I181 PolarHBondContact N-OXT 3.13Å
75L96.4Very high97.4Very high37 Ų3768.4 Ų68.419%0.19436%0.358CS..THydrogen-bonded Turntrans-86.32.4-177.5-61.9176.6000113.1T73 P77 L78 W79 L177 I181T73-L75 PolarHBondContact O-N 3.24Å; T73-L75 PolarHBondContact OG1-N 2.84Å; T73-L75 VanDerWaalsContact OG1-N 3.15Å; L75-P77 VanDerWaalsContact C-CD 3.47Å; L75-L78 HydrophobicContact CD2-CD2 4.24Å; L75-L78 WeakPolarHBondContact O-CA 3.44Å; L75-L78 WeakPolarHBondContact O-CB 3.35Å; L75-L78 PolarHBondContact O-N 3.2Å; L75-W79 HydrophobicContact CB-CD2 4Å; L75-W79 HydrophobicContact CB-CE3 4.27Å; L75-W79 HydrophobicContact CB-CH2 3.62Å; L75-W79 HydrophobicContact CB-CZ2 3.39Å; L75-W79 HydrophobicContact CB-CZ3 4.15Å; L75-W79 HydrophobicContact CD1-CH2 4.03Å; L75-W79 HydrophobicContact CD1-CZ2 3.45Å; L75-W79 VanDerWaalsContact CD1-CZ2 3.45Å; L75-W79 HydrophobicContact CG-CH2 4.37Å; L75-W79 HydrophobicContact CG-CZ2 4.05Å; L75-W79 PolarHBondContact O-N 2.89Å; L75-L177 HydrophobicContact CD1-CB 3.78Å; L75-L177 HydrophobicContact CD1-CD1 4.28Å; L75-I181 HydrophobicContact CD1-CB 4.31Å; L75-I181 HydrophobicContact CD1-CD1 4.14Å; L75-I181 HydrophobicContact CD1-CG2 4.28Å; L75-I181 HydrophobicContact CG-CG2 3.99Å
76L96.5Very high97.4Very high37 Ų3770 Ų7019%0.19437%0.367CS..Hα-helixtrans-51.4-45.1-178.9-159.872.4000113.6A22 L25 T73 L74 L78 W79 S80A22-L76 HydrophobicContact CB-CD1 4.3Å; L25-L76 HydrophobicContact CB-CD1 4.33Å; L25-L76 HydrophobicContact CD2-CD1 3.4Å; L25-L76 VanDerWaalsContact CD2-CD1 3.4Å; L25-L76 HydrophobicContact CD2-CD2 4.06Å; L25-L76 HydrophobicContact CD2-CG 3.37Å; T73-L76 HydrophobicContact CG2-CB 3.92Å; T73-L76 HydrophobicContact CG2-CD1 4.04Å; L74-L76 VanDerWaalsContact C-N 3.27Å; L74-L76 PolarHBondContact O-N 3.49Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.24Å; L76-W79 PolarHBondContact O-N 3.49Å; L76-S80 PolarHBondContact O-N 3.35Å
77P97.6Very high97.4Very high89 Ų8965.9 Ų65.958%0.57834%0.34SS*.Hα-helixtrans-65.1-35.8177.3-20.734.6000112.8L74 L75 S80 I81L74-P77 WeakPolarHBondContact O-CD 3.38Å; L75-P77 VanDerWaalsContact C-CD 3.47Å; P77-S80 PolarHBondContact O-N 3.2Å; P77-I81 WeakPolarHBondContact O-CG1 3.45Å; P77-I81 PolarHBondContact O-N 2.99Å
78L97.3Very high97.5Very high102 Ų10261.8 Ų61.853%0.53432%0.32SS..Hα-helixtrans-65.2-45.2177.5177.264000110.6L75 L76 S80 I81 A82L75-L78 HydrophobicContact CD2-CD2 4.24Å; L75-L78 WeakPolarHBondContact O-CA 3.44Å; L75-L78 WeakPolarHBondContact O-CB 3.35Å; L75-L78 PolarHBondContact O-N 3.2Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.24Å; L78-S80 VanDerWaalsContact C-N 3.35Å; L78-I81 PolarHBondContact O-N 3.02Å; L78-A82 WeakPolarHBondContact O-CB 3.46Å; L78-A82 PolarHBondContact O-N 3.13Å
79W96.8Very high97.7Very high20 Ų2060.3 Ų60.38%0.07632%0.322CS..Hα-helixtrans-68.7-33.3178.5-61.5-32.8000113A22 T73 L75 L76 I81 A82 G83 L177 A178A22-W79 HydrophobicContact CB-CE3 3.29Å; A22-W79 HydrophobicContact CB-CH2 4.41Å; A22-W79 HydrophobicContact CB-CZ3 3.19Å; T73-W79 HydrophobicContact CG2-CE3 3.69Å; T73-W79 HydrophobicContact CG2-CH2 3.78Å; T73-W79 HydrophobicContact CG2-CZ3 3.05Å; T73-W79 VanDerWaalsContact OG1-CH2 3.28Å; T73-W79 WeakPolarHBondContact OG1-CH2 3.34Å; L75-W79 HydrophobicContact CB-CD2 4Å; L75-W79 HydrophobicContact CB-CE3 4.27Å; L75-W79 HydrophobicContact CB-CH2 3.62Å; L75-W79 HydrophobicContact CB-CZ2 3.39Å; L75-W79 HydrophobicContact CB-CZ3 4.15Å; L75-W79 HydrophobicContact CD1-CH2 4.03Å; L75-W79 HydrophobicContact CD1-CZ2 3.45Å; L75-W79 VanDerWaalsContact CD1-CZ2 3.45Å; L75-W79 HydrophobicContact CG-CH2 4.37Å; L75-W79 HydrophobicContact CG-CZ2 4.05Å; L75-W79 PolarHBondContact O-N 2.89Å; L76-W79 PolarHBondContact O-N 3.49Å; W79-I81 VanDerWaalsContact C-N 3.31Å; W79-I81 PolarHBondContact O-N 2.84Å; W79-A82 PolarHBondContact O-N 3.37Å; W79-G83 PolarHBondContact O-N 3.19Å; W79-L177 HydrophobicContact CZ2-CB 4.2Å; W79-A178 HydrophobicContact CH2-CB 3.22Å; W79-A178 HydrophobicContact CZ2-CB 4.06Å; W79-A178 HydrophobicContact CZ3-CB 3.59Å
80S98.4Very high97.8Very high25 Ų2549.9 Ų49.918%0.17528%0.283CS..Hα-helixtrans-60.8-40.3172.7-173.70000112.8R29 L76 P77 L78 F84R29-S80 PolarHBondContact NE-O 2.59Å; R29-S80 PolarHBondContact NE-OG 3.45Å; L76-S80 PolarHBondContact O-N 3.35Å; P77-S80 PolarHBondContact O-N 3.2Å; L78-S80 VanDerWaalsContact C-N 3.35Å; S80-F84 WeakPolarHBondContact O-CB 3.44Å; S80-F84 PolarHBondContact O-N 3.28Å
81I98.6Very high97.8Very high114 Ų11449.5 Ų49.559%0.58528%0.281SS*.Hα-helixtrans-72.3-47.5176.2-65.9166.6000110.4P77 L78 W79 F84 A85P77-I81 WeakPolarHBondContact O-CG1 3.45Å; P77-I81 PolarHBondContact O-N 2.99Å; L78-I81 PolarHBondContact O-N 3.02Å; W79-I81 VanDerWaalsContact C-N 3.31Å; W79-I81 PolarHBondContact O-N 2.84Å; I81-F84 PolarHBondContact O-N 2.85Å; I81-A85 WeakPolarHBondContact O-CB 3.43Å; I81-A85 PolarHBondContact O-N 3.26Å
82A98.3Very high97.9Very high51 Ų5148 Ų4842%0.42128%0.284SS..Hα-helixtrans-63.2-45.5-177.400000112.1L78 W79 A85 L86L78-A82 WeakPolarHBondContact O-CB 3.46Å; L78-A82 PolarHBondContact O-N 3.13Å; W79-A82 PolarHBondContact O-N 3.37Å; A82-A85 PolarHBondContact O-N 3.47Å; A82-L86 WeakPolarHBondContact O-CB 3.36Å; A82-L86 PolarHBondContact O-N 2.99Å
83G98.6Very high97.9Very high6 Ų651.5 Ų51.56%0.06230%0.3CS..Hα-helixtrans-60.1-47.9175.900000111.5I30 W79 A85 L86 G87I30-G83 WeakPolarHBondContact CA-O 3.41Å; I30-G83 WeakPolarHBondContact CG1-O 3.32Å; W79-G83 PolarHBondContact O-N 3.19Å; G83-A85 PolarHBondContact O-N 2.92Å; G83-L86 PolarHBondContact O-N 3.05Å; G83-G87 PolarHBondContact O-N 2.93Å
84F98.8Very high97.9Very high57 Ų5752.6 Ų52.625%0.2531%0.312CS..Hα-helixtrans-60.2-45.3176.7-175.7-92.4000113R29 Q32 I36 S80 I81 L86 G87 V88R29-F84 HydrophobicContact CB-CB 4.29Å; R29-F84 WeakPolarHBondContact O-CA 3.3Å; Q32-F84 HydrophobicContact CG-CE2 4.35Å; I36-F84 HydrophobicContact CD1-CE1 4.49Å; I36-F84 HydrophobicContact CD1-CE2 3.38Å; I36-F84 HydrophobicContact CD1-CZ 3.25Å; S80-F84 WeakPolarHBondContact O-CB 3.44Å; S80-F84 PolarHBondContact O-N 3.28Å; I81-F84 PolarHBondContact O-N 2.85Å; F84-L86 VanDerWaalsContact C-N 3.34Å; F84-L86 PolarHBondContact O-N 3.43Å; F84-G87 PolarHBondContact O-N 2.93Å; F84-V88 HydrophobicContact CD1-CG2 4.17Å; F84-V88 HydrophobicContact CE1-CG2 3.78Å; F84-V88 HydrophobicContact CZ-CG2 4.04Å; F84-V88 WeakPolarHBondContact O-CG2 3.49Å; F84-V88 PolarHBondContact O-N 2.98Å
85A98.7Very high98.1Very high57 Ų5749.1 Ų49.147%0.47130%0.297SS..Hα-helixtrans-63.6-39.7177.900000112.1I81 A82 G83 G89I81-A85 WeakPolarHBondContact O-CB 3.43Å; I81-A85 PolarHBondContact O-N 3.26Å; A82-A85 PolarHBondContact O-N 3.47Å; G83-A85 PolarHBondContact O-N 2.92Å; A85-G89 PolarHBondContact O-N 2.91Å
86L98.6Very high98.1Very high58 Ų5851 Ų5130%0.30430%0.303SS..Hα-helixtrans-64.7-42.6175-179.662.7000111.5I30 A82 G83 F84 G89 S90 V105 I167I30-L86 HydrophobicContact CD1-CD2 4.01Å; I30-L86 HydrophobicContact CG1-CB 4.49Å; I30-L86 HydrophobicContact CG1-CD2 4.39Å; A82-L86 WeakPolarHBondContact O-CB 3.36Å; A82-L86 PolarHBondContact O-N 2.99Å; G83-L86 PolarHBondContact O-N 3.05Å; F84-L86 VanDerWaalsContact C-N 3.34Å; F84-L86 PolarHBondContact O-N 3.43Å; L86-G89 PolarHBondContact O-N 3.47Å; L86-S90 WeakPolarHBondContact O-CB 3.46Å; L86-S90 PolarHBondContact O-N 3.2Å; L86-S90 PolarHBondContact O-OG 3.03Å; L86-V105 HydrophobicContact CD2-CG2 4.44Å; L86-I167 HydrophobicContact CD1-CD1 4.05Å; L86-I167 HydrophobicContact CD1-CG1 4.04Å; L86-I167 HydrophobicContact CD2-CG1 4.42Å; L86-I167 HydrophobicContact CD2-CG2 4.27Å
87G98.8Very high98.2Very high0 Ų049.2 Ų49.20%029%0.294CS..Hα-helixtrans-60.4-50.9175.300000113.1I30 Q34 G83 F84 S90 A91I30-G87 VanDerWaalsContact O-CA 3.31Å; I30-G87 WeakPolarHBondContact O-CA 3.44Å; Q34-G87 WeakPolarHBondContact CG-O 3.36Å; G83-G87 PolarHBondContact O-N 2.93Å; F84-G87 PolarHBondContact O-N 2.93Å; G87-S90 PolarHBondContact O-OG 3.02Å; G87-S90 VanDerWaalsContact O-OG 3.09Å; G87-A91 WeakPolarHBondContact O-CB 3.49Å; G87-A91 PolarHBondContact O-N 3.21Å; G87-A91 VanDerWaalsContact O-N 3.1Å
88V98.8Very high98.3Very high32 Ų3245 Ų4519%0.19427%0.267CS..Hα-helixtrans-61.7-47.3175.1172.70000110.9V37 F84 A91 L92V37-V88 HydrophobicContact CG2-CG1 4.14Å; F84-V88 HydrophobicContact CD1-CG2 4.17Å; F84-V88 HydrophobicContact CE1-CG2 3.78Å; F84-V88 HydrophobicContact CZ-CG2 4.04Å; F84-V88 WeakPolarHBondContact O-CG2 3.49Å; F84-V88 PolarHBondContact O-N 2.98Å; V88-A91 PolarHBondContact O-N 2.88Å; V88-L92 HydrophobicContact CG1-CD1 3.83Å; V88-L92 HydrophobicContact CG1-CG 4.22Å; V88-L92 WeakPolarHBondContact O-CB 3.34Å; V88-L92 VanDerWaalsContact O-CG 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.4Å; V88-L92 PolarHBondContact O-N 2.9Å
89G98.3Very high98.4Very high32 Ų3240.1 Ų40.133%0.3324%0.241SC..Hα-helixtrans-61.9-47.4-176.600000112.8A85 L86 A91 L92 L93A85-G89 PolarHBondContact O-N 2.91Å; L86-G89 PolarHBondContact O-N 3.47Å; G89-A91 VanDerWaalsContact C-N 3.35Å; G89-A91 PolarHBondContact O-N 3.15Å; G89-L92 PolarHBondContact O-N 3.39Å; G89-L93 PolarHBondContact O-N 2.98Å
90S98.4Very high98.4Very high4 Ų439.2 Ų39.23%0.02824%0.238CC..Hα-helixtrans-63.9-40.6176.758.90000111.9L86 G87 L93 S97 A98L86-S90 WeakPolarHBondContact O-CB 3.46Å; L86-S90 PolarHBondContact O-N 3.2Å; L86-S90 PolarHBondContact O-OG 3.03Å; G87-S90 PolarHBondContact O-OG 3.02Å; G87-S90 VanDerWaalsContact O-OG 3.09Å; S90-L93 WeakPolarHBondContact O-CB 3.38Å; S90-L93 PolarHBondContact O-N 3.3Å; S90-S97 VanDerWaalsContact O-CB 3.27Å; S90-S97 WeakPolarHBondContact O-CB 3.28Å; S90-A98 PolarHBondContact O-N 2.89Å
91A98.6Very high98.5Very high2 Ų238 Ų382%0.01723%0.23CC..Hα-helixtrans-69.7-32.6179.200000113.9Q34 V37 L38 G87 V88 G89 L93 G94 A98Q34-A91 HydrophobicContact CB-CB 4.24Å; Q34-A91 HydrophobicContact CG-CB 4.25Å; V37-A91 HydrophobicContact CB-CB 3.69Å; V37-A91 HydrophobicContact CG1-CB 4.05Å; V37-A91 HydrophobicContact CG2-CB 4.07Å; L38-A91 HydrophobicContact CD1-CB 3.67Å; L38-A91 HydrophobicContact CG-CB 3.93Å; G87-A91 WeakPolarHBondContact O-CB 3.49Å; G87-A91 PolarHBondContact O-N 3.21Å; G87-A91 VanDerWaalsContact O-N 3.1Å; V88-A91 PolarHBondContact O-N 2.88Å; G89-A91 VanDerWaalsContact C-N 3.35Å; G89-A91 PolarHBondContact O-N 3.15Å; A91-L93 PolarHBondContact O-N 3.33Å; A91-G94 WeakPolarHBondContact O-CA 3.27Å; A91-G94 PolarHBondContact O-N 3.36Å; A91-A98 HydrophobicContact CB-CB 4.33Å
92L98.3Very high98.5Very high123 Ų12332.6 Ų32.664%0.64420%0.202SC*.Hα-helixtrans-64.5-26.7171.9-75172.9000112.7V37 V88 G89 G94V37-L92 HydrophobicContact CG1-CD2 3.98Å; V37-L92 HydrophobicContact CG1-CG 4.39Å; V37-L92 HydrophobicContact CG2-CD2 4.15Å; V37-L92 HydrophobicContact CG2-CG 4.14Å; V88-L92 HydrophobicContact CG1-CD1 3.83Å; V88-L92 HydrophobicContact CG1-CG 4.22Å; V88-L92 WeakPolarHBondContact O-CB 3.34Å; V88-L92 VanDerWaalsContact O-CG 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.4Å; V88-L92 PolarHBondContact O-N 2.9Å; G89-L92 PolarHBondContact O-N 3.39Å; L92-G94 PolarHBondContact O-N 2.88Å
93L97.5Very high98.5Very high119 Ų11930.2 Ų30.262%0.62318%0.182SC*.THydrogen-bonded Turntrans-81.13.8171.6-62.6174.4000113G89 S90 A91 S97G89-L93 PolarHBondContact O-N 2.98Å; S90-L93 WeakPolarHBondContact O-CB 3.38Å; S90-L93 PolarHBondContact O-N 3.3Å; A91-L93 PolarHBondContact O-N 3.33Å; L93-S97 WeakPolarHBondContact CB-OG 3.25Å; L93-S97 PolarHBondContact O-OG 3.47Å
94G97.8Very high98.5Very high28 Ų2830 Ų3029%0.28918%0.179SC..  trans100170175.500000114.5A91 L92 K96 S97 A98A91-G94 WeakPolarHBondContact O-CA 3.27Å; A91-G94 PolarHBondContact O-N 3.36Å; L92-G94 PolarHBondContact O-N 2.88Å; G94-K96 VanDerWaalsContact C-N 3.32Å; G94-K96 PolarHBondContact O-N 3.48Å; G94-S97 WeakPolarHBondContact O-CB 3.45Å; G94-S97 PolarHBondContact O-N 3.47Å; G94-S97 VanDerWaalsContact O-N 3.11Å; G94-A98 PolarHBondContact O-N 3.33Å
95S98.2Very high98.5Very high38 Ų3827.4 Ų27.427%0.26617%0.168SC..Hα-helixtrans-57.4-40.8-173.7-51.90000113.8S97 A98 M99S95-S97 VanDerWaalsContact C-N 3.32Å; S95-S97 PolarHBondContact O-N 2.93Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 3.19Å; S95-M99 WeakPolarHBondContact O-CG 3.33Å; S95-M99 PolarHBondContact O-N 3.29Å
96K98.4Very high98.5Very high76 Ų7624.8 Ų24.833%0.3315%0.147SC..Hα-helixtrans-62.6-41.8178.6-61.3-177.1173.4-171.30111.4G94 M99 A100 D153 Q156 A157G94-K96 VanDerWaalsContact C-N 3.32Å; G94-K96 PolarHBondContact O-N 3.48Å; K96-M99 PolarHBondContact O-N 2.99Å; K96-A100 WeakPolarHBondContact O-CB 3.12Å; K96-A100 PolarHBondContact O-N 2.8Å; K96-D153 HydrophobicContact CD-CB 4.1Å; K96-D153 HydrophobicContact CG-CB 3.96Å; K96-Q156 HydrophobicContact CD-CB 3.8Å; K96-A157 HydrophobicContact CB-CB 4.13Å
97S98.5Very high98.4Very high1 Ų123.2 Ų23.21%0.00714%0.14CC..Hα-helixtrans-67.9-38.1178.1-54.50000112.1S90 L93 G94 S95 A100 C101 M163S90-S97 VanDerWaalsContact O-CB 3.27Å; S90-S97 WeakPolarHBondContact O-CB 3.28Å; L93-S97 WeakPolarHBondContact CB-OG 3.25Å; L93-S97 PolarHBondContact O-OG 3.47Å; G94-S97 WeakPolarHBondContact O-CB 3.45Å; G94-S97 PolarHBondContact O-N 3.47Å; G94-S97 VanDerWaalsContact O-N 3.11Å; S95-S97 VanDerWaalsContact C-N 3.32Å; S95-S97 PolarHBondContact O-N 2.93Å; S97-A100 PolarHBondContact O-N 3.07Å; S97-C101 PolarHBondContact O-N 2.95Å; S97-M163 WeakPolarHBondContact O-CE 3.3Å
98A98.6Very high98.4Very high0 Ų023.3 Ų23.30%014%0.141CC..Hα-helixtrans-60.5-46.4170.500000111.8Q34 L38 S90 A91 G94 S95 A100 C101 T102Q34-A98 HydrophobicContact CG-CB 4.22Å; Q34-A98 PolarHBondContact NE2-O 3.04Å; L38-A98 HydrophobicContact CD1-CB 3.64Å; S90-A98 PolarHBondContact O-N 2.89Å; A91-A98 HydrophobicContact CB-CB 4.33Å; G94-A98 PolarHBondContact O-N 3.33Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 3.19Å; A98-A100 PolarHBondContact O-N 2.89Å; A98-C101 VanDerWaalsContact O-CB 3.3Å; A98-C101 WeakPolarHBondContact O-CB 3.46Å; A98-C101 PolarHBondContact O-N 2.79Å; A98-T102 PolarHBondContact O-N 3.17Å; A98-T102 PolarHBondContact O-OG1 2.93Å
99M98.6Very high98.4Very high0 Ų022.8 Ų22.80%014%0.137CC..Hα-helixtrans-67.3-35.9178.2-66-58.995.600112.5I43 I47 M50 S95 K96 C101 T102 V103 H152 A154I43-M99 HydrophobicContact CD1-CE 4.01Å; I43-M99 HydrophobicContact CD1-CG 3.41Å; I43-M99 VanDerWaalsContact CD1-CG 3.41Å; I43-M99 HydrophobicContact CD1-SD 3.48Å; I43-M99 WeakPolarHBondContact CD1-SD 3.31Å; I43-M99 HydrophobicContact CG1-SD 4.37Å; I47-M99 HydrophobicContact CD1-CE 4.22Å; I47-M99 HydrophobicContact CG1-CE 3.83Å; M50-M99 HydrophobicContact CE-CE 4.02Å; M50-M99 HydrophobicContact CE-SD 4.25Å; S95-M99 WeakPolarHBondContact O-CG 3.33Å; S95-M99 PolarHBondContact O-N 3.29Å; K96-M99 PolarHBondContact O-N 2.99Å; M99-C101 VanDerWaalsContact C-N 3.31Å; M99-C101 PolarHBondContact O-N 2.8Å; M99-T102 WeakPolarHBondContact O-CB 3.49Å; M99-T102 PolarHBondContact O-N 3.09Å; M99-V103 WeakPolarHBondContact O-CG2 3.49Å; M99-V103 PolarHBondContact O-N 2.87Å; M99-H152 HydrophobicContact CG-CB 3.78Å; M99-H152 HydrophobicContact SD-CB 4.16Å; M99-A154 HydrophobicContact CB-CB 3.91Å
100A98.6Very high98.3Very high0 Ų021.7 Ų21.70%012%0.124CC..Hα-helixtrans-65.8-33.7172.700000113K96 S97 A98 A104 A154 A157 Y160 M163K96-A100 WeakPolarHBondContact O-CB 3.12Å; K96-A100 PolarHBondContact O-N 2.8Å; S97-A100 PolarHBondContact O-N 3.07Å; A98-A100 PolarHBondContact O-N 2.89Å; A100-A104 VanDerWaalsContact O-CB 3.28Å; A100-A104 WeakPolarHBondContact O-CB 3.17Å; A100-A104 PolarHBondContact O-N 3.3Å; A100-A154 HydrophobicContact CB-CB 4.21Å; A100-A157 HydrophobicContact CB-CB 3.7Å; A100-Y160 HydrophobicContact CB-CD2 3.5Å; A100-Y160 VanDerWaalsContact CB-CD2 3.5Å; A100-Y160 HydrophobicContact CB-CE2 3.7Å; A100-M163 HydrophobicContact CB-CE 3.2Å
101C98.7Very high98.3Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-62.2-49.1168.2177.40000111.1S97 A98 M99 A104 V105 I167S97-C101 PolarHBondContact O-N 2.95Å; A98-C101 VanDerWaalsContact O-CB 3.3Å; A98-C101 WeakPolarHBondContact O-CB 3.46Å; A98-C101 PolarHBondContact O-N 2.79Å; M99-C101 VanDerWaalsContact C-N 3.31Å; M99-C101 PolarHBondContact O-N 2.8Å; C101-A104 PolarHBondContact O-N 3.37Å; C101-V105 WeakPolarHBondContact O-CG2 3.32Å; C101-V105 PolarHBondContact O-N 3.07Å; C101-I167 HydrophobicContact CB-CD1 3.92Å
102T98.7Very high98.3Very high1 Ų127.2 Ų27.21%0.00615%0.149CC..Hα-helixtrans-53.3-58.2174.7-67.60000110.9Y31 Q34 M50 A98 M99 A104 V105 E106Y31-T102 HydrophobicContact CE1-CG2 4.24Å; Y31-T102 WeakPolarHBondContact CE1-OG1 3.16Å; Y31-T102 VanDerWaalsContact OH-CG2 3.24Å; Y31-T102 WeakPolarHBondContact OH-CG2 3.02Å; Q34-T102 PolarHBondContact NE2-OG1 2.96Å; M50-T102 HydrophobicContact SD-CG2 4.15Å; A98-T102 PolarHBondContact O-N 3.17Å; A98-T102 PolarHBondContact O-OG1 2.93Å; M99-T102 WeakPolarHBondContact O-CB 3.49Å; M99-T102 PolarHBondContact O-N 3.09Å; T102-A104 PolarHBondContact O-N 3.41Å; T102-A104 VanDerWaalsContact O-N 3.13Å; T102-V105 PolarHBondContact O-N 3.12Å; T102-V105 VanDerWaalsContact O-N 3.09Å; T102-E106 HydrophobicContact CG2-CG 3.96Å; T102-E106 WeakPolarHBondContact O-CG 3.47Å; T102-E106 PolarHBondContact O-N 3.33Å
103V98.7Very high98.3Very high1 Ų121.4 Ų21.41%0.00612%0.118CC..Hα-helixtrans-51.9-43.2178.11720000112.3M99 S107 H146 L150 A154 Y160M99-V103 WeakPolarHBondContact O-CG2 3.49Å; M99-V103 PolarHBondContact O-N 2.87Å; V103-S107 VanDerWaalsContact O-CB 3.25Å; V103-S107 WeakPolarHBondContact O-CB 3.42Å; V103-S107 PolarHBondContact O-N 3.04Å; V103-S107 VanDerWaalsContact O-N 3.09Å; V103-S107 PolarHBondContact O-OG 2.86Å; V103-H146 WeakPolarHBondContact CG2-O 3.44Å; V103-H146 PolarHBondContact O-CD2 3Å; V103-L150 HydrophobicContact CG1-CD2 4.03Å; V103-L150 HydrophobicContact CG1-CG 4.49Å; V103-L150 HydrophobicContact CG2-CD2 3.99Å; V103-L150 HydrophobicContact CG2-CG 4.03Å; V103-A154 HydrophobicContact CB-CB 4.41Å; V103-A154 HydrophobicContact CG2-CB 3.62Å; V103-Y160 VanDerWaalsContact CG1-OH 3.26Å; V103-Y160 WeakPolarHBondContact CG1-OH 3.28Å
104A98.6Very high98.4Very high0 Ų017.9 Ų17.90%010%0.1CC..Hα-helixtrans-66-46.4-179.400000112.5A100 C101 T102 S107 I167 K168A100-A104 VanDerWaalsContact O-CB 3.28Å; A100-A104 WeakPolarHBondContact O-CB 3.17Å; A100-A104 PolarHBondContact O-N 3.3Å; C101-A104 PolarHBondContact O-N 3.37Å; T102-A104 PolarHBondContact O-N 3.41Å; T102-A104 VanDerWaalsContact O-N 3.13Å; A104-S107 PolarHBondContact O-OG 3.36Å; A104-I167 HydrophobicContact CB-CB 3.84Å; A104-I167 HydrophobicContact CB-CD1 4.36Å; A104-I167 HydrophobicContact CB-CG2 3.65Å; A104-K168 HydrophobicContact CB-CG 4.23Å; A104-K168 WeakPolarHBondContact O-CG 3.17Å
105V98.6Very high98.4Very high4 Ų419.7 Ų19.72%0.02410%0.103CC..Hα-helixtrans-65.8-53.3179.4173.40000110.5I30 L86 C101 T102 S107 V108 I109 I167I30-V105 HydrophobicContact CD1-CG1 4.26Å; I30-V105 HydrophobicContact CD1-CG2 3.9Å; L86-V105 HydrophobicContact CD2-CG2 4.44Å; C101-V105 WeakPolarHBondContact O-CG2 3.32Å; C101-V105 PolarHBondContact O-N 3.07Å; T102-V105 PolarHBondContact O-N 3.12Å; T102-V105 VanDerWaalsContact O-N 3.09Å; V105-S107 VanDerWaalsContact C-N 3.28Å; V105-S107 PolarHBondContact O-N 3.17Å; V105-V108 WeakPolarHBondContact O-CB 3.49Å; V105-V108 PolarHBondContact O-N 2.83Å; V105-I109 HydrophobicContact CG1-CD1 3.63Å; V105-I109 HydrophobicContact CG1-CG1 4.18Å; V105-I109 PolarHBondContact O-N 2.95Å; V105-I167 HydrophobicContact CG2-CG2 3.51Å
106E98.2Very high98.4Very high2 Ų218 Ų181%0.0099%0.091CC..Hα-helixtrans-65.5-33.4-174.5-53.2-45.6168.700112.2Y31 T102 V108 I109 S110 E142 H145 H146Y31-E106 PolarHBondContact OH-OE1 3.46Å; T102-E106 HydrophobicContact CG2-CG 3.96Å; T102-E106 WeakPolarHBondContact O-CG 3.47Å; T102-E106 PolarHBondContact O-N 3.33Å; E106-V108 PolarHBondContact O-N 3.4Å; E106-I109 PolarHBondContact O-N 3.5Å; E106-S110 WeakPolarHBondContact O-CB 3.36Å; E106-S110 PolarHBondContact O-N 3.14Å; E106-S110 PolarHBondContact O-OG 2.95Å; E106-E142 VanDerWaalsContact OE2-OE2 3.12Å; E106-H145 HydrophobicContact CG-CB 3.73Å; E106-H146 HydrophobicContact CB-CB 3.92Å
107S98.2Very high98.4Very high24 Ų2415.3 Ų15.317%0.1688%0.08CC..Hα-helixtrans-59.1-32.3173.171.40000113.3V103 A104 V105 E111 K168V103-S107 VanDerWaalsContact O-CB 3.25Å; V103-S107 WeakPolarHBondContact O-CB 3.42Å; V103-S107 PolarHBondContact O-N 3.04Å; V103-S107 VanDerWaalsContact O-N 3.09Å; V103-S107 PolarHBondContact O-OG 2.86Å; A104-S107 PolarHBondContact O-OG 3.36Å; V105-S107 VanDerWaalsContact C-N 3.28Å; V105-S107 PolarHBondContact O-N 3.17Å; S107-E111 VanDerWaalsContact O-CB 3.3Å; S107-E111 WeakPolarHBondContact O-CB 3.35Å; S107-E111 PolarHBondContact O-N 3.01Å; S107-K168 WeakPolarHBondContact OG-CE 3.41Å; S107-K168 PolarHBondContact OG-NZ 3.37Å
108V98.5Very high98.4Very high3 Ų322.4 Ų22.42%0.01811%0.107CC..Hα-helixtrans-81.4-39.1177.4179.40000110.9V105 E106 E111 H112 K168 C171 R172 I175V105-V108 WeakPolarHBondContact O-CB 3.49Å; V105-V108 PolarHBondContact O-N 2.83Å; E106-V108 PolarHBondContact O-N 3.4Å; V108-E111 PolarHBondContact O-N 3.04Å; V108-H112 WeakPolarHBondContact O-CB 3.49Å; V108-H112 PolarHBondContact O-N 2.85Å; V108-K168 HydrophobicContact CG2-CB 3.84Å; V108-K168 HydrophobicContact CG2-CD 4.46Å; V108-K168 HydrophobicContact CG2-CG 3.7Å; V108-C171 HydrophobicContact CB-CB 4.03Å; V108-C171 HydrophobicContact CG1-CB 3.77Å; V108-C171 HydrophobicContact CG2-CB 4.23Å; V108-R172 HydrophobicContact CG1-CG 3.96Å; V108-I175 HydrophobicContact CG1-CD1 3.67Å
109I97.9Very high98.3Very high21 Ų2125.5 Ų25.511%0.10812%0.121CC..Hα-helixtrans-66.5-48.1178.5-60.8-176.3000110.3A27 V105 E106 E111 H112 Y113 E142A27-I109 HydrophobicContact CB-CD1 4.2Å; V105-I109 HydrophobicContact CG1-CD1 3.63Å; V105-I109 HydrophobicContact CG1-CG1 4.18Å; V105-I109 PolarHBondContact O-N 2.95Å; E106-I109 PolarHBondContact O-N 3.5Å; I109-E111 VanDerWaalsContact C-N 3.31Å; I109-E111 PolarHBondContact O-N 3.35Å; I109-H112 CarbonylContact O-C 3.6Å; I109-H112 WeakPolarHBondContact O-CA 3.44Å; I109-H112 WeakPolarHBondContact O-CB 3.29Å; I109-H112 PolarHBondContact O-N 3.32Å; I109-Y113 HydrophobicContact CG2-CD2 3.72Å; I109-Y113 HydrophobicContact CG2-CE2 3.53Å; I109-Y113 PolarHBondContact O-N 3.46Å; I109-E142 HydrophobicContact CB-CG 4.45Å; I109-E142 HydrophobicContact CG2-CG 3.78Å
110S97.6Very high98.2Very high8 Ų825.5 Ų25.56%0.05612%0.121CC..Hα-helixtrans-61-38.1175.6-51.50000112.6E106 H112 N114 E142E106-S110 WeakPolarHBondContact O-CB 3.36Å; E106-S110 PolarHBondContact O-N 3.14Å; E106-S110 PolarHBondContact O-OG 2.95Å; S110-H112 VanDerWaalsContact C-N 3.34Å; S110-N114 WeakPolarHBondContact O-CB 3.5Å; S110-N114 PolarHBondContact O-N 3.19Å; S110-N114 VanDerWaalsContact O-N 3.08Å; S110-N114 PolarHBondContact O-ND2 3.22Å; S110-E142 VanDerWaalsContact OG-CB 3.29Å; S110-E142 WeakPolarHBondContact OG-CB 3.39Å
111E98.1Very high98.1Very high94 Ų9429 Ų2944%0.43914%0.142SC..Hα-helixtrans-63.3-41.5172.6-177.9177-163.500110.9S107 V108 I109 N114 N115 R172S107-E111 VanDerWaalsContact O-CB 3.3Å; S107-E111 WeakPolarHBondContact O-CB 3.35Å; S107-E111 PolarHBondContact O-N 3.01Å; V108-E111 PolarHBondContact O-N 3.04Å; I109-E111 VanDerWaalsContact C-N 3.31Å; I109-E111 PolarHBondContact O-N 3.35Å; E111-N114 PolarHBondContact O-N 3.21Å; E111-N115 PolarHBondContact O-N 2.79Å; E111-N115 VanDerWaalsContact O-N 3.15Å; E111-N115 PolarHBondContact O-ND2 3.09Å; E111-N115 VanDerWaalsContact O-ND2 3.15Å; E111-R172 IonicContact OE2-NH2 3.33Å; E111-R172 PolarHBondContact OE2-NH2 3.48Å
112H97.9Very high98Very high28 Ų2836.8 Ų36.813%0.1318%0.179CC..Hα-helixtrans-63.4-50.8177.9-166.761000111.8V19 D20 V108 I109 S110 N114 N115 Q116 I175V19-H112 VanDerWaalsContact CG1-NE2 3.25Å; V19-H112 WeakPolarHBondContact CG1-NE2 3.19Å; D20-H112 IonicContact OD1-CD2 3.83Å; D20-H112 IonicContact OD1-NE2 3.73Å; V108-H112 WeakPolarHBondContact O-CB 3.49Å; V108-H112 PolarHBondContact O-N 2.85Å; I109-H112 CarbonylContact O-C 3.6Å; I109-H112 WeakPolarHBondContact O-CA 3.44Å; I109-H112 WeakPolarHBondContact O-CB 3.29Å; I109-H112 PolarHBondContact O-N 3.32Å; S110-H112 VanDerWaalsContact C-N 3.34Å; H112-N114 VanDerWaalsContact C-N 3.3Å; H112-N114 PolarHBondContact O-N 3.4Å; H112-N115 WeakPolarHBondContact O-CB 3.34Å; H112-N115 PolarHBondContact O-N 2.96Å; H112-Q116 PolarHBondContact CD2-NE2 3.15Å; H112-Q116 PolarHBondContact NE2-NE2 2.9Å; H112-Q116 WeakPolarHBondContact O-CG 3.36Å; H112-Q116 PolarHBondContact O-N 3.35Å; H112-I175 HydrophobicContact CB-CD1 4.14Å
113Y98.6Very high97.8Very high1 Ų139.2 Ų39.20%0.00420%0.196CC..Hα-helixtrans-55.5-44.7175.7-85.2-55.3000112.2E24 F61 I109 N115 Q116 I117 L135 F138 R139 E142E24-Y113 PolarHBondContact OE1-OH 3.37Å; F61-Y113 VanDerWaalsContact CE2-OH 3.24Å; F61-Y113 WeakPolarHBondContact CE2-OH 3.37Å; F61-Y113 HydrophobicContact CZ-CE1 4.14Å; F61-Y113 WeakPolarHBondContact CZ-OH 3.28Å; I109-Y113 HydrophobicContact CG2-CD2 3.72Å; I109-Y113 HydrophobicContact CG2-CE2 3.53Å; I109-Y113 PolarHBondContact O-N 3.46Å; Y113-N115 VanDerWaalsContact C-N 3.27Å; Y113-N115 PolarHBondContact O-N 3.24Å; Y113-Q116 PolarHBondContact O-N 3.19Å; Y113-I117 WeakPolarHBondContact O-CB 3.22Å; Y113-I117 WeakPolarHBondContact O-CD1 3.21Å; Y113-I117 WeakPolarHBondContact O-CG1 3.39Å; Y113-I117 PolarHBondContact O-N 3.43Å; Y113-L135 HydrophobicContact CD1-CB 4.1Å; Y113-L135 HydrophobicContact CD1-CD2 3.8Å; Y113-L135 HydrophobicContact CD1-CG 4.5Å; Y113-L135 HydrophobicContact CE1-CB 4.45Å; Y113-L135 HydrophobicContact CE1-CD2 3.55Å; Y113-F138 HydrophobicContact CE1-CB 4.28Å; Y113-F138 HydrophobicContact CE2-CB 3.97Å; Y113-R139 HydrophobicContact CD2-CB 4.4Å; Y113-R139 HydrophobicContact CG-CB 4.19Å; Y113-E142 HydrophobicContact CD2-CG 4.18Å; Y113-E142 HydrophobicContact CE2-CG 3.97Å
114N98.3Very high97.4Very high46 Ų4640.1 Ų40.125%0.24620%0.2CC..Hα-helixtrans-57.5-40.9176.8-86.9-51.4000112.7S110 E111 H112 R118 R139S110-N114 WeakPolarHBondContact O-CB 3.5Å; S110-N114 PolarHBondContact O-N 3.19Å; S110-N114 VanDerWaalsContact O-N 3.08Å; S110-N114 PolarHBondContact O-ND2 3.22Å; E111-N114 PolarHBondContact O-N 3.21Å; H112-N114 VanDerWaalsContact C-N 3.3Å; H112-N114 PolarHBondContact O-N 3.4Å; N114-R118 VanDerWaalsContact O-CG 3.32Å; N114-R118 WeakPolarHBondContact O-CG 3.16Å; N114-R118 PolarHBondContact O-N 2.94Å; N114-R139 VanDerWaalsContact CG-CD 3.47Å; N114-R139 WeakPolarHBondContact OD1-CD 3.24Å; N114-R139 PolarHBondContact OD1-NH1 3.29Å
115N98.3Very high97.1Very high65 Ų6542.5 Ų42.535%0.34822%0.216SC..Hα-helixtrans-68.4-43.9178-68.9-33.7000111.6E111 H112 Y113 I117 R118 E119E111-N115 PolarHBondContact O-N 2.79Å; E111-N115 VanDerWaalsContact O-N 3.15Å; E111-N115 PolarHBondContact O-ND2 3.09Å; E111-N115 VanDerWaalsContact O-ND2 3.15Å; H112-N115 WeakPolarHBondContact O-CB 3.34Å; H112-N115 PolarHBondContact O-N 2.96Å; Y113-N115 VanDerWaalsContact C-N 3.27Å; Y113-N115 PolarHBondContact O-N 3.24Å; N115-I117 PolarHBondContact O-N 3.01Å; N115-R118 WeakPolarHBondContact O-CB 3.27Å; N115-R118 PolarHBondContact O-N 3.44Å; N115-E119 WeakPolarHBondContact O-CG 3.32Å; N115-E119 PolarHBondContact O-N 2.95Å
116Q98.2Very high96.8Very high4 Ų448.9 Ų48.92%0.01925%0.245CC..Hα-helixtrans-64-41.1177.6-64.3175.8-2700112.7I16 D20 H112 Y113 R118 E119 L120 L135I16-Q116 HydrophobicContact CD1-CB 4.07Å; I16-Q116 HydrophobicContact CD1-CG 4.47Å; I16-Q116 HydrophobicContact CG1-CB 4.08Å; I16-Q116 HydrophobicContact CG1-CG 3.93Å; D20-Q116 VanDerWaalsContact CG-NE2 3.31Å; D20-Q116 PolarHBondContact OD1-NE2 2.56Å; D20-Q116 PolarHBondContact OD1-OE1 3.1Å; D20-Q116 PolarHBondContact OD2-NE2 3.15Å; D20-Q116 PolarHBondContact OD2-OE1 2.85Å; D20-Q116 VanDerWaalsContact OD2-OE1 3.07Å; H112-Q116 PolarHBondContact CD2-NE2 3.15Å; H112-Q116 PolarHBondContact NE2-NE2 2.9Å; H112-Q116 WeakPolarHBondContact O-CG 3.36Å; H112-Q116 PolarHBondContact O-N 3.35Å; Y113-Q116 PolarHBondContact O-N 3.19Å; Q116-R118 VanDerWaalsContact C-N 3.31Å; Q116-R118 PolarHBondContact O-N 2.69Å; Q116-E119 PolarHBondContact O-N 3.35Å; Q116-L120 WeakPolarHBondContact O-CB 3.43Å; Q116-L120 PolarHBondContact O-N 2.58Å; Q116-L135 HydrophobicContact CB-CD1 4.26Å
117I98.5Very high96.6Very high18 Ų1851.2 Ų51.29%0.09226%0.26CS..Hα-helixtrans-56.6-48174.3-74164.7000109.8Y113 N115 L120 V121 L132 L135 R139Y113-I117 WeakPolarHBondContact O-CB 3.22Å; Y113-I117 WeakPolarHBondContact O-CD1 3.21Å; Y113-I117 WeakPolarHBondContact O-CG1 3.39Å; Y113-I117 PolarHBondContact O-N 3.43Å; N115-I117 PolarHBondContact O-N 3.01Å; I117-L120 PolarHBondContact O-N 3.05Å; I117-V121 WeakPolarHBondContact O-CB 3.1Å; I117-V121 VanDerWaalsContact O-CG2 3.24Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 3.08Å; I117-L132 HydrophobicContact CB-CD1 4.32Å; I117-L132 HydrophobicContact CG1-CD1 4.33Å; I117-L132 HydrophobicContact CG2-CD1 3.88Å; I117-L135 HydrophobicContact CD1-CB 4.25Å; I117-L135 HydrophobicContact CG1-CB 3.8Å; I117-L135 HydrophobicContact CG1-CD1 4.5Å; I117-R139 HydrophobicContact CD1-CB 4.24Å
118R98.3Very high96.4Very high151 Ų15151.2 Ų51.257%0.5726%0.256SS*.Hα-helixtrans-60.5-49.7176.7-71.1171.7-174.5169.22.5111.6N114 N115 Q116 L120 V121 E122N114-R118 VanDerWaalsContact O-CG 3.32Å; N114-R118 WeakPolarHBondContact O-CG 3.16Å; N114-R118 PolarHBondContact O-N 2.94Å; N115-R118 WeakPolarHBondContact O-CB 3.27Å; N115-R118 PolarHBondContact O-N 3.44Å; Q116-R118 VanDerWaalsContact C-N 3.31Å; Q116-R118 PolarHBondContact O-N 2.69Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 3.33Å; R118-V121 PolarHBondContact O-N 3.42Å; R118-E122 WeakPolarHBondContact O-CB 3.44Å; R118-E122 WeakPolarHBondContact O-CG 3.35Å; R118-E122 PolarHBondContact O-N 3.25Å
119E97.6Very high96.3Very high64 Ų6456.6 Ų56.630%0.29928%0.281SS..Hα-helixtrans-58.4-40.1179.2-71.9-177.9156.800112.1L12 R15 N115 Q116 S123L12-E119 HydrophobicContact CD1-CB 4.01Å; L12-E119 WeakPolarHBondContact CD1-OE2 3.39Å; L12-E119 HydrophobicContact CD2-CB 4.11Å; R15-E119 IonicContact CZ-OE1 3.75Å; R15-E119 IonicContact CZ-OE2 2.72Å; R15-E119 IonicContact NH2-OE1 2.64Å; R15-E119 PolarHBondContact NH2-OE1 3.41Å; R15-E119 IonicContact NH2-OE2 3.87Å; R15-E119 PolarHBondContact NH2-OE2 2.86Å; N115-E119 WeakPolarHBondContact O-CG 3.32Å; N115-E119 PolarHBondContact O-N 2.95Å; Q116-E119 PolarHBondContact O-N 3.35Å; E119-S123 WeakPolarHBondContact O-CB 3.49Å; E119-S123 PolarHBondContact O-N 3.46Å; E119-S123 PolarHBondContact O-OG 3.4Å
120L96.2Very high96.2Very high0 Ų062.8 Ų62.80%031%0.31CS..Hα-helixtrans-71.8-41-179.9-167.362.1000111.9V13 Q116 I117 R118 E122 S123 D124 Y128 L131 L132 L135V13-L120 HydrophobicContact CG2-CD1 4.11Å; Q116-L120 WeakPolarHBondContact O-CB 3.43Å; Q116-L120 PolarHBondContact O-N 2.58Å; I117-L120 PolarHBondContact O-N 3.05Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 3.33Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-S123 PolarHBondContact O-N 3.01Å; L120-D124 PolarHBondContact O-N 3.02Å; L120-Y128 HydrophobicContact CD1-CD2 4.27Å; L120-Y128 HydrophobicContact CD1-CG 4.16Å; L120-L131 HydrophobicContact CD2-CB 4.33Å; L120-L131 HydrophobicContact CD2-CD2 4.04Å; L120-L131 HydrophobicContact CD2-CG 4.05Å; L120-L132 HydrophobicContact CD2-CB 4Å; L120-L132 HydrophobicContact CD2-CD1 4.33Å; L120-L135 HydrophobicContact CD2-CD1 4.26Å
121V97.2Very high96.2Very high73 Ų7362.7 Ų62.744%0.44231%0.309SS..Hα-helixtrans-61.9-40.9174.8167.80000111.8I117 R118 S123 P125 L132I117-V121 WeakPolarHBondContact O-CB 3.1Å; I117-V121 VanDerWaalsContact O-CG2 3.24Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 3.08Å; R118-V121 PolarHBondContact O-N 3.42Å; V121-S123 PolarHBondContact O-N 3.06Å; V121-P125 WeakPolarHBondContact O-CD 3.2Å; V121-L132 HydrophobicContact CG2-CD1 3.78Å; V121-L132 HydrophobicContact CG2-CD2 3.82Å; V121-L132 HydrophobicContact CG2-CG 4.47Å
122E96.4Very high96.2Very high164 Ų16459.7 Ų59.777%0.76630%0.296SS*.Hα-helixtrans-73.5-16.7177.8-70.9175.8-176.300113.1R118 L120R118-E122 WeakPolarHBondContact O-CB 3.44Å; R118-E122 WeakPolarHBondContact O-CG 3.35Å; R118-E122 PolarHBondContact O-N 3.25Å; L120-E122 VanDerWaalsContact C-N 3.34Å
123S93.9Very high96.2Very high52 Ų5263.9 Ų63.936%0.36432%0.315SS..Hα-helixtrans-100.8-65.1-172.3-65.70000113.7L12 E119 L120 V121L12-S123 WeakPolarHBondContact CD2-OG 3.36Å; E119-S123 WeakPolarHBondContact O-CB 3.49Å; E119-S123 PolarHBondContact O-N 3.46Å; E119-S123 PolarHBondContact O-OG 3.4Å; L120-S123 PolarHBondContact O-N 3.01Å; V121-S123 PolarHBondContact O-N 3.06Å
124D90.8Very high96.2Very high20 Ų2064.7 Ų64.711%0.10732%0.32CS..  trans-160.869.2-175.9-165.3-14.9000111R3 V9 L120 E126 T127 Y128R3-D124 IonicContact NH1-OD1 3.54Å; V9-D124 HydrophobicContact CG1-CB 3.93Å; V9-D124 HydrophobicContact CG2-CB 4.14Å; L120-D124 PolarHBondContact O-N 3.02Å; D124-E126 VanDerWaalsContact C-N 3.29Å; D124-E126 PolarHBondContact O-N 2.84Å; D124-T127 PolarHBondContact O-N 3.44Å; D124-T127 VanDerWaalsContact OD1-CB 3.3Å; D124-T127 WeakPolarHBondContact OD1-CB 3.32Å; D124-T127 PolarHBondContact OD1-N 3.05Å; D124-T127 PolarHBondContact OD1-OG1 3.48Å; D124-T127 PolarHBondContact OD2-OG1 2.88Å; D124-Y128 HydrophobicContact CB-CD2 4.45Å; D124-Y128 PolarHBondContact O-N 3.11Å
125P90.8Very high96.2Very high50 Ų5062.5 Ų62.533%0.32531%0.309SS..THydrogen-bonded Turntrans-64.6-32.4-173.122.1-31.3000113.1V121 Q129 L132V121-P125 WeakPolarHBondContact O-CD 3.2Å; P125-Q129 WeakPolarHBondContact O-CA 3.44Å; P125-Q129 PolarHBondContact O-N 3.26Å; P125-Q129 VanDerWaalsContact O-N 3.12Å; P125-L132 HydrophobicContact CB-CD2 4.43Å
126E93.2Very high96.2Very high138 Ų13861.4 Ų61.465%0.64531%0.305SS*.THydrogen-bonded Turntrans-70.2-42-176.9-66.5178.1172.600111.6R3 D124 Y128R3-E126 IonicContact CZ-OE2 3.58Å; R3-E126 IonicContact NH1-OE2 2.66Å; R3-E126 PolarHBondContact NH1-OE2 3.25Å; R3-E126 IonicContact NH2-OE2 3.02Å; D124-E126 VanDerWaalsContact C-N 3.29Å; D124-E126 PolarHBondContact O-N 2.84Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.21Å
127T93.5Very high96.2Very high52 Ų5265.6 Ų65.632%0.31932%0.323SS..THydrogen-bonded Turntrans-72.8-28.3-177.9-53.20000112.4V5 D124V5-T127 HydrophobicContact CG2-CG2 3.72Å; D124-T127 PolarHBondContact O-N 3.44Å; D124-T127 VanDerWaalsContact OD1-CB 3.3Å; D124-T127 WeakPolarHBondContact OD1-CB 3.32Å; D124-T127 PolarHBondContact OD1-N 3.05Å; D124-T127 PolarHBondContact OD1-OG1 3.48Å; D124-T127 PolarHBondContact OD2-OG1 2.88Å
128Y93.8Very high96.2Very high23 Ų2365.1 Ų65.19%0.0932%0.32CS..THydrogen-bonded Turntrans-115.731.1-176.3-67.7-79.5000112.8V5 V9 V13 H68 L120 D124 E126 E130 L131 L132V5-Y128 HydrophobicContact CG1-CE2 3.88Å; V5-Y128 WeakPolarHBondContact CG1-OH 3.5Å; V5-Y128 HydrophobicContact CG2-CE2 4.14Å; V9-Y128 HydrophobicContact CG1-CD2 3.93Å; V9-Y128 HydrophobicContact CG1-CE2 3.39Å; V13-Y128 HydrophobicContact CB-CE1 4.24Å; V13-Y128 HydrophobicContact CG1-CD1 4.36Å; V13-Y128 HydrophobicContact CG1-CE1 3.9Å; V13-Y128 HydrophobicContact CG2-CD1 3.85Å; V13-Y128 HydrophobicContact CG2-CD2 4.19Å; V13-Y128 HydrophobicContact CG2-CE1 3.66Å; V13-Y128 HydrophobicContact CG2-CE2 4.03Å; V13-Y128 HydrophobicContact CG2-CG 4.09Å; H68-Y128 AromaticContact CE1-CE1 3.85Å; L120-Y128 HydrophobicContact CD1-CD2 4.27Å; L120-Y128 HydrophobicContact CD1-CG 4.16Å; D124-Y128 HydrophobicContact CB-CD2 4.45Å; D124-Y128 PolarHBondContact O-N 3.11Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.21Å; Y128-E130 VanDerWaalsContact C-N 3.3Å; Y128-E130 PolarHBondContact O-N 2.72Å; Y128-L131 HydrophobicContact CD1-CD2 4.35Å; Y128-L131 PolarHBondContact O-N 3.07Å; Y128-L131 VanDerWaalsContact O-N 3.13Å; Y128-L132 PolarHBondContact O-N 2.83Å
129Q96.2Very high96.2Very high116 Ų11660.2 Ų60.254%0.54230%0.301SS..Hα-helixtrans-55.8-42.4-178.1-174.7179.88.900112.8P125 L132 Q133P125-Q129 WeakPolarHBondContact O-CA 3.44Å; P125-Q129 PolarHBondContact O-N 3.26Å; P125-Q129 VanDerWaalsContact O-N 3.12Å; Q129-L132 PolarHBondContact O-N 3.09Å; Q129-Q133 WeakPolarHBondContact O-CG 3.45Å; Q129-Q133 PolarHBondContact O-N 3.33Å
130E96Very high96.3Very high152 Ų15260.3 Ų60.371%0.7130%0.304SS*.Hα-helixtrans-65.6-39.3178.6-66.3-178.6-176.700112.4Y128 Q133 T134Y128-E130 VanDerWaalsContact C-N 3.3Å; Y128-E130 PolarHBondContact O-N 2.72Å; E130-Q133 PolarHBondContact O-N 3.14Å; E130-T134 WeakPolarHBondContact O-CB 3Å; E130-T134 PolarHBondContact O-N 3Å; E130-T134 PolarHBondContact O-OG1 3.14Å
131L97.5Very high96.4Very high6 Ų661.6 Ų61.63%0.03131%0.31CS..Hα-helixtrans-65.6-46.9174.6178.661.3000109.7V13 I17 L64 L120 Y128 Q133 T134 L135V13-L131 HydrophobicContact CG1-CD2 3.98Å; V13-L131 HydrophobicContact CG2-CD2 4.18Å; I17-L131 HydrophobicContact CG1-CD1 4.48Å; L64-L131 HydrophobicContact CD1-CD1 3.98Å; L120-L131 HydrophobicContact CD2-CB 4.33Å; L120-L131 HydrophobicContact CD2-CD2 4.04Å; L120-L131 HydrophobicContact CD2-CG 4.05Å; Y128-L131 HydrophobicContact CD1-CD2 4.35Å; Y128-L131 PolarHBondContact O-N 3.07Å; Y128-L131 VanDerWaalsContact O-N 3.13Å; L131-Q133 VanDerWaalsContact C-N 3.28Å; L131-Q133 PolarHBondContact O-N 2.55Å; L131-T134 WeakPolarHBondContact O-CA 3.32Å; L131-T134 WeakPolarHBondContact O-CB 3.49Å; L131-T134 PolarHBondContact O-N 3.02Å; L131-L135 HydrophobicContact CD1-CD1 4.43Å; L131-L135 HydrophobicContact CD1-CD2 4.16Å; L131-L135 HydrophobicContact CD1-CG 4.1Å; L131-L135 HydrophobicContact CG-CD1 4.16Å; L131-L135 HydrophobicContact CG-CG 4.25Å; L131-L135 WeakPolarHBondContact O-CG 3.06Å; L131-L135 PolarHBondContact O-N 2.9Å
132L98.1Very high96.5Very high30 Ų3058.1 Ų58.116%0.15729%0.289CS..Hα-helixtrans-56.6-42.4177.5-176.563.4000112.1I117 L120 V121 P125 Y128 Q129 T136I117-L132 HydrophobicContact CB-CD1 4.32Å; I117-L132 HydrophobicContact CG1-CD1 4.33Å; I117-L132 HydrophobicContact CG2-CD1 3.88Å; L120-L132 HydrophobicContact CD2-CB 4Å; L120-L132 HydrophobicContact CD2-CD1 4.33Å; V121-L132 HydrophobicContact CG2-CD1 3.78Å; V121-L132 HydrophobicContact CG2-CD2 3.82Å; V121-L132 HydrophobicContact CG2-CG 4.47Å; P125-L132 HydrophobicContact CB-CD2 4.43Å; Y128-L132 PolarHBondContact O-N 2.83Å; Q129-L132 PolarHBondContact O-N 3.09Å; L132-T136 WeakPolarHBondContact O-CB 3.4Å; L132-T136 PolarHBondContact O-N 3.03Å; L132-T136 PolarHBondContact O-OG1 3.35Å
133Q98.3Very high96.6Very high116 Ų11654.3 Ų54.354%0.54227%0.272SS..Hα-helixtrans-64-42.3174.4-74.1172.7-3.200112Q129 E130 L131 T136 K137Q129-Q133 WeakPolarHBondContact O-CG 3.45Å; Q129-Q133 PolarHBondContact O-N 3.33Å; E130-Q133 PolarHBondContact O-N 3.14Å; L131-Q133 VanDerWaalsContact C-N 3.28Å; L131-Q133 PolarHBondContact O-N 2.55Å; Q133-T136 PolarHBondContact O-N 3.14Å; Q133-K137 WeakPolarHBondContact O-CB 3.35Å; Q133-K137 PolarHBondContact O-N 3.21Å
134T98.5Very high96.8Very high18 Ų1856.7 Ų56.711%0.1128%0.278CS..Hα-helixtrans-60.7-52176.9-57.90000110.9K60 E130 L131 T136 K137 F138K60-T134 HydrophobicContact CD-CG2 4.4Å; K60-T134 HydrophobicContact CG-CG2 3.64Å; E130-T134 WeakPolarHBondContact O-CB 3Å; E130-T134 PolarHBondContact O-N 3Å; E130-T134 PolarHBondContact O-OG1 3.14Å; L131-T134 WeakPolarHBondContact O-CA 3.32Å; L131-T134 WeakPolarHBondContact O-CB 3.49Å; L131-T134 PolarHBondContact O-N 3.02Å; T134-T136 VanDerWaalsContact C-N 3.29Å; T134-T136 PolarHBondContact O-N 3.07Å; T134-K137 PolarHBondContact O-N 3.23Å; T134-F138 HydrophobicContact CG2-CD2 3.94Å; T134-F138 HydrophobicContact CG2-CE1 4.43Å; T134-F138 HydrophobicContact CG2-CE2 3.58Å; T134-F138 HydrophobicContact CG2-CZ 3.86Å; T134-F138 WeakPolarHBondContact O-CG 3.2Å; T134-F138 PolarHBondContact O-N 3.38Å
135L98.6Very high97.2Very high0 Ų055.8 Ų55.80%027%0.273CS..Hα-helixtrans-60.6-39178.6-59.8178.2000111.7I16 D20 F61 Y113 Q116 I117 L120 L131 R139I16-L135 HydrophobicContact CG2-CD1 4.01Å; I16-L135 HydrophobicContact CG2-CD2 4Å; D20-L135 WeakPolarHBondContact OD2-CD2 3.27Å; F61-L135 HydrophobicContact CE1-CD2 4.29Å; F61-L135 HydrophobicContact CZ-CD2 4.04Å; Y113-L135 HydrophobicContact CD1-CB 4.1Å; Y113-L135 HydrophobicContact CD1-CD2 3.8Å; Y113-L135 HydrophobicContact CD1-CG 4.5Å; Y113-L135 HydrophobicContact CE1-CB 4.45Å; Y113-L135 HydrophobicContact CE1-CD2 3.55Å; Q116-L135 HydrophobicContact CB-CD1 4.26Å; I117-L135 HydrophobicContact CD1-CB 4.25Å; I117-L135 HydrophobicContact CG1-CB 3.8Å; I117-L135 HydrophobicContact CG1-CD1 4.5Å; L120-L135 HydrophobicContact CD2-CD1 4.26Å; L131-L135 HydrophobicContact CD1-CD1 4.43Å; L131-L135 HydrophobicContact CD1-CD2 4.16Å; L131-L135 HydrophobicContact CD1-CG 4.1Å; L131-L135 HydrophobicContact CG-CD1 4.16Å; L131-L135 HydrophobicContact CG-CG 4.25Å; L131-L135 WeakPolarHBondContact O-CG 3.06Å; L131-L135 PolarHBondContact O-N 2.9Å; L135-R139 VanDerWaalsContact O-CB 3.26Å; L135-R139 WeakPolarHBondContact O-CB 3.43Å; L135-R139 PolarHBondContact O-N 2.94Å
136T98.6Very high97.5Very high43 Ų4355.4 Ų55.426%0.26427%0.267SS..Hα-helixtrans-64.9-45.1177.8-57.70000111.3L132 Q133 T134 D140L132-T136 WeakPolarHBondContact O-CB 3.4Å; L132-T136 PolarHBondContact O-N 3.03Å; L132-T136 PolarHBondContact O-OG1 3.35Å; Q133-T136 PolarHBondContact O-N 3.14Å; T134-T136 VanDerWaalsContact C-N 3.29Å; T134-T136 PolarHBondContact O-N 3.07Å; T136-D140 VanDerWaalsContact O-CG 3.28Å; T136-D140 PolarHBondContact O-N 2.7Å
137K98.7Very high97.8Very high92 Ų9252.5 Ų52.540%0.426%0.255SS..Hα-helixtrans-59.7-51.8177-173.3-165.1177.3-98.20110.8Q133 T134 R139 D140 E141Q133-K137 WeakPolarHBondContact O-CB 3.35Å; Q133-K137 PolarHBondContact O-N 3.21Å; T134-K137 PolarHBondContact O-N 3.23Å; K137-R139 PolarHBondContact O-N 3Å; K137-D140 PolarHBondContact O-N 2.97Å; K137-D140 VanDerWaalsContact O-N 3.12Å; K137-E141 WeakPolarHBondContact CE-OE1 3.42Å; K137-E141 WeakPolarHBondContact CE-OE2 3.44Å; K137-E141 WeakPolarHBondContact CG-OE2 3.36Å; K137-E141 IonicContact NZ-OE1 3.53Å; K137-E141 PolarHBondContact NZ-OE1 3.17Å; K137-E141 IonicContact NZ-OE2 3.88Å; K137-E141 PolarHBondContact NZ-OE2 3.47Å; K137-E141 PolarHBondContact O-N 3.38Å
138F98.7Very high98Very high8 Ų851.4 Ų51.44%0.03525%0.249CC..Hα-helixtrans-65.8-40.4-176.4-66.4-7.4000111.6H57 K60 F61 Y113 T134 D140 E141 E142H57-F138 HydrophobicContact CB-CD2 4.22Å; H57-F138 HydrophobicContact CB-CE2 4.02Å; H57-F138 HydrophobicContact CB-CZ 4.23Å; H57-F138 AromaticContact CD2-CD1 3.37Å; H57-F138 WeakPolarHBondContact CD2-CD1 3.37Å; H57-F138 AromaticContact CD2-CE1 3.38Å; H57-F138 WeakPolarHBondContact CD2-CE1 3.46Å; H57-F138 AromaticContact CD2-CG 3.83Å; H57-F138 AromaticContact CD2-CZ 3.83Å; H57-F138 AromaticContact NE2-CD1 3.6Å; K60-F138 HydrophobicContact CB-CE2 3.81Å; K60-F138 HydrophobicContact CB-CZ 3.55Å; K60-F138 HydrophobicContact CG-CE2 3.86Å; K60-F138 HydrophobicContact CG-CZ 3.69Å; F61-F138 HydrophobicContact CD2-CE2 4.17Å; F61-F138 AromaticContact CE2-CD2 3.58Å; F61-F138 HydrophobicContact CE2-CD2 3.58Å; F61-F138 AromaticContact CE2-CE2 3.62Å; F61-F138 HydrophobicContact CE2-CE2 3.62Å; F61-F138 HydrophobicContact CZ-CD2 4.05Å; F61-F138 HydrophobicContact CZ-CE2 4.25Å; Y113-F138 HydrophobicContact CE1-CB 4.28Å; Y113-F138 HydrophobicContact CE2-CB 3.97Å; T134-F138 HydrophobicContact CG2-CD2 3.94Å; T134-F138 HydrophobicContact CG2-CE1 4.43Å; T134-F138 HydrophobicContact CG2-CE2 3.58Å; T134-F138 HydrophobicContact CG2-CZ 3.86Å; T134-F138 WeakPolarHBondContact O-CG 3.2Å; T134-F138 PolarHBondContact O-N 3.38Å; F138-D140 VanDerWaalsContact C-N 3.26Å; F138-D140 PolarHBondContact O-N 3.23Å; F138-E141 WeakPolarHBondContact CD1-OE2 3.33Å; F138-E141 PolarHBondContact O-N 3.45Å; F138-E141 VanDerWaalsContact O-N 3.17Å; F138-E142 WeakPolarHBondContact O-CG 3.36Å; F138-E142 PolarHBondContact O-N 2.86Å
139R98.6Very high98.2Very high47 Ų4750.3 Ų50.318%0.17724%0.244CC..Hα-helixtrans-50.6-47.8170.5-176.9-155.858.6-156.9-5.4112.3Y113 N114 I117 L135 K137 E142 M143Y113-R139 HydrophobicContact CD2-CB 4.4Å; Y113-R139 HydrophobicContact CG-CB 4.19Å; N114-R139 VanDerWaalsContact CG-CD 3.47Å; N114-R139 WeakPolarHBondContact OD1-CD 3.24Å; N114-R139 PolarHBondContact OD1-NH1 3.29Å; I117-R139 HydrophobicContact CD1-CB 4.24Å; L135-R139 VanDerWaalsContact O-CB 3.26Å; L135-R139 WeakPolarHBondContact O-CB 3.43Å; L135-R139 PolarHBondContact O-N 2.94Å; K137-R139 PolarHBondContact O-N 3Å; R139-E142 PolarHBondContact O-N 2.64Å; R139-M143 HydrophobicContact CG-SD 4.39Å; R139-M143 WeakPolarHBondContact O-CG 3.49Å; R139-M143 PolarHBondContact O-N 3.45Å
140D98.6Very high98.3Very high66 Ų6647.6 Ų47.635%0.35323%0.233SC..Hα-helixtrans-68.1-39.8-176.8-66.3-15.6000110.8T136 K137 F138 M143 E144T136-D140 VanDerWaalsContact O-CG 3.28Å; T136-D140 PolarHBondContact O-N 2.7Å; K137-D140 PolarHBondContact O-N 2.97Å; K137-D140 VanDerWaalsContact O-N 3.12Å; F138-D140 VanDerWaalsContact C-N 3.26Å; F138-D140 PolarHBondContact O-N 3.23Å; D140-M143 WeakPolarHBondContact O-CB 3.5Å; D140-M143 PolarHBondContact O-N 3.24Å; D140-E144 PolarHBondContact O-N 3.25Å
141E98.5Very high98.4Very high27 Ų2747.5 Ų47.513%0.12623%0.233CC..Hα-helixtrans-63.4-40.2173.8-69.4173.5137.700111.9H57 K137 F138 M143 E144 H145H57-E141 IonicContact CD2-OE2 2.7Å; H57-E141 IonicContact NE2-OE2 3.74Å; H57-E141 PolarHBondContact NE2-OE2 2.94Å; H57-E141 VanDerWaalsContact NE2-OE2 3.09Å; K137-E141 WeakPolarHBondContact CE-OE1 3.42Å; K137-E141 WeakPolarHBondContact CE-OE2 3.44Å; K137-E141 WeakPolarHBondContact CG-OE2 3.36Å; K137-E141 IonicContact NZ-OE1 3.53Å; K137-E141 PolarHBondContact NZ-OE1 3.17Å; K137-E141 IonicContact NZ-OE2 3.88Å; K137-E141 PolarHBondContact NZ-OE2 3.47Å; K137-E141 PolarHBondContact O-N 3.38Å; F138-E141 WeakPolarHBondContact CD1-OE2 3.33Å; F138-E141 PolarHBondContact O-N 3.45Å; F138-E141 VanDerWaalsContact O-N 3.17Å; E141-M143 VanDerWaalsContact C-N 3.32Å; E141-M143 PolarHBondContact O-N 3.26Å; E141-E144 WeakPolarHBondContact O-CB 3.26Å; E141-E144 PolarHBondContact O-N 3.04Å; E141-E144 VanDerWaalsContact O-N 3.11Å; E141-H145 PolarHBondContact O-CD2 2.98Å; E141-H145 PolarHBondContact O-N 3.32Å
142E98.5Very high98.4Very high0 Ų049.9 Ų49.90%024%0.244CC..Hα-helixtrans-65.9-33.9174.3-61.2-40.4152.800113.3H57 E106 I109 S110 Y113 F138 R139 E144 H145 H146H57-E142 IonicContact CE1-OE1 3.91Å; H57-E142 PolarHBondContact CE1-OE1 2.88Å; H57-E142 IonicContact ND1-OE1 2.86Å; H57-E142 PolarHBondContact ND1-OE1 2.95Å; E106-E142 VanDerWaalsContact OE2-OE2 3.12Å; I109-E142 HydrophobicContact CB-CG 4.45Å; I109-E142 HydrophobicContact CG2-CG 3.78Å; S110-E142 VanDerWaalsContact OG-CB 3.29Å; S110-E142 WeakPolarHBondContact OG-CB 3.39Å; Y113-E142 HydrophobicContact CD2-CG 4.18Å; Y113-E142 HydrophobicContact CE2-CG 3.97Å; F138-E142 WeakPolarHBondContact O-CG 3.36Å; F138-E142 PolarHBondContact O-N 2.86Å; R139-E142 PolarHBondContact O-N 2.64Å; E142-E144 VanDerWaalsContact C-N 3.31Å; E142-H145 WeakPolarHBondContact O-CB 3.44Å; E142-H145 PolarHBondContact O-N 3.29Å; E142-H145 IonicContact OE2-CE1 2.83Å; E142-H145 IonicContact OE2-CG 3.09Å; E142-H145 IonicContact OE2-ND1 2.87Å; E142-H145 PolarHBondContact OE2-ND1 3.48Å; E142-H146 WeakPolarHBondContact O-CB 3.37Å; E142-H146 PolarHBondContact O-N 3.17Å
143M98.6Very high98.4Very high84 Ų8451.9 Ų51.941%0.41425%0.254SS..Hα-helixtrans-66.2-37172.8-70.9177.159.900111R139 D140 E141 H146 D147R139-M143 HydrophobicContact CG-SD 4.39Å; R139-M143 WeakPolarHBondContact O-CG 3.49Å; R139-M143 PolarHBondContact O-N 3.45Å; D140-M143 WeakPolarHBondContact O-CB 3.5Å; D140-M143 PolarHBondContact O-N 3.24Å; E141-M143 VanDerWaalsContact C-N 3.32Å; E141-M143 PolarHBondContact O-N 3.26Å; M143-H146 WeakPolarHBondContact O-CB 3.48Å; M143-H146 PolarHBondContact O-N 3.5Å; M143-D147 WeakPolarHBondContact O-CB 3.44Å; M143-D147 VanDerWaalsContact O-CG 3.25Å; M143-D147 PolarHBondContact O-N 3.12Å
144E98.4Very high98.3Very high103 Ų10346.3 Ų46.348%0.48123%0.228SC..Hα-helixtrans-64.9-38.1172.1-67-178.8-170.800112.4D140 E141 E142 D147 T148D140-E144 PolarHBondContact O-N 3.25Å; E141-E144 WeakPolarHBondContact O-CB 3.26Å; E141-E144 PolarHBondContact O-N 3.04Å; E141-E144 VanDerWaalsContact O-N 3.11Å; E142-E144 VanDerWaalsContact C-N 3.31Å; E144-D147 PolarHBondContact O-N 3.26Å; E144-T148 WeakPolarHBondContact O-CB 3.36Å; E144-T148 PolarHBondContact O-N 3.46Å; E144-T148 PolarHBondContact O-OG1 2.87Å
145H98.5Very high98.3Very high1 Ų151.8 Ų51.81%0.00525%0.253CS..Hα-helixtrans-63.6-46.1174-63.6165.5000111.5M50 Q53 E54 E106 E141 E142 D147 T148 G149M50-H145 HydrophobicContact SD-CB 4.12Å; Q53-H145 PolarHBondContact OE1-NE2 3.03Å; E54-H145 IonicContact OE1-CE1 3.33Å; E54-H145 PolarHBondContact OE1-CE1 3.09Å; E54-H145 IonicContact OE1-ND1 3.04Å; E54-H145 PolarHBondContact OE1-ND1 2.93Å; E106-H145 HydrophobicContact CG-CB 3.73Å; E141-H145 PolarHBondContact O-CD2 2.98Å; E141-H145 PolarHBondContact O-N 3.32Å; E142-H145 WeakPolarHBondContact O-CB 3.44Å; E142-H145 PolarHBondContact O-N 3.29Å; E142-H145 IonicContact OE2-CE1 2.83Å; E142-H145 IonicContact OE2-CG 3.09Å; E142-H145 IonicContact OE2-ND1 2.87Å; E142-H145 PolarHBondContact OE2-ND1 3.48Å; H145-D147 PolarHBondContact O-N 2.92Å; H145-T148 WeakPolarHBondContact O-CB 3.47Å; H145-T148 PolarHBondContact O-N 3.35Å; H145-G149 PolarHBondContact O-N 2.86Å
146H98.4Very high98.2Very high42 Ų4257.2 Ų57.219%0.19428%0.278CS..Hα-helixtrans-55-51.5173.4171.9-85.3000111.5V103 E106 E142 M143 T148 G149 L150V103-H146 WeakPolarHBondContact CG2-O 3.44Å; V103-H146 PolarHBondContact O-CD2 3Å; E106-H146 HydrophobicContact CB-CB 3.92Å; E142-H146 WeakPolarHBondContact O-CB 3.37Å; E142-H146 PolarHBondContact O-N 3.17Å; M143-H146 WeakPolarHBondContact O-CB 3.48Å; M143-H146 PolarHBondContact O-N 3.5Å; H146-T148 VanDerWaalsContact C-N 3.35Å; H146-T148 PolarHBondContact O-N 3.39Å; H146-G149 WeakPolarHBondContact O-CA 3.48Å; H146-G149 PolarHBondContact O-N 3.21Å; H146-L150 VanDerWaalsContact CE1-CD1 3.41Å; H146-L150 WeakPolarHBondContact CE1-CD1 3.35Å; H146-L150 PolarHBondContact O-N 3.23Å; H146-L150 VanDerWaalsContact O-N 3.08Å
147D98.5Very high98.1Very high77 Ų7755.5 Ų55.541%0.41227%0.268SS..Hα-helixtrans-66.7-38.1-177.6-69.8-8.1000111.3M143 E144 H145 G149 L150 E151M143-D147 WeakPolarHBondContact O-CB 3.44Å; M143-D147 VanDerWaalsContact O-CG 3.25Å; M143-D147 PolarHBondContact O-N 3.12Å; E144-D147 PolarHBondContact O-N 3.26Å; H145-D147 PolarHBondContact O-N 2.92Å; D147-G149 VanDerWaalsContact C-N 3.26Å; D147-G149 PolarHBondContact O-N 3.18Å; D147-L150 PolarHBondContact O-N 2.72Å; D147-L150 VanDerWaalsContact O-N 3.13Å; D147-E151 WeakPolarHBondContact O-CG 3.49Å; D147-E151 PolarHBondContact O-N 2.7Å
148T98.4Very high97.8Very high29 Ų2954.9 Ų54.918%0.17827%0.274CS..Hα-helixtrans-56.2-42.8170.5-62.80000110.9M50 E144 H145 H146 E151 H152M50-T148 HydrophobicContact CE-CG2 4.41Å; M50-T148 HydrophobicContact SD-CG2 4.03Å; E144-T148 WeakPolarHBondContact O-CB 3.36Å; E144-T148 PolarHBondContact O-N 3.46Å; E144-T148 PolarHBondContact O-OG1 2.87Å; H145-T148 WeakPolarHBondContact O-CB 3.47Å; H145-T148 PolarHBondContact O-N 3.35Å; H146-T148 VanDerWaalsContact C-N 3.35Å; H146-T148 PolarHBondContact O-N 3.39Å; T148-E151 PolarHBondContact O-N 3.04Å; T148-H152 PolarHBondContact O-N 3.47Å; T148-H152 VanDerWaalsContact O-N 3.16Å; T148-H152 PolarHBondContact O-ND1 2.98Å
149G98.2Very high97.6Very high0 Ų062.2 Ų62.20%031%0.306CS..Hα-helixtrans-61-44.4176.300000112.6H145 H146 D147 H152 A154H145-G149 PolarHBondContact O-N 2.86Å; H146-G149 WeakPolarHBondContact O-CA 3.48Å; H146-G149 PolarHBondContact O-N 3.21Å; D147-G149 VanDerWaalsContact C-N 3.26Å; D147-G149 PolarHBondContact O-N 3.18Å; G149-H152 CarbonylContact O-C 3.56Å; G149-H152 PolarHBondContact O-N 2.98Å; G149-A154 WeakPolarHBondContact O-CB 3.34Å; G149-A154 PolarHBondContact O-N 3.35Å
150L98.3Very high97.5Very high59 Ų5961.6 Ų61.631%0.30930%0.304SS..Hα-helixtrans-62.6-45.1176-68.5178.7000112.4V103 H146 D147 H152 D153 E155V103-L150 HydrophobicContact CG1-CD2 4.03Å; V103-L150 HydrophobicContact CG1-CG 4.49Å; V103-L150 HydrophobicContact CG2-CD2 3.99Å; V103-L150 HydrophobicContact CG2-CG 4.03Å; H146-L150 VanDerWaalsContact CE1-CD1 3.41Å; H146-L150 WeakPolarHBondContact CE1-CD1 3.35Å; H146-L150 PolarHBondContact O-N 3.23Å; H146-L150 VanDerWaalsContact O-N 3.08Å; D147-L150 PolarHBondContact O-N 2.72Å; D147-L150 VanDerWaalsContact O-N 3.13Å; L150-H152 PolarHBondContact O-N 2.95Å; L150-D153 PolarHBondContact O-N 2.91Å; L150-E155 HydrophobicContact CD2-CG 3.93Å
151E98.1Very high97.4Very high149 Ų14964 Ų6470%0.69632%0.317SS*.Hα-helixtrans-59.9-25.9177.1-72.8178.1175.600113.1D147 T148D147-E151 WeakPolarHBondContact O-CG 3.49Å; D147-E151 PolarHBondContact O-N 2.7Å; T148-E151 PolarHBondContact O-N 3.04Å
152H97.5Very high97.4Very high57 Ų5767.7 Ų67.726%0.26434%0.336SS..THydrogen-bonded Turntrans-103.441.2-178.7-65.475.7000112.6I43 M99 T148 G149 L150 A154I43-H152 HydrophobicContact CD1-CB 3.6Å; M99-H152 HydrophobicContact CG-CB 3.78Å; M99-H152 HydrophobicContact SD-CB 4.16Å; T148-H152 PolarHBondContact O-N 3.47Å; T148-H152 VanDerWaalsContact O-N 3.16Å; T148-H152 PolarHBondContact O-ND1 2.98Å; G149-H152 CarbonylContact O-C 3.56Å; G149-H152 PolarHBondContact O-N 2.98Å; L150-H152 PolarHBondContact O-N 2.95Å; H152-A154 VanDerWaalsContact C-N 3.3Å; H152-A154 PolarHBondContact O-N 2.98Å
153D97.1Very high97.3Very high71 Ų7169.1 Ų69.138%0.3834%0.343SS..THydrogen-bonded Turntrans61.428.2169.8-60.5-46.2000114.8K96 L150 E155 Q156K96-D153 HydrophobicContact CD-CB 4.1Å; K96-D153 HydrophobicContact CG-CB 3.96Å; L150-D153 PolarHBondContact O-N 2.91Å; D153-E155 VanDerWaalsContact C-N 3.26Å; D153-E155 PolarHBondContact O-N 3.49Å; D153-Q156 HydrophobicContact CB-CB 4.26Å; D153-Q156 HydrophobicContact CB-CG 4.37Å; D153-Q156 WeakPolarHBondContact O-CB 3.44Å; D153-Q156 PolarHBondContact O-N 3.26Å; D153-Q156 PolarHBondContact OD1-NE2 3Å
154A97.3Very high97.3Very high0 Ų065.4 Ų65.40%033%0.325CS..G310 helixtrans-49.7-47.217600000112.3M99 A100 V103 G149 H152 Q156 A157 Y160M99-A154 HydrophobicContact CB-CB 3.91Å; A100-A154 HydrophobicContact CB-CB 4.21Å; V103-A154 HydrophobicContact CB-CB 4.41Å; V103-A154 HydrophobicContact CG2-CB 3.62Å; G149-A154 WeakPolarHBondContact O-CB 3.34Å; G149-A154 PolarHBondContact O-N 3.35Å; H152-A154 VanDerWaalsContact C-N 3.3Å; H152-A154 PolarHBondContact O-N 2.98Å; A154-Q156 PolarHBondContact O-N 3.46Å; A154-Q156 VanDerWaalsContact O-N 3.08Å; A154-A157 WeakPolarHBondContact O-CB 3.43Å; A154-A157 PolarHBondContact O-N 3.03Å; A154-Y160 HydrophobicContact CB-CE2 4.13Å; A154-Y160 WeakPolarHBondContact O-CD2 3.34Å
155E97.5Very high97.3Very high132 Ų13266.1 Ų66.162%0.61733%0.329SS*.G310 helixtrans-64.7-16-177.9-61.8-173.9121.200113.7L150 D153 A157 Y160L150-E155 HydrophobicContact CD2-CG 3.93Å; D153-E155 VanDerWaalsContact C-N 3.26Å; D153-E155 PolarHBondContact O-N 3.49Å; E155-A157 VanDerWaalsContact C-N 3.31Å; E155-Y160 HydrophobicContact CG-CE1 4.12Å; E155-Y160 HydrophobicContact CG-CE2 4.37Å
156Q97.3Very high97.3Very high114 Ų11471.7 Ų71.753%0.53336%0.357SS..G310 helixtrans-90.86175.7-60.5174.132.400112.5K96 D153 A154K96-Q156 HydrophobicContact CD-CB 3.8Å; D153-Q156 HydrophobicContact CB-CB 4.26Å; D153-Q156 HydrophobicContact CB-CG 4.37Å; D153-Q156 WeakPolarHBondContact O-CB 3.44Å; D153-Q156 PolarHBondContact O-N 3.26Å; D153-Q156 PolarHBondContact OD1-NE2 3Å; A154-Q156 PolarHBondContact O-N 3.46Å; A154-Q156 VanDerWaalsContact O-N 3.08Å
157A96.9Very high97.2Very high7 Ų770.2 Ų70.26%0.05835%0.351CS..SBendtrans-63.7143.4173.200000111.2K96 A100 A154 E155 F159 Y160 M163K96-A157 HydrophobicContact CB-CB 4.13Å; A100-A157 HydrophobicContact CB-CB 3.7Å; A154-A157 WeakPolarHBondContact O-CB 3.43Å; A154-A157 PolarHBondContact O-N 3.03Å; E155-A157 VanDerWaalsContact C-N 3.31Å; A157-F159 PolarHBondContact O-N 3.38Å; A157-Y160 HydrophobicContact CB-CD2 4.43Å; A157-Y160 PolarHBondContact O-N 2.95Å; A157-M163 HydrophobicContact CB-CE 4.24Å
158P91.8Very high97.2Very high80 Ų8068.6 Ų68.652%0.51934%0.34SS..THydrogen-bonded Turntrans-55.4127.8170.6-22.533000110.6Y160P158-Y160 PolarHBondContact O-N 3.37Å
159F94.3Very high97.3Very high161 Ų16170 Ų7071%0.70636%0.355SS*.THydrogen-bonded Turntrans57.133.6179.3-46.1-79.1000114.1A157 D161 I162 M163A157-F159 PolarHBondContact O-N 3.38Å; F159-D161 VanDerWaalsContact C-N 3.34Å; F159-D161 PolarHBondContact O-N 3.18Å; F159-I162 HydrophobicContact CB-CB 4.36Å; F159-I162 HydrophobicContact CD1-CD1 4.38Å; F159-I162 PolarHBondContact O-N 3.44Å; F159-M163 PolarHBondContact O-N 2.9Å
160Y97Very high97.2Very high34 Ų3471.7 Ų71.713%0.13337%0.372CS..Hα-helixtrans-39.4-59-179175.7-102.3000112.9A100 V103 A154 E155 A157 P158 I162 M163 S164A100-Y160 HydrophobicContact CB-CD2 3.5Å; A100-Y160 VanDerWaalsContact CB-CD2 3.5Å; A100-Y160 HydrophobicContact CB-CE2 3.7Å; V103-Y160 VanDerWaalsContact CG1-OH 3.26Å; V103-Y160 WeakPolarHBondContact CG1-OH 3.28Å; A154-Y160 HydrophobicContact CB-CE2 4.13Å; A154-Y160 WeakPolarHBondContact O-CD2 3.34Å; E155-Y160 HydrophobicContact CG-CE1 4.12Å; E155-Y160 HydrophobicContact CG-CE2 4.37Å; A157-Y160 HydrophobicContact CB-CD2 4.43Å; A157-Y160 PolarHBondContact O-N 2.95Å; P158-Y160 PolarHBondContact O-N 3.37Å; Y160-I162 PolarHBondContact O-N 3.23Å; Y160-M163 PolarHBondContact O-N 3.37Å; Y160-S164 WeakPolarHBondContact O-CB 3.44Å; Y160-S164 PolarHBondContact O-N 3.28Å; Y160-S164 PolarHBondContact O-OG 2.94Å; Y160-S164 VanDerWaalsContact O-OG 3.07Å
161D97.4Very high97.2Very high117 Ų11770.2 Ų70.263%0.62637%0.366SS*.Hα-helixtrans-57.3-45.9-177.1-65.7-37.4000112.8F159 S164 Q165F159-D161 VanDerWaalsContact C-N 3.34Å; F159-D161 PolarHBondContact O-N 3.18Å; D161-S164 PolarHBondContact O-N 3.01Å; D161-Q165 VanDerWaalsContact O-CG 3.24Å; D161-Q165 WeakPolarHBondContact O-CG 3.05Å; D161-Q165 PolarHBondContact O-N 3.39Å
162I97.6Very high97.2Very high104 Ų10468.4 Ų68.453%0.53335%0.353SS..Hα-helixtrans-65-47.2-178.4-62.9174.1000109.9F159 Y160 Q165 I166F159-I162 HydrophobicContact CB-CB 4.36Å; F159-I162 HydrophobicContact CD1-CD1 4.38Å; F159-I162 PolarHBondContact O-N 3.44Å; Y160-I162 PolarHBondContact O-N 3.23Å; I162-Q165 PolarHBondContact O-N 3.02Å; I162-I166 HydrophobicContact CG2-CD1 3.9Å; I162-I166 WeakPolarHBondContact O-CG1 3.48Å; I162-I166 PolarHBondContact O-N 2.96Å
163M96.2Very high97.3Very high31 Ų3168.1 Ų68.115%0.15336%0.361CS..Hα-helixtrans-62.3-46.4178.8-177.6173.46500111S97 A100 A157 F159 Y160 Q165 I166 I167S97-M163 WeakPolarHBondContact O-CE 3.3Å; A100-M163 HydrophobicContact CB-CE 3.2Å; A157-M163 HydrophobicContact CB-CE 4.24Å; F159-M163 PolarHBondContact O-N 2.9Å; Y160-M163 PolarHBondContact O-N 3.37Å; M163-Q165 VanDerWaalsContact C-N 3.34Å; M163-Q165 PolarHBondContact O-N 3.27Å; M163-I166 PolarHBondContact O-N 3.04Å; M163-I167 HydrophobicContact CG-CD1 3.63Å; M163-I167 HydrophobicContact CG-CG1 4.34Å; M163-I167 WeakPolarHBondContact O-CB 3.39Å; M163-I167 VanDerWaalsContact O-CG1 3.3Å; M163-I167 WeakPolarHBondContact O-CG1 3.28Å; M163-I167 PolarHBondContact O-N 3.5Å; M163-I167 HydrophobicContact SD-CD1 4.37Å
164S98Very high97.2Very high5 Ų566.7 Ų66.74%0.03536%0.357CS..Hα-helixtrans-59.6-43.6177.2-65.10000111.6Y160 D161 I167 K168Y160-S164 WeakPolarHBondContact O-CB 3.44Å; Y160-S164 PolarHBondContact O-N 3.28Å; Y160-S164 PolarHBondContact O-OG 2.94Å; Y160-S164 VanDerWaalsContact O-OG 3.07Å; D161-S164 PolarHBondContact O-N 3.01Å; S164-I167 PolarHBondContact O-N 2.67Å; S164-K168 VanDerWaalsContact O-CB 3.29Å; S164-K168 WeakPolarHBondContact O-CB 3.32Å; S164-K168 WeakPolarHBondContact O-CG 3.47Å; S164-K168 PolarHBondContact O-N 2.94Å
165Q98.3Very high97.2Very high119 Ų11968.3 Ų68.356%0.55637%0.365SS*.Hα-helixtrans-64.3-42.1177.4-67.8-58-21.600112.6D161 I162 M163 A169D161-Q165 VanDerWaalsContact O-CG 3.24Å; D161-Q165 WeakPolarHBondContact O-CG 3.05Å; D161-Q165 PolarHBondContact O-N 3.39Å; I162-Q165 PolarHBondContact O-N 3.02Å; M163-Q165 VanDerWaalsContact C-N 3.34Å; M163-Q165 PolarHBondContact O-N 3.27Å; Q165-A169 VanDerWaalsContact O-CB 3.27Å; Q165-A169 WeakPolarHBondContact O-CB 3.35Å; Q165-A169 PolarHBondContact O-N 2.94Å
166I98.3Very high97.2Very high117 Ų11767.2 Ų67.260%0.636%0.358SS*.Hα-helixtrans-62-48.1177.3-70.1168.6000110.7I162 M163 A169 G170I162-I166 HydrophobicContact CG2-CD1 3.9Å; I162-I166 WeakPolarHBondContact O-CG1 3.48Å; I162-I166 PolarHBondContact O-N 2.96Å; M163-I166 PolarHBondContact O-N 3.04Å; I166-A169 PolarHBondContact O-N 3.19Å; I166-G170 PolarHBondContact O-N 2.98Å
167I98.3Very high97.2Very high11 Ų1165 Ų656%0.05635%0.35CS..Hα-helixtrans-63.8-47.6-179.6-68.2172.4000110.3L86 C101 A104 V105 M163 S164 A169 G170 C171L86-I167 HydrophobicContact CD1-CD1 4.05Å; L86-I167 HydrophobicContact CD1-CG1 4.04Å; L86-I167 HydrophobicContact CD2-CG1 4.42Å; L86-I167 HydrophobicContact CD2-CG2 4.27Å; C101-I167 HydrophobicContact CB-CD1 3.92Å; A104-I167 HydrophobicContact CB-CB 3.84Å; A104-I167 HydrophobicContact CB-CD1 4.36Å; A104-I167 HydrophobicContact CB-CG2 3.65Å; V105-I167 HydrophobicContact CG2-CG2 3.51Å; M163-I167 HydrophobicContact CG-CD1 3.63Å; M163-I167 HydrophobicContact CG-CG1 4.34Å; M163-I167 WeakPolarHBondContact O-CB 3.39Å; M163-I167 VanDerWaalsContact O-CG1 3.3Å; M163-I167 WeakPolarHBondContact O-CG1 3.28Å; M163-I167 PolarHBondContact O-N 3.5Å; M163-I167 HydrophobicContact SD-CD1 4.37Å; S164-I167 PolarHBondContact O-N 2.67Å; I167-A169 VanDerWaalsContact C-N 3.32Å; I167-A169 PolarHBondContact O-N 2.7Å; I167-G170 WeakPolarHBondContact O-CA 3.34Å; I167-G170 PolarHBondContact O-N 3.31Å; I167-G170 VanDerWaalsContact O-N 3.1Å; I167-C171 PolarHBondContact O-N 3.18Å; I167-C171 PolarHBondContact O-SG 3.32Å; I167-C171 VanDerWaalsContact O-SG 3.4Å
168K98.6Very high97.1Very high43 Ų4364.8 Ų64.819%0.18735%0.348CS..Hα-helixtrans-60-41.7178-69.8-178.4-168-150.60112A104 S107 V108 S164 C171 R172A104-K168 HydrophobicContact CB-CG 4.23Å; A104-K168 WeakPolarHBondContact O-CG 3.17Å; S107-K168 WeakPolarHBondContact OG-CE 3.41Å; S107-K168 PolarHBondContact OG-NZ 3.37Å; V108-K168 HydrophobicContact CG2-CB 3.84Å; V108-K168 HydrophobicContact CG2-CD 4.46Å; V108-K168 HydrophobicContact CG2-CG 3.7Å; S164-K168 VanDerWaalsContact O-CB 3.29Å; S164-K168 WeakPolarHBondContact O-CB 3.32Å; S164-K168 WeakPolarHBondContact O-CG 3.47Å; S164-K168 PolarHBondContact O-N 2.94Å; K168-C171 PolarHBondContact O-N 3.03Å; K168-R172 WeakPolarHBondContact O-CG 3.46Å; K168-R172 PolarHBondContact O-N 3.31Å
169A98.5Very high97.2Very high59 Ų5963 Ų6349%0.48833%0.332SS..Hα-helixtrans-62.8-42.7175.100000111.7Q165 I166 I167 R172 A173Q165-A169 VanDerWaalsContact O-CB 3.27Å; Q165-A169 WeakPolarHBondContact O-CB 3.35Å; Q165-A169 PolarHBondContact O-N 2.94Å; I166-A169 PolarHBondContact O-N 3.19Å; I167-A169 VanDerWaalsContact C-N 3.32Å; I167-A169 PolarHBondContact O-N 2.7Å; A169-R172 PolarHBondContact O-N 3.19Å; A169-A173 WeakPolarHBondContact O-CB 3.24Å; A169-A173 PolarHBondContact O-N 3.25Å
170G98Very high97.1Very high36 Ų3662.2 Ų62.237%0.37133%0.325SS..Hα-helixtrans-59.6-48.5174.100000112.7I166 I167 R172 A173 S174I166-G170 PolarHBondContact O-N 2.98Å; I167-G170 WeakPolarHBondContact O-CA 3.34Å; I167-G170 PolarHBondContact O-N 3.31Å; I167-G170 VanDerWaalsContact O-N 3.1Å; G170-R172 PolarHBondContact O-N 2.98Å; G170-A173 PolarHBondContact O-N 3.26Å; G170-S174 PolarHBondContact O-N 2.88Å; G170-S174 PolarHBondContact O-OG 3.34Å
171C98.1Very high96.7Very high27 Ų2764.4 Ų64.418%0.18234%0.338CS..Hα-helixtrans-60.5-45.9177.3-67.30000112V108 I167 K168 A173 S174 I175V108-C171 HydrophobicContact CB-CB 4.03Å; V108-C171 HydrophobicContact CG1-CB 3.77Å; V108-C171 HydrophobicContact CG2-CB 4.23Å; I167-C171 PolarHBondContact O-N 3.18Å; I167-C171 PolarHBondContact O-SG 3.32Å; I167-C171 VanDerWaalsContact O-SG 3.4Å; K168-C171 PolarHBondContact O-N 3.03Å; C171-A173 VanDerWaalsContact C-N 3.32Å; C171-A173 PolarHBondContact O-N 3.46Å; C171-S174 WeakPolarHBondContact O-CB 3.48Å; C171-S174 PolarHBondContact O-N 2.81Å; C171-I175 WeakPolarHBondContact O-CG1 3.37Å; C171-I175 PolarHBondContact O-N 3.03Å
172R98.3Very high96.6Very high111 Ų11161.8 Ų61.842%0.41932%0.324SS..Hα-helixtrans-62.4-38.5176.9-71.4179.5-176.8122.20.4112.5V108 E111 K168 A169 G170 F176V108-R172 HydrophobicContact CG1-CG 3.96Å; E111-R172 IonicContact OE2-NH2 3.33Å; E111-R172 PolarHBondContact OE2-NH2 3.48Å; K168-R172 WeakPolarHBondContact O-CG 3.46Å; K168-R172 PolarHBondContact O-N 3.31Å; A169-R172 PolarHBondContact O-N 3.19Å; G170-R172 PolarHBondContact O-N 2.98Å; R172-F176 WeakPolarHBondContact O-CB 3.47Å; R172-F176 PolarHBondContact O-N 2.94Å
173A97.8Very high96.6Very high51 Ų5159.5 Ų59.542%0.42131%0.312SS..Hα-helixtrans-65.5-42.4174.300000111.8A169 G170 C171 F176 L177A169-A173 WeakPolarHBondContact O-CB 3.24Å; A169-A173 PolarHBondContact O-N 3.25Å; G170-A173 PolarHBondContact O-N 3.26Å; C171-A173 VanDerWaalsContact C-N 3.32Å; C171-A173 PolarHBondContact O-N 3.46Å; A173-F176 PolarHBondContact O-N 3.06Å; A173-L177 WeakPolarHBondContact O-CG 3.36Å; A173-L177 PolarHBondContact O-N 3.48Å
174S96.8Very high96.6Very high42 Ų4261.1 Ų61.129%0.29432%0.321SS..Hα-helixtrans-61.1-46175.4-64.80000111.8G170 C171 F176 L177 A178G170-S174 PolarHBondContact O-N 2.88Å; G170-S174 PolarHBondContact O-OG 3.34Å; C171-S174 WeakPolarHBondContact O-CB 3.48Å; C171-S174 PolarHBondContact O-N 2.81Å; S174-F176 PolarHBondContact O-N 3.35Å; S174-L177 PolarHBondContact O-N 3.34Å; S174-A178 WeakPolarHBondContact O-CB 3.48Å; S174-A178 PolarHBondContact O-N 3.41Å
175I97Very high96.5Very high33 Ų3364.4 Ų64.417%0.16934%0.338CS..Hα-helixtrans-56.2-52.9174.1-72.2165.4000110.2V19 V108 H112 C171 L177 A178 E179V19-I175 HydrophobicContact CG1-CB 4.41Å; V19-I175 HydrophobicContact CG1-CG1 4.15Å; V19-I175 HydrophobicContact CG1-CG2 4.12Å; V108-I175 HydrophobicContact CG1-CD1 3.67Å; H112-I175 HydrophobicContact CB-CD1 4.14Å; C171-I175 WeakPolarHBondContact O-CG1 3.37Å; C171-I175 PolarHBondContact O-N 3.03Å; I175-L177 PolarHBondContact O-N 3.45Å; I175-A178 PolarHBondContact O-N 3.29Å; I175-A178 VanDerWaalsContact O-N 3.09Å; I175-E179 WeakPolarHBondContact O-CG 3.3Å; I175-E179 PolarHBondContact O-N 2.75Å
176F96.9Very high96.4Very high109 Ų10961 Ų6148%0.47833%0.325SS..Hα-helixtrans-55.7-39-180175.1-90.6000112.9R172 A173 S174 R180R172-F176 WeakPolarHBondContact O-CB 3.47Å; R172-F176 PolarHBondContact O-N 2.94Å; A173-F176 PolarHBondContact O-N 3.06Å; S174-F176 PolarHBondContact O-N 3.35Å; F176-R180 VanDerWaalsContact CD2-NH1 3.29Å; F176-R180 PolarHBondContact O-NH1 3.48Å
177L97Very high96.3Very high68 Ų6857.3 Ų57.336%0.35631%0.306SS..Hα-helixtrans-73.2-42.1176.9-68.7170.4000111.9L75 W79 A173 S174 I175 E179 R180 I181L75-L177 HydrophobicContact CD1-CB 3.78Å; L75-L177 HydrophobicContact CD1-CD1 4.28Å; W79-L177 HydrophobicContact CZ2-CB 4.2Å; A173-L177 WeakPolarHBondContact O-CG 3.36Å; A173-L177 PolarHBondContact O-N 3.48Å; S174-L177 PolarHBondContact O-N 3.34Å; I175-L177 PolarHBondContact O-N 3.45Å; L177-E179 VanDerWaalsContact C-N 3.28Å; L177-E179 PolarHBondContact O-N 3.29Å; L177-R180 PolarHBondContact O-N 3.11Å; L177-I181 HydrophobicContact CD2-CD1 4.06Å; L177-I181 PolarHBondContact O-N 3.27Å
178A94.9Very high96.1Very high2 Ų260.6 Ų60.62%0.01732%0.324CS..Hα-helixtrans-62-32.3177.700000113.8R18 V19 W79 S174 I175 R180R18-A178 VanDerWaalsContact CD-O 3.28Å; R18-A178 WeakPolarHBondContact CD-O 3.19Å; R18-A178 PolarHBondContact NE-O 3.12Å; V19-A178 HydrophobicContact CB-CB 4.33Å; V19-A178 HydrophobicContact CG1-CB 4.3Å; V19-A178 HydrophobicContact CG2-CB 3.88Å; W79-A178 HydrophobicContact CH2-CB 3.22Å; W79-A178 HydrophobicContact CZ2-CB 4.06Å; W79-A178 HydrophobicContact CZ3-CB 3.59Å; S174-A178 WeakPolarHBondContact O-CB 3.48Å; S174-A178 PolarHBondContact O-N 3.41Å; I175-A178 PolarHBondContact O-N 3.29Å; I175-A178 VanDerWaalsContact O-N 3.09Å; A178-R180 PolarHBondContact O-N 2.66Å
179E93.8Very high96Very high43 Ų4361.9 Ų61.920%0.20134%0.335CS..THydrogen-bonded Turntrans-61.5-24.5174.2-71.6-176.4141.800112.6R15 R18 V19 I175 L177R15-E179 HydrophobicContact CG-CB 4.14Å; R15-E179 HydrophobicContact CG-CG 3.88Å; R15-E179 IonicContact NH1-OE1 2.7Å; R15-E179 PolarHBondContact NH1-OE1 2.64Å; R18-E179 PolarHBondContact NH2-O 3.13Å; V19-E179 HydrophobicContact CG2-CB 4.31Å; V19-E179 HydrophobicContact CG2-CG 3.64Å; I175-E179 WeakPolarHBondContact O-CG 3.3Å; I175-E179 PolarHBondContact O-N 2.75Å; L177-E179 VanDerWaalsContact C-N 3.28Å; L177-E179 PolarHBondContact O-N 3.29Å
180R92.1Very high95.7Very high144 Ų14462.2 Ų62.254%0.54332%0.322SS..THydrogen-bonded Turntrans-117.2-25.4-166-68.9168179.8677.3114.7F176 L177 A178F176-R180 VanDerWaalsContact CD2-NH1 3.29Å; F176-R180 PolarHBondContact O-NH1 3.48Å; L177-R180 PolarHBondContact O-N 3.11Å; A178-R180 PolarHBondContact O-N 2.66Å
181I88.2Confident95.5Very high80 Ų8064.5 Ų64.541%0.4132%0.317SS..  trans-123.40-169.1-57.9174.7000110.4T73 L74 L75 L177T73-I181 WeakPolarHBondContact CA-O 3.4Å; T73-I181 WeakPolarHBondContact CB-O 3.33Å; T73-I181 PolarHBondContact OG1-O 3.23Å; L74-I181 HydrophobicContact CB-CG2 4.03Å; L74-I181 PolarHBondContact N-OXT 3.13Å; L75-I181 HydrophobicContact CD1-CB 4.31Å; L75-I181 HydrophobicContact CD1-CD1 4.14Å; L75-I181 HydrophobicContact CD1-CG2 4.28Å; L75-I181 HydrophobicContact CG-CG2 3.99Å; L177-I181 HydrophobicContact CD2-CD1 4.06Å; L177-I181 PolarHBondContact O-N 3.27Å

Retrieved 181 of 181 residues in 39.7 ms (Link to these results)

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