A0A5K4FBI1_SCHMA Loading...

Nad dependent epimerase/dehydratase

AlphaFold DB , UniProt , Accession A0A5K4FBI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.7Very low68.8Low235 Ų23592.4 Ų92.4100%1.15850%0.499SS*.  01170-68.6166.171.200105.6E3M1-E3 PolarHBondContact O-N 3.42Å
2S39.6Very low71.2Confident110 Ų11084.9 Ų84.977%0.76946%0.46SS*.  trans-66.2104.3170.956.10000106.3T4S2-T4 VanDerWaalsContact C-N 3.31Å; S2-T4 PolarHBondContact O-N 3.24Å
3E44.6Very low73.2Confident185 Ų18578.4 Ų78.486%0.86443%0.425SS*.  trans-51.9109.6157.2-74.6175.1172.100104.8M1 Q5M1-E3 PolarHBondContact O-N 3.42Å; E3-Q5 PolarHBondContact O-N 3.12Å
4T47.1Very low74.9Confident113 Ų11372.8 Ų72.869%0.69339%0.394SS*.  trans-62.792173.842.50000105.6S2 T6S2-T4 VanDerWaalsContact C-N 3.31Å; S2-T4 PolarHBondContact O-N 3.24Å; T4-T6 PolarHBondContact O-N 3.49Å; T4-T6 PolarHBondContact O-OG1 3.09Å; T4-T6 VanDerWaalsContact O-OG1 3.05Å
5Q52.7Low76.4Confident183 Ų18367.9 Ų67.986%0.85537%0.368SS*.  trans-53.597.6168.7-156175.216.100104.7E3 S7E3-Q5 PolarHBondContact O-N 3.12Å; Q5-S7 PolarHBondContact O-N 3.36Å; Q5-S7 VanDerWaalsContact O-N 3.11Å
6T61.7Low77.7Confident43 Ų4363.8 Ų63.826%0.26435%0.346SS..  trans-71.3115.6-168.5-35.70000105.5T4T4-T6 PolarHBondContact O-N 3.49Å; T4-T6 PolarHBondContact O-OG1 3.09Å; T4-T6 VanDerWaalsContact O-OG1 3.05Å
7S86.8Confident78.8Confident66 Ų6660.9 Ų60.946%0.46233%0.329SS..  trans-83.8141178.1-174.40000109Q5 L9 Y98Q5-S7 PolarHBondContact O-N 3.36Å; Q5-S7 VanDerWaalsContact O-N 3.11Å; S7-L9 PolarHBondContact O-N 3.1Å; S7-Y98 WeakPolarHBondContact OG-CD1 3.25Å
8L95.8Very high79.8Confident2 Ų257.8 Ų57.81%0.0131%0.313CS..  trans-64.7127.5173.7-71.3-178.8000110.1L76 Y79 V82 L94 Y98 A101L8-L76 HydrophobicContact CD1-CB 4.47Å; L8-L76 HydrophobicContact CD1-CD1 3.75Å; L8-Y79 WeakPolarHBondContact CD2-O 3.44Å; L8-V82 HydrophobicContact CD1-CB 4.33Å; L8-V82 HydrophobicContact CD1-CG1 3.65Å; L8-V82 HydrophobicContact CD2-CB 4.46Å; L8-V82 HydrophobicContact CD2-CG1 4.43Å; L8-L94 HydrophobicContact CD1-CD2 4.01Å; L8-Y98 HydrophobicContact CB-CD1 3.95Å; L8-Y98 HydrophobicContact CB-CD2 4Å; L8-Y98 HydrophobicContact CB-CE1 4.16Å; L8-Y98 HydrophobicContact CB-CE2 4.23Å; L8-Y98 HydrophobicContact CB-CG 3.86Å; L8-Y98 HydrophobicContact CD1-CD2 3.77Å; L8-Y98 HydrophobicContact CD1-CE2 3.52Å; L8-Y98 HydrophobicContact CD1-CG 4.49Å; L8-Y98 HydrophobicContact CG-CD2 4.23Å; L8-Y98 HydrophobicContact CG-CE1 4.3Å; L8-Y98 HydrophobicContact CG-CE2 3.99Å; L8-A101 WeakPolarHBondContact O-CB 3.28Å
9L97.3Very high80.6Confident77 Ų7756.2 Ų56.240%0.40331%0.31SS..  trans-97.3-28.1173.9-58.4-175000111.8S7 Y31 V80 A101 K102S7-L9 PolarHBondContact O-N 3.1Å; L9-Y31 HydrophobicContact CD1-CD1 3.97Å; L9-Y31 HydrophobicContact CD1-CE1 3.65Å; L9-V80 HydrophobicContact CB-CG2 4.12Å; L9-V80 HydrophobicContact CD1-CG2 3.62Å; L9-V80 HydrophobicContact CG-CG2 3.74Å; L9-V80 PolarHBondContact N-O 2.97Å; L9-A101 WeakPolarHBondContact O-CA 3.42Å; L9-K102 PolarHBondContact O-N 3.17Å
10V98.3Very high81.5Confident0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-134.5127.6-176.9-173.40000111.9L27 Y31 V80 A81 V82 K102 V104 L207V10-L27 HydrophobicContact CB-CD1 4.17Å; V10-L27 HydrophobicContact CB-CD2 4.13Å; V10-L27 HydrophobicContact CG1-CD1 3.84Å; V10-L27 HydrophobicContact CG1-CD2 3.98Å; V10-L27 HydrophobicContact CG2-CD2 3.91Å; V10-Y31 HydrophobicContact CG2-CE2 3.81Å; V10-V80 PolarHBondContact N-O 2.83Å; V10-A81 HydrophobicContact CB-CB 3.95Å; V10-A81 VanDerWaalsContact O-CA 3.23Å; V10-A81 WeakPolarHBondContact O-CA 3.34Å; V10-V82 PolarHBondContact O-N 3.47Å; V10-K102 CarbonylContact C-O 3.58Å; V10-K102 WeakPolarHBondContact CA-O 3.34Å; V10-V104 HydrophobicContact CG1-CB 4.39Å; V10-V104 HydrophobicContact CG1-CG2 3.79Å; V10-L207 HydrophobicContact CG2-CD1 4.2Å; V10-L207 HydrophobicContact CG2-CD2 3.6Å
11I98.2Very high82.2Confident2 Ų252 Ų521%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-106.3108.3172.1-60.9161.5000108A13 L94 M95 A101 K102 V103 V104I11-A13 PolarHBondContact O-N 3.35Å; I11-L94 HydrophobicContact CD1-CB 3.66Å; I11-L94 HydrophobicContact CG1-CB 4.08Å; I11-L94 HydrophobicContact CG2-CB 4.31Å; I11-L94 HydrophobicContact CG2-CD1 4.02Å; I11-M95 HydrophobicContact CD1-CG 3.95Å; I11-A101 HydrophobicContact CD1-CB 3.72Å; I11-A101 HydrophobicContact CG1-CB 3.94Å; I11-K102 PolarHBondContact N-O 2.95Å; I11-V103 HydrophobicContact CB-CG2 4.46Å; I11-V103 CarbonylContact O-C 3.56Å; I11-V103 VanDerWaalsContact O-CA 3.3Å; I11-V103 WeakPolarHBondContact O-CA 3.36Å; I11-V104 PolarHBondContact O-N 3.05Å
12G97.8Very high85.2Confident3 Ų341.1 Ų41.13%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-83.5102.7172.600000111G14 V82 V104G12-G14 VanDerWaalsContact C-N 3.32Å; G12-V82 VanDerWaalsContact CA-O 3.3Å; G12-V82 WeakPolarHBondContact CA-O 3.44Å; G12-V82 PolarHBondContact N-O 3.33Å; G12-V104 CarbonylContact C-O 3.55Å; G12-V104 WeakPolarHBondContact CA-O 3.38Å
13A96.7Very high88Confident0 Ų035.9 Ų35.90%020%0.197CC..  trans-90.95.3-177.200000113.9I11 V103 V104 L105 F182I11-A13 PolarHBondContact O-N 3.35Å; A13-V103 HydrophobicContact CB-CG1 3.98Å; A13-V104 PolarHBondContact N-O 2.86Å; A13-L105 HydrophobicContact CB-CD1 4.21Å; A13-F182 HydrophobicContact CB-CD1 4.13Å; A13-F182 HydrophobicContact CB-CE1 3.29Å; A13-F182 HydrophobicContact CB-CZ 3.57Å
14G96.8Very high90.5Very high0 Ų027.7 Ų27.70%016%0.159CC..PPolyproline II helixtrans-64.1143178.600000113.1G12 T20 C88 T106G12-G14 VanDerWaalsContact C-N 3.32Å; G14-T20 WeakPolarHBondContact O-CG2 3.25Å; G14-C88 WeakPolarHBondContact O-CB 3.46Å; G14-T106 WeakPolarHBondContact CA-OG1 3.46Å
15L97.4Very high92.9Very high0 Ų026 Ų260%014%0.142CC..PPolyproline II helixtrans-70.7158.9173.2-69.5169.1000111.3R17 S18 T20 W113 L154 A157 F158 Y175 M179L15-R17 PolarHBondContact O-N 3.1Å; L15-S18 PolarHBondContact N-OG 3.02Å; L15-S18 WeakPolarHBondContact O-CB 3.39Å; L15-S18 PolarHBondContact O-N 3.44Å; L15-S18 VanDerWaalsContact O-N 3.16Å; L15-S18 PolarHBondContact O-OG 3.31Å; L15-T20 WeakPolarHBondContact O-CG2 3.31Å; L15-W113 HydrophobicContact CD1-CZ2 4.45Å; L15-L154 HydrophobicContact CD2-CD2 3.95Å; L15-A157 HydrophobicContact CD2-CB 4.37Å; L15-F158 HydrophobicContact CD1-CE1 3.58Å; L15-F158 HydrophobicContact CD1-CZ 3.85Å; L15-F158 HydrophobicContact CD2-CE1 4.14Å; L15-F158 HydrophobicContact CD2-CZ 4.2Å; L15-Y175 HydrophobicContact CD1-CD2 3.47Å; L15-Y175 VanDerWaalsContact CD1-CD2 3.47Å; L15-Y175 HydrophobicContact CD1-CE2 3.83Å; L15-M179 HydrophobicContact CD1-CE 4.15Å
16P97.3Very high95.1Very high2 Ų217.3 Ų17.31%0.01310%0.101CC..THydrogen-bonded Turntrans-54.7141.6172.321.8-32.1000110.1S18 D84 V85 W113 I121 L154P16-S18 VanDerWaalsContact C-N 3.28Å; P16-S18 PolarHBondContact O-N 2.83Å; P16-D84 WeakPolarHBondContact CA-OD1 3.38Å; P16-D84 WeakPolarHBondContact CB-OD1 3.38Å; P16-V85 HydrophobicContact CB-CG2 4.32Å; P16-V85 HydrophobicContact CG-CG1 4.01Å; P16-V85 HydrophobicContact CG-CG2 4.35Å; P16-W113 PolarHBondContact O-NE1 3.07Å; P16-I121 HydrophobicContact CB-CD1 4.39Å; P16-I121 HydrophobicContact CB-CG1 4.37Å; P16-L154 HydrophobicContact CG-CD2 4Å
17R96.6Very high96.9Very high14 Ų1415.3 Ų15.35%0.0539%0.089CC..THydrogen-bonded Turntrans69.710.9-178.8-44.9-54.4-64150.38.9115.9L15 R108 S116 I121 N221L15-R17 PolarHBondContact O-N 3.1Å; R17-R108 WeakPolarHBondContact O-CD 3.38Å; R17-R108 PolarHBondContact O-NH1 3.01Å; R17-S116 PolarHBondContact NE-OG 3.37Å; R17-S116 PolarHBondContact NH2-OG 3.03Å; R17-S116 VanDerWaalsContact NH2-OG 3.16Å; R17-I121 HydrophobicContact CG-CD1 4.28Å; R17-I121 HydrophobicContact CG-CG1 3.59Å; R17-N221 PolarHBondContact NH1-ND2 2.84Å; R17-N221 VanDerWaalsContact NH1-ND2 3.12Å; R17-N221 PolarHBondContact NH1-O 3.25Å; R17-N221 VanDerWaalsContact NH1-O 3.12Å; R17-N221 PolarHBondContact NH1-OD1 3.39Å; R17-N221 PolarHBondContact NH2-O 2.79Å
18S96.4Very high97.4Very high6 Ų614.8 Ų14.84%0.0428%0.079CC..SBendtrans-93.18.2170.771.70000114.8L15 P16 T106L15-S18 PolarHBondContact N-OG 3.02Å; L15-S18 WeakPolarHBondContact O-CB 3.39Å; L15-S18 PolarHBondContact O-N 3.44Å; L15-S18 VanDerWaalsContact O-N 3.16Å; L15-S18 PolarHBondContact O-OG 3.31Å; P16-S18 VanDerWaalsContact C-N 3.28Å; P16-S18 PolarHBondContact O-N 2.83Å; S18-T106 WeakPolarHBondContact CB-O 3.24Å; S18-T106 WeakPolarHBondContact O-CB 3.34Å; S18-T106 PolarHBondContact OG-O 3.47Å; S18-T106 PolarHBondContact OG-OG1 2.9Å
19G96.3Very high97.5Very high26 Ų2617.2 Ų17.227%0.2689%0.094SC..SBendtrans108.211-178.600000114.5M21 S22 M23G19-M21 VanDerWaalsContact C-N 3.33Å; G19-M21 PolarHBondContact O-N 3.42Å; G19-S22 WeakPolarHBondContact O-CB 3.42Å; G19-S22 PolarHBondContact O-N 3.3Å; G19-M23 PolarHBondContact O-N 2.67Å
20T97.6Very high97.6Very high5 Ų515 Ų153%0.0318%0.082CC..Hα-helixtrans-56.3-37.8-177.949.20000114.3G14 L15 M23 K24 H37 D84G14-T20 WeakPolarHBondContact O-CG2 3.25Å; L15-T20 WeakPolarHBondContact O-CG2 3.31Å; T20-M23 WeakPolarHBondContact O-CB 3.38Å; T20-M23 PolarHBondContact O-N 3.22Å; T20-K24 PolarHBondContact O-N 3Å; T20-H37 VanDerWaalsContact C-NE2 3.3Å; T20-H37 PolarHBondContact OG1-NE2 3.37Å; T20-D84 HydrophobicContact CG2-CB 4.18Å; T20-D84 PolarHBondContact OG1-OD1 2.98Å
21M96.7Very high97.5Very high20 Ų2017.3 Ų17.310%0.0999%0.092CC..Hα-helixtrans-68.9-41.4177.6-17766.375.500112.6G19 M23 K24 K25 H37 Y39 T220 N221G19-M21 VanDerWaalsContact C-N 3.33Å; G19-M21 PolarHBondContact O-N 3.42Å; M21-M23 VanDerWaalsContact C-N 3.27Å; M21-M23 PolarHBondContact O-N 2.95Å; M21-K24 WeakPolarHBondContact O-CB 3.33Å; M21-K24 PolarHBondContact O-N 3.43Å; M21-K24 HydrophobicContact SD-CD 3.79Å; M21-K25 PolarHBondContact O-N 2.95Å; M21-K25 VanDerWaalsContact O-N 3.1Å; M21-H37 VanDerWaalsContact CA-NE2 3.32Å; M21-H37 WeakPolarHBondContact CA-NE2 3.38Å; M21-H37 PolarHBondContact N-NE2 3.29Å; M21-H37 VanDerWaalsContact N-NE2 3.11Å; M21-Y39 HydrophobicContact CE-CD1 4.3Å; M21-Y39 HydrophobicContact CE-CD2 3.95Å; M21-Y39 HydrophobicContact CE-CG 3.61Å; M21-T220 VanDerWaalsContact CG-OG1 3.32Å; M21-T220 WeakPolarHBondContact CG-OG1 3.45Å; M21-N221 HydrophobicContact CB-CB 3.76Å; M21-N221 HydrophobicContact CG-CB 3.85Å
22S97Very high97.4Very high6 Ų622.1 Ų22.14%0.04213%0.125CC..Hα-helixtrans-60.3-42.3172.7-80.70000110.8G19 K25 A26 P218 T220G19-S22 WeakPolarHBondContact O-CB 3.42Å; G19-S22 PolarHBondContact O-N 3.3Å; S22-K25 PolarHBondContact O-N 2.87Å; S22-A26 WeakPolarHBondContact O-CB 3.44Å; S22-A26 PolarHBondContact O-N 3.07Å; S22-P218 WeakPolarHBondContact CB-O 3.35Å; S22-P218 PolarHBondContact OG-O 3.31Å; S22-T220 PolarHBondContact OG-N 3.19Å
23M98.4Very high97.4Very high1 Ų126.4 Ų26.41%0.00514%0.144CC..Hα-helixtrans-61.8-44.3174.9-175.356.760.400112.3G19 T20 M21 K25 A26 L27 T83 V104 T106 H194 L203 Y217G19-M23 PolarHBondContact O-N 2.67Å; T20-M23 WeakPolarHBondContact O-CB 3.38Å; T20-M23 PolarHBondContact O-N 3.22Å; M21-M23 VanDerWaalsContact C-N 3.27Å; M21-M23 PolarHBondContact O-N 2.95Å; M23-K25 PolarHBondContact O-N 3.31Å; M23-A26 WeakPolarHBondContact O-CB 3.47Å; M23-A26 PolarHBondContact O-N 2.78Å; M23-A26 VanDerWaalsContact O-N 3.13Å; M23-L27 HydrophobicContact CG-CD1 3.87Å; M23-L27 HydrophobicContact CG-CG 4.29Å; M23-L27 VanDerWaalsContact O-CG 3.28Å; M23-L27 WeakPolarHBondContact O-CG 3.49Å; M23-L27 PolarHBondContact O-N 3.2Å; M23-L27 HydrophobicContact SD-CD1 4.05Å; M23-L27 HydrophobicContact SD-CD2 4.28Å; M23-L27 HydrophobicContact SD-CG 3.94Å; M23-T83 HydrophobicContact CG-CG2 4.09Å; M23-V104 HydrophobicContact CE-CG1 3.58Å; M23-V104 HydrophobicContact SD-CG1 4.07Å; M23-T106 HydrophobicContact CB-CG2 3.89Å; M23-T106 HydrophobicContact CE-CG2 3.76Å; M23-T106 HydrophobicContact CG-CG2 4.16Å; M23-H194 HydrophobicContact CE-CB 4.3Å; M23-H194 WeakPolarHBondContact CE-CD2 3.4Å; M23-L203 HydrophobicContact CE-CD1 4.17Å; M23-L203 HydrophobicContact CE-CD2 4.16Å; M23-L203 HydrophobicContact SD-CD1 4.07Å; M23-L203 HydrophobicContact SD-CD2 3.96Å; M23-Y217 WeakPolarHBondContact CE-OH 3.45Å
24K98.3Very high97.4Very high12 Ų1228.7 Ų28.75%0.05216%0.16CC..Hα-helixtrans-52.1-54.1173.6-177.7-158-165.7-680111T20 M21 A26 L27 E28 C35 H37 E40T20-K24 PolarHBondContact O-N 3Å; M21-K24 WeakPolarHBondContact O-CB 3.33Å; M21-K24 PolarHBondContact O-N 3.43Å; M21-K24 HydrophobicContact SD-CD 3.79Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 2.92Å; K24-L27 PolarHBondContact O-N 3.13Å; K24-E28 IonicContact NZ-OE1 2.9Å; K24-E28 PolarHBondContact NZ-OE1 3.38Å; K24-E28 IonicContact NZ-OE2 3.77Å; K24-E28 PolarHBondContact NZ-OE2 2.87Å; K24-E28 WeakPolarHBondContact O-CG 3.23Å; K24-E28 PolarHBondContact O-N 3.31Å; K24-C35 HydrophobicContact CB-CB 4.41Å; K24-C35 WeakPolarHBondContact CE-O 3.42Å; K24-C35 HydrophobicContact CG-CB 3.68Å; K24-C35 PolarHBondContact NZ-O 3.5Å; K24-H37 HydrophobicContact CB-CB 4.46Å; K24-H37 HydrophobicContact CD-CB 3.6Å; K24-H37 HydrophobicContact CG-CB 4.09Å; K24-E40 WeakPolarHBondContact CE-OE1 3.34Å; K24-E40 IonicContact NZ-OE1 3.08Å; K24-E40 PolarHBondContact NZ-OE1 2.89Å
25K97.8Very high97.5Very high79 Ų7928.7 Ų28.734%0.34316%0.16SC..Hα-helixtrans-64.5-34.1179.7-65.7-159.6-171.1-170.10112.5M21 S22 M23 T29 P218 T220M21-K25 PolarHBondContact O-N 2.95Å; M21-K25 VanDerWaalsContact O-N 3.1Å; S22-K25 PolarHBondContact O-N 2.87Å; M23-K25 PolarHBondContact O-N 3.31Å; K25-T29 WeakPolarHBondContact O-CB 3.46Å; K25-T29 PolarHBondContact O-N 3.19Å; K25-T29 PolarHBondContact O-OG1 2.82Å; K25-P218 HydrophobicContact CB-CB 3.77Å; K25-P218 HydrophobicContact CB-CG 3.93Å; K25-T220 HydrophobicContact CD-CG2 3.69Å
26A98.5Very high97.5Very high0 Ų028.8 Ų28.80%016%0.16CC..Hα-helixtrans-63.8-48.5176.800000110.5S22 M23 K24 E28 T29 L30 W200 L203 Y217 P218S22-A26 WeakPolarHBondContact O-CB 3.44Å; S22-A26 PolarHBondContact O-N 3.07Å; M23-A26 WeakPolarHBondContact O-CB 3.47Å; M23-A26 PolarHBondContact O-N 2.78Å; M23-A26 VanDerWaalsContact O-N 3.13Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 2.92Å; A26-E28 PolarHBondContact O-N 3.13Å; A26-T29 WeakPolarHBondContact O-CB 3.49Å; A26-T29 PolarHBondContact O-N 2.8Å; A26-L30 WeakPolarHBondContact O-CG 3.44Å; A26-L30 PolarHBondContact O-N 2.91Å; A26-W200 HydrophobicContact CB-CH2 3.79Å; A26-W200 HydrophobicContact CB-CZ3 3.68Å; A26-L203 HydrophobicContact CB-CD2 4.12Å; A26-Y217 HydrophobicContact CB-CE2 3.96Å; A26-P218 HydrophobicContact CB-CG 4.22Å
27L98.5Very high97.5Very high0 Ų028.9 Ų28.90%016%0.16CC..Hα-helixtrans-65.2-39.2178.1-64.3171.9000112.2V10 M23 K24 T29 L30 Y31 C35 A81 T83 L207V10-L27 HydrophobicContact CB-CD1 4.17Å; V10-L27 HydrophobicContact CB-CD2 4.13Å; V10-L27 HydrophobicContact CG1-CD1 3.84Å; V10-L27 HydrophobicContact CG1-CD2 3.98Å; V10-L27 HydrophobicContact CG2-CD2 3.91Å; M23-L27 HydrophobicContact CG-CD1 3.87Å; M23-L27 HydrophobicContact CG-CG 4.29Å; M23-L27 VanDerWaalsContact O-CG 3.28Å; M23-L27 WeakPolarHBondContact O-CG 3.49Å; M23-L27 PolarHBondContact O-N 3.2Å; M23-L27 HydrophobicContact SD-CD1 4.05Å; M23-L27 HydrophobicContact SD-CD2 4.28Å; M23-L27 HydrophobicContact SD-CG 3.94Å; K24-L27 PolarHBondContact O-N 3.13Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 2.84Å; L27-L30 PolarHBondContact O-N 2.8Å; L27-Y31 HydrophobicContact CD2-CD2 4.44Å; L27-Y31 HydrophobicContact CD2-CE2 4.03Å; L27-Y31 WeakPolarHBondContact O-CB 3.37Å; L27-Y31 WeakPolarHBondContact O-CD2 3.39Å; L27-Y31 PolarHBondContact O-N 2.83Å; L27-C35 HydrophobicContact CB-CB 4.46Å; L27-A81 HydrophobicContact CB-CB 4.26Å; L27-A81 HydrophobicContact CD1-CB 3.71Å; L27-T83 HydrophobicContact CD1-CG2 4.15Å; L27-L207 HydrophobicContact CD2-CD1 3.74Å
28E97.8Very high97.5Very high56 Ų5628.4 Ų28.426%0.26216%0.16SC..Hα-helixtrans-63.2-36.4174.1-72.1-179.9152.800112.2K24 A26 S32 Q33 C35K24-E28 IonicContact NZ-OE1 2.9Å; K24-E28 PolarHBondContact NZ-OE1 3.38Å; K24-E28 IonicContact NZ-OE2 3.77Å; K24-E28 PolarHBondContact NZ-OE2 2.87Å; K24-E28 WeakPolarHBondContact O-CG 3.23Å; K24-E28 PolarHBondContact O-N 3.31Å; A26-E28 PolarHBondContact O-N 3.13Å; E28-S32 VanDerWaalsContact O-CA 3.23Å; E28-S32 WeakPolarHBondContact O-CA 3.15Å; E28-S32 PolarHBondContact O-N 3.34Å; E28-Q33 WeakPolarHBondContact CA-O 3.3Å; E28-Q33 WeakPolarHBondContact CG-O 3.5Å; E28-C35 HydrophobicContact CG-CB 3.84Å; E28-C35 PolarHBondContact OE1-N 3.21Å
29T98.1Very high97.3Very high53 Ų5332 Ų3233%0.32517%0.173SC..Hα-helixtrans-68.6-44.7175-57.30000111.3K25 A26 L27 W200 P212 I215K25-T29 WeakPolarHBondContact O-CB 3.46Å; K25-T29 PolarHBondContact O-N 3.19Å; K25-T29 PolarHBondContact O-OG1 2.82Å; A26-T29 WeakPolarHBondContact O-CB 3.49Å; A26-T29 PolarHBondContact O-N 2.8Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 2.84Å; T29-W200 HydrophobicContact CG2-CH2 4.17Å; T29-W200 HydrophobicContact CG2-CZ2 4.39Å; T29-P212 HydrophobicContact CG2-CB 4.32Å; T29-P212 HydrophobicContact CG2-CG 4.09Å; T29-I215 HydrophobicContact CG2-CD1 4.13Å; T29-I215 HydrophobicContact CG2-CG2 4.38Å
30L98.3Very high97.3Very high29 Ų2931.4 Ų31.415%0.15216%0.163CC..Hα-helixtrans-68.5-40.9-177.3-69.3172.9000112.7A26 L27 W200 L203 L207 V209 P212A26-L30 WeakPolarHBondContact O-CG 3.44Å; A26-L30 PolarHBondContact O-N 2.91Å; L27-L30 PolarHBondContact O-N 2.8Å; L30-W200 HydrophobicContact CD1-CE3 4.35Å; L30-W200 HydrophobicContact CD1-CZ3 3.82Å; L30-W200 HydrophobicContact CD2-CE3 4.18Å; L30-W200 HydrophobicContact CD2-CZ3 3.84Å; L30-W200 HydrophobicContact CG-CE3 4.39Å; L30-W200 HydrophobicContact CG-CH2 4.36Å; L30-W200 HydrophobicContact CG-CZ3 3.66Å; L30-L203 HydrophobicContact CD1-CD2 4.04Å; L30-L203 HydrophobicContact CD1-CG 4.28Å; L30-L207 HydrophobicContact CD1-CD1 3.95Å; L30-V209 HydrophobicContact CD1-CG2 4.2Å; L30-V209 HydrophobicContact CD2-CG2 3.93Å; L30-V209 HydrophobicContact CG-CG2 4.47Å; L30-P212 HydrophobicContact CD2-CG 3.63Å
31Y97.1Very high97.2Very high50 Ų5031.1 Ų31.120%0.19616%0.162CC..Hα-helixtrans-101.9-9.7-173.5-67.8-67.8000114.2L9 V10 L27 Q33 V80 L207 V209L9-Y31 HydrophobicContact CD1-CD1 3.97Å; L9-Y31 HydrophobicContact CD1-CE1 3.65Å; V10-Y31 HydrophobicContact CG2-CE2 3.81Å; L27-Y31 HydrophobicContact CD2-CD2 4.44Å; L27-Y31 HydrophobicContact CD2-CE2 4.03Å; L27-Y31 WeakPolarHBondContact O-CB 3.37Å; L27-Y31 WeakPolarHBondContact O-CD2 3.39Å; L27-Y31 PolarHBondContact O-N 2.83Å; Y31-Q33 WeakPolarHBondContact O-CG 3.45Å; Y31-Q33 PolarHBondContact O-N 3.5Å; Y31-Q33 VanDerWaalsContact O-N 3.13Å; Y31-V80 HydrophobicContact CD1-CG2 4.3Å; Y31-V80 HydrophobicContact CD2-CG1 4.2Å; Y31-V80 HydrophobicContact CD2-CG2 4.39Å; Y31-V80 HydrophobicContact CG-CG1 4.19Å; Y31-V80 HydrophobicContact CG-CG2 4.01Å; Y31-L207 HydrophobicContact CE2-CD1 4.2Å; Y31-V209 HydrophobicContact CE1-CG1 4.28Å
32S96.6Very high97Very high103 Ų10332 Ų3272%0.7217%0.168SC*.SBendtrans51.533.6-173.8-59.60000112.9E28E28-S32 VanDerWaalsContact O-CA 3.23Å; E28-S32 WeakPolarHBondContact O-CA 3.15Å; E28-S32 PolarHBondContact O-N 3.34Å
33Q97.2Very high96.6Very high92 Ų9233.8 Ų33.843%0.4318%0.183SC..SBendtrans-143.3150.8-174.7-74.5-72.5-16.400108.6E28 Y31 V80E28-Q33 WeakPolarHBondContact CA-O 3.3Å; E28-Q33 WeakPolarHBondContact CG-O 3.5Å; Y31-Q33 WeakPolarHBondContact O-CG 3.45Å; Y31-Q33 PolarHBondContact O-N 3.5Å; Y31-Q33 VanDerWaalsContact O-N 3.13Å; Q33-V80 HydrophobicContact CB-CB 3.73Å; Q33-V80 HydrophobicContact CB-CG1 3.63Å; Q33-V80 HydrophobicContact CB-CG2 4.46Å
34P97.2Very high96.2Very high49 Ų4942.6 Ų42.632%0.31822%0.216SC..  trans-71.2146-170.130-34.6000112.1G78 Y79 V80P34-G78 WeakPolarHBondContact CG-O 3.34Å; P34-Y79 HydrophobicContact CB-CD1 3.78Å; P34-Y79 HydrophobicContact CB-CE1 3.92Å; P34-Y79 HydrophobicContact CG-CD1 4.02Å; P34-Y79 HydrophobicContact CG-CE1 4.38Å; P34-Y79 WeakPolarHBondContact O-CA 3.22Å; P34-V80 PolarHBondContact O-N 2.75Å
35C97.8Very high96.1Very high0 Ų045.7 Ų45.70%023%0.23CC..EExtended strand (participates in β ladder)trans-110.6125.1171.3177.80000109.6K24 L27 E28 A81K24-C35 HydrophobicContact CB-CB 4.41Å; K24-C35 WeakPolarHBondContact CE-O 3.42Å; K24-C35 HydrophobicContact CG-CB 3.68Å; K24-C35 PolarHBondContact NZ-O 3.5Å; L27-C35 HydrophobicContact CB-CB 4.46Å; E28-C35 HydrophobicContact CG-CB 3.84Å; E28-C35 PolarHBondContact OE1-N 3.21Å; C35-A81 CarbonylContact C-O 3.54Å; C35-A81 WeakPolarHBondContact CA-O 2.78Å; C35-A81 HydrophobicContact CB-CB 4.06Å
36Y98.1Very high96Very high1 Ų146.2 Ų46.20%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-69.3141.9175.3-159.6-74.5000109.1L41 D48 W52 I75 L76 Y79 A81 V82 T83Y36-L41 HydrophobicContact CE1-CG 4.46Å; Y36-L41 VanDerWaalsContact OH-CD2 3.29Å; Y36-L41 WeakPolarHBondContact OH-CD2 3.32Å; Y36-D48 WeakPolarHBondContact OH-CB 3.48Å; Y36-D48 PolarHBondContact OH-OD2 3.38Å; Y36-D48 VanDerWaalsContact OH-OD2 3.09Å; Y36-W52 HydrophobicContact CE1-CZ2 4.17Å; Y36-W52 AromaticContact CE1-NE1 3.6Å; Y36-W52 AromaticContact CZ-NE1 3.54Å; Y36-W52 PolarHBondContact OH-NE1 2.63Å; Y36-W52 VanDerWaalsContact OH-NE1 3.09Å; Y36-I75 HydrophobicContact CE2-CG2 3.83Å; Y36-L76 HydrophobicContact CD1-CD2 4.37Å; Y36-L76 HydrophobicContact CD2-CD2 3.88Å; Y36-L76 HydrophobicContact CG-CD2 3.78Å; Y36-Y79 HydrophobicContact CD2-CD1 4.28Å; Y36-Y79 AromaticContact CD2-CD2 3.8Å; Y36-Y79 HydrophobicContact CD2-CD2 3.8Å; Y36-Y79 AromaticContact CD2-CE1 3.93Å; Y36-Y79 HydrophobicContact CD2-CE1 3.93Å; Y36-Y79 AromaticContact CD2-CE2 3.44Å; Y36-Y79 HydrophobicContact CD2-CE2 3.44Å; Y36-Y79 VanDerWaalsContact CD2-CE2 3.44Å; Y36-Y79 HydrophobicContact CD2-CG 4.2Å; Y36-Y79 AromaticContact CD2-CZ 3.49Å; Y36-Y79 VanDerWaalsContact CD2-CZ 3.49Å; Y36-Y79 HydrophobicContact CE2-CE2 4.06Å; Y36-Y79 HydrophobicContact CG-CE1 4.35Å; Y36-Y79 HydrophobicContact CG-CE2 4.49Å; Y36-A81 PolarHBondContact N-O 2.86Å; Y36-V82 HydrophobicContact CD1-CG2 4.45Å; Y36-V82 CarbonylContact O-C 3.57Å; Y36-V82 WeakPolarHBondContact O-CA 3.45Å; Y36-T83 PolarHBondContact O-N 3.14Å; Y36-T83 PolarHBondContact O-OG1 3.08Å; Y36-T83 VanDerWaalsContact O-OG1 3.07Å
37H97.9Very high95.8Very high4 Ų450.6 Ų50.62%0.01926%0.263CS..  trans-153.3157.7179.3-173-69000108.9T20 M21 K24 Y39 E40 T83 D84T20-H37 VanDerWaalsContact C-NE2 3.3Å; T20-H37 PolarHBondContact OG1-NE2 3.37Å; M21-H37 VanDerWaalsContact CA-NE2 3.32Å; M21-H37 WeakPolarHBondContact CA-NE2 3.38Å; M21-H37 PolarHBondContact N-NE2 3.29Å; M21-H37 VanDerWaalsContact N-NE2 3.11Å; K24-H37 HydrophobicContact CB-CB 4.46Å; K24-H37 HydrophobicContact CD-CB 3.6Å; K24-H37 HydrophobicContact CG-CB 4.09Å; H37-Y39 PolarHBondContact ND1-N 3.13Å; H37-Y39 PolarHBondContact O-N 3.43Å; H37-E40 WeakPolarHBondContact O-CB 3.07Å; H37-E40 PolarHBondContact O-N 2.85Å; H37-T83 WeakPolarHBondContact CA-O 3.49Å; H37-T83 PolarHBondContact CD2-OG1 3.16Å; H37-D84 IonicContact CE1-OD2 2.69Å; H37-D84 PolarHBondContact CE1-OD2 3.16Å; H37-D84 IonicContact ND1-OD2 2.68Å; H37-D84 PolarHBondContact ND1-OD2 3.37Å; H37-D84 VanDerWaalsContact ND1-OD2 3.11Å; H37-D84 IonicContact NE2-OD2 2.79Å
38G95.7Very high95.8Very high5 Ų550.9 Ų50.95%0.05227%0.265CS..Hα-helixtrans-53.5-17.9171.400000115.1L41 V85G38-L41 WeakPolarHBondContact O-CB 3.35Å; G38-L41 PolarHBondContact O-N 2.88Å; G38-V85 WeakPolarHBondContact CA-O 3.43Å; G38-V85 PolarHBondContact N-O 2.92Å
39Y93.5Very high95.8Very high82 Ų8248.6 Ų48.632%0.32225%0.254SS..Hα-helixtrans-71-32.3173.1173.9-100.4000112.6M21 H37 L41 V42 A43M21-Y39 HydrophobicContact CE-CD1 4.3Å; M21-Y39 HydrophobicContact CE-CD2 3.95Å; M21-Y39 HydrophobicContact CE-CG 3.61Å; H37-Y39 PolarHBondContact ND1-N 3.13Å; H37-Y39 PolarHBondContact O-N 3.43Å; Y39-L41 PolarHBondContact O-N 3.1Å; Y39-V42 PolarHBondContact O-N 3.41Å; Y39-A43 HydrophobicContact CD1-CB 4.13Å; Y39-A43 HydrophobicContact CE1-CB 3.59Å; Y39-A43 HydrophobicContact CE2-CB 4.11Å; Y39-A43 WeakPolarHBondContact O-CB 3.49Å; Y39-A43 PolarHBondContact O-N 3.26Å
40E95.2Very high95.7Very high12 Ų1249.2 Ų49.26%0.05626%0.264CS..Hα-helixtrans-61.1-36.6176.9-60-56.8134.900110.3K24 H37 V42 A43 R44 K45K24-E40 WeakPolarHBondContact CE-OE1 3.34Å; K24-E40 IonicContact NZ-OE1 3.08Å; K24-E40 PolarHBondContact NZ-OE1 2.89Å; H37-E40 WeakPolarHBondContact O-CB 3.07Å; H37-E40 PolarHBondContact O-N 2.85Å; E40-V42 PolarHBondContact O-N 3.41Å; E40-A43 PolarHBondContact O-N 2.62Å; E40-R44 PolarHBondContact O-N 2.88Å; E40-R44 IonicContact OE2-NE 3.23Å; E40-K45 HydrophobicContact CB-CB 4.36Å; E40-K45 HydrophobicContact CB-CG 4.11Å; E40-K45 WeakPolarHBondContact O-CA 3.44Å; E40-K45 WeakPolarHBondContact O-CB 3.28Å; E40-K45 PolarHBondContact O-N 3.35Å
41L96.3Very high95.7Very high0 Ų052.2 Ų52.20%028%0.276CS..Hα-helixtrans-61.8-30.1175.9-64.5173.1000113.1Y36 G38 Y39 Q46 D48 I49 P86 M146 L149Y36-L41 HydrophobicContact CE1-CG 4.46Å; Y36-L41 VanDerWaalsContact OH-CD2 3.29Å; Y36-L41 WeakPolarHBondContact OH-CD2 3.32Å; G38-L41 WeakPolarHBondContact O-CB 3.35Å; G38-L41 PolarHBondContact O-N 2.88Å; Y39-L41 PolarHBondContact O-N 3.1Å; L41-Q46 VanDerWaalsContact O-CA 3.28Å; L41-Q46 WeakPolarHBondContact O-CA 3.49Å; L41-Q46 WeakPolarHBondContact O-CG 3.49Å; L41-Q46 PolarHBondContact O-N 3.13Å; L41-D48 HydrophobicContact CD2-CB 3.77Å; L41-I49 HydrophobicContact CB-CG1 4.15Å; L41-I49 HydrophobicContact CD2-CG1 4Å; L41-P86 HydrophobicContact CD1-CG 4.39Å; L41-M146 HydrophobicContact CB-CE 4.36Å; L41-M146 HydrophobicContact CB-SD 4.15Å; L41-M146 HydrophobicContact CD1-CE 4.11Å; L41-M146 HydrophobicContact CD1-SD 4.1Å; L41-L149 HydrophobicContact CD1-CD2 3.79Å
42V91.3Very high95.7Very high38 Ų3849.9 Ų49.923%0.2327%0.267CS..Hα-helixtrans-84.5-46.2176.5177.40000110.7Y39 E40 Q46 V142Y39-V42 PolarHBondContact O-N 3.41Å; E40-V42 PolarHBondContact O-N 3.41Å; V42-Q46 PolarHBondContact O-NE2 3.46Å; V42-V142 HydrophobicContact CG1-CG2 3.86Å; V42-V142 HydrophobicContact CG2-CG1 4.48Å; V42-V142 HydrophobicContact CG2-CG2 4.48Å
43A89.4Confident95.8Very high44 Ų4446 Ų4636%0.36424%0.238SC..Hα-helixtrans-87.2-32.8-16600000114.8Y39 E40Y39-A43 HydrophobicContact CD1-CB 4.13Å; Y39-A43 HydrophobicContact CE1-CB 3.59Å; Y39-A43 HydrophobicContact CE2-CB 4.11Å; Y39-A43 WeakPolarHBondContact O-CB 3.49Å; Y39-A43 PolarHBondContact O-N 3.26Å; E40-A43 PolarHBondContact O-N 2.62Å
44R91Very high95.7Very high185 Ų18545.3 Ų45.370%0.69824%0.24SC*.THydrogen-bonded Turntrans-146.2-22.2-166.2-54.4-179.1-153.2-123.40.6115.3E40E40-R44 PolarHBondContact O-N 2.88Å; E40-R44 IonicContact OE2-NE 3.23Å
45K95Very high95.7Very high78 Ų7843.1 Ų43.134%0.33923%0.225SC..  trans-127.436.1-166.7-61-66.5-172.1167.90111.9E40 C47 D48 Y79E40-K45 HydrophobicContact CB-CB 4.36Å; E40-K45 HydrophobicContact CB-CG 4.11Å; E40-K45 WeakPolarHBondContact O-CA 3.44Å; E40-K45 WeakPolarHBondContact O-CB 3.28Å; E40-K45 PolarHBondContact O-N 3.35Å; K45-C47 PolarHBondContact O-N 3.29Å; K45-C47 VanDerWaalsContact O-N 3.1Å; K45-D48 HydrophobicContact CB-CB 4.4Å; K45-D48 WeakPolarHBondContact O-CB 3.49Å; K45-D48 PolarHBondContact O-N 3.02Å; K45-Y79 WeakPolarHBondContact CE-OH 3.33Å
46Q95.2Very high95.7Very high90 Ų9043.1 Ų43.142%0.42123%0.225SC..THydrogen-bonded Turntrans-55.3-30.3177.7-69.1-17813.400112.6L41 V42 D48 I49 G141 P143L41-Q46 VanDerWaalsContact O-CA 3.28Å; L41-Q46 WeakPolarHBondContact O-CA 3.49Å; L41-Q46 WeakPolarHBondContact O-CG 3.49Å; L41-Q46 PolarHBondContact O-N 3.13Å; V42-Q46 PolarHBondContact O-NE2 3.46Å; Q46-D48 PolarHBondContact O-N 3.01Å; Q46-I49 HydrophobicContact CB-CD1 4.38Å; Q46-I49 WeakPolarHBondContact O-CB 3.21Å; Q46-I49 VanDerWaalsContact O-CG1 3.28Å; Q46-I49 WeakPolarHBondContact O-CG1 3.4Å; Q46-I49 PolarHBondContact O-N 3.1Å; Q46-I49 VanDerWaalsContact O-N 3.16Å; Q46-G141 PolarHBondContact NE2-O 3.44Å; Q46-P143 HydrophobicContact CB-CG 4.3Å; Q46-P143 HydrophobicContact CG-CG 3.9Å
47C95.3Very high95.5Very high91 Ų9145.8 Ų45.862%0.61524%0.24SC*.THydrogen-bonded Turntrans-65.5-19.717561.20000114.4K45 I49K45-C47 PolarHBondContact O-N 3.29Å; K45-C47 VanDerWaalsContact O-N 3.1Å; C47-I49 VanDerWaalsContact C-N 3.32Å
48D97.4Very high95.4Very high7 Ų747.4 Ų47.44%0.03725%0.247CC..Hα-helixtrans-80-14.1176.2-67.3-20.2000112.3Y36 L41 K45 Q46 A50 K51 W52Y36-D48 WeakPolarHBondContact OH-CB 3.48Å; Y36-D48 PolarHBondContact OH-OD2 3.38Å; Y36-D48 VanDerWaalsContact OH-OD2 3.09Å; L41-D48 HydrophobicContact CD2-CB 3.77Å; K45-D48 HydrophobicContact CB-CB 4.4Å; K45-D48 WeakPolarHBondContact O-CB 3.49Å; K45-D48 PolarHBondContact O-N 3.02Å; Q46-D48 PolarHBondContact O-N 3.01Å; D48-A50 VanDerWaalsContact C-N 3.3Å; D48-A50 PolarHBondContact O-N 3.34Å; D48-K51 WeakPolarHBondContact O-CB 3.3Å; D48-K51 PolarHBondContact O-N 2.94Å; D48-K51 VanDerWaalsContact O-N 3.07Å; D48-K51 IonicContact OD1-NZ 2.63Å; D48-K51 PolarHBondContact OD1-NZ 3.18Å; D48-W52 VanDerWaalsContact O-CD1 3.26Å; D48-W52 PolarHBondContact O-N 3.3Å
49I98Very high95.3Very high7 Ų748 Ų484%0.03625%0.25CS..Hα-helixtrans-55.2-47.2178.5-65.6171.7000110.4L41 Q46 C47 K51 W52 Q53 P143 E145 M146 L149L41-I49 HydrophobicContact CB-CG1 4.15Å; L41-I49 HydrophobicContact CD2-CG1 4Å; Q46-I49 HydrophobicContact CB-CD1 4.38Å; Q46-I49 WeakPolarHBondContact O-CB 3.21Å; Q46-I49 VanDerWaalsContact O-CG1 3.28Å; Q46-I49 WeakPolarHBondContact O-CG1 3.4Å; Q46-I49 PolarHBondContact O-N 3.1Å; Q46-I49 VanDerWaalsContact O-N 3.16Å; C47-I49 VanDerWaalsContact C-N 3.32Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 2.8Å; I49-W52 PolarHBondContact O-N 2.98Å; I49-Q53 WeakPolarHBondContact O-CB 3.44Å; I49-Q53 PolarHBondContact O-N 3.02Å; I49-P143 HydrophobicContact CD1-CB 4.06Å; I49-P143 HydrophobicContact CD1-CG 3.79Å; I49-E145 HydrophobicContact CG2-CB 3.8Å; I49-M146 HydrophobicContact CD1-CB 4.42Å; I49-L149 HydrophobicContact CB-CD2 4.44Å; I49-L149 HydrophobicContact CG2-CB 4.4Å; I49-L149 HydrophobicContact CG2-CD2 4.05Å
50A97Very high95.2Very high66 Ų6649.3 Ų49.355%0.54525%0.254SS..Hα-helixtrans-64-38.8178.300000112.3D48 Q53 T54D48-A50 VanDerWaalsContact C-N 3.3Å; D48-A50 PolarHBondContact O-N 3.34Å; A50-Q53 PolarHBondContact O-N 3.05Å; A50-T54 PolarHBondContact O-N 2.75Å; A50-T54 PolarHBondContact O-OG1 2.74Å; A50-T54 VanDerWaalsContact O-OG1 3.1Å
51K96.9Very high95.1Very high93 Ų9353.9 Ų53.940%0.40428%0.283SS..Hα-helixtrans-66.1-43.1178.9-57.5178.2-171.8160.60111.5D48 I49 T54 L55 I75D48-K51 WeakPolarHBondContact O-CB 3.3Å; D48-K51 PolarHBondContact O-N 2.94Å; D48-K51 VanDerWaalsContact O-N 3.07Å; D48-K51 IonicContact OD1-NZ 2.63Å; D48-K51 PolarHBondContact OD1-NZ 3.18Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 2.8Å; K51-T54 PolarHBondContact O-N 3.11Å; K51-L55 PolarHBondContact O-N 2.92Å; K51-I75 HydrophobicContact CB-CD1 3.78Å; K51-I75 HydrophobicContact CB-CG1 4.17Å; K51-I75 HydrophobicContact CD-CG1 4.03Å
52W98.1Very high94.7Very high0 Ų058 Ų580%031%0.308CS..Hα-helixtrans-66.1-38.4175.2-79.8116.2000112.3Y36 D48 I49 T54 L55 V56 L72 I75 L76 P86 F90 L149Y36-W52 HydrophobicContact CE1-CZ2 4.17Å; Y36-W52 AromaticContact CE1-NE1 3.6Å; Y36-W52 AromaticContact CZ-NE1 3.54Å; Y36-W52 PolarHBondContact OH-NE1 2.63Å; Y36-W52 VanDerWaalsContact OH-NE1 3.09Å; D48-W52 VanDerWaalsContact O-CD1 3.26Å; D48-W52 PolarHBondContact O-N 3.3Å; I49-W52 PolarHBondContact O-N 2.98Å; W52-T54 VanDerWaalsContact C-N 3.35Å; W52-L55 HydrophobicContact CD2-CD1 4.34Å; W52-L55 HydrophobicContact CE3-CB 4.47Å; W52-L55 HydrophobicContact CE3-CD1 3.66Å; W52-L55 HydrophobicContact CZ3-CD1 3.92Å; W52-L55 WeakPolarHBondContact O-CB 3.33Å; W52-L55 PolarHBondContact O-N 3.01Å; W52-V56 WeakPolarHBondContact O-CG2 3.46Å; W52-V56 PolarHBondContact O-N 2.92Å; W52-L72 HydrophobicContact CH2-CD2 3.67Å; W52-L72 HydrophobicContact CZ3-CD2 3.51Å; W52-I75 HydrophobicContact CD2-CD1 3.91Å; W52-I75 HydrophobicContact CE3-CD1 4.39Å; W52-I75 HydrophobicContact CG-CD1 4.16Å; W52-I75 HydrophobicContact CZ2-CD1 4.45Å; W52-I75 HydrophobicContact CZ2-CG2 3.69Å; W52-L76 HydrophobicContact CZ2-CD2 4.27Å; W52-P86 HydrophobicContact CB-CB 4.47Å; W52-P86 HydrophobicContact CB-CG 3.77Å; W52-P86 HydrophobicContact CD2-CB 4.24Å; W52-P86 HydrophobicContact CD2-CG 3.13Å; W52-P86 HydrophobicContact CE3-CB 4.09Å; W52-P86 HydrophobicContact CE3-CG 3.4Å; W52-P86 VanDerWaalsContact CE3-CG 3.4Å; W52-P86 HydrophobicContact CG-CB 4.44Å; W52-P86 HydrophobicContact CG-CG 3.33Å; W52-P86 HydrophobicContact CH2-CG 4.37Å; W52-P86 HydrophobicContact CZ2-CG 4.16Å; W52-P86 HydrophobicContact CZ3-CG 4.01Å; W52-F90 HydrophobicContact CE3-CD2 4.26Å; W52-F90 AromaticContact CE3-CE2 3.9Å; W52-F90 HydrophobicContact CE3-CE2 3.9Å; W52-F90 HydrophobicContact CE3-CZ 4.4Å; W52-F90 AromaticContact CZ3-CD2 3.72Å; W52-F90 HydrophobicContact CZ3-CD2 3.72Å; W52-F90 AromaticContact CZ3-CE2 3.84Å; W52-F90 HydrophobicContact CZ3-CE2 3.84Å; W52-F90 HydrophobicContact CZ3-CG 4.32Å; W52-L149 HydrophobicContact CB-CD1 3.79Å; W52-L149 HydrophobicContact CB-CD2 3.86Å
53Q97.8Very high94.6Very high22 Ų2261.4 Ų61.410%0.10332%0.322CS..Hα-helixtrans-61.9-44.4174.1-174.464.563.300111.2I49 A50 L55 V56 D57 K148 D152I49-Q53 WeakPolarHBondContact O-CB 3.44Å; I49-Q53 PolarHBondContact O-N 3.02Å; A50-Q53 PolarHBondContact O-N 3.05Å; Q53-L55 VanDerWaalsContact C-N 3.29Å; Q53-L55 PolarHBondContact O-N 2.81Å; Q53-V56 PolarHBondContact O-N 2.86Å; Q53-V56 VanDerWaalsContact O-N 3.16Å; Q53-D57 PolarHBondContact NE2-OD1 3.22Å; Q53-D57 VanDerWaalsContact O-CG 3.24Å; Q53-D57 PolarHBondContact O-N 2.87Å; Q53-K148 VanDerWaalsContact CD-NZ 3.3Å; Q53-D152 PolarHBondContact NE2-OD2 3.25Å
54T95.7Very high94.7Very high78 Ų7861.5 Ų61.548%0.47932%0.319SS..Hα-helixtrans-57.8-41.5173.2-59.40000111.8A50 K51 W52 D57 E58A50-T54 PolarHBondContact O-N 2.75Å; A50-T54 PolarHBondContact O-OG1 2.74Å; A50-T54 VanDerWaalsContact O-OG1 3.1Å; K51-T54 PolarHBondContact O-N 3.11Å; W52-T54 VanDerWaalsContact C-N 3.35Å; T54-D57 PolarHBondContact O-N 3.43Å; T54-E58 WeakPolarHBondContact O-CB 3.32Å; T54-E58 PolarHBondContact O-N 3.19Å
55L97.1Very high94.8Very high2 Ų258 Ų581%0.0131%0.311CS..Hα-helixtrans-61.4-43.7174.7-86.9171.4000112.8K51 W52 Q53 D57 E58 V59 I68 C71 L72 I75 F90K51-L55 PolarHBondContact O-N 2.92Å; W52-L55 HydrophobicContact CD2-CD1 4.34Å; W52-L55 HydrophobicContact CE3-CB 4.47Å; W52-L55 HydrophobicContact CE3-CD1 3.66Å; W52-L55 HydrophobicContact CZ3-CD1 3.92Å; W52-L55 WeakPolarHBondContact O-CB 3.33Å; W52-L55 PolarHBondContact O-N 3.01Å; Q53-L55 VanDerWaalsContact C-N 3.29Å; Q53-L55 PolarHBondContact O-N 2.81Å; L55-D57 VanDerWaalsContact C-N 3.34Å; L55-E58 PolarHBondContact O-N 2.73Å; L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 3.04Å; L55-I68 HydrophobicContact CD2-CB 4.31Å; L55-I68 HydrophobicContact CD2-CG1 4.43Å; L55-I68 HydrophobicContact CD2-CG2 4.07Å; L55-C71 HydrophobicContact CD1-CB 4.01Å; L55-C71 HydrophobicContact CD2-CB 3.47Å; L55-C71 VanDerWaalsContact CD2-CB 3.47Å; L55-C71 HydrophobicContact CG-CB 3.73Å; L55-L72 HydrophobicContact CD1-CD2 3.82Å; L55-L72 HydrophobicContact CD1-CG 4.09Å; L55-L72 HydrophobicContact CD2-CG 4.27Å; L55-I75 HydrophobicContact CD1-CD1 3.51Å; L55-F90 HydrophobicContact CB-CE1 3.9Å; L55-F90 HydrophobicContact CB-CZ 3.83Å
56V97.4Very high94.6Very high0 Ų062.2 Ų62.20%033%0.332CS..Hα-helixtrans-62.5-44.5176.7173.70000110.4W52 Q53 V59 R60 F90 L149 D152 L156W52-V56 WeakPolarHBondContact O-CG2 3.46Å; W52-V56 PolarHBondContact O-N 2.92Å; Q53-V56 PolarHBondContact O-N 2.86Å; Q53-V56 VanDerWaalsContact O-N 3.16Å; V56-V59 PolarHBondContact O-N 2.92Å; V56-R60 WeakPolarHBondContact O-CB 3.3Å; V56-R60 VanDerWaalsContact O-CG 3.3Å; V56-R60 WeakPolarHBondContact O-CG 3.23Å; V56-R60 PolarHBondContact O-N 2.92Å; V56-R60 VanDerWaalsContact O-N 3.12Å; V56-F90 HydrophobicContact CB-CZ 4.4Å; V56-F90 HydrophobicContact CG2-CE2 3.97Å; V56-F90 HydrophobicContact CG2-CZ 3.63Å; V56-L149 HydrophobicContact CG2-CD1 4.22Å; V56-D152 HydrophobicContact CG1-CB 3.72Å; V56-L156 HydrophobicContact CG1-CD2 4.28Å; V56-L156 HydrophobicContact CG2-CD2 4.45Å
57D95.4Very high94.5Very high58 Ų5859.9 Ų59.931%0.3132%0.324SS..Hα-helixtrans-66.2-39.6179.4-62.9-22.5000111.6Q53 T54 L55 R60 T61Q53-D57 PolarHBondContact NE2-OD1 3.22Å; Q53-D57 VanDerWaalsContact O-CG 3.24Å; Q53-D57 PolarHBondContact O-N 2.87Å; T54-D57 PolarHBondContact O-N 3.43Å; L55-D57 VanDerWaalsContact C-N 3.34Å; D57-R60 PolarHBondContact O-N 3.19Å; D57-T61 WeakPolarHBondContact O-CB 3.49Å; D57-T61 WeakPolarHBondContact O-CG2 3.28Å; D57-T61 PolarHBondContact O-N 3.3Å; D57-T61 VanDerWaalsContact O-N 3.11Å; D57-T61 PolarHBondContact O-OG1 3.41Å
58E95.1Very high94.5Very high37 Ų3755.6 Ų55.617%0.17330%0.295CS..Hα-helixtrans-62.7-47.9176.4-169.473.2-162.400111.2T54 L55 R60 T61 T62 H63 C64 T67 I68T54-E58 WeakPolarHBondContact O-CB 3.32Å; T54-E58 PolarHBondContact O-N 3.19Å; L55-E58 PolarHBondContact O-N 2.73Å; E58-R60 VanDerWaalsContact C-N 3.27Å; E58-R60 PolarHBondContact O-N 3.07Å; E58-T61 PolarHBondContact O-N 2.7Å; E58-T62 WeakPolarHBondContact CG-OG1 3.43Å; E58-T62 PolarHBondContact O-N 3.18Å; E58-T62 PolarHBondContact O-OG1 3.3Å; E58-T62 PolarHBondContact OE1-OG1 2.83Å; E58-H63 PolarHBondContact O-N 3.11Å; E58-C64 WeakPolarHBondContact OE1-CB 3.35Å; E58-T67 HydrophobicContact CG-CG2 4.01Å; E58-I68 HydrophobicContact CB-CG1 4.46Å; E58-I68 HydrophobicContact CG-CD1 4.47Å; E58-I68 HydrophobicContact CG-CG1 3.95Å
59V94.2Very high94.3Very high19 Ų1957.3 Ų57.312%0.11530%0.302CS..Hα-helixtrans-61.6-36.4177.8170.70000111.7L55 V56 I68 F90 L156L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 3.04Å; V56-V59 PolarHBondContact O-N 2.92Å; V59-I68 HydrophobicContact CG2-CD1 3.58Å; V59-I68 HydrophobicContact CG2-CG1 3.97Å; V59-I68 HydrophobicContact CG2-CG2 4.48Å; V59-F90 HydrophobicContact CB-CE1 4.43Å; V59-F90 HydrophobicContact CG2-CD1 4.02Å; V59-F90 HydrophobicContact CG2-CE1 3.6Å; V59-L156 HydrophobicContact CB-CD2 4.26Å; V59-L156 HydrophobicContact CG1-CD1 3.73Å; V59-L156 HydrophobicContact CG1-CD2 4.01Å; V59-L156 HydrophobicContact CG1-CG 4.49Å
60R90.9Very high94Very high108 Ų10863 Ų6341%0.40832%0.324SS..Hα-helixtrans-76.6-19.6-179.6-72.8-179.672.3-137.1-5.4114.1V56 D57 E58 L156 D161V56-R60 WeakPolarHBondContact O-CB 3.3Å; V56-R60 VanDerWaalsContact O-CG 3.3Å; V56-R60 WeakPolarHBondContact O-CG 3.23Å; V56-R60 PolarHBondContact O-N 2.92Å; V56-R60 VanDerWaalsContact O-N 3.12Å; D57-R60 PolarHBondContact O-N 3.19Å; E58-R60 VanDerWaalsContact C-N 3.27Å; E58-R60 PolarHBondContact O-N 3.07Å; R60-L156 HydrophobicContact CG-CD1 4.28Å; R60-D161 IonicContact CZ-OD1 2.61Å; R60-D161 IonicContact CZ-OD2 3.62Å; R60-D161 IonicContact NE-OD1 3.66Å; R60-D161 PolarHBondContact NE-OD1 3.2Å; R60-D161 IonicContact NE-OD2 2.66Å; R60-D161 IonicContact NH2-OD1 2.92Å; R60-D161 PolarHBondContact NH2-OD1 2.88Å; R60-D161 IonicContact NH2-OD2 3.11Å; R60-D161 PolarHBondContact NH2-OD2 2.83Å
61T91.8Very high93.9Very high108 Ų10860.9 Ų60.966%0.66330%0.304SS*.Hα-helixtrans-116-64.8-170.756.40000113.1D57 E58D57-T61 WeakPolarHBondContact O-CB 3.49Å; D57-T61 WeakPolarHBondContact O-CG2 3.28Å; D57-T61 PolarHBondContact O-N 3.3Å; D57-T61 VanDerWaalsContact O-N 3.11Å; D57-T61 PolarHBondContact O-OG1 3.41Å; E58-T61 PolarHBondContact O-N 2.7Å
62T89.3Confident93.9Very high86 Ų8656.4 Ų56.453%0.52829%0.285SS..THydrogen-bonded Turntrans-99.3-30-171.457.70000112.4E58 C64E58-T62 WeakPolarHBondContact CG-OG1 3.43Å; E58-T62 PolarHBondContact O-N 3.18Å; E58-T62 PolarHBondContact O-OG1 3.3Å; E58-T62 PolarHBondContact OE1-OG1 2.83Å; T62-C64 PolarHBondContact O-N 2.85Å; T62-C64 PolarHBondContact OG1-N 3.04Å
63H88.6Confident93.6Very high110 Ų11058.5 Ų58.551%0.50930%0.299SS..  trans50.936.4-171.5-153.575.9000113E58 E65 E93E58-H63 PolarHBondContact O-N 3.11Å; H63-E65 PolarHBondContact O-N 3.27Å; H63-E93 IonicContact CE1-OE1 2.9Å
64C92.3Very high93.4Very high46 Ų4662.3 Ų62.331%0.31132%0.317SS..  trans-68.9102.2179.9-175.70000110.6E58 T62 E66 T67 I68E58-C64 WeakPolarHBondContact OE1-CB 3.35Å; T62-C64 PolarHBondContact O-N 2.85Å; T62-C64 PolarHBondContact OG1-N 3.04Å; C64-E66 VanDerWaalsContact C-N 3.3Å; C64-E66 PolarHBondContact O-N 3.38Å; C64-T67 PolarHBondContact O-N 3.02Å; C64-T67 VanDerWaalsContact O-N 3.12Å; C64-T67 PolarHBondContact SG-OG1 3.16Å; C64-T67 VanDerWaalsContact SG-OG1 3.39Å; C64-I68 WeakPolarHBondContact O-CG1 3.23Å; C64-I68 PolarHBondContact O-N 3.21Å
65E91.8Very high93.4Very high113 Ų11359 Ų5953%0.52830%0.296SS..Hα-helixtrans-55.2-43.5-176-170.5176.4170.500112.2H63 T67 I68 H69H63-E65 PolarHBondContact O-N 3.27Å; E65-T67 PolarHBondContact O-N 2.74Å; E65-I68 PolarHBondContact O-N 2.9Å; E65-H69 WeakPolarHBondContact CG-CE1 3.32Å; E65-H69 WeakPolarHBondContact CG-NE2 3.44Å; E65-H69 VanDerWaalsContact O-CB 3.23Å; E65-H69 WeakPolarHBondContact O-CB 3.32Å; E65-H69 PolarHBondContact O-CD2 3.05Å; E65-H69 VanDerWaalsContact O-CD2 3.25Å; E65-H69 PolarHBondContact O-N 2.96Å; E65-H69 IonicContact OE1-CE1 2.85Å; E65-H69 PolarHBondContact OE1-CE1 3.36Å; E65-H69 IonicContact OE1-ND1 2.55Å; E65-H69 IonicContact OE1-NE2 3.61Å
66E92.3Very high93.3Very high166 Ų16659 Ų5978%0.77630%0.296SS*.Hα-helixtrans-60.8-44.5178.2-65.2178.5174.900112.3C64 R70C64-E66 VanDerWaalsContact C-N 3.3Å; C64-E66 PolarHBondContact O-N 3.38Å; E66-R70 VanDerWaalsContact O-CB 3.29Å; E66-R70 WeakPolarHBondContact O-CB 3.41Å; E66-R70 PolarHBondContact O-N 3.15Å
67T92.6Very high93.2Very high40 Ų4063.6 Ų63.625%0.24532%0.324CS..Hα-helixtrans-64.9-47.1177.3-61.30000110.8E58 C64 E65 R70 C71E58-T67 HydrophobicContact CG-CG2 4.01Å; C64-T67 PolarHBondContact O-N 3.02Å; C64-T67 VanDerWaalsContact O-N 3.12Å; C64-T67 PolarHBondContact SG-OG1 3.16Å; C64-T67 VanDerWaalsContact SG-OG1 3.39Å; E65-T67 PolarHBondContact O-N 2.74Å; T67-R70 PolarHBondContact O-N 3.39Å; T67-C71 WeakPolarHBondContact O-CB 3.43Å; T67-C71 PolarHBondContact O-N 3.3Å; T67-C71 PolarHBondContact O-SG 2.97Å; T67-C71 VanDerWaalsContact O-SG 3.37Å
68I94.2Very high93.1Very high2 Ų262 Ų621%0.0132%0.322CS..Hα-helixtrans-62.4-47.2-179.2-66.1159.5000110.4L55 E58 V59 C64 E65 R70 C71 L72 E93L55-I68 HydrophobicContact CD2-CB 4.31Å; L55-I68 HydrophobicContact CD2-CG1 4.43Å; L55-I68 HydrophobicContact CD2-CG2 4.07Å; E58-I68 HydrophobicContact CB-CG1 4.46Å; E58-I68 HydrophobicContact CG-CD1 4.47Å; E58-I68 HydrophobicContact CG-CG1 3.95Å; V59-I68 HydrophobicContact CG2-CD1 3.58Å; V59-I68 HydrophobicContact CG2-CG1 3.97Å; V59-I68 HydrophobicContact CG2-CG2 4.48Å; C64-I68 WeakPolarHBondContact O-CG1 3.23Å; C64-I68 PolarHBondContact O-N 3.21Å; E65-I68 PolarHBondContact O-N 2.9Å; I68-R70 PolarHBondContact O-N 3.39Å; I68-C71 PolarHBondContact O-N 3.3Å; I68-L72 HydrophobicContact CG2-CD1 3.7Å; I68-L72 HydrophobicContact CG2-CG 4.31Å; I68-L72 WeakPolarHBondContact O-CB 3.33Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.28Å; I68-E93 HydrophobicContact CG2-CB 4.08Å; I68-E93 HydrophobicContact CG2-CG 3.88Å
69H93.3Very high93.2Very high43 Ų4361.2 Ų61.220%0.19932%0.317CS..Hα-helixtrans-61.8-44.8-180-74.6-162.8000112E65 S73 I97E65-H69 WeakPolarHBondContact CG-CE1 3.32Å; E65-H69 WeakPolarHBondContact CG-NE2 3.44Å; E65-H69 VanDerWaalsContact O-CB 3.23Å; E65-H69 WeakPolarHBondContact O-CB 3.32Å; E65-H69 PolarHBondContact O-CD2 3.05Å; E65-H69 VanDerWaalsContact O-CD2 3.25Å; E65-H69 PolarHBondContact O-N 2.96Å; E65-H69 IonicContact OE1-CE1 2.85Å; E65-H69 PolarHBondContact OE1-CE1 3.36Å; E65-H69 IonicContact OE1-ND1 2.55Å; E65-H69 IonicContact OE1-NE2 3.61Å; H69-S73 VanDerWaalsContact O-CB 3.28Å; H69-S73 WeakPolarHBondContact O-CB 3.47Å; H69-S73 PolarHBondContact O-N 3.06Å; H69-S73 PolarHBondContact O-OG 3.41Å; H69-I97 HydrophobicContact CB-CD1 4.13Å; H69-I97 HydrophobicContact CB-CG1 4.1Å
70R92.9Very high93.4Very high127 Ų12760.6 Ų60.648%0.47931%0.314SS..Hα-helixtrans-62.3-50.3177-174.6-17757.467.67.2111.3E66 T67 I68 S73 E74E66-R70 VanDerWaalsContact O-CB 3.29Å; E66-R70 WeakPolarHBondContact O-CB 3.41Å; E66-R70 PolarHBondContact O-N 3.15Å; T67-R70 PolarHBondContact O-N 3.39Å; I68-R70 PolarHBondContact O-N 3.39Å; R70-S73 PolarHBondContact O-N 3.35Å; R70-E74 VanDerWaalsContact CG-OE1 3.31Å; R70-E74 WeakPolarHBondContact CG-OE1 3.13Å; R70-E74 IonicContact CZ-OE1 2.78Å; R70-E74 VanDerWaalsContact NH1-CD 3.35Å; R70-E74 IonicContact NH1-OE1 2.96Å; R70-E74 PolarHBondContact NH1-OE1 3.4Å; R70-E74 IonicContact NH1-OE2 3.3Å; R70-E74 PolarHBondContact NH1-OE2 3.09Å; R70-E74 WeakPolarHBondContact O-CB 3.04Å; R70-E74 WeakPolarHBondContact O-CG 3.1Å; R70-E74 PolarHBondContact O-N 3.01Å
71C94.6Very high93.8Very high20 Ų2055.4 Ų55.414%0.13529%0.294CS..Hα-helixtrans-63.4-43.2-178.8-74.30000112.5L55 T67 I68 E74 I75L55-C71 HydrophobicContact CD1-CB 4.01Å; L55-C71 HydrophobicContact CD2-CB 3.47Å; L55-C71 VanDerWaalsContact CD2-CB 3.47Å; L55-C71 HydrophobicContact CG-CB 3.73Å; T67-C71 WeakPolarHBondContact O-CB 3.43Å; T67-C71 PolarHBondContact O-N 3.3Å; T67-C71 PolarHBondContact O-SG 2.97Å; T67-C71 VanDerWaalsContact O-SG 3.37Å; I68-C71 PolarHBondContact O-N 3.3Å; C71-E74 PolarHBondContact O-N 3.04Å; C71-I75 VanDerWaalsContact O-CG1 3.3Å; C71-I75 WeakPolarHBondContact O-CG1 3.42Å; C71-I75 PolarHBondContact O-N 3.33Å
72L96Very high94.1Very high0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-61.6-45.2175.3-75.8171.7000111.3W52 L55 I68 E74 I75 L76 F90 E93 L94 I97W52-L72 HydrophobicContact CH2-CD2 3.67Å; W52-L72 HydrophobicContact CZ3-CD2 3.51Å; L55-L72 HydrophobicContact CD1-CD2 3.82Å; L55-L72 HydrophobicContact CD1-CG 4.09Å; L55-L72 HydrophobicContact CD2-CG 4.27Å; I68-L72 HydrophobicContact CG2-CD1 3.7Å; I68-L72 HydrophobicContact CG2-CG 4.31Å; I68-L72 WeakPolarHBondContact O-CB 3.33Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.28Å; L72-E74 VanDerWaalsContact C-N 3.32Å; L72-E74 PolarHBondContact O-N 3.44Å; L72-I75 PolarHBondContact O-N 3.15Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 2.94Å; L72-L76 VanDerWaalsContact O-N 3.1Å; L72-F90 HydrophobicContact CD1-CB 4.47Å; L72-F90 HydrophobicContact CD2-CB 4.35Å; L72-F90 HydrophobicContact CD2-CG 4.38Å; L72-E93 HydrophobicContact CD1-CB 3.77Å; L72-L94 HydrophobicContact CD1-CD2 4.28Å; L72-L94 HydrophobicContact CD1-CG 4.48Å; L72-L94 HydrophobicContact CD2-CD2 4.26Å; L72-I97 HydrophobicContact CB-CD1 3.92Å; L72-I97 HydrophobicContact CD1-CD1 3.67Å; L72-I97 HydrophobicContact CG-CD1 4.45Å
73S91.8Very high94.5Very high44 Ų4446.3 Ų46.331%0.30824%0.238SC..Hα-helixtrans-62.6-38.6178.9-59.50000112.2H69 R70 V77H69-S73 VanDerWaalsContact O-CB 3.28Å; H69-S73 WeakPolarHBondContact O-CB 3.47Å; H69-S73 PolarHBondContact O-N 3.06Å; H69-S73 PolarHBondContact O-OG 3.41Å; R70-S73 PolarHBondContact O-N 3.35Å; S73-V77 WeakPolarHBondContact O-CG2 3.46Å; S73-V77 PolarHBondContact O-N 2.87Å
74E93.3Very high94.9Very high102 Ų10241.7 Ų41.748%0.47722%0.217SC..Hα-helixtrans-68.6-41.2177.7-76.8171.7-168.700113R70 C71 L72 L76R70-E74 VanDerWaalsContact CG-OE1 3.31Å; R70-E74 WeakPolarHBondContact CG-OE1 3.13Å; R70-E74 IonicContact CZ-OE1 2.78Å; R70-E74 VanDerWaalsContact NH1-CD 3.35Å; R70-E74 IonicContact NH1-OE1 2.96Å; R70-E74 PolarHBondContact NH1-OE1 3.4Å; R70-E74 IonicContact NH1-OE2 3.3Å; R70-E74 PolarHBondContact NH1-OE2 3.09Å; R70-E74 WeakPolarHBondContact O-CB 3.04Å; R70-E74 WeakPolarHBondContact O-CG 3.1Å; R70-E74 PolarHBondContact O-N 3.01Å; C71-E74 PolarHBondContact O-N 3.04Å; L72-E74 VanDerWaalsContact C-N 3.32Å; L72-E74 PolarHBondContact O-N 3.44Å; E74-L76 VanDerWaalsContact C-N 3.35Å
75I96Very high95.2Very high8 Ų839.8 Ų39.84%0.04120%0.204CC..Hα-helixtrans-68.5-37.9179.4-68.1169000111.1Y36 K51 W52 L55 C71 L72Y36-I75 HydrophobicContact CE2-CG2 3.83Å; K51-I75 HydrophobicContact CB-CD1 3.78Å; K51-I75 HydrophobicContact CB-CG1 4.17Å; K51-I75 HydrophobicContact CD-CG1 4.03Å; W52-I75 HydrophobicContact CD2-CD1 3.91Å; W52-I75 HydrophobicContact CE3-CD1 4.39Å; W52-I75 HydrophobicContact CG-CD1 4.16Å; W52-I75 HydrophobicContact CZ2-CD1 4.45Å; W52-I75 HydrophobicContact CZ2-CG2 3.69Å; L55-I75 HydrophobicContact CD1-CD1 3.51Å; C71-I75 VanDerWaalsContact O-CG1 3.3Å; C71-I75 WeakPolarHBondContact O-CG1 3.42Å; C71-I75 PolarHBondContact O-N 3.33Å; L72-I75 PolarHBondContact O-N 3.15Å
76L96.4Very high95.5Very high1 Ų134.5 Ų34.51%0.00518%0.18CC..THydrogen-bonded Turntrans-95.28.5-169.3-59.8170.4000113.4L8 Y36 W52 L72 E74 G78 Y79 V82 L94L8-L76 HydrophobicContact CD1-CB 4.47Å; L8-L76 HydrophobicContact CD1-CD1 3.75Å; Y36-L76 HydrophobicContact CD1-CD2 4.37Å; Y36-L76 HydrophobicContact CD2-CD2 3.88Å; Y36-L76 HydrophobicContact CG-CD2 3.78Å; W52-L76 HydrophobicContact CZ2-CD2 4.27Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 2.94Å; L72-L76 VanDerWaalsContact O-N 3.1Å; E74-L76 VanDerWaalsContact C-N 3.35Å; L76-G78 PolarHBondContact O-N 2.66Å; L76-Y79 PolarHBondContact O-N 3.49Å; L76-Y79 VanDerWaalsContact O-N 3.16Å; L76-V82 HydrophobicContact CD2-CB 4.12Å; L76-V82 HydrophobicContact CD2-CG2 3.83Å; L76-L94 HydrophobicContact CD1-CD2 3.56Å
77V94.1Very high95.7Very high97 Ų9726.7 Ų26.759%0.58814%0.143SC*.THydrogen-bonded Turntrans-54.5128.1173.6177.90000110.7S73 Y79S73-V77 WeakPolarHBondContact O-CG2 3.46Å; S73-V77 PolarHBondContact O-N 2.87Å; V77-Y79 VanDerWaalsContact C-N 3.32Å; V77-Y79 WeakPolarHBondContact O-CD2 3.11Å
78G94.6Very high95.9Very high26 Ų2624.8 Ų24.827%0.26813%0.132SC..THydrogen-bonded Turntrans85-0.117600000114.6P34 L76P34-G78 WeakPolarHBondContact CG-O 3.34Å; L76-G78 PolarHBondContact O-N 2.66Å
79Y97Very high96Very high19 Ų1925.2 Ų25.28%0.07514%0.136CC..  trans-98.1140.1175.2-66.3-88.1000111L8 P34 Y36 K45 L76 V77L8-Y79 WeakPolarHBondContact CD2-O 3.44Å; P34-Y79 HydrophobicContact CB-CD1 3.78Å; P34-Y79 HydrophobicContact CB-CE1 3.92Å; P34-Y79 HydrophobicContact CG-CD1 4.02Å; P34-Y79 HydrophobicContact CG-CE1 4.38Å; P34-Y79 WeakPolarHBondContact O-CA 3.22Å; Y36-Y79 HydrophobicContact CD2-CD1 4.28Å; Y36-Y79 AromaticContact CD2-CD2 3.8Å; Y36-Y79 HydrophobicContact CD2-CD2 3.8Å; Y36-Y79 AromaticContact CD2-CE1 3.93Å; Y36-Y79 HydrophobicContact CD2-CE1 3.93Å; Y36-Y79 AromaticContact CD2-CE2 3.44Å; Y36-Y79 HydrophobicContact CD2-CE2 3.44Å; Y36-Y79 VanDerWaalsContact CD2-CE2 3.44Å; Y36-Y79 HydrophobicContact CD2-CG 4.2Å; Y36-Y79 AromaticContact CD2-CZ 3.49Å; Y36-Y79 VanDerWaalsContact CD2-CZ 3.49Å; Y36-Y79 HydrophobicContact CE2-CE2 4.06Å; Y36-Y79 HydrophobicContact CG-CE1 4.35Å; Y36-Y79 HydrophobicContact CG-CE2 4.49Å; K45-Y79 WeakPolarHBondContact CE-OH 3.33Å; L76-Y79 PolarHBondContact O-N 3.49Å; L76-Y79 VanDerWaalsContact O-N 3.16Å; V77-Y79 VanDerWaalsContact C-N 3.32Å; V77-Y79 WeakPolarHBondContact O-CD2 3.11Å
80V97.6Very high96.1Very high6 Ų623.1 Ų23.14%0.03613%0.126CC..SBendtrans-89.9-20.4174.8730000112L9 V10 Y31 Q33 P34L9-V80 HydrophobicContact CB-CG2 4.12Å; L9-V80 HydrophobicContact CD1-CG2 3.62Å; L9-V80 HydrophobicContact CG-CG2 3.74Å; L9-V80 PolarHBondContact N-O 2.97Å; V10-V80 PolarHBondContact N-O 2.83Å; Y31-V80 HydrophobicContact CD1-CG2 4.3Å; Y31-V80 HydrophobicContact CD2-CG1 4.2Å; Y31-V80 HydrophobicContact CD2-CG2 4.39Å; Y31-V80 HydrophobicContact CG-CG1 4.19Å; Y31-V80 HydrophobicContact CG-CG2 4.01Å; Q33-V80 HydrophobicContact CB-CB 3.73Å; Q33-V80 HydrophobicContact CB-CG1 3.63Å; Q33-V80 HydrophobicContact CB-CG2 4.46Å; P34-V80 PolarHBondContact O-N 2.75Å
81A98.4Very high96.2Very high0 Ų017.9 Ų17.90%011%0.106CC..EExtended strand (participates in β ladder)trans-149.6162.4-178.100000111V10 L27 C35 Y36V10-A81 HydrophobicContact CB-CB 3.95Å; V10-A81 VanDerWaalsContact O-CA 3.23Å; V10-A81 WeakPolarHBondContact O-CA 3.34Å; L27-A81 HydrophobicContact CB-CB 4.26Å; L27-A81 HydrophobicContact CD1-CB 3.71Å; C35-A81 CarbonylContact C-O 3.54Å; C35-A81 WeakPolarHBondContact CA-O 2.78Å; C35-A81 HydrophobicContact CB-CB 4.06Å; Y36-A81 PolarHBondContact N-O 2.86Å
82V98.6Very high96.1Very high0 Ų022.3 Ų22.30%012%0.123CC..EExtended strand (participates in β ladder)trans-140.6140.9177.660.50000109.4L8 V10 G12 Y36 L76 S87 L94L8-V82 HydrophobicContact CD1-CB 4.33Å; L8-V82 HydrophobicContact CD1-CG1 3.65Å; L8-V82 HydrophobicContact CD2-CB 4.46Å; L8-V82 HydrophobicContact CD2-CG1 4.43Å; V10-V82 PolarHBondContact O-N 3.47Å; G12-V82 VanDerWaalsContact CA-O 3.3Å; G12-V82 WeakPolarHBondContact CA-O 3.44Å; G12-V82 PolarHBondContact N-O 3.33Å; Y36-V82 HydrophobicContact CD1-CG2 4.45Å; Y36-V82 CarbonylContact O-C 3.57Å; Y36-V82 WeakPolarHBondContact O-CA 3.45Å; L76-V82 HydrophobicContact CD2-CB 4.12Å; L76-V82 HydrophobicContact CD2-CG2 3.83Å; V82-S87 WeakPolarHBondContact CG2-OG 3.33Å; V82-L94 HydrophobicContact CG1-CD1 3.91Å
83T98.3Very high96.1Very high2 Ų223.4 Ų23.41%0.01213%0.128CC..  trans-146.3164.6-176.455.10000110.6M23 L27 Y36 H37 S87M23-T83 HydrophobicContact CG-CG2 4.09Å; L27-T83 HydrophobicContact CD1-CG2 4.15Å; Y36-T83 PolarHBondContact O-N 3.14Å; Y36-T83 PolarHBondContact O-OG1 3.08Å; Y36-T83 VanDerWaalsContact O-OG1 3.07Å; H37-T83 WeakPolarHBondContact CA-O 3.49Å; H37-T83 PolarHBondContact CD2-OG1 3.16Å; T83-S87 VanDerWaalsContact C-OG 3.26Å; T83-S87 PolarHBondContact O-OG 2.82Å
84D98Very high96.3Very high13 Ų1321.3 Ų21.37%0.0711%0.114CC..SBendtrans69.7-176.2170.3-159.530.3000114.7P16 T20 H37 S87 C88P16-D84 WeakPolarHBondContact CA-OD1 3.38Å; P16-D84 WeakPolarHBondContact CB-OD1 3.38Å; T20-D84 HydrophobicContact CG2-CB 4.18Å; T20-D84 PolarHBondContact OG1-OD1 2.98Å; H37-D84 IonicContact CE1-OD2 2.69Å; H37-D84 PolarHBondContact CE1-OD2 3.16Å; H37-D84 IonicContact ND1-OD2 2.68Å; H37-D84 PolarHBondContact ND1-OD2 3.37Å; H37-D84 VanDerWaalsContact ND1-OD2 3.11Å; H37-D84 IonicContact NE2-OD2 2.79Å; D84-S87 PolarHBondContact O-N 2.96Å; D84-S87 PolarHBondContact O-OG 3.46Å; D84-C88 PolarHBondContact O-N 2.86Å
85V97.3Very high96.3Very high7 Ų717.8 Ų17.84%0.04210%0.098CC..THydrogen-bonded Turntrans-63146.4166.2-80.50000111.5P16 G38 V150 L154P16-V85 HydrophobicContact CB-CG2 4.32Å; P16-V85 HydrophobicContact CG-CG1 4.01Å; P16-V85 HydrophobicContact CG-CG2 4.35Å; G38-V85 WeakPolarHBondContact CA-O 3.43Å; G38-V85 PolarHBondContact N-O 2.92Å; V85-V150 HydrophobicContact CG2-CG2 4.34Å; V85-L154 HydrophobicContact CG1-CD2 4.23Å; V85-L154 HydrophobicContact CG1-CG 4.39Å
86P97.4Very high96.2Very high1 Ų120.6 Ų20.61%0.00612%0.118CC..THydrogen-bonded Turncis-83.6-11.3-4.733.6-37.6000113.3L41 W52 C88 A89 F90 L149 S153L41-P86 HydrophobicContact CD1-CG 4.39Å; W52-P86 HydrophobicContact CB-CB 4.47Å; W52-P86 HydrophobicContact CB-CG 3.77Å; W52-P86 HydrophobicContact CD2-CB 4.24Å; W52-P86 HydrophobicContact CD2-CG 3.13Å; W52-P86 HydrophobicContact CE3-CB 4.09Å; W52-P86 HydrophobicContact CE3-CG 3.4Å; W52-P86 VanDerWaalsContact CE3-CG 3.4Å; W52-P86 HydrophobicContact CG-CB 4.44Å; W52-P86 HydrophobicContact CG-CG 3.33Å; W52-P86 HydrophobicContact CH2-CG 4.37Å; W52-P86 HydrophobicContact CZ2-CG 4.16Å; W52-P86 HydrophobicContact CZ3-CG 4.01Å; P86-C88 VanDerWaalsContact C-N 3.25Å; P86-C88 PolarHBondContact O-N 3.39Å; P86-C88 VanDerWaalsContact O-N 3.11Å; P86-A89 WeakPolarHBondContact O-CB 3.26Å; P86-A89 PolarHBondContact O-N 3.22Å; P86-F90 HydrophobicContact CB-CE2 4.36Å; P86-F90 WeakPolarHBondContact O-CD2 3.27Å; P86-L149 HydrophobicContact CB-CD1 4.04Å; P86-L149 HydrophobicContact CB-CG 4.35Å; P86-L149 HydrophobicContact CG-CD1 4.47Å; P86-L149 HydrophobicContact CG-CD2 4.35Å; P86-S153 WeakPolarHBondContact CB-OG 3.32Å
87S97.2Very high96.1Very high2 Ų222.4 Ų22.41%0.01413%0.127CC..G310 helixtrans-58.2-28.2-170.470.80000115.8V82 T83 D84 A89 F90V82-S87 WeakPolarHBondContact CG2-OG 3.33Å; T83-S87 VanDerWaalsContact C-OG 3.26Å; T83-S87 PolarHBondContact O-OG 2.82Å; D84-S87 PolarHBondContact O-N 2.96Å; D84-S87 PolarHBondContact O-OG 3.46Å; S87-A89 PolarHBondContact O-N 2.97Å; S87-A89 VanDerWaalsContact O-N 3.11Å; S87-F90 PolarHBondContact O-N 3.48Å
88C96.4Very high96.1Very high0 Ų018.9 Ų18.90%010%0.104CC..G310 helixtrans-58-25.2176.363.60000112.9G14 D84 P86 F90G14-C88 WeakPolarHBondContact O-CB 3.46Å; D84-C88 PolarHBondContact O-N 2.86Å; P86-C88 VanDerWaalsContact C-N 3.25Å; P86-C88 PolarHBondContact O-N 3.39Å; P86-C88 VanDerWaalsContact O-N 3.11Å; C88-F90 VanDerWaalsContact C-N 3.32Å
89A96.4Very high96Very high11 Ų1121.4 Ų21.49%0.09112%0.115CC..G310 helixtrans-77.5-15176.600000113.8P86 S87 S153 L156 A157P86-A89 WeakPolarHBondContact O-CB 3.26Å; P86-A89 PolarHBondContact O-N 3.22Å; S87-A89 PolarHBondContact O-N 2.97Å; S87-A89 VanDerWaalsContact O-N 3.11Å; A89-S153 WeakPolarHBondContact CB-O 3.25Å; A89-L156 HydrophobicContact CB-CB 4.17Å; A89-L156 HydrophobicContact CB-CD2 3.87Å; A89-L156 HydrophobicContact CB-CG 3.98Å; A89-A157 HydrophobicContact CB-CB 4.02Å
90F96.3Very high95.9Very high0 Ų028 Ų280%015%0.152CC..G310 helixtrans-114.321.5-171.9-60-91.4000113W52 L55 V56 V59 L72 P86 S87 C88 K92 E93 L94 L156W52-F90 HydrophobicContact CE3-CD2 4.26Å; W52-F90 AromaticContact CE3-CE2 3.9Å; W52-F90 HydrophobicContact CE3-CE2 3.9Å; W52-F90 HydrophobicContact CE3-CZ 4.4Å; W52-F90 AromaticContact CZ3-CD2 3.72Å; W52-F90 HydrophobicContact CZ3-CD2 3.72Å; W52-F90 AromaticContact CZ3-CE2 3.84Å; W52-F90 HydrophobicContact CZ3-CE2 3.84Å; W52-F90 HydrophobicContact CZ3-CG 4.32Å; L55-F90 HydrophobicContact CB-CE1 3.9Å; L55-F90 HydrophobicContact CB-CZ 3.83Å; V56-F90 HydrophobicContact CB-CZ 4.4Å; V56-F90 HydrophobicContact CG2-CE2 3.97Å; V56-F90 HydrophobicContact CG2-CZ 3.63Å; V59-F90 HydrophobicContact CB-CE1 4.43Å; V59-F90 HydrophobicContact CG2-CD1 4.02Å; V59-F90 HydrophobicContact CG2-CE1 3.6Å; L72-F90 HydrophobicContact CD1-CB 4.47Å; L72-F90 HydrophobicContact CD2-CB 4.35Å; L72-F90 HydrophobicContact CD2-CG 4.38Å; P86-F90 HydrophobicContact CB-CE2 4.36Å; P86-F90 WeakPolarHBondContact O-CD2 3.27Å; S87-F90 PolarHBondContact O-N 3.48Å; C88-F90 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3.11Å; F90-E93 VanDerWaalsContact C-OE2 3.25Å; F90-E93 VanDerWaalsContact CA-OE2 3.26Å; F90-E93 WeakPolarHBondContact CA-OE2 3.47Å; F90-E93 PolarHBondContact O-N 3.25Å; F90-L94 HydrophobicContact CB-CD1 4.44Å; F90-L94 HydrophobicContact CB-CG 4.45Å; F90-L94 WeakPolarHBondContact O-CB 3.13Å; F90-L94 VanDerWaalsContact O-CG 3.24Å; F90-L94 WeakPolarHBondContact O-CG 3.49Å; F90-L94 PolarHBondContact O-N 3.39Å; F90-L156 HydrophobicContact CE1-CD2 4.28Å; F90-L156 HydrophobicContact CE2-CD2 4.46Å; F90-L156 HydrophobicContact CZ-CD2 4.06Å
91Y94.4Very high95.8Very high16 Ų1627.8 Ų27.86%0.06315%0.15CC..Hα-helixtrans-61-31.8-173.576.2-86.9000112.5M95 F182 I186Y91-M95 HydrophobicContact CD2-SD 3.99Å; Y91-M95 VanDerWaalsContact O-CB 3.31Å; Y91-M95 WeakPolarHBondContact O-CB 3.4Å; Y91-M95 WeakPolarHBondContact O-CG 3.38Å; Y91-M95 PolarHBondContact O-N 3.06Å; Y91-F182 AromaticContact CD1-CE1 3.8Å; Y91-F182 HydrophobicContact CD1-CE1 3.8Å; Y91-F182 HydrophobicContact CD1-CE2 4.38Å; Y91-F182 AromaticContact CD1-CZ 3.37Å; Y91-F182 HydrophobicContact CD1-CZ 3.37Å; Y91-F182 HydrophobicContact CD2-CD1 4.41Å; Y91-F182 AromaticContact CD2-CE1 3.51Å; Y91-F182 HydrophobicContact CD2-CE1 3.51Å; Y91-F182 HydrophobicContact CD2-CZ 4Å; Y91-F182 HydrophobicContact CE1-CE1 4.02Å; Y91-F182 HydrophobicContact CE1-CE2 4.2Å; Y91-F182 AromaticContact CE1-CZ 3.52Å; Y91-F182 HydrophobicContact CE1-CZ 3.52Å; Y91-F182 HydrophobicContact CE2-CD1 4.35Å; Y91-F182 AromaticContact CE2-CE1 3.74Å; Y91-F182 HydrophobicContact CE2-CE1 3.74Å; Y91-F182 HydrophobicContact CE2-CZ 4.12Å; Y91-F182 AromaticContact CG-CE1 3.53Å; Y91-F182 HydrophobicContact CG-CE1 3.53Å; Y91-F182 AromaticContact CG-CZ 3.61Å; Y91-F182 HydrophobicContact CG-CZ 3.61Å; Y91-F182 AromaticContact CZ-CE1 3.97Å; Y91-F182 AromaticContact CZ-CZ 3.89Å; Y91-I186 HydrophobicContact CD2-CD1 3.87Å; Y91-I186 HydrophobicContact CE2-CD1 3.89Å; Y91-I186 HydrophobicContact CE2-CG1 4.3Å
92K93Very high95.8Very high113 Ų11330.5 Ų30.549%0.49116%0.162SC..Hα-helixtrans-69.4-47.1-179.9-64.5-179.9-177.61740110.9F90 M95 S96F90-K92 PolarHBondContact O-N 3.11Å; K92-M95 PolarHBondContact O-N 3.39Å; K92-S96 PolarHBondContact O-N 3.06Å
93E94.9Very high95.7Very high23 Ų2330.5 Ų30.511%0.10716%0.162CC..Hα-helixtrans-64.8-45.1178.4-62.578-173.400109.8H63 I68 L72 F90 M95 S96 I97H63-E93 IonicContact CE1-OE1 2.9Å; I68-E93 HydrophobicContact CG2-CB 4.08Å; I68-E93 HydrophobicContact CG2-CG 3.88Å; L72-E93 HydrophobicContact CD1-CB 3.77Å; F90-E93 VanDerWaalsContact C-OE2 3.25Å; F90-E93 VanDerWaalsContact CA-OE2 3.26Å; F90-E93 WeakPolarHBondContact CA-OE2 3.47Å; F90-E93 PolarHBondContact O-N 3.25Å; E93-M95 VanDerWaalsContact C-N 3.32Å; E93-M95 PolarHBondContact O-N 3.06Å; E93-S96 WeakPolarHBondContact O-CB 3.48Å; E93-S96 PolarHBondContact O-N 2.91Å; E93-S96 VanDerWaalsContact O-N 3.11Å; E93-I97 WeakPolarHBondContact O-CD1 3.13Å; E93-I97 VanDerWaalsContact O-CG1 3.26Å; E93-I97 WeakPolarHBondContact O-CG1 3.37Å; E93-I97 PolarHBondContact O-N 2.91Å
94L95.9Very high95.7Very high0 Ų030.4 Ų30.40%016%0.162CC..Hα-helixtrans-60.5-39.6173.6-69.6170.3000112.2L8 I11 L72 L76 V82 F90 S96 I97 Y98L8-L94 HydrophobicContact CD1-CD2 4.01Å; I11-L94 HydrophobicContact CD1-CB 3.66Å; I11-L94 HydrophobicContact CG1-CB 4.08Å; I11-L94 HydrophobicContact CG2-CB 4.31Å; I11-L94 HydrophobicContact CG2-CD1 4.02Å; L72-L94 HydrophobicContact CD1-CD2 4.28Å; L72-L94 HydrophobicContact CD1-CG 4.48Å; L72-L94 HydrophobicContact CD2-CD2 4.26Å; L76-L94 HydrophobicContact CD1-CD2 3.56Å; V82-L94 HydrophobicContact CG1-CD1 3.91Å; F90-L94 HydrophobicContact CB-CD1 4.44Å; F90-L94 HydrophobicContact CB-CG 4.45Å; F90-L94 WeakPolarHBondContact O-CB 3.13Å; F90-L94 VanDerWaalsContact O-CG 3.24Å; F90-L94 WeakPolarHBondContact O-CG 3.49Å; F90-L94 PolarHBondContact O-N 3.39Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.12Å; L94-I97 PolarHBondContact O-N 3.29Å; L94-Y98 HydrophobicContact CD2-CD2 4.26Å; L94-Y98 HydrophobicContact CD2-CE2 4.03Å; L94-Y98 WeakPolarHBondContact O-CB 3.31Å; L94-Y98 WeakPolarHBondContact O-CD2 3.37Å; L94-Y98 PolarHBondContact O-N 2.95Å
95M94.4Very high95.7Very high28 Ų2829.9 Ų29.914%0.13816%0.159CC..Hα-helixtrans-68-29.8175.6-77.5173.470.600113.2I11 Y91 K92 E93 Y98 P99 V103 I186I11-M95 HydrophobicContact CD1-CG 3.95Å; Y91-M95 HydrophobicContact CD2-SD 3.99Å; Y91-M95 VanDerWaalsContact O-CB 3.31Å; Y91-M95 WeakPolarHBondContact O-CB 3.4Å; Y91-M95 WeakPolarHBondContact O-CG 3.38Å; Y91-M95 PolarHBondContact O-N 3.06Å; K92-M95 PolarHBondContact O-N 3.39Å; E93-M95 VanDerWaalsContact C-N 3.32Å; E93-M95 PolarHBondContact O-N 3.06Å; M95-Y98 CarbonylContact O-C 3.52Å; M95-P99 WeakPolarHBondContact O-CA 3.48Å; M95-V103 HydrophobicContact CE-CG2 4.37Å; M95-V103 HydrophobicContact CG-CG2 3.89Å; M95-V103 HydrophobicContact SD-CG2 3.79Å; M95-I186 HydrophobicContact CE-CD1 4.37Å; M95-I186 HydrophobicContact CE-CG1 4.39Å; M95-I186 HydrophobicContact CE-CG2 3.91Å; M95-I186 HydrophobicContact SD-CD1 3.76Å; M95-I186 HydrophobicContact SD-CG1 4.29Å
96S93Very high95.7Very high67 Ų6729.8 Ų29.847%0.46916%0.158SC..Hα-helixtrans-69.4-48.4174-171.10000110.9K92 E93 L94K92-S96 PolarHBondContact O-N 3.06Å; E93-S96 WeakPolarHBondContact O-CB 3.48Å; E93-S96 PolarHBondContact O-N 2.91Å; E93-S96 VanDerWaalsContact O-N 3.11Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.12Å
97I93.9Very high95.7Very high39 Ų3930.4 Ų30.420%0.216%0.162CC..Hα-helixtrans-68.7-38.9-179.7-59.2159.7000111.3H69 L72 E93 L94 P99H69-I97 HydrophobicContact CB-CD1 4.13Å; H69-I97 HydrophobicContact CB-CG1 4.1Å; L72-I97 HydrophobicContact CB-CD1 3.92Å; L72-I97 HydrophobicContact CD1-CD1 3.67Å; L72-I97 HydrophobicContact CG-CD1 4.45Å; E93-I97 WeakPolarHBondContact O-CD1 3.13Å; E93-I97 VanDerWaalsContact O-CG1 3.26Å; E93-I97 WeakPolarHBondContact O-CG1 3.37Å; E93-I97 PolarHBondContact O-N 2.91Å; L94-I97 PolarHBondContact O-N 3.29Å; I97-P99 VanDerWaalsContact C-CD 3.46Å; I97-P99 VanDerWaalsContact O-CD 3.23Å; I97-P99 WeakPolarHBondContact O-CD 3.34Å
98Y94.4Very high95.6Very high24 Ų2433.4 Ų33.49%0.09417%0.173CC..  trans-118.774.4-176.4-52.4-77.9000110.7S7 L8 L94 M95 N100 A101 R190S7-Y98 WeakPolarHBondContact OG-CD1 3.25Å; L8-Y98 HydrophobicContact CB-CD1 3.95Å; L8-Y98 HydrophobicContact CB-CD2 4Å; L8-Y98 HydrophobicContact CB-CE1 4.16Å; L8-Y98 HydrophobicContact CB-CE2 4.23Å; L8-Y98 HydrophobicContact CB-CG 3.86Å; L8-Y98 HydrophobicContact CD1-CD2 3.77Å; L8-Y98 HydrophobicContact CD1-CE2 3.52Å; L8-Y98 HydrophobicContact CD1-CG 4.49Å; L8-Y98 HydrophobicContact CG-CD2 4.23Å; L8-Y98 HydrophobicContact CG-CE1 4.3Å; L8-Y98 HydrophobicContact CG-CE2 3.99Å; L94-Y98 HydrophobicContact CD2-CD2 4.26Å; L94-Y98 HydrophobicContact CD2-CE2 4.03Å; L94-Y98 WeakPolarHBondContact O-CB 3.31Å; L94-Y98 WeakPolarHBondContact O-CD2 3.37Å; L94-Y98 PolarHBondContact O-N 2.95Å; M95-Y98 CarbonylContact O-C 3.52Å; Y98-N100 PolarHBondContact O-N 3.32Å; Y98-N100 VanDerWaalsContact O-N 3.13Å; Y98-A101 WeakPolarHBondContact O-CB 3.08Å; Y98-A101 PolarHBondContact O-N 3.11Å; Y98-R190 PolarHBondContact O-NH2 3.39Å
99P93.9Very high95.6Very high78 Ų7837.6 Ų37.651%0.50620%0.195SC..THydrogen-bonded Turntrans-64.6-22.3-173.624.8-35.1000113.8M95 I97 R190M95-P99 WeakPolarHBondContact O-CA 3.48Å; I97-P99 VanDerWaalsContact C-CD 3.46Å; I97-P99 VanDerWaalsContact O-CD 3.23Å; I97-P99 WeakPolarHBondContact O-CD 3.34Å; P99-R190 PolarHBondContact O-NH1 3.12Å; P99-R190 PolarHBondContact O-NH2 3.29Å; P99-R190 VanDerWaalsContact O-NH2 3.1Å
100N94Very high95.7Very high158 Ų15840.2 Ų40.285%0.84521%0.205SC*.THydrogen-bonded Turntrans-91.9-7.2177.5-63.2-35.9000113.5Y98Y98-N100 PolarHBondContact O-N 3.32Å; Y98-N100 VanDerWaalsContact O-N 3.13Å
101A96.3Very high95.8Very high1 Ų144.4 Ų44.41%0.00823%0.227CC..PPolyproline II helixtrans-68.4138.4177.500000110.5L8 L9 I11 Y98 R190L8-A101 WeakPolarHBondContact O-CB 3.28Å; L9-A101 WeakPolarHBondContact O-CA 3.42Å; I11-A101 HydrophobicContact CD1-CB 3.72Å; I11-A101 HydrophobicContact CG1-CB 3.94Å; Y98-A101 WeakPolarHBondContact O-CB 3.08Å; Y98-A101 PolarHBondContact O-N 3.11Å; A101-R190 PolarHBondContact O-NE 2.81Å; A101-R190 PolarHBondContact O-NH2 2.68Å
102K97.2Very high95.9Very high58 Ų5846.5 Ų46.525%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-86.7143.6173-72.1179.5-179.71710110L9 V10 I11 F206 L207L9-K102 PolarHBondContact O-N 3.17Å; V10-K102 CarbonylContact C-O 3.58Å; V10-K102 WeakPolarHBondContact CA-O 3.34Å; I11-K102 PolarHBondContact N-O 2.95Å; K102-F206 HydrophobicContact CB-CE1 3.63Å; K102-F206 HydrophobicContact CB-CZ 3.81Å; K102-F206 HydrophobicContact CD-CD1 4.34Å; K102-F206 HydrophobicContact CD-CE1 4.07Å; K102-F206 HydrophobicContact CD-CZ 4.18Å; K102-F206 WeakPolarHBondContact CD-O 3.36Å; K102-F206 WeakPolarHBondContact CE-O 3.28Å; K102-F206 HydrophobicContact CG-CE1 4.22Å; K102-F206 HydrophobicContact CG-CZ 4.11Å; K102-F206 PolarHBondContact NZ-O 3.39Å; K102-L207 HydrophobicContact CB-CD2 4.03Å; K102-L207 HydrophobicContact CD-CD2 3.86Å; K102-L207 VanDerWaalsContact NZ-C 3.28Å; K102-L207 PolarHBondContact NZ-O 2.86Å
103V97.8Very high96.1Very high0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-101.8128.4-179.5-173.70000109.6I11 A13 M95 I186 R190 L191 L192I11-V103 HydrophobicContact CB-CG2 4.46Å; I11-V103 CarbonylContact O-C 3.56Å; I11-V103 VanDerWaalsContact O-CA 3.3Å; I11-V103 WeakPolarHBondContact O-CA 3.36Å; A13-V103 HydrophobicContact CB-CG1 3.98Å; M95-V103 HydrophobicContact CE-CG2 4.37Å; M95-V103 HydrophobicContact CG-CG2 3.89Å; M95-V103 HydrophobicContact SD-CG2 3.79Å; V103-I186 HydrophobicContact CB-CD1 4.46Å; V103-I186 HydrophobicContact CG1-CD1 4.01Å; V103-I186 HydrophobicContact CG2-CD1 4.36Å; V103-R190 WeakPolarHBondContact CA-O 3.42Å; V103-R190 WeakPolarHBondContact CB-O 3.34Å; V103-R190 PolarHBondContact N-O 2.95Å; V103-L191 HydrophobicContact CB-CD1 4.23Å; V103-L191 HydrophobicContact CG1-CD1 3.95Å; V103-L191 WeakPolarHBondContact O-CA 3.46Å; V103-L192 PolarHBondContact O-N 2.98Å
104V98.1Very high96.3Very high0 Ų040.8 Ų40.80%022%0.215CC..EExtended strand (participates in β ladder)trans-117.9117.4174.2-177.70000109V10 I11 G12 A13 M23 L192 H194 L203 F206V10-V104 HydrophobicContact CG1-CB 4.39Å; V10-V104 HydrophobicContact CG1-CG2 3.79Å; I11-V104 PolarHBondContact O-N 3.05Å; G12-V104 CarbonylContact C-O 3.55Å; G12-V104 WeakPolarHBondContact CA-O 3.38Å; A13-V104 PolarHBondContact N-O 2.86Å; M23-V104 HydrophobicContact CE-CG1 3.58Å; M23-V104 HydrophobicContact SD-CG1 4.07Å; V104-L192 WeakPolarHBondContact CA-O 3.39Å; V104-L192 HydrophobicContact CG1-CD2 4.43Å; V104-L192 HydrophobicContact CG2-CB 4.45Å; V104-H194 HydrophobicContact CG1-CB 3.87Å; V104-L203 HydrophobicContact CG1-CD1 4.49Å; V104-L203 HydrophobicContact CG2-CD1 4.14Å; V104-F206 HydrophobicContact CG2-CD1 4.3Å; V104-F206 HydrophobicContact CG2-CE1 4Å
105L97.8Very high96.3Very high1 Ų144.1 Ų44.11%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-100.5103.3176.1-177.469.2000109A13 V107 M179 F182 L191 L192 V193 H194A13-L105 HydrophobicContact CB-CD1 4.21Å; L105-V107 HydrophobicContact CD2-CG1 4.12Å; L105-V107 HydrophobicContact CG-CG1 3.94Å; L105-M179 HydrophobicContact CD1-CE 3.75Å; L105-M179 HydrophobicContact CD1-SD 4.14Å; L105-M179 HydrophobicContact CD2-CE 4.34Å; L105-M179 HydrophobicContact CD2-SD 3.87Å; L105-M179 HydrophobicContact CG-CE 4.33Å; L105-M179 HydrophobicContact CG-SD 4.06Å; L105-F182 HydrophobicContact CD1-CD1 4.35Å; L105-F182 HydrophobicContact CD1-CD2 3.96Å; L105-F182 HydrophobicContact CD1-CE2 4.26Å; L105-F182 HydrophobicContact CD1-CG 4.05Å; L105-F182 HydrophobicContact CD2-CB 3.66Å; L105-F182 HydrophobicContact CD2-CD2 4.28Å; L105-F182 HydrophobicContact CD2-CG 3.96Å; L105-L191 HydrophobicContact CB-CD1 3.95Å; L105-L192 PolarHBondContact N-O 3.06Å; L105-V193 HydrophobicContact CD2-CG2 4.42Å; L105-H194 PolarHBondContact O-N 3.21Å
106T97.5Very high96.5Very high5 Ų542.8 Ų42.83%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-76.6129.317450.90000110.3G14 S18 M23 H194G14-T106 WeakPolarHBondContact CA-OG1 3.46Å; S18-T106 WeakPolarHBondContact CB-O 3.24Å; S18-T106 WeakPolarHBondContact O-CB 3.34Å; S18-T106 PolarHBondContact OG-O 3.47Å; S18-T106 PolarHBondContact OG-OG1 2.9Å; M23-T106 HydrophobicContact CB-CG2 3.89Å; M23-T106 HydrophobicContact CE-CG2 3.76Å; M23-T106 HydrophobicContact CG-CG2 4.16Å; T106-H194 CarbonylContact C-O 3.59Å; T106-H194 VanDerWaalsContact CA-O 3.3Å; T106-H194 WeakPolarHBondContact CA-O 3.25Å
107V96.6Very high96.7Very high14 Ų1439.7 Ų39.79%0.08521%0.207CC..EExtended strand (participates in β ladder)trans-125.7150.7-174.3-52.70000111.9L105 M179 V193 H194 R195L105-V107 HydrophobicContact CD2-CG1 4.12Å; L105-V107 HydrophobicContact CG-CG1 3.94Å; V107-M179 HydrophobicContact CB-SD 4.29Å; V107-M179 HydrophobicContact CG1-SD 3.52Å; V107-M179 VanDerWaalsContact CG1-SD 3.52Å; V107-V193 HydrophobicContact CB-CG1 4.42Å; V107-V193 HydrophobicContact CG1-CG1 3.65Å; V107-V193 HydrophobicContact CG2-CG1 3.84Å; V107-H194 PolarHBondContact N-O 3.07Å; V107-R195 HydrophobicContact CG2-CG 3.51Å
108R96Very high96.8Very high66 Ų6639.1 Ų39.125%0.24920%0.202CC..  trans-139.9156.9-178.2-170.5169.8-164.4176.51.9109.2R17 K110 D112 W113 S116 Y175R17-R108 WeakPolarHBondContact O-CD 3.38Å; R17-R108 PolarHBondContact O-NH1 3.01Å; R108-K110 PolarHBondContact O-N 3.38Å; R108-D112 HydrophobicContact CG-CB 4.44Å; R108-D112 IonicContact CZ-OD2 2.66Å; R108-D112 IonicContact NE-OD2 3.6Å; R108-D112 PolarHBondContact NE-OD2 2.74Å; R108-D112 IonicContact NH2-OD1 2.82Å; R108-D112 PolarHBondContact NH2-OD1 3.43Å; R108-D112 IonicContact NH2-OD2 3.64Å; R108-D112 PolarHBondContact NH2-OD2 2.95Å; R108-W113 HydrophobicContact CB-CB 4.25Å; R108-W113 HydrophobicContact CG-CB 4.33Å; R108-S116 PolarHBondContact NH1-OG 3.33Å; R108-S116 VanDerWaalsContact NH1-OG 3.08Å; R108-Y175 PolarHBondContact N-OH 2.96Å; R108-Y175 PolarHBondContact O-OH 3.46Å; R108-Y175 VanDerWaalsContact O-OH 3.14Å
109D96.9Very high96.7Very high88 Ų8840.9 Ų40.947%0.47121%0.211SC..  trans-53.4135.8167.3173.6-97.2000109.8N111 D112 W113D109-N111 VanDerWaalsContact C-N 3.32Å; D109-N111 PolarHBondContact O-N 3.02Å; D109-N111 WeakPolarHBondContact OD1-CA 3.26Å; D109-N111 WeakPolarHBondContact OD1-CB 3.45Å; D109-N111 PolarHBondContact OD1-N 2.93Å; D109-D112 HydrophobicContact CB-CB 4.11Å; D109-D112 PolarHBondContact O-N 3.3Å; D109-D112 PolarHBondContact OD1-N 3.38Å; D109-W113 VanDerWaalsContact O-CB 3.26Å; D109-W113 WeakPolarHBondContact O-CB 3.35Å; D109-W113 PolarHBondContact O-N 3.44Å
110K97.6Very high96.7Very high66 Ų6638.2 Ų38.229%0.28719%0.193SC..Hα-helixtrans-64.2-35.2-171.969.1-168.3-168.2170.40113.2R108 L114 I172 Y175 E176R108-K110 PolarHBondContact O-N 3.38Å; K110-L114 WeakPolarHBondContact O-CB 3.31Å; K110-L114 PolarHBondContact O-N 3.33Å; K110-I172 HydrophobicContact CD-CG2 3.82Å; K110-I172 HydrophobicContact CG-CG2 4.31Å; K110-Y175 HydrophobicContact CB-CD1 4Å; K110-Y175 HydrophobicContact CB-CE1 4.25Å; K110-E176 VanDerWaalsContact CD-CD 3.42Å; K110-E176 HydrophobicContact CD-CG 3.94Å; K110-E176 WeakPolarHBondContact CD-OE1 3.29Å; K110-E176 WeakPolarHBondContact CE-OE1 3.4Å; K110-E176 IonicContact NZ-OE1 3.18Å; K110-E176 PolarHBondContact NZ-OE1 2.88Å; K110-E176 IonicContact NZ-OE2 3.9Å; K110-E176 PolarHBondContact NZ-OE2 3.24Å
111N97.8Very high96.7Very high87 Ų8732.7 Ų32.747%0.46516%0.163SC..Hα-helixtrans-76.8-40.3179.8-59.3-57.3000110.5D109 W113 L114 T115D109-N111 VanDerWaalsContact C-N 3.32Å; D109-N111 PolarHBondContact O-N 3.02Å; D109-N111 WeakPolarHBondContact OD1-CA 3.26Å; D109-N111 WeakPolarHBondContact OD1-CB 3.45Å; D109-N111 PolarHBondContact OD1-N 2.93Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-L114 PolarHBondContact O-N 3.22Å; N111-T115 WeakPolarHBondContact O-CB 3.28Å; N111-T115 PolarHBondContact O-N 2.85Å; N111-T115 PolarHBondContact O-OG1 2.84Å
112D96.9Very high96.7Very high61 Ų6134.2 Ų34.233%0.32617%0.171SC..Hα-helixtrans-65.5-39.1172.9-170.932.5000111.4R108 D109 S116 R223R108-D112 HydrophobicContact CG-CB 4.44Å; R108-D112 IonicContact CZ-OD2 2.66Å; R108-D112 IonicContact NE-OD2 3.6Å; R108-D112 PolarHBondContact NE-OD2 2.74Å; R108-D112 IonicContact NH2-OD1 2.82Å; R108-D112 PolarHBondContact NH2-OD1 3.43Å; R108-D112 IonicContact NH2-OD2 3.64Å; R108-D112 PolarHBondContact NH2-OD2 2.95Å; D109-D112 HydrophobicContact CB-CB 4.11Å; D109-D112 PolarHBondContact O-N 3.3Å; D109-D112 PolarHBondContact OD1-N 3.38Å; D112-S116 VanDerWaalsContact O-CB 3.25Å; D112-S116 WeakPolarHBondContact O-CB 3.24Å; D112-S116 PolarHBondContact O-N 3.01Å; D112-R223 PolarHBondContact O-NH2 3.39Å; D112-R223 IonicContact OD1-CZ 3.22Å; D112-R223 IonicContact OD1-NH2 3.87Å; D112-R223 PolarHBondContact OD1-NH2 3.1Å
113W97.8Very high96.6Very high0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-58.4-55172175.580.9000111.3L15 P16 R108 D109 N111 T115 S116 F117 F158 L171 Y175L15-W113 HydrophobicContact CD1-CZ2 4.45Å; P16-W113 PolarHBondContact O-NE1 3.07Å; R108-W113 HydrophobicContact CB-CB 4.25Å; R108-W113 HydrophobicContact CG-CB 4.33Å; D109-W113 VanDerWaalsContact O-CB 3.26Å; D109-W113 WeakPolarHBondContact O-CB 3.35Å; D109-W113 PolarHBondContact O-N 3.44Å; N111-W113 VanDerWaalsContact C-N 3.34Å; W113-T115 VanDerWaalsContact C-N 3.32Å; W113-T115 PolarHBondContact O-N 3.37Å; W113-S116 CarbonylContact O-C 3.46Å; W113-S116 PolarHBondContact O-N 3.43Å; W113-S116 VanDerWaalsContact O-N 3.12Å; W113-F117 HydrophobicContact CH2-CG 4.4Å; W113-F117 HydrophobicContact CZ2-CB 4.42Å; W113-F117 HydrophobicContact CZ2-CD2 4.06Å; W113-F117 HydrophobicContact CZ2-CG 4.26Å; W113-F117 WeakPolarHBondContact O-CB 3.39Å; W113-F117 PolarHBondContact O-N 2.97Å; W113-F158 HydrophobicContact CH2-CZ 4.2Å; W113-F158 HydrophobicContact CZ2-CZ 4.43Å; W113-L171 HydrophobicContact CZ3-CB 4.5Å; W113-Y175 HydrophobicContact CB-CE2 4.29Å; W113-Y175 AromaticContact CD1-CE2 3.61Å; W113-Y175 AromaticContact CD2-CD2 3.39Å; W113-Y175 HydrophobicContact CD2-CD2 3.39Å; W113-Y175 AromaticContact CD2-CE2 3.64Å; W113-Y175 HydrophobicContact CD2-CE2 3.64Å; W113-Y175 HydrophobicContact CD2-CG 4.04Å; W113-Y175 AromaticContact CE2-CD2 3.49Å; W113-Y175 VanDerWaalsContact CE2-CD2 3.49Å; W113-Y175 AromaticContact CE2-CE2 3.76Å; W113-Y175 AromaticContact CE3-CD2 3.67Å; W113-Y175 HydrophobicContact CE3-CD2 3.67Å; W113-Y175 HydrophobicContact CE3-CE2 4.31Å; W113-Y175 AromaticContact CE3-CG 3.87Å; W113-Y175 HydrophobicContact CE3-CG 3.87Å; W113-Y175 AromaticContact CG-CD2 3.87Å; W113-Y175 HydrophobicContact CG-CD2 3.87Å; W113-Y175 AromaticContact CG-CE2 3.57Å; W113-Y175 HydrophobicContact CG-CE2 3.57Å; W113-Y175 HydrophobicContact CH2-CD2 4.13Å; W113-Y175 AromaticContact CZ2-CD2 3.88Å; W113-Y175 HydrophobicContact CZ2-CD2 3.88Å; W113-Y175 HydrophobicContact CZ3-CD2 4.03Å; W113-Y175 HydrophobicContact CZ3-CG 4.17Å; W113-Y175 AromaticContact NE1-CD2 3.94Å; W113-Y175 AromaticContact NE1-CE2 3.71Å
114L98.3Very high96.6Very high15 Ų1534.6 Ų34.68%0.07917%0.174CC..Hα-helixtrans-57.2-47.6-179.2176.665.6000110.8K110 N111 S116 F117 R118 D168 L171 I172K110-L114 WeakPolarHBondContact O-CB 3.31Å; K110-L114 PolarHBondContact O-N 3.33Å; N111-L114 PolarHBondContact O-N 3.22Å; L114-S116 VanDerWaalsContact C-N 3.29Å; L114-S116 PolarHBondContact O-N 3.4Å; L114-F117 WeakPolarHBondContact O-CB 3.43Å; L114-F117 PolarHBondContact O-N 2.9Å; L114-F117 VanDerWaalsContact O-N 3.15Å; L114-R118 HydrophobicContact CD1-CG 4.22Å; L114-R118 HydrophobicContact CG-CG 4.45Å; L114-R118 WeakPolarHBondContact O-CG 3.36Å; L114-R118 PolarHBondContact O-N 2.91Å; L114-D168 HydrophobicContact CD2-CB 3.7Å; L114-L171 HydrophobicContact CD1-CB 4.27Å; L114-L171 HydrophobicContact CD1-CD1 4.09Å; L114-I172 HydrophobicContact CB-CG1 4.42Å; L114-I172 HydrophobicContact CD2-CD1 3.68Å; L114-I172 HydrophobicContact CD2-CG1 3.96Å
115T97.1Very high96.5Very high71 Ų7138.4 Ų38.444%0.43620%0.2SC..Hα-helixtrans-63.5-38.5-178.9-47.20000111.1N111 W113 Q119N111-T115 WeakPolarHBondContact O-CB 3.28Å; N111-T115 PolarHBondContact O-N 2.85Å; N111-T115 PolarHBondContact O-OG1 2.84Å; W113-T115 VanDerWaalsContact C-N 3.32Å; W113-T115 PolarHBondContact O-N 3.37Å; T115-Q119 WeakPolarHBondContact O-CB 3.5Å; T115-Q119 PolarHBondContact O-N 2.94Å
116S96.7Very high96.4Very high0 Ų044.4 Ų44.40%023%0.233CC..Hα-helixtrans-71.7-32.6176.9-177.30000112.3R17 R108 D112 W113 L114 V120R17-S116 PolarHBondContact NE-OG 3.37Å; R17-S116 PolarHBondContact NH2-OG 3.03Å; R17-S116 VanDerWaalsContact NH2-OG 3.16Å; R108-S116 PolarHBondContact NH1-OG 3.33Å; R108-S116 VanDerWaalsContact NH1-OG 3.08Å; D112-S116 VanDerWaalsContact O-CB 3.25Å; D112-S116 WeakPolarHBondContact O-CB 3.24Å; D112-S116 PolarHBondContact O-N 3.01Å; W113-S116 CarbonylContact O-C 3.46Å; W113-S116 PolarHBondContact O-N 3.43Å; W113-S116 VanDerWaalsContact O-N 3.12Å; L114-S116 VanDerWaalsContact C-N 3.29Å; L114-S116 PolarHBondContact O-N 3.4Å; S116-V120 WeakPolarHBondContact O-CB 3.14Å; S116-V120 PolarHBondContact O-N 3.19Å
117F97.2Very high96.2Very high1 Ų146.8 Ų46.80%0.00425%0.245CC..Hα-helixtrans-65.7-52.1175177-95.1000110.7W113 L114 Q119 V120 I121 M122 L154 F165 L171W113-F117 HydrophobicContact CH2-CG 4.4Å; W113-F117 HydrophobicContact CZ2-CB 4.42Å; W113-F117 HydrophobicContact CZ2-CD2 4.06Å; W113-F117 HydrophobicContact CZ2-CG 4.26Å; W113-F117 WeakPolarHBondContact O-CB 3.39Å; W113-F117 PolarHBondContact O-N 2.97Å; L114-F117 WeakPolarHBondContact O-CB 3.43Å; L114-F117 PolarHBondContact O-N 2.9Å; L114-F117 VanDerWaalsContact O-N 3.15Å; F117-Q119 PolarHBondContact O-N 3.23Å; F117-V120 PolarHBondContact O-N 3.49Å; F117-I121 HydrophobicContact CD2-CB 3.87Å; F117-I121 HydrophobicContact CD2-CG1 4.14Å; F117-I121 HydrophobicContact CD2-CG2 4.1Å; F117-I121 HydrophobicContact CE2-CB 3.9Å; F117-I121 HydrophobicContact CE2-CG1 4.48Å; F117-I121 HydrophobicContact CE2-CG2 3.61Å; F117-I121 HydrophobicContact CG-CB 4.5Å; F117-I121 HydrophobicContact CZ-CG2 4.19Å; F117-I121 WeakPolarHBondContact O-CA 3.44Å; F117-I121 WeakPolarHBondContact O-CB 3.35Å; F117-I121 PolarHBondContact O-N 3.29Å; F117-M122 HydrophobicContact CE1-CB 3.79Å; F117-M122 HydrophobicContact CE1-SD 4.43Å; F117-M122 HydrophobicContact CZ-CB 3.82Å; F117-M122 HydrophobicContact CZ-SD 4.28Å; F117-M122 PolarHBondContact O-N 2.66Å; F117-M122 VanDerWaalsContact O-N 3.08Å; F117-L154 HydrophobicContact CE2-CD1 3.63Å; F117-L154 HydrophobicContact CZ-CD1 3.83Å; F117-F165 HydrophobicContact CE1-CD1 4.45Å; F117-F165 HydrophobicContact CZ-CD1 4.23Å; F117-F165 HydrophobicContact CZ-CE1 4.3Å; F117-L171 HydrophobicContact CD1-CD1 4.41Å; F117-L171 HydrophobicContact CE1-CD1 4.09Å
118R96.3Very high96.1Very high27 Ų2752.3 Ų52.310%0.10228%0.281CS..Hα-helixtrans-54.1-42.6176.8-70.3-57.7-173.5-170-0.8112.7L114 M122 P123 K124 F165 D166 D168L114-R118 HydrophobicContact CD1-CG 4.22Å; L114-R118 HydrophobicContact CG-CG 4.45Å; L114-R118 WeakPolarHBondContact O-CG 3.36Å; L114-R118 PolarHBondContact O-N 2.91Å; R118-M122 WeakPolarHBondContact CA-O 3.4Å; R118-M122 WeakPolarHBondContact CD-O 3.39Å; R118-M122 PolarHBondContact NH1-O 2.88Å; R118-M122 CarbonylContact O-C 3.53Å; R118-P123 VanDerWaalsContact O-CA 3.29Å; R118-P123 WeakPolarHBondContact O-CA 3.43Å; R118-P123 WeakPolarHBondContact O-CD 3.11Å; R118-K124 VanDerWaalsContact CZ-CG 3.41Å; R118-F165 PolarHBondContact NH1-O 3.25Å; R118-F165 PolarHBondContact NH2-O 3.46Å; R118-D166 PolarHBondContact NH2-O 2.92Å; R118-D168 IonicContact CZ-OD1 3.31Å; R118-D168 VanDerWaalsContact CZ-OD1 3.23Å; R118-D168 IonicContact NE-OD1 3.19Å; R118-D168 PolarHBondContact NE-OD1 2.91Å; R118-D168 IonicContact NH2-OD1 3.59Å; R118-D168 PolarHBondContact NH2-OD1 3.41Å
119Q93.1Very high95.9Very high61 Ų6151.5 Ų51.529%0.28529%0.286SS..Hα-helixtrans-81.1-27.2-171.8-156-164.2-68.300114.5T115 F117 R223 Q227T115-Q119 WeakPolarHBondContact O-CB 3.5Å; T115-Q119 PolarHBondContact O-N 2.94Å; F117-Q119 PolarHBondContact O-N 3.23Å; Q119-R223 VanDerWaalsContact CD-CG 3.44Å; Q119-Q227 VanDerWaalsContact CD-NE2 3.33Å
120V93.4Very high95.7Very high22 Ų2249.3 Ų49.313%0.13327%0.274CS..Hα-helixtrans-116.5-27.7-170.2-178.20000112.8S116 F117 M226S116-V120 WeakPolarHBondContact O-CB 3.14Å; S116-V120 PolarHBondContact O-N 3.19Å; F117-V120 PolarHBondContact O-N 3.49Å; V120-M226 HydrophobicContact CG1-CB 4.18Å; V120-M226 HydrophobicContact CG1-CE 4.24Å; V120-M226 HydrophobicContact CG1-CG 3.91Å; V120-M226 HydrophobicContact CG2-CB 3.96Å; V120-M226 HydrophobicContact CG2-CG 4.28Å
121I94.8Very high95.6Very high42 Ų4254.1 Ų54.122%0.21530%0.295CS..THydrogen-bonded Turntrans-109.9-52-174.3-55.6-60.3000111.2P16 R17 F117 F133 V150P16-I121 HydrophobicContact CB-CD1 4.39Å; P16-I121 HydrophobicContact CB-CG1 4.37Å; R17-I121 HydrophobicContact CG-CD1 4.28Å; R17-I121 HydrophobicContact CG-CG1 3.59Å; F117-I121 HydrophobicContact CD2-CB 3.87Å; F117-I121 HydrophobicContact CD2-CG1 4.14Å; F117-I121 HydrophobicContact CD2-CG2 4.1Å; F117-I121 HydrophobicContact CE2-CB 3.9Å; F117-I121 HydrophobicContact CE2-CG1 4.48Å; F117-I121 HydrophobicContact CE2-CG2 3.61Å; F117-I121 HydrophobicContact CG-CB 4.5Å; F117-I121 HydrophobicContact CZ-CG2 4.19Å; F117-I121 WeakPolarHBondContact O-CA 3.44Å; F117-I121 WeakPolarHBondContact O-CB 3.35Å; F117-I121 PolarHBondContact O-N 3.29Å; I121-F133 VanDerWaalsContact O-CZ 3.26Å; I121-F133 WeakPolarHBondContact O-CZ 3.37Å; I121-V150 HydrophobicContact CG2-CG1 3.79Å
122M95.6Very high95.3Very high33 Ų3354.7 Ų54.716%0.16329%0.294CS..  trans-154.792.1-169.6-170.9-179.8-70.600111.8F117 R118 T151 F165F117-M122 HydrophobicContact CE1-CB 3.79Å; F117-M122 HydrophobicContact CE1-SD 4.43Å; F117-M122 HydrophobicContact CZ-CB 3.82Å; F117-M122 HydrophobicContact CZ-SD 4.28Å; F117-M122 PolarHBondContact O-N 2.66Å; F117-M122 VanDerWaalsContact O-N 3.08Å; R118-M122 WeakPolarHBondContact CA-O 3.4Å; R118-M122 WeakPolarHBondContact CD-O 3.39Å; R118-M122 PolarHBondContact NH1-O 2.88Å; R118-M122 CarbonylContact O-C 3.53Å; M122-T151 WeakPolarHBondContact CE-OG1 3.4Å; M122-F165 HydrophobicContact CE-CD1 4.11Å; M122-F165 HydrophobicContact CE-CE1 4.3Å; M122-F165 HydrophobicContact CE-CG 4.32Å; M122-F165 HydrophobicContact SD-CB 3.53Å; M122-F165 VanDerWaalsContact SD-CB 3.53Å; M122-F165 HydrophobicContact SD-CD1 3.38Å; M122-F165 WeakPolarHBondContact SD-CD1 3.5Å; M122-F165 HydrophobicContact SD-CD2 4.29Å; M122-F165 HydrophobicContact SD-CE1 4.14Å; M122-F165 HydrophobicContact SD-CG 3.47Å; M122-F165 WeakPolarHBondContact SD-CG 3.35Å
123P96.3Very high95.1Very high12 Ų1253.5 Ų53.58%0.07829%0.286CS..  trans-56.6158.1166.4-21.232.5000110.8R118 D127 F133R118-P123 VanDerWaalsContact O-CA 3.29Å; R118-P123 WeakPolarHBondContact O-CA 3.43Å; R118-P123 WeakPolarHBondContact O-CD 3.11Å; P123-D127 HydrophobicContact CB-CB 4.06Å; P123-F133 VanDerWaalsContact CD-CD1 3.5Å; P123-F133 HydrophobicContact CG-CB 3.89Å; P123-F133 HydrophobicContact CG-CD1 3.67Å; P123-F133 HydrophobicContact CG-CD2 3.78Å; P123-F133 HydrophobicContact CG-CE1 4.07Å; P123-F133 HydrophobicContact CG-CE2 4.2Å; P123-F133 HydrophobicContact CG-CG 3.5Å; P123-F133 VanDerWaalsContact CG-CG 3.5Å; P123-F133 HydrophobicContact CG-CZ 4.34Å
124K97.2Very high95Very high55 Ų5558.6 Ų58.624%0.23931%0.31CS..  trans-66.5154170.6-70.6-177.8-179.4170.30110.9R118 D126 D127 D166 D168R118-K124 VanDerWaalsContact CZ-CG 3.41Å; K124-D126 WeakPolarHBondContact CB-OD1 3.35Å; K124-D126 PolarHBondContact O-N 3.49Å; K124-D127 HydrophobicContact CB-CB 4.28Å; K124-D127 VanDerWaalsContact O-CB 3.26Å; K124-D127 WeakPolarHBondContact O-CB 3.22Å; K124-D127 PolarHBondContact O-N 2.88Å; K124-D166 WeakPolarHBondContact CA-OD1 3.1Å; K124-D166 WeakPolarHBondContact CB-OD1 3.46Å; K124-D166 VanDerWaalsContact CE-O 3.29Å; K124-D166 WeakPolarHBondContact CE-O 3.45Å; K124-D168 WeakPolarHBondContact CE-OD1 3.34Å; K124-D168 WeakPolarHBondContact CE-OD2 3.25Å; K124-D168 VanDerWaalsContact NZ-CG 3.31Å; K124-D168 IonicContact NZ-OD1 3.59Å; K124-D168 IonicContact NZ-OD2 2.75Å; K124-D168 PolarHBondContact NZ-OD2 2.68Å
125S95.4Very high94.8Very high79 Ų7960.9 Ų60.955%0.55232%0.32SS*.THydrogen-bonded Turntrans-60.3-27.2177.469.10000113.4D166S125-D166 WeakPolarHBondContact CB-OD2 3.31Å; S125-D166 PolarHBondContact N-OD1 3.41Å; S125-D166 PolarHBondContact OG-OD2 3.46Å
126D95.1Very high94.6Very high128 Ų12857.9 Ų57.968%0.68430%0.303SS*.THydrogen-bonded Turntrans-95.41.6177.170.4-16.2000114K124K124-D126 WeakPolarHBondContact CB-OD1 3.35Å; K124-D126 PolarHBondContact O-N 3.49Å
127D94.9Very high94.4Very high55 Ų5559.6 Ų59.629%0.29431%0.31SS..  trans-69.1126.6-180-167.8-64.4000110.7P123 K124 S129 I130P123-D127 HydrophobicContact CB-CB 4.06Å; K124-D127 HydrophobicContact CB-CB 4.28Å; K124-D127 VanDerWaalsContact O-CB 3.26Å; K124-D127 WeakPolarHBondContact O-CB 3.22Å; K124-D127 PolarHBondContact O-N 2.88Å; D127-S129 PolarHBondContact O-N 3.47Å; D127-S129 WeakPolarHBondContact OD1-CA 3.28Å; D127-S129 VanDerWaalsContact OD1-CB 3.24Å; D127-S129 WeakPolarHBondContact OD1-CB 3.46Å; D127-S129 PolarHBondContact OD1-N 2.9Å; D127-S129 PolarHBondContact OD1-OG 2.98Å; D127-I130 WeakPolarHBondContact O-CB 3.21Å; D127-I130 VanDerWaalsContact O-CG2 3.24Å; D127-I130 WeakPolarHBondContact O-CG2 3.4Å; D127-I130 PolarHBondContact O-N 3.4Å
128P93.9Very high94.3Very high130 Ų13066.8 Ų66.884%0.84434%0.342SS*.THydrogen-bonded Turntrans-57.1-23.8179.8-26.535000114.6
129S91Very high94.2Very high49 Ų4969.2 Ų69.234%0.34335%0.351SS..THydrogen-bonded Turntrans-83.4-7.5-179.972.70000114.1D127 K131 Q132 F133D127-S129 PolarHBondContact O-N 3.47Å; D127-S129 WeakPolarHBondContact OD1-CA 3.28Å; D127-S129 VanDerWaalsContact OD1-CB 3.24Å; D127-S129 WeakPolarHBondContact OD1-CB 3.46Å; D127-S129 PolarHBondContact OD1-N 2.9Å; D127-S129 PolarHBondContact OD1-OG 2.98Å; S129-K131 VanDerWaalsContact C-N 3.33Å; S129-K131 PolarHBondContact O-N 2.72Å; S129-Q132 WeakPolarHBondContact O-CA 3.38Å; S129-Q132 WeakPolarHBondContact O-CB 3.42Å; S129-Q132 PolarHBondContact O-N 3.36Å; S129-F133 PolarHBondContact O-N 2.77Å
130I94Very high94.1Very high42 Ų4267.4 Ų67.422%0.21535%0.345CS..Hα-helixtrans-55.4-43.2-172.1-167.4166.4000113.2D127 Q132 F133 E134D127-I130 WeakPolarHBondContact O-CB 3.21Å; D127-I130 VanDerWaalsContact O-CG2 3.24Å; D127-I130 WeakPolarHBondContact O-CG2 3.4Å; D127-I130 PolarHBondContact O-N 3.4Å; I130-Q132 VanDerWaalsContact C-N 3.33Å; I130-Q132 PolarHBondContact O-N 2.92Å; I130-F133 WeakPolarHBondContact O-CB 3.44Å; I130-F133 PolarHBondContact O-N 2.92Å; I130-E134 HydrophobicContact CG1-CG 4.48Å; I130-E134 WeakPolarHBondContact O-CG 3.41Å; I130-E134 PolarHBondContact O-N 3.34Å
131K94Very high94Very high167 Ų16768 Ų6873%0.72636%0.355SS*.Hα-helixtrans-64.5-37.9178.3-66.6-176.4-179.7177.80112.5S129 E135S129-K131 VanDerWaalsContact C-N 3.33Å; S129-K131 PolarHBondContact O-N 2.72Å; K131-E135 WeakPolarHBondContact O-CB 3.42Å; K131-E135 PolarHBondContact O-N 3.47Å; K131-E135 VanDerWaalsContact O-N 3.1Å
132Q92.4Very high93.9Very high99 Ų9967.3 Ų67.346%0.46335%0.353SS..Hα-helixtrans-69.7-38.5176.5-178.9178.51.200110.6S129 I130 A136 M234S129-Q132 WeakPolarHBondContact O-CA 3.38Å; S129-Q132 WeakPolarHBondContact O-CB 3.42Å; S129-Q132 PolarHBondContact O-N 3.36Å; I130-Q132 VanDerWaalsContact C-N 3.33Å; I130-Q132 PolarHBondContact O-N 2.92Å; Q132-A136 VanDerWaalsContact O-CB 3.25Å; Q132-A136 WeakPolarHBondContact O-CB 3.33Å; Q132-A136 PolarHBondContact O-N 3.32Å; Q132-M234 HydrophobicContact CG-CE 4.27Å; Q132-M234 HydrophobicContact CG-CG 4.17Å; Q132-M234 HydrophobicContact CG-SD 4.42Å
133F93.1Very high93.8Very high36 Ų3666.9 Ų66.916%0.15835%0.353CS..Hα-helixtrans-62.7-48.5176.4179.7-96.2000111.9I121 P123 S129 I130 A136 K137I121-F133 VanDerWaalsContact O-CZ 3.26Å; I121-F133 WeakPolarHBondContact O-CZ 3.37Å; P123-F133 VanDerWaalsContact CD-CD1 3.5Å; P123-F133 HydrophobicContact CG-CB 3.89Å; P123-F133 HydrophobicContact CG-CD1 3.67Å; P123-F133 HydrophobicContact CG-CD2 3.78Å; P123-F133 HydrophobicContact CG-CE1 4.07Å; P123-F133 HydrophobicContact CG-CE2 4.2Å; P123-F133 HydrophobicContact CG-CG 3.5Å; P123-F133 VanDerWaalsContact CG-CG 3.5Å; P123-F133 HydrophobicContact CG-CZ 4.34Å; S129-F133 PolarHBondContact O-N 2.77Å; I130-F133 WeakPolarHBondContact O-CB 3.44Å; I130-F133 PolarHBondContact O-N 2.92Å; F133-A136 PolarHBondContact O-N 3.23Å; F133-K137 HydrophobicContact CD1-CD 3.79Å; F133-K137 HydrophobicContact CE1-CD 3.26Å; F133-K137 HydrophobicContact CE1-CG 4.36Å; F133-K137 HydrophobicContact CE2-CD 4.38Å; F133-K137 HydrophobicContact CZ-CD 3.59Å; F133-K137 HydrophobicContact CZ-CG 4.44Å; F133-K137 WeakPolarHBondContact O-CG 3.38Å; F133-K137 PolarHBondContact O-N 3.25Å
134E94.7Very high93.7Very high107 Ų10771.9 Ų71.950%0.538%0.383SS..Hα-helixtrans-60.8-45.4176.6-71.3174.5166.900112.1I130 K137 K138I130-E134 HydrophobicContact CG1-CG 4.48Å; I130-E134 WeakPolarHBondContact O-CG 3.41Å; I130-E134 PolarHBondContact O-N 3.34Å; E134-K137 PolarHBondContact O-N 2.88Å; E134-K138 WeakPolarHBondContact O-CB 3.27Å; E134-K138 PolarHBondContact O-N 3.37Å
135E94.3Very high93.7Very high63 Ų6375 Ų7529%0.29440%0.398SS..Hα-helixtrans-65.4-39.6177.7-178.665.1-173.900111.7K131 K137 K138 R139 M234K131-E135 WeakPolarHBondContact O-CB 3.42Å; K131-E135 PolarHBondContact O-N 3.47Å; K131-E135 VanDerWaalsContact O-N 3.1Å; E135-K137 PolarHBondContact O-N 2.83Å; E135-K138 PolarHBondContact O-N 3.12Å; E135-R139 WeakPolarHBondContact O-CB 3.42Å; E135-R139 VanDerWaalsContact O-CG 3.31Å; E135-R139 WeakPolarHBondContact O-CG 3.38Å; E135-R139 PolarHBondContact O-N 3.15Å; E135-R139 IonicContact OE1-CZ 2.73Å; E135-R139 VanDerWaalsContact OE1-CZ 3.3Å; E135-R139 IonicContact OE1-NE 3.02Å; E135-R139 PolarHBondContact OE1-NE 3.08Å; E135-R139 IonicContact OE1-NH2 3.49Å; E135-R139 PolarHBondContact OE1-NH2 3.11Å; E135-M234 HydrophobicContact CB-CE 4.47Å; E135-M234 HydrophobicContact CB-SD 4.18Å; E135-M234 HydrophobicContact CG-CE 3.99Å; E135-M234 HydrophobicContact CG-SD 3.82Å
136A93.3Very high93.8Very high8 Ų872 Ų727%0.06638%0.376CS..Hα-helixtrans-63.5-39.7175.500000112Q132 F133 R139 S140 A230 M234Q132-A136 VanDerWaalsContact O-CB 3.25Å; Q132-A136 WeakPolarHBondContact O-CB 3.33Å; Q132-A136 PolarHBondContact O-N 3.32Å; F133-A136 PolarHBondContact O-N 3.23Å; A136-R139 PolarHBondContact O-N 2.78Å; A136-S140 VanDerWaalsContact O-CB 3.31Å; A136-S140 WeakPolarHBondContact O-CB 3.48Å; A136-S140 PolarHBondContact O-N 3.24Å; A136-S140 PolarHBondContact O-OG 3.44Å; A136-A230 HydrophobicContact CB-CB 4.26Å; A136-M234 HydrophobicContact CB-CG 4.24Å; A136-M234 HydrophobicContact CB-SD 4.22Å
137K93.6Very high93.8Very high36 Ų3668.7 Ų68.716%0.15736%0.358CS..Hα-helixtrans-64.2-46.5175-78.517464.3-178.50112.1F133 E134 E135 R139 S140 G141 V142 D147F133-K137 HydrophobicContact CD1-CD 3.79Å; F133-K137 HydrophobicContact CE1-CD 3.26Å; F133-K137 HydrophobicContact CE1-CG 4.36Å; F133-K137 HydrophobicContact CE2-CD 4.38Å; F133-K137 HydrophobicContact CZ-CD 3.59Å; F133-K137 HydrophobicContact CZ-CG 4.44Å; F133-K137 WeakPolarHBondContact O-CG 3.38Å; F133-K137 PolarHBondContact O-N 3.25Å; E134-K137 PolarHBondContact O-N 2.88Å; E135-K137 PolarHBondContact O-N 2.83Å; K137-R139 PolarHBondContact O-N 3.04Å; K137-S140 CarbonylContact O-C 3.42Å; K137-S140 WeakPolarHBondContact O-CA 3.26Å; K137-S140 WeakPolarHBondContact O-CB 3.37Å; K137-S140 PolarHBondContact O-N 3.11Å; K137-G141 PolarHBondContact O-N 2.93Å; K137-V142 HydrophobicContact CB-CB 4.19Å; K137-V142 HydrophobicContact CB-CG2 4.4Å; K137-V142 PolarHBondContact O-N 3.31Å; K137-D147 WeakPolarHBondContact CE-OD1 3.45Å; K137-D147 IonicContact NZ-OD1 2.81Å; K137-D147 PolarHBondContact NZ-OD1 3.08Å; K137-D147 IonicContact NZ-OD2 3.16Å; K137-D147 PolarHBondContact NZ-OD2 2.87Å
138K94.3Very high93.9Very high152 Ų15271 Ų7166%0.66137%0.365SS*.Hα-helixtrans-57.8-47.3176.1-179.6-175.6173-170.20111.6E134 E135 S140 G141E134-K138 WeakPolarHBondContact O-CB 3.27Å; E134-K138 PolarHBondContact O-N 3.37Å; E135-K138 PolarHBondContact O-N 3.12Å; K138-S140 PolarHBondContact O-N 3.25Å; K138-G141 PolarHBondContact O-N 2.82Å
139R93.1Very high94.1Very high77 Ų7764.9 Ų64.929%0.29133%0.326SS..Hα-helixtrans-68.4-20.6176.5-70.2179.3-172.7-166.36.6113.9E135 A136 K137 G141 V233 M234 G237 S238 I239E135-R139 WeakPolarHBondContact O-CB 3.42Å; E135-R139 VanDerWaalsContact O-CG 3.31Å; E135-R139 WeakPolarHBondContact O-CG 3.38Å; E135-R139 PolarHBondContact O-N 3.15Å; E135-R139 IonicContact OE1-CZ 2.73Å; E135-R139 VanDerWaalsContact OE1-CZ 3.3Å; E135-R139 IonicContact OE1-NE 3.02Å; E135-R139 PolarHBondContact OE1-NE 3.08Å; E135-R139 IonicContact OE1-NH2 3.49Å; E135-R139 PolarHBondContact OE1-NH2 3.11Å; A136-R139 PolarHBondContact O-N 2.78Å; K137-R139 PolarHBondContact O-N 3.04Å; R139-G141 VanDerWaalsContact C-N 3.27Å; R139-V233 HydrophobicContact CB-CG1 3.32Å; R139-V233 HydrophobicContact CG-CG1 4.44Å; R139-M234 PolarHBondContact NH1-O 2.98Å; R139-G237 WeakPolarHBondContact CB-O 3.47Å; R139-G237 WeakPolarHBondContact CD-O 3.46Å; R139-G237 WeakPolarHBondContact CG-O 3.3Å; R139-S238 WeakPolarHBondContact O-CA 3.32Å; R139-I239 PolarHBondContact O-N 3.33Å
140S91.2Very high94.5Very high23 Ų2363.1 Ų63.116%0.16131%0.313CS..THydrogen-bonded Turntrans-86.33.3172-54.90000113.1A136 K137 K138 V142A136-S140 VanDerWaalsContact O-CB 3.31Å; A136-S140 WeakPolarHBondContact O-CB 3.48Å; A136-S140 PolarHBondContact O-N 3.24Å; A136-S140 PolarHBondContact O-OG 3.44Å; K137-S140 CarbonylContact O-C 3.42Å; K137-S140 WeakPolarHBondContact O-CA 3.26Å; K137-S140 WeakPolarHBondContact O-CB 3.37Å; K137-S140 PolarHBondContact O-N 3.11Å; K138-S140 PolarHBondContact O-N 3.25Å; S140-V142 VanDerWaalsContact C-N 3.26Å; S140-V142 PolarHBondContact O-N 3.33Å
141G91.9Very high94.7Very high35 Ų3562.8 Ų62.836%0.36131%0.313SS..THydrogen-bonded Turntrans70.419.3178.900000114.3Q46 K137 K138 R139 P143Q46-G141 PolarHBondContact NE2-O 3.44Å; K137-G141 PolarHBondContact O-N 2.93Å; K138-G141 PolarHBondContact O-N 2.82Å; R139-G141 VanDerWaalsContact C-N 3.27Å; G141-P143 WeakPolarHBondContact O-CD 3.4Å
142V93.4Very high94.9Very high28 Ų2855.8 Ų55.817%0.1728%0.284CS..  trans-73.5119.9175.9-177.30000108.7V42 K137 S140 M146V42-V142 HydrophobicContact CG1-CG2 3.86Å; V42-V142 HydrophobicContact CG2-CG1 4.48Å; V42-V142 HydrophobicContact CG2-CG2 4.48Å; K137-V142 HydrophobicContact CB-CB 4.19Å; K137-V142 HydrophobicContact CB-CG2 4.4Å; K137-V142 PolarHBondContact O-N 3.31Å; S140-V142 VanDerWaalsContact C-N 3.26Å; S140-V142 PolarHBondContact O-N 3.33Å; V142-M146 HydrophobicContact CG1-CB 4.01Å; V142-M146 HydrophobicContact CG1-CG 4.19Å
143P93.2Very high95.1Very high24 Ų2451.1 Ų51.116%0.15626%0.262CS..  trans-64.2144.7177.8-22.235.1000111.7Q46 I49 G141 E145 M146Q46-P143 HydrophobicContact CB-CG 4.3Å; Q46-P143 HydrophobicContact CG-CG 3.9Å; I49-P143 HydrophobicContact CD1-CB 4.06Å; I49-P143 HydrophobicContact CD1-CG 3.79Å; G141-P143 WeakPolarHBondContact O-CD 3.4Å; P143-E145 WeakPolarHBondContact CB-OE2 3.37Å; P143-E145 PolarHBondContact O-N 2.87Å; P143-M146 WeakPolarHBondContact O-CB 3.23Å; P143-M146 PolarHBondContact O-N 3.34Å
144V94.4Very high95.4Very high117 Ų11749.4 Ų49.471%0.70925%0.254SS*.THydrogen-bonded Turntrans-63.6-29.8179175.80000111M146 D147V144-M146 PolarHBondContact O-N 3.11Å; V144-D147 WeakPolarHBondContact O-CB 3.4Å; V144-D147 PolarHBondContact O-N 3.48Å
145E96.6Very high95.5Very high120 Ų12046.4 Ų46.456%0.56124%0.239SC*.Hα-helixtrans-60.7-24175.4-6378.3-174.900112.6I49 P143 D147 K148 L149I49-E145 HydrophobicContact CG2-CB 3.8Å; P143-E145 WeakPolarHBondContact CB-OE2 3.37Å; P143-E145 PolarHBondContact O-N 2.87Å; E145-D147 PolarHBondContact O-N 3.46Å; E145-K148 PolarHBondContact O-N 3.09Å; E145-L149 PolarHBondContact O-N 2.91Å; E145-L149 VanDerWaalsContact O-N 3.08Å
146M96.7Very high95.6Very high15 Ų1544.8 Ų44.87%0.07423%0.233CC..Hα-helixtrans-61.9-31.8174.3-171.860.5-177.800111.5L41 I49 V142 P143 V144 L149 V150L41-M146 HydrophobicContact CB-CE 4.36Å; L41-M146 HydrophobicContact CB-SD 4.15Å; L41-M146 HydrophobicContact CD1-CE 4.11Å; L41-M146 HydrophobicContact CD1-SD 4.1Å; I49-M146 HydrophobicContact CD1-CB 4.42Å; V142-M146 HydrophobicContact CG1-CB 4.01Å; V142-M146 HydrophobicContact CG1-CG 4.19Å; P143-M146 WeakPolarHBondContact O-CB 3.23Å; P143-M146 PolarHBondContact O-N 3.34Å; V144-M146 PolarHBondContact O-N 3.11Å; M146-L149 PolarHBondContact O-N 2.96Å; M146-L149 HydrophobicContact SD-CD2 4.31Å; M146-V150 HydrophobicContact CE-CG2 3.77Å; M146-V150 HydrophobicContact CG-CG2 4.29Å; M146-V150 WeakPolarHBondContact O-CB 3.08Å; M146-V150 VanDerWaalsContact O-CG2 3.27Å; M146-V150 WeakPolarHBondContact O-CG2 3.47Å; M146-V150 PolarHBondContact O-N 3.47Å; M146-V150 HydrophobicContact SD-CG2 4.36Å
147D96.3Very high95.8Very high59 Ų5944.7 Ų44.732%0.31623%0.232SC..Hα-helixtrans-71.9-40.3-176-66-0.8000110.9K137 V144 E145 T151K137-D147 WeakPolarHBondContact CE-OD1 3.45Å; K137-D147 IonicContact NZ-OD1 2.81Å; K137-D147 PolarHBondContact NZ-OD1 3.08Å; K137-D147 IonicContact NZ-OD2 3.16Å; K137-D147 PolarHBondContact NZ-OD2 2.87Å; V144-D147 WeakPolarHBondContact O-CB 3.4Å; V144-D147 PolarHBondContact O-N 3.48Å; E145-D147 PolarHBondContact O-N 3.46Å; D147-T151 VanDerWaalsContact O-CB 3.3Å; D147-T151 WeakPolarHBondContact O-CB 3.38Å; D147-T151 PolarHBondContact O-N 3.38Å; D147-T151 PolarHBondContact O-OG1 3.4Å
148K97.2Very high95.9Very high103 Ų10343.5 Ų43.545%0.44823%0.227SC..Hα-helixtrans-61.5-48.6170.8-170.8-172.7-173.6-56.80110.6Q53 E145 V150 T151 D152Q53-K148 VanDerWaalsContact CD-NZ 3.3Å; E145-K148 PolarHBondContact O-N 3.09Å; K148-V150 PolarHBondContact O-N 3.45Å; K148-T151 PolarHBondContact O-N 2.9Å; K148-D152 IonicContact NZ-OD2 2.84Å; K148-D152 PolarHBondContact NZ-OD2 2.92Å; K148-D152 PolarHBondContact O-N 2.87Å
149L98.3Very high96Very high2 Ų242 Ų421%0.0122%0.222CC..Hα-helixtrans-61.1-44.8-178.6177.860.1000112L41 I49 W52 V56 P86 E145 M146 S153L41-L149 HydrophobicContact CD1-CD2 3.79Å; I49-L149 HydrophobicContact CB-CD2 4.44Å; I49-L149 HydrophobicContact CG2-CB 4.4Å; I49-L149 HydrophobicContact CG2-CD2 4.05Å; W52-L149 HydrophobicContact CB-CD1 3.79Å; W52-L149 HydrophobicContact CB-CD2 3.86Å; V56-L149 HydrophobicContact CG2-CD1 4.22Å; P86-L149 HydrophobicContact CB-CD1 4.04Å; P86-L149 HydrophobicContact CB-CG 4.35Å; P86-L149 HydrophobicContact CG-CD1 4.47Å; P86-L149 HydrophobicContact CG-CD2 4.35Å; E145-L149 PolarHBondContact O-N 2.91Å; E145-L149 VanDerWaalsContact O-N 3.08Å; M146-L149 PolarHBondContact O-N 2.96Å; M146-L149 HydrophobicContact SD-CD2 4.31Å; L149-S153 WeakPolarHBondContact O-CB 3.46Å; L149-S153 PolarHBondContact O-N 3.38Å; L149-S153 PolarHBondContact O-OG 2.97Å
150V98Very high96.1Very high13 Ų1340.7 Ų40.78%0.07922%0.219CC..Hα-helixtrans-61.6-47.9176.51700000110.7V85 I121 M146 K148 S153 L154V85-V150 HydrophobicContact CG2-CG2 4.34Å; I121-V150 HydrophobicContact CG2-CG1 3.79Å; M146-V150 HydrophobicContact CE-CG2 3.77Å; M146-V150 HydrophobicContact CG-CG2 4.29Å; M146-V150 WeakPolarHBondContact O-CB 3.08Å; M146-V150 VanDerWaalsContact O-CG2 3.27Å; M146-V150 WeakPolarHBondContact O-CG2 3.47Å; M146-V150 PolarHBondContact O-N 3.47Å; M146-V150 HydrophobicContact SD-CG2 4.36Å; K148-V150 PolarHBondContact O-N 3.45Å; V150-S153 PolarHBondContact O-N 3.02Å; V150-L154 HydrophobicContact CG1-CD1 3.85Å; V150-L154 WeakPolarHBondContact O-CB 3.26Å; V150-L154 VanDerWaalsContact O-CG 3.26Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.43Å
151T97.9Very high96.3Very high35 Ų3543.6 Ų43.622%0.21523%0.232CC..Hα-helixtrans-57.7-52.8179.6-600000111M122 D147 K148 L154 K155 F165M122-T151 WeakPolarHBondContact CE-OG1 3.4Å; D147-T151 VanDerWaalsContact O-CB 3.3Å; D147-T151 WeakPolarHBondContact O-CB 3.38Å; D147-T151 PolarHBondContact O-N 3.38Å; D147-T151 PolarHBondContact O-OG1 3.4Å; K148-T151 PolarHBondContact O-N 2.9Å; T151-L154 PolarHBondContact O-N 2.7Å; T151-K155 HydrophobicContact CG2-CD 4.46Å; T151-K155 WeakPolarHBondContact O-CG 3.33Å; T151-K155 PolarHBondContact O-N 2.91Å; T151-F165 HydrophobicContact CG2-CD2 4.13Å; T151-F165 HydrophobicContact CG2-CE2 3.54Å; T151-F165 HydrophobicContact CG2-CZ 4.23Å
152D98.1Very high96.5Very high20 Ų2047.5 Ų47.511%0.10725%0.245CC..Hα-helixtrans-70.4-36.9-175.9-66-18.7000112.1Q53 V56 K148 L154 K155 L156Q53-D152 PolarHBondContact NE2-OD2 3.25Å; V56-D152 HydrophobicContact CG1-CB 3.72Å; K148-D152 IonicContact NZ-OD2 2.84Å; K148-D152 PolarHBondContact NZ-OD2 2.92Å; K148-D152 PolarHBondContact O-N 2.87Å; D152-L154 VanDerWaalsContact C-N 3.32Å; D152-L154 PolarHBondContact O-N 3.3Å; D152-K155 PolarHBondContact O-N 3.36Å; D152-L156 WeakPolarHBondContact O-CB 3.31Å; D152-L156 PolarHBondContact O-N 3.09Å
153S98Very high96.7Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-63.8-38.9175.9-58.70000111.7P86 A89 L149 V150 L156 A157P86-S153 WeakPolarHBondContact CB-OG 3.32Å; A89-S153 WeakPolarHBondContact CB-O 3.25Å; L149-S153 WeakPolarHBondContact O-CB 3.46Å; L149-S153 PolarHBondContact O-N 3.38Å; L149-S153 PolarHBondContact O-OG 2.97Å; V150-S153 PolarHBondContact O-N 3.02Å; S153-L156 PolarHBondContact O-N 3.06Å; S153-A157 VanDerWaalsContact O-CB 3.27Å; S153-A157 WeakPolarHBondContact O-CB 3.28Å; S153-A157 PolarHBondContact O-N 3.22Å
154L98.2Very high96.9Very high0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-70.2-42.8176.7-72.5173.7000111.5L15 P16 V85 F117 V150 T151 D152 L156 A157 F158 F165L15-L154 HydrophobicContact CD2-CD2 3.95Å; P16-L154 HydrophobicContact CG-CD2 4Å; V85-L154 HydrophobicContact CG1-CD2 4.23Å; V85-L154 HydrophobicContact CG1-CG 4.39Å; F117-L154 HydrophobicContact CE2-CD1 3.63Å; F117-L154 HydrophobicContact CZ-CD1 3.83Å; V150-L154 HydrophobicContact CG1-CD1 3.85Å; V150-L154 WeakPolarHBondContact O-CB 3.26Å; V150-L154 VanDerWaalsContact O-CG 3.26Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.43Å; T151-L154 PolarHBondContact O-N 2.7Å; D152-L154 VanDerWaalsContact C-N 3.32Å; D152-L154 PolarHBondContact O-N 3.3Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.38Å; L154-A157 PolarHBondContact O-N 2.73Å; L154-F158 HydrophobicContact CB-CD2 4.18Å; L154-F158 HydrophobicContact CB-CE2 4.07Å; L154-F158 HydrophobicContact CD2-CE2 4.07Å; L154-F158 HydrophobicContact CD2-CZ 4.36Å; L154-F158 VanDerWaalsContact O-CB 3.31Å; L154-F158 WeakPolarHBondContact O-CB 3.06Å; L154-F158 WeakPolarHBondContact O-CD2 3.46Å; L154-F158 VanDerWaalsContact O-CG 3.29Å; L154-F158 WeakPolarHBondContact O-CG 3.39Å; L154-F158 PolarHBondContact O-N 3.37Å; L154-F165 HydrophobicContact CB-CE1 4.01Å; L154-F165 HydrophobicContact CB-CZ 3.78Å; L154-F165 HydrophobicContact CD1-CE1 3.78Å; L154-F165 HydrophobicContact CD1-CZ 4.26Å
155K97.9Very high97.1Very high45 Ų4544.6 Ų44.620%0.19622%0.222CC..Hα-helixtrans-56.4-43.7172.4-73.4-176.9171.7-158.50111.7T151 D152 Q159 K160 D161 L163 F165T151-K155 HydrophobicContact CG2-CD 4.46Å; T151-K155 WeakPolarHBondContact O-CG 3.33Å; T151-K155 PolarHBondContact O-N 2.91Å; D152-K155 PolarHBondContact O-N 3.36Å; K155-Q159 WeakPolarHBondContact O-CA 3.37Å; K155-Q159 PolarHBondContact O-N 2.84Å; K155-K160 WeakPolarHBondContact CG-O 3.4Å; K155-K160 PolarHBondContact O-N 3.45Å; K155-D161 WeakPolarHBondContact CD-O 3.48Å; K155-D161 WeakPolarHBondContact CE-O 3.49Å; K155-D161 PolarHBondContact NZ-O 3.03Å; K155-L163 HydrophobicContact CG-CB 4.21Å; K155-F165 HydrophobicContact CD-CE2 4.41Å; K155-F165 HydrophobicContact CG-CE2 3.94Å; K155-F165 HydrophobicContact CG-CZ 4.26Å
156L96.7Very high97.2Very high29 Ų2941.3 Ų41.315%0.15221%0.208CC..Hα-helixtrans-64.3-49.6175.7-179.360000111.8V56 V59 R60 A89 F90 D152 S153 L154 F158 Q159V56-L156 HydrophobicContact CG1-CD2 4.28Å; V56-L156 HydrophobicContact CG2-CD2 4.45Å; V59-L156 HydrophobicContact CB-CD2 4.26Å; V59-L156 HydrophobicContact CG1-CD1 3.73Å; V59-L156 HydrophobicContact CG1-CD2 4.01Å; V59-L156 HydrophobicContact CG1-CG 4.49Å; R60-L156 HydrophobicContact CG-CD1 4.28Å; A89-L156 HydrophobicContact CB-CB 4.17Å; A89-L156 HydrophobicContact CB-CD2 3.87Å; A89-L156 HydrophobicContact CB-CG 3.98Å; F90-L156 HydrophobicContact CE1-CD2 4.28Å; F90-L156 HydrophobicContact CE2-CD2 4.46Å; F90-L156 HydrophobicContact CZ-CD2 4.06Å; D152-L156 WeakPolarHBondContact O-CB 3.31Å; D152-L156 PolarHBondContact O-N 3.09Å; S153-L156 PolarHBondContact O-N 3.06Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.38Å; L156-F158 VanDerWaalsContact C-N 3.3Å; L156-F158 PolarHBondContact O-N 2.95Å; L156-Q159 PolarHBondContact O-N 3.19Å
157A96.3Very high97.2Very high6 Ų643.5 Ų43.55%0.0522%0.22CC..Hα-helixtrans-60.4-38.8179.100000112.6L15 A89 S153 L154 Q159 H178L15-A157 HydrophobicContact CD2-CB 4.37Å; A89-A157 HydrophobicContact CB-CB 4.02Å; S153-A157 VanDerWaalsContact O-CB 3.27Å; S153-A157 WeakPolarHBondContact O-CB 3.28Å; S153-A157 PolarHBondContact O-N 3.22Å; L154-A157 PolarHBondContact O-N 2.73Å; A157-Q159 VanDerWaalsContact C-N 3.31Å; A157-H178 PolarHBondContact O-CE1 2.64Å; A157-H178 PolarHBondContact O-ND1 2.87Å
158F96.8Very high97.3Very high10 Ų1043 Ų434%0.04422%0.217CC..Hα-helixtrans-81.7-8.4176.6-64-45.1000113.7L15 W113 L154 L156 K160 L163 L171 C174 H178L15-F158 HydrophobicContact CD1-CE1 3.58Å; L15-F158 HydrophobicContact CD1-CZ 3.85Å; L15-F158 HydrophobicContact CD2-CE1 4.14Å; L15-F158 HydrophobicContact CD2-CZ 4.2Å; W113-F158 HydrophobicContact CH2-CZ 4.2Å; W113-F158 HydrophobicContact CZ2-CZ 4.43Å; L154-F158 HydrophobicContact CB-CD2 4.18Å; L154-F158 HydrophobicContact CB-CE2 4.07Å; L154-F158 HydrophobicContact CD2-CE2 4.07Å; L154-F158 HydrophobicContact CD2-CZ 4.36Å; L154-F158 VanDerWaalsContact O-CB 3.31Å; L154-F158 WeakPolarHBondContact O-CB 3.06Å; L154-F158 WeakPolarHBondContact O-CD2 3.46Å; L154-F158 VanDerWaalsContact O-CG 3.29Å; L154-F158 WeakPolarHBondContact O-CG 3.39Å; L154-F158 PolarHBondContact O-N 3.37Å; L156-F158 VanDerWaalsContact C-N 3.3Å; L156-F158 PolarHBondContact O-N 2.95Å; F158-K160 HydrophobicContact CB-CB 4.35Å; F158-K160 PolarHBondContact O-N 2.82Å; F158-L163 HydrophobicContact CD2-CD2 3.58Å; F158-L163 HydrophobicContact CE2-CD2 4.14Å; F158-L171 HydrophobicContact CE2-CD2 4.36Å; F158-C174 HydrophobicContact CB-CB 4.07Å; F158-C174 HydrophobicContact CD1-CB 3.62Å; F158-C174 HydrophobicContact CD2-CB 4.08Å; F158-C174 HydrophobicContact CE1-CB 3.97Å; F158-C174 HydrophobicContact CE2-CB 4.39Å; F158-C174 HydrophobicContact CG-CB 3.68Å; F158-C174 HydrophobicContact CZ-CB 4.34Å; F158-H178 HydrophobicContact CD1-CB 4.04Å; F158-H178 HydrophobicContact CE1-CB 4.14Å
159Q94.9Very high97.4Very high121 Ų12141.3 Ų41.357%0.56522%0.223SC*.THydrogen-bonded Turntrans52.144.9-173.4-59.416845.300111.2K155 L156 A157K155-Q159 WeakPolarHBondContact O-CA 3.37Å; K155-Q159 PolarHBondContact O-N 2.84Å; L156-Q159 PolarHBondContact O-N 3.19Å; A157-Q159 VanDerWaalsContact C-N 3.31Å
160K96.7Very high97.4Very high50 Ų5043.2 Ų43.222%0.21723%0.232CC..  trans-14390.7-175.5-166.5171.9176.250.30111.3K155 F158 D162 L163 M170K155-K160 WeakPolarHBondContact CG-O 3.4Å; K155-K160 PolarHBondContact O-N 3.45Å; F158-K160 HydrophobicContact CB-CB 4.35Å; F158-K160 PolarHBondContact O-N 2.82Å; K160-D162 VanDerWaalsContact C-N 3.32Å; K160-D162 WeakPolarHBondContact CG-OD1 3.29Å; K160-D162 IonicContact NZ-OD1 3.63Å; K160-D162 PolarHBondContact NZ-OD1 3.15Å; K160-D162 IonicContact NZ-OD2 3.73Å; K160-D162 PolarHBondContact NZ-OD2 3.37Å; K160-D162 PolarHBondContact O-N 3.32Å; K160-L163 HydrophobicContact CB-CB 4.25Å; K160-L163 HydrophobicContact CD-CB 4.3Å; K160-L163 HydrophobicContact CD-CD1 4.38Å; K160-L163 HydrophobicContact CG-CB 4.05Å; K160-L163 VanDerWaalsContact O-CB 3.25Å; K160-L163 WeakPolarHBondContact O-CB 3.3Å; K160-L163 PolarHBondContact O-N 3.44Å; K160-M170 HydrophobicContact CD-CG 4.32Å; K160-M170 HydrophobicContact CD-SD 4.12Å; K160-M170 WeakPolarHBondContact CE-SD 3.49Å
161D95.3Very high97.4Very high84 Ų8442.6 Ų42.645%0.44923%0.229SC..THydrogen-bonded Turntrans-68.6-30.4-178.9-87-5000113.3R60 K155 L163R60-D161 IonicContact CZ-OD1 2.61Å; R60-D161 IonicContact CZ-OD2 3.62Å; R60-D161 IonicContact NE-OD1 3.66Å; R60-D161 PolarHBondContact NE-OD1 3.2Å; R60-D161 IonicContact NE-OD2 2.66Å; R60-D161 IonicContact NH2-OD1 2.92Å; R60-D161 PolarHBondContact NH2-OD1 2.88Å; R60-D161 IonicContact NH2-OD2 3.11Å; R60-D161 PolarHBondContact NH2-OD2 2.83Å; K155-D161 WeakPolarHBondContact CD-O 3.48Å; K155-D161 WeakPolarHBondContact CE-O 3.49Å; K155-D161 PolarHBondContact NZ-O 3.03Å; D161-L163 VanDerWaalsContact C-N 3.27Å; D161-L163 PolarHBondContact O-N 3.1Å
162D96.2Very high97.4Very high116 Ų11642.2 Ų42.262%0.6223%0.225SC*.THydrogen-bonded Turntrans-89.416.1176.869.7-35.6000112.7K160 D164K160-D162 VanDerWaalsContact C-N 3.32Å; K160-D162 WeakPolarHBondContact CG-OD1 3.29Å; K160-D162 IonicContact NZ-OD1 3.63Å; K160-D162 PolarHBondContact NZ-OD1 3.15Å; K160-D162 IonicContact NZ-OD2 3.73Å; K160-D162 PolarHBondContact NZ-OD2 3.37Å; K160-D162 PolarHBondContact O-N 3.32Å; D162-D164 PolarHBondContact O-N 2.79Å; D162-D164 VanDerWaalsContact O-N 3.13Å
163L97.4Very high97.4Very high6 Ų647.5 Ų47.53%0.03125%0.249CC..  trans-57.7118.4176.5174.960.7000110.2K155 F158 K160 D161 F165 M170 L171K155-L163 HydrophobicContact CG-CB 4.21Å; F158-L163 HydrophobicContact CD2-CD2 3.58Å; F158-L163 HydrophobicContact CE2-CD2 4.14Å; K160-L163 HydrophobicContact CB-CB 4.25Å; K160-L163 HydrophobicContact CD-CB 4.3Å; K160-L163 HydrophobicContact CD-CD1 4.38Å; K160-L163 HydrophobicContact CG-CB 4.05Å; K160-L163 VanDerWaalsContact O-CB 3.25Å; K160-L163 WeakPolarHBondContact O-CB 3.3Å; K160-L163 PolarHBondContact O-N 3.44Å; D161-L163 VanDerWaalsContact C-N 3.27Å; D161-L163 PolarHBondContact O-N 3.1Å; L163-F165 HydrophobicContact CD2-CD1 4.28Å; L163-F165 HydrophobicContact CD2-CD2 4.43Å; L163-F165 HydrophobicContact CD2-CE1 3.75Å; L163-F165 HydrophobicContact CD2-CE2 3.9Å; L163-F165 HydrophobicContact CD2-CZ 3.55Å; L163-F165 HydrophobicContact CG-CD2 4.29Å; L163-F165 HydrophobicContact CG-CE1 4.5Å; L163-F165 HydrophobicContact CG-CE2 4.15Å; L163-F165 HydrophobicContact CG-CZ 4.27Å; L163-M170 HydrophobicContact CD1-CG 3.76Å; L163-M170 HydrophobicContact CD1-SD 3.76Å; L163-L171 HydrophobicContact CD1-CD2 4.09Å; L163-L171 HydrophobicContact CD2-CD2 4.05Å; L163-L171 HydrophobicContact CG-CD2 4.45Å
164D97.8Very high97.4Very high81 Ų8148 Ų4843%0.43325%0.252SS..  trans-82.5110.7166.2-174.3-6.4000108.4D162 D166 D167 M170D162-D164 PolarHBondContact O-N 2.79Å; D162-D164 VanDerWaalsContact O-N 3.13Å; D164-D166 PolarHBondContact O-N 3.3Å; D164-D166 PolarHBondContact OD1-N 2.67Å; D164-D167 HydrophobicContact CB-CB 4.18Å; D164-D167 PolarHBondContact O-N 2.97Å; D164-M170 HydrophobicContact CB-SD 4.3Å
165F97.9Very high97.4Very high21 Ų2148.3 Ų48.39%0.09225%0.254CS..THydrogen-bonded Turntrans-72.9-10.9178.6-79.4-84.8000112.9F117 R118 M122 T151 L154 K155 L163 L171F117-F165 HydrophobicContact CE1-CD1 4.45Å; F117-F165 HydrophobicContact CZ-CD1 4.23Å; F117-F165 HydrophobicContact CZ-CE1 4.3Å; R118-F165 PolarHBondContact NH1-O 3.25Å; R118-F165 PolarHBondContact NH2-O 3.46Å; M122-F165 HydrophobicContact CE-CD1 4.11Å; M122-F165 HydrophobicContact CE-CE1 4.3Å; M122-F165 HydrophobicContact CE-CG 4.32Å; M122-F165 HydrophobicContact SD-CB 3.53Å; M122-F165 VanDerWaalsContact SD-CB 3.53Å; M122-F165 HydrophobicContact SD-CD1 3.38Å; M122-F165 WeakPolarHBondContact SD-CD1 3.5Å; M122-F165 HydrophobicContact SD-CD2 4.29Å; M122-F165 HydrophobicContact SD-CE1 4.14Å; M122-F165 HydrophobicContact SD-CG 3.47Å; M122-F165 WeakPolarHBondContact SD-CG 3.35Å; T151-F165 HydrophobicContact CG2-CD2 4.13Å; T151-F165 HydrophobicContact CG2-CE2 3.54Å; T151-F165 HydrophobicContact CG2-CZ 4.23Å; L154-F165 HydrophobicContact CB-CE1 4.01Å; L154-F165 HydrophobicContact CB-CZ 3.78Å; L154-F165 HydrophobicContact CD1-CE1 3.78Å; L154-F165 HydrophobicContact CD1-CZ 4.26Å; K155-F165 HydrophobicContact CD-CE2 4.41Å; K155-F165 HydrophobicContact CG-CE2 3.94Å; K155-F165 HydrophobicContact CG-CZ 4.26Å; L163-F165 HydrophobicContact CD2-CD1 4.28Å; L163-F165 HydrophobicContact CD2-CD2 4.43Å; L163-F165 HydrophobicContact CD2-CE1 3.75Å; L163-F165 HydrophobicContact CD2-CE2 3.9Å; L163-F165 HydrophobicContact CD2-CZ 3.55Å; L163-F165 HydrophobicContact CG-CD2 4.29Å; L163-F165 HydrophobicContact CG-CE1 4.5Å; L163-F165 HydrophobicContact CG-CE2 4.15Å; L163-F165 HydrophobicContact CG-CZ 4.27Å; F165-L171 HydrophobicContact CD1-CD2 3.91Å; F165-L171 HydrophobicContact CE1-CD2 4.17Å; F165-L171 WeakPolarHBondContact O-CD1 3.47Å
166D97.9Very high97.3Very high52 Ų5250.5 Ų50.528%0.27826%0.264SS..THydrogen-bonded Turntrans-86.7-16173.9-73-32.2000113R118 K124 S125 D164 D168R118-D166 PolarHBondContact NH2-O 2.92Å; K124-D166 WeakPolarHBondContact CA-OD1 3.1Å; K124-D166 WeakPolarHBondContact CB-OD1 3.46Å; K124-D166 VanDerWaalsContact CE-O 3.29Å; K124-D166 WeakPolarHBondContact CE-O 3.45Å; S125-D166 WeakPolarHBondContact CB-OD2 3.31Å; S125-D166 PolarHBondContact N-OD1 3.41Å; S125-D166 PolarHBondContact OG-OD2 3.46Å; D164-D166 PolarHBondContact O-N 3.3Å; D164-D166 PolarHBondContact OD1-N 2.67Å; D166-D168 PolarHBondContact O-N 2.95Å
167D98Very high97.2Very high60 Ų6055 Ų5532%0.32128%0.283SS..  trans-82.899.9175.9-172-18.6000111.4D164 A169 M170 L171D164-D167 HydrophobicContact CB-CB 4.18Å; D164-D167 PolarHBondContact O-N 2.97Å; D167-A169 VanDerWaalsContact C-N 3.3Å; D167-A169 PolarHBondContact O-N 2.69Å; D167-A169 WeakPolarHBondContact OD1-CA 3.48Å; D167-A169 WeakPolarHBondContact OD1-CB 3.47Å; D167-A169 PolarHBondContact OD1-N 2.9Å; D167-M170 HydrophobicContact CB-CB 3.78Å; D167-M170 VanDerWaalsContact CG-CB 3.5Å; D167-M170 PolarHBondContact O-N 2.98Å; D167-M170 PolarHBondContact OD1-N 3.37Å; D167-L171 PolarHBondContact O-N 3.39Å
168D98.4Very high97.1Very high48 Ų4855 Ų5526%0.25728%0.282SS..Hα-helixtrans-61.7-35.4177.3-75.6-17.7000113.3L114 R118 K124 D166 L171 I172L114-D168 HydrophobicContact CD2-CB 3.7Å; R118-D168 IonicContact CZ-OD1 3.31Å; R118-D168 VanDerWaalsContact CZ-OD1 3.23Å; R118-D168 IonicContact NE-OD1 3.19Å; R118-D168 PolarHBondContact NE-OD1 2.91Å; R118-D168 IonicContact NH2-OD1 3.59Å; R118-D168 PolarHBondContact NH2-OD1 3.41Å; K124-D168 WeakPolarHBondContact CE-OD1 3.34Å; K124-D168 WeakPolarHBondContact CE-OD2 3.25Å; K124-D168 VanDerWaalsContact NZ-CG 3.31Å; K124-D168 IonicContact NZ-OD1 3.59Å; K124-D168 IonicContact NZ-OD2 2.75Å; K124-D168 PolarHBondContact NZ-OD2 2.68Å; D166-D168 PolarHBondContact O-N 2.95Å; D168-L171 PolarHBondContact O-N 3.37Å; D168-I172 WeakPolarHBondContact O-CB 3.4Å; D168-I172 WeakPolarHBondContact O-CG1 3.4Å; D168-I172 PolarHBondContact O-N 3.17Å
169A98.3Very high96.9Very high68 Ų6855.4 Ų55.456%0.56228%0.284SS*.Hα-helixtrans-68.6-42.9-179.900000109.8D167 I172 E173D167-A169 VanDerWaalsContact C-N 3.3Å; D167-A169 PolarHBondContact O-N 2.69Å; D167-A169 WeakPolarHBondContact OD1-CA 3.48Å; D167-A169 WeakPolarHBondContact OD1-CB 3.47Å; D167-A169 PolarHBondContact OD1-N 2.9Å; A169-I172 PolarHBondContact O-N 3.36Å; A169-E173 WeakPolarHBondContact O-CB 3.15Å; A169-E173 PolarHBondContact O-N 3.38Å
170M98.3Very high96.8Very high43 Ų4355.4 Ų55.421%0.21228%0.282CS..Hα-helixtrans-62.7-42.6174.8-169.7178.6-62.800112.1K160 L163 D164 D167 E173 C174K160-M170 HydrophobicContact CD-CG 4.32Å; K160-M170 HydrophobicContact CD-SD 4.12Å; K160-M170 WeakPolarHBondContact CE-SD 3.49Å; L163-M170 HydrophobicContact CD1-CG 3.76Å; L163-M170 HydrophobicContact CD1-SD 3.76Å; D164-M170 HydrophobicContact CB-SD 4.3Å; D167-M170 HydrophobicContact CB-CB 3.78Å; D167-M170 VanDerWaalsContact CG-CB 3.5Å; D167-M170 PolarHBondContact O-N 2.98Å; D167-M170 PolarHBondContact OD1-N 3.37Å; M170-E173 PolarHBondContact O-N 3.27Å; M170-C174 WeakPolarHBondContact O-CB 3.21Å; M170-C174 PolarHBondContact O-N 2.96Å; M170-C174 PolarHBondContact O-SG 3.03Å
171L98.1Very high96.6Very high0 Ų054.2 Ų54.20%028%0.279CS..Hα-helixtrans-63.3-42.1176.2-81175.8000112.5W113 L114 F117 F158 L163 F165 D167 D168 C174 Y175W113-L171 HydrophobicContact CZ3-CB 4.5Å; L114-L171 HydrophobicContact CD1-CB 4.27Å; L114-L171 HydrophobicContact CD1-CD1 4.09Å; F117-L171 HydrophobicContact CD1-CD1 4.41Å; F117-L171 HydrophobicContact CE1-CD1 4.09Å; F158-L171 HydrophobicContact CE2-CD2 4.36Å; L163-L171 HydrophobicContact CD1-CD2 4.09Å; L163-L171 HydrophobicContact CD2-CD2 4.05Å; L163-L171 HydrophobicContact CG-CD2 4.45Å; F165-L171 HydrophobicContact CD1-CD2 3.91Å; F165-L171 HydrophobicContact CE1-CD2 4.17Å; F165-L171 WeakPolarHBondContact O-CD1 3.47Å; D167-L171 PolarHBondContact O-N 3.39Å; D168-L171 PolarHBondContact O-N 3.37Å; L171-C174 PolarHBondContact O-N 3.38Å; L171-Y175 WeakPolarHBondContact O-CB 3.49Å; L171-Y175 PolarHBondContact O-N 3.35Å
172I98.3Very high96.3Very high27 Ų2750.2 Ų50.214%0.13826%0.258CS..Hα-helixtrans-63.1-45.3175.9-75.6171.5000110.6K110 L114 D168 A169 C174 Y175 E176K110-I172 HydrophobicContact CD-CG2 3.82Å; K110-I172 HydrophobicContact CG-CG2 4.31Å; L114-I172 HydrophobicContact CB-CG1 4.42Å; L114-I172 HydrophobicContact CD2-CD1 3.68Å; L114-I172 HydrophobicContact CD2-CG1 3.96Å; D168-I172 WeakPolarHBondContact O-CB 3.4Å; D168-I172 WeakPolarHBondContact O-CG1 3.4Å; D168-I172 PolarHBondContact O-N 3.17Å; A169-I172 PolarHBondContact O-N 3.36Å; I172-C174 VanDerWaalsContact C-N 3.33Å; I172-C174 PolarHBondContact O-N 2.85Å; I172-Y175 WeakPolarHBondContact O-CB 3.5Å; I172-Y175 PolarHBondContact O-N 3.43Å; I172-E176 HydrophobicContact CG2-CG 4.49Å; I172-E176 WeakPolarHBondContact O-CG 3.05Å; I172-E176 PolarHBondContact O-N 3Å
173E98Very high95.8Very high130 Ų13050.6 Ų50.661%0.60726%0.256SS*.Hα-helixtrans-60.8-44.2177.6-173.9-178.4-178.900111.2A169 M170 Y175 E176 K177A169-E173 WeakPolarHBondContact O-CB 3.15Å; A169-E173 PolarHBondContact O-N 3.38Å; M170-E173 PolarHBondContact O-N 3.27Å; E173-Y175 PolarHBondContact O-N 3.01Å; E173-E176 PolarHBondContact O-N 2.85Å; E173-K177 WeakPolarHBondContact O-CB 3.31Å; E173-K177 PolarHBondContact O-N 3.47Å
174C97.9Very high95.5Very high11 Ų1156.1 Ų56.17%0.07428%0.281CS..Hα-helixtrans-61-43.1175.6-710000111.8F158 M170 L171 I172 H178F158-C174 HydrophobicContact CB-CB 4.07Å; F158-C174 HydrophobicContact CD1-CB 3.62Å; F158-C174 HydrophobicContact CD2-CB 4.08Å; F158-C174 HydrophobicContact CE1-CB 3.97Å; F158-C174 HydrophobicContact CE2-CB 4.39Å; F158-C174 HydrophobicContact CG-CB 3.68Å; F158-C174 HydrophobicContact CZ-CB 4.34Å; M170-C174 WeakPolarHBondContact O-CB 3.21Å; M170-C174 PolarHBondContact O-N 2.96Å; M170-C174 PolarHBondContact O-SG 3.03Å; L171-C174 PolarHBondContact O-N 3.38Å; I172-C174 VanDerWaalsContact C-N 3.33Å; I172-C174 PolarHBondContact O-N 2.85Å; C174-H178 WeakPolarHBondContact O-CB 3.12Å; C174-H178 PolarHBondContact O-N 2.57Å
175Y97.6Very high95.2Very high7 Ų757.4 Ų57.43%0.02729%0.288CS..Hα-helixtrans-59.5-52.2175.6-178.5-94000111.7L15 R108 K110 W113 L171 I172 E173 K177 H178 M179L15-Y175 HydrophobicContact CD1-CD2 3.47Å; L15-Y175 VanDerWaalsContact CD1-CD2 3.47Å; L15-Y175 HydrophobicContact CD1-CE2 3.83Å; R108-Y175 PolarHBondContact N-OH 2.96Å; R108-Y175 PolarHBondContact O-OH 3.46Å; R108-Y175 VanDerWaalsContact O-OH 3.14Å; K110-Y175 HydrophobicContact CB-CD1 4Å; K110-Y175 HydrophobicContact CB-CE1 4.25Å; W113-Y175 HydrophobicContact CB-CE2 4.29Å; W113-Y175 AromaticContact CD1-CE2 3.61Å; W113-Y175 AromaticContact CD2-CD2 3.39Å; W113-Y175 HydrophobicContact CD2-CD2 3.39Å; W113-Y175 AromaticContact CD2-CE2 3.64Å; W113-Y175 HydrophobicContact CD2-CE2 3.64Å; W113-Y175 HydrophobicContact CD2-CG 4.04Å; W113-Y175 AromaticContact CE2-CD2 3.49Å; W113-Y175 VanDerWaalsContact CE2-CD2 3.49Å; W113-Y175 AromaticContact CE2-CE2 3.76Å; W113-Y175 AromaticContact CE3-CD2 3.67Å; W113-Y175 HydrophobicContact CE3-CD2 3.67Å; W113-Y175 HydrophobicContact CE3-CE2 4.31Å; W113-Y175 AromaticContact CE3-CG 3.87Å; W113-Y175 HydrophobicContact CE3-CG 3.87Å; W113-Y175 AromaticContact CG-CD2 3.87Å; W113-Y175 HydrophobicContact CG-CD2 3.87Å; W113-Y175 AromaticContact CG-CE2 3.57Å; W113-Y175 HydrophobicContact CG-CE2 3.57Å; W113-Y175 HydrophobicContact CH2-CD2 4.13Å; W113-Y175 AromaticContact CZ2-CD2 3.88Å; W113-Y175 HydrophobicContact CZ2-CD2 3.88Å; W113-Y175 HydrophobicContact CZ3-CD2 4.03Å; W113-Y175 HydrophobicContact CZ3-CG 4.17Å; W113-Y175 AromaticContact NE1-CD2 3.94Å; W113-Y175 AromaticContact NE1-CE2 3.71Å; L171-Y175 WeakPolarHBondContact O-CB 3.49Å; L171-Y175 PolarHBondContact O-N 3.35Å; I172-Y175 WeakPolarHBondContact O-CB 3.5Å; I172-Y175 PolarHBondContact O-N 3.43Å; E173-Y175 PolarHBondContact O-N 3.01Å; Y175-K177 PolarHBondContact O-N 2.91Å; Y175-H178 PolarHBondContact O-N 3.48Å; Y175-M179 HydrophobicContact CD1-CG 4.37Å; Y175-M179 HydrophobicContact CE1-CG 4Å; Y175-M179 WeakPolarHBondContact O-CG 3.4Å; Y175-M179 PolarHBondContact O-N 2.92Å
176E96.5Very high94.9Very high90 Ų9056.8 Ų56.842%0.42129%0.286SS..Hα-helixtrans-63-43.7-179.5-69.7-174.3119.100111.8K110 I172 E173 H178 M179 K180K110-E176 VanDerWaalsContact CD-CD 3.42Å; K110-E176 HydrophobicContact CD-CG 3.94Å; K110-E176 WeakPolarHBondContact CD-OE1 3.29Å; K110-E176 WeakPolarHBondContact CE-OE1 3.4Å; K110-E176 IonicContact NZ-OE1 3.18Å; K110-E176 PolarHBondContact NZ-OE1 2.88Å; K110-E176 IonicContact NZ-OE2 3.9Å; K110-E176 PolarHBondContact NZ-OE2 3.24Å; I172-E176 HydrophobicContact CG2-CG 4.49Å; I172-E176 WeakPolarHBondContact O-CG 3.05Å; I172-E176 PolarHBondContact O-N 3Å; E173-E176 PolarHBondContact O-N 2.85Å; E176-H178 VanDerWaalsContact C-N 3.35Å; E176-H178 PolarHBondContact O-N 3.43Å; E176-M179 PolarHBondContact O-N 3.16Å; E176-K180 WeakPolarHBondContact O-CB 3.26Å; E176-K180 PolarHBondContact O-N 2.93Å
177K95.6Very high94.6Very high123 Ų12357.1 Ų57.154%0.53529%0.291SS..Hα-helixtrans-61.7-43176.1-177.1-177.4176.7-171.80111.6E173 Y175 K180 T181E173-K177 WeakPolarHBondContact O-CB 3.31Å; E173-K177 PolarHBondContact O-N 3.47Å; Y175-K177 PolarHBondContact O-N 2.91Å; K177-K180 PolarHBondContact O-N 3.03Å; K177-T181 WeakPolarHBondContact O-CB 3.41Å; K177-T181 PolarHBondContact O-N 3Å; K177-T181 PolarHBondContact O-OG1 3.33Å
178H93.9Very high94.3Very high8 Ų858.9 Ų58.94%0.03731%0.308CS..Hα-helixtrans-59.6-51.8177.6-17278.2000110.1A157 F158 C174 Y175 E176 K180 T181 F182A157-H178 PolarHBondContact O-CE1 2.64Å; A157-H178 PolarHBondContact O-ND1 2.87Å; F158-H178 HydrophobicContact CD1-CB 4.04Å; F158-H178 HydrophobicContact CE1-CB 4.14Å; C174-H178 WeakPolarHBondContact O-CB 3.12Å; C174-H178 PolarHBondContact O-N 2.57Å; Y175-H178 PolarHBondContact O-N 3.48Å; E176-H178 VanDerWaalsContact C-N 3.35Å; E176-H178 PolarHBondContact O-N 3.43Å; H178-K180 PolarHBondContact O-N 3.42Å; H178-T181 WeakPolarHBondContact O-CB 3.46Å; H178-T181 PolarHBondContact O-N 2.94Å; H178-T181 VanDerWaalsContact O-N 3.15Å; H178-F182 AromaticContact CD2-CE2 3.78Å; H178-F182 AromaticContact CE1-CE2 3.47Å; H178-F182 VanDerWaalsContact CE1-CE2 3.47Å; H178-F182 WeakPolarHBondContact CE1-CE2 3.36Å; H178-F182 AromaticContact ND1-CE2 3.92Å; H178-F182 AromaticContact NE2-CE2 3.37Å; H178-F182 WeakPolarHBondContact NE2-CE2 3.24Å; H178-F182 VanDerWaalsContact O-CD2 3.27Å; H178-F182 WeakPolarHBondContact O-CD2 3.32Å; H178-F182 PolarHBondContact O-N 2.9Å
179M92.9Very high94.1Very high17 Ų1763.1 Ų63.18%0.08433%0.326CS..Hα-helixtrans-55.8-47.1177.5-63.8-59.19500112.7L15 L105 V107 Y175 E176 T181 F182 Q183L15-M179 HydrophobicContact CD1-CE 4.15Å; L105-M179 HydrophobicContact CD1-CE 3.75Å; L105-M179 HydrophobicContact CD1-SD 4.14Å; L105-M179 HydrophobicContact CD2-CE 4.34Å; L105-M179 HydrophobicContact CD2-SD 3.87Å; L105-M179 HydrophobicContact CG-CE 4.33Å; L105-M179 HydrophobicContact CG-SD 4.06Å; V107-M179 HydrophobicContact CB-SD 4.29Å; V107-M179 HydrophobicContact CG1-SD 3.52Å; V107-M179 VanDerWaalsContact CG1-SD 3.52Å; Y175-M179 HydrophobicContact CD1-CG 4.37Å; Y175-M179 HydrophobicContact CE1-CG 4Å; Y175-M179 WeakPolarHBondContact O-CG 3.4Å; Y175-M179 PolarHBondContact O-N 2.92Å; E176-M179 PolarHBondContact O-N 3.16Å; M179-T181 VanDerWaalsContact C-N 3.33Å; M179-T181 PolarHBondContact O-N 3.12Å; M179-F182 PolarHBondContact O-N 2.85Å; M179-Q183 PolarHBondContact O-N 3.31Å
180K92.4Very high93.9Very high121 Ų12162.7 Ų62.753%0.52631%0.31SS..Hα-helixtrans-60.9-42.4178.6-178.6176.2171.2-179.10112E176 K177 H178 F182 Q183 E184E176-K180 WeakPolarHBondContact O-CB 3.26Å; E176-K180 PolarHBondContact O-N 2.93Å; K177-K180 PolarHBondContact O-N 3.03Å; H178-K180 PolarHBondContact O-N 3.42Å; K180-F182 VanDerWaalsContact C-N 3.28Å; K180-F182 PolarHBondContact O-N 2.55Å; K180-Q183 PolarHBondContact O-N 2.93Å; K180-Q183 VanDerWaalsContact O-N 3.15Å; K180-E184 WeakPolarHBondContact CE-OE1 3.46Å; K180-E184 HydrophobicContact CG-CG 4.39Å; K180-E184 IonicContact NZ-OE1 3.99Å; K180-E184 WeakPolarHBondContact O-CG 3.29Å; K180-E184 PolarHBondContact O-N 3.29Å
181T91.8Very high93.9Very high26 Ų2661.5 Ų61.516%0.1631%0.305CS..Hα-helixtrans-59.7-36.8179.9-58.50000112.1K177 H178 M179 N185K177-T181 WeakPolarHBondContact O-CB 3.41Å; K177-T181 PolarHBondContact O-N 3Å; K177-T181 PolarHBondContact O-OG1 3.33Å; H178-T181 WeakPolarHBondContact O-CB 3.46Å; H178-T181 PolarHBondContact O-N 2.94Å; H178-T181 VanDerWaalsContact O-N 3.15Å; M179-T181 VanDerWaalsContact C-N 3.33Å; M179-T181 PolarHBondContact O-N 3.12Å; T181-N185 VanDerWaalsContact CG2-ND2 3.28Å; T181-N185 WeakPolarHBondContact CG2-ND2 3.48Å; T181-N185 WeakPolarHBondContact O-CB 3.26Å; T181-N185 PolarHBondContact O-N 3.19Å; T181-N185 VanDerWaalsContact O-N 3.09Å; T181-N185 PolarHBondContact O-ND2 2.99Å
182F89.5Confident93.9Very high0 Ų062.7 Ų62.70%031%0.311CS..Hα-helixtrans-65-47175-84.7-87.8000112.3A13 Y91 L105 H178 M179 K180 E184 N185 I186 L191A13-F182 HydrophobicContact CB-CD1 4.13Å; A13-F182 HydrophobicContact CB-CE1 3.29Å; A13-F182 HydrophobicContact CB-CZ 3.57Å; Y91-F182 AromaticContact CD1-CE1 3.8Å; Y91-F182 HydrophobicContact CD1-CE1 3.8Å; Y91-F182 HydrophobicContact CD1-CE2 4.38Å; Y91-F182 AromaticContact CD1-CZ 3.37Å; Y91-F182 HydrophobicContact CD1-CZ 3.37Å; Y91-F182 HydrophobicContact CD2-CD1 4.41Å; Y91-F182 AromaticContact CD2-CE1 3.51Å; Y91-F182 HydrophobicContact CD2-CE1 3.51Å; Y91-F182 HydrophobicContact CD2-CZ 4Å; Y91-F182 HydrophobicContact CE1-CE1 4.02Å; Y91-F182 HydrophobicContact CE1-CE2 4.2Å; Y91-F182 AromaticContact CE1-CZ 3.52Å; Y91-F182 HydrophobicContact CE1-CZ 3.52Å; Y91-F182 HydrophobicContact CE2-CD1 4.35Å; Y91-F182 AromaticContact CE2-CE1 3.74Å; Y91-F182 HydrophobicContact CE2-CE1 3.74Å; Y91-F182 HydrophobicContact CE2-CZ 4.12Å; Y91-F182 AromaticContact CG-CE1 3.53Å; Y91-F182 HydrophobicContact CG-CE1 3.53Å; Y91-F182 AromaticContact CG-CZ 3.61Å; Y91-F182 HydrophobicContact CG-CZ 3.61Å; Y91-F182 AromaticContact CZ-CE1 3.97Å; Y91-F182 AromaticContact CZ-CZ 3.89Å; L105-F182 HydrophobicContact CD1-CD1 4.35Å; L105-F182 HydrophobicContact CD1-CD2 3.96Å; L105-F182 HydrophobicContact CD1-CE2 4.26Å; L105-F182 HydrophobicContact CD1-CG 4.05Å; L105-F182 HydrophobicContact CD2-CB 3.66Å; L105-F182 HydrophobicContact CD2-CD2 4.28Å; L105-F182 HydrophobicContact CD2-CG 3.96Å; H178-F182 AromaticContact CD2-CE2 3.78Å; H178-F182 AromaticContact CE1-CE2 3.47Å; H178-F182 VanDerWaalsContact CE1-CE2 3.47Å; H178-F182 WeakPolarHBondContact CE1-CE2 3.36Å; H178-F182 AromaticContact ND1-CE2 3.92Å; H178-F182 AromaticContact NE2-CE2 3.37Å; H178-F182 WeakPolarHBondContact NE2-CE2 3.24Å; H178-F182 VanDerWaalsContact O-CD2 3.27Å; H178-F182 WeakPolarHBondContact O-CD2 3.32Å; H178-F182 PolarHBondContact O-N 2.9Å; M179-F182 PolarHBondContact O-N 2.85Å; K180-F182 VanDerWaalsContact C-N 3.28Å; K180-F182 PolarHBondContact O-N 2.55Å; F182-E184 PolarHBondContact O-N 3.34Å; F182-N185 PolarHBondContact O-N 3Å; F182-I186 HydrophobicContact CD1-CD1 3.39Å; F182-I186 HydrophobicContact CD1-CG1 4.25Å; F182-I186 HydrophobicContact CE1-CD1 3.78Å; F182-I186 HydrophobicContact CG-CD1 4.49Å; F182-I186 PolarHBondContact O-N 3.38Å; F182-L191 HydrophobicContact CB-CD2 4.39Å
183Q86Confident93.8Very high123 Ų12363.7 Ų63.758%0.57532%0.318SS*.Hα-helixtrans-65.6-27.8-178.2-63.5-179.6-66.800112.4M179 K180 V193M179-Q183 PolarHBondContact O-N 3.31Å; K180-Q183 PolarHBondContact O-N 2.93Å; K180-Q183 VanDerWaalsContact O-N 3.15Å; Q183-V193 HydrophobicContact CG-CG2 4.11Å
184E90.5Very high93.8Very high122 Ų12257.6 Ų57.657%0.5729%0.289SS*.Hα-helixtrans-84.7-33.2178.4-70.2176.8161.100113.5K180 F182K180-E184 WeakPolarHBondContact CE-OE1 3.46Å; K180-E184 HydrophobicContact CG-CG 4.39Å; K180-E184 IonicContact NZ-OE1 3.99Å; K180-E184 WeakPolarHBondContact O-CG 3.29Å; K180-E184 PolarHBondContact O-N 3.29Å; F182-E184 PolarHBondContact O-N 3.34Å
185N90.8Very high93.7Very high108 Ų10863 Ų6358%0.57831%0.308SS*.Hα-helixtrans-108.5-13.4-168.5-65-60.8000115.1T181 F182T181-N185 VanDerWaalsContact CG2-ND2 3.28Å; T181-N185 WeakPolarHBondContact CG2-ND2 3.48Å; T181-N185 WeakPolarHBondContact O-CB 3.26Å; T181-N185 PolarHBondContact O-N 3.19Å; T181-N185 VanDerWaalsContact O-N 3.09Å; T181-N185 PolarHBondContact O-ND2 2.99Å; F182-N185 PolarHBondContact O-N 3Å
186I92.4Very high93.5Very high8 Ų866.3 Ų66.34%0.04132%0.323CS..SBendtrans-105.9126.5176.8-53.7-169.8000109.3Y91 M95 V103 F182 S188 R190 L191Y91-I186 HydrophobicContact CD2-CD1 3.87Å; Y91-I186 HydrophobicContact CE2-CD1 3.89Å; Y91-I186 HydrophobicContact CE2-CG1 4.3Å; M95-I186 HydrophobicContact CE-CD1 4.37Å; M95-I186 HydrophobicContact CE-CG1 4.39Å; M95-I186 HydrophobicContact CE-CG2 3.91Å; M95-I186 HydrophobicContact SD-CD1 3.76Å; M95-I186 HydrophobicContact SD-CG1 4.29Å; V103-I186 HydrophobicContact CB-CD1 4.46Å; V103-I186 HydrophobicContact CG1-CD1 4.01Å; V103-I186 HydrophobicContact CG2-CD1 4.36Å; F182-I186 HydrophobicContact CD1-CD1 3.39Å; F182-I186 HydrophobicContact CD1-CG1 4.25Å; F182-I186 HydrophobicContact CE1-CD1 3.78Å; F182-I186 HydrophobicContact CG-CD1 4.49Å; F182-I186 PolarHBondContact O-N 3.38Å; I186-S188 PolarHBondContact O-N 3.48Å; I186-R190 HydrophobicContact CG2-CB 4.24Å; I186-L191 HydrophobicContact CB-CB 4.2Å; I186-L191 HydrophobicContact CB-CD2 4.24Å; I186-L191 HydrophobicContact CG2-CB 3.8Å
187P91.8Very high93.4Very high59 Ų5969.1 Ų69.138%0.38334%0.336SS..  trans-54.9134.4175.8-23.732.6000111.9E189 R190 L191P187-E189 HydrophobicContact CB-CG 4.29Å; P187-E189 WeakPolarHBondContact CB-OE1 3.13Å; P187-E189 VanDerWaalsContact CB-OE2 3.3Å; P187-E189 WeakPolarHBondContact CB-OE2 3.42Å; P187-E189 PolarHBondContact O-N 2.95Å; P187-E189 VanDerWaalsContact O-N 3.13Å; P187-R190 WeakPolarHBondContact O-CA 3.17Å; P187-R190 PolarHBondContact O-N 3.37Å; P187-L191 PolarHBondContact O-N 3.37Å
188S91.5Very high93.5Very high98 Ų9866.3 Ų66.369%0.68533%0.327SS*.G310 helixtrans-58.7-28.9-173.161.30000113.9I186 R190 L191I186-S188 PolarHBondContact O-N 3.48Å; S188-R190 PolarHBondContact O-N 3.32Å; S188-L191 PolarHBondContact O-N 3.49Å; S188-L191 VanDerWaalsContact O-O 3.08Å
189E93.6Very high93.6Very high136 Ų13666.6 Ų66.664%0.63633%0.332SS*.G310 helixtrans-68.1-20.7175.465-86.1-160.700113.1P187P187-E189 HydrophobicContact CB-CG 4.29Å; P187-E189 WeakPolarHBondContact CB-OE1 3.13Å; P187-E189 VanDerWaalsContact CB-OE2 3.3Å; P187-E189 WeakPolarHBondContact CB-OE2 3.42Å; P187-E189 PolarHBondContact O-N 2.95Å; P187-E189 VanDerWaalsContact O-N 3.13Å
190R94.8Very high93.9Very high59 Ų5966.9 Ų66.922%0.22333%0.332CS..G310 helixtrans-104.8-5.6176.1-69.9-168.468.5-173.81.2113.3Y98 P99 A101 V103 I186 P187 S188 F206Y98-R190 PolarHBondContact O-NH2 3.39Å; P99-R190 PolarHBondContact O-NH1 3.12Å; P99-R190 PolarHBondContact O-NH2 3.29Å; P99-R190 VanDerWaalsContact O-NH2 3.1Å; A101-R190 PolarHBondContact O-NE 2.81Å; A101-R190 PolarHBondContact O-NH2 2.68Å; V103-R190 WeakPolarHBondContact CA-O 3.42Å; V103-R190 WeakPolarHBondContact CB-O 3.34Å; V103-R190 PolarHBondContact N-O 2.95Å; I186-R190 HydrophobicContact CG2-CB 4.24Å; P187-R190 WeakPolarHBondContact O-CA 3.17Å; P187-R190 PolarHBondContact O-N 3.37Å; S188-R190 PolarHBondContact O-N 3.32Å; R190-F206 WeakPolarHBondContact O-CZ 3.33Å
191L97.4Very high94.1Very high19 Ų1968.2 Ų68.210%0.09934%0.341CS..EExtended strand (participates in β ladder)trans-120.5123.4-175.6179.264.5000112.1V103 L105 F182 I186 P187 S188 V193V103-L191 HydrophobicContact CB-CD1 4.23Å; V103-L191 HydrophobicContact CG1-CD1 3.95Å; V103-L191 WeakPolarHBondContact O-CA 3.46Å; L105-L191 HydrophobicContact CB-CD1 3.95Å; F182-L191 HydrophobicContact CB-CD2 4.39Å; I186-L191 HydrophobicContact CB-CB 4.2Å; I186-L191 HydrophobicContact CB-CD2 4.24Å; I186-L191 HydrophobicContact CG2-CB 3.8Å; P187-L191 PolarHBondContact O-N 3.37Å; S188-L191 PolarHBondContact O-N 3.49Å; S188-L191 VanDerWaalsContact O-O 3.08Å; L191-V193 HydrophobicContact CD2-CG2 4.32Å; L191-V193 HydrophobicContact CG-CG2 4.44Å
192L97.7Very high94.4Very high25 Ų2568.7 Ų68.713%0.13135%0.345CS..EExtended strand (participates in β ladder)trans-106.4119.7161.8177.469.4000109.9V103 V104 L105 H194 L203 F206V103-L192 PolarHBondContact O-N 2.98Å; V104-L192 WeakPolarHBondContact CA-O 3.39Å; V104-L192 HydrophobicContact CG1-CD2 4.43Å; V104-L192 HydrophobicContact CG2-CB 4.45Å; L105-L192 PolarHBondContact N-O 3.06Å; L192-H194 HydrophobicContact CD2-CB 4.23Å; L192-H194 HydrophobicContact CG-CB 4.23Å; L192-L203 HydrophobicContact CD2-CB 4.39Å; L192-L203 HydrophobicContact CD2-CD1 3.9Å; L192-F206 HydrophobicContact CB-CB 4.32Å; L192-F206 HydrophobicContact CB-CD1 3.41Å; L192-F206 VanDerWaalsContact CB-CD1 3.41Å; L192-F206 HydrophobicContact CB-CD2 4.04Å; L192-F206 HydrophobicContact CB-CE1 3.51Å; L192-F206 HydrophobicContact CB-CE2 4.16Å; L192-F206 HydrophobicContact CB-CG 3.66Å; L192-F206 HydrophobicContact CB-CZ 3.91Å; L192-F206 HydrophobicContact CD1-CB 4.33Å; L192-F206 HydrophobicContact CD1-CG 4.48Å; L192-F206 HydrophobicContact CD2-CB 3.95Å; L192-F206 HydrophobicContact CD2-CD1 3.85Å; L192-F206 HydrophobicContact CD2-CG 4.1Å; L192-F206 HydrophobicContact CG-CB 4.44Å; L192-F206 HydrophobicContact CG-CD1 4.21Å; L192-F206 HydrophobicContact CG-CG 4.3Å
193V97Very high94.8Very high47 Ų4768.7 Ų68.729%0.28535%0.345SS..EExtended strand (participates in β ladder)trans-82.8118163.1-178.80000107.4L105 V107 Q183 L191L105-V193 HydrophobicContact CD2-CG2 4.42Å; V107-V193 HydrophobicContact CB-CG1 4.42Å; V107-V193 HydrophobicContact CG1-CG1 3.65Å; V107-V193 HydrophobicContact CG2-CG1 3.84Å; Q183-V193 HydrophobicContact CG-CG2 4.11Å; L191-V193 HydrophobicContact CD2-CG2 4.32Å; L191-V193 HydrophobicContact CG-CG2 4.44Å
194H97.6Very high95.4Very high2 Ų263 Ų631%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-122122-169.7-171.375.6000111.5M23 V104 L105 T106 V107 L192 D198 G199 Y217M23-H194 HydrophobicContact CE-CB 4.3Å; M23-H194 WeakPolarHBondContact CE-CD2 3.4Å; V104-H194 HydrophobicContact CG1-CB 3.87Å; L105-H194 PolarHBondContact O-N 3.21Å; T106-H194 CarbonylContact C-O 3.59Å; T106-H194 VanDerWaalsContact CA-O 3.3Å; T106-H194 WeakPolarHBondContact CA-O 3.25Å; V107-H194 PolarHBondContact N-O 3.07Å; L192-H194 HydrophobicContact CD2-CB 4.23Å; L192-H194 HydrophobicContact CG-CB 4.23Å; H194-D198 IonicContact ND1-OD2 2.81Å; H194-G199 PolarHBondContact CE1-O 3.07Å; H194-G199 VanDerWaalsContact CE1-O 3.29Å; H194-Y217 PolarHBondContact CD2-OH 2.85Å; H194-Y217 AromaticContact NE2-CE2 3.79Å; H194-Y217 AromaticContact NE2-CZ 3.41Å; H194-Y217 PolarHBondContact NE2-OH 2.68Å
195R96.5Very high95.8Very high124 Ų12465.6 Ų65.647%0.46833%0.328SS..EExtended strand (participates in β ladder)trans-95.3151.8168.6-65.9177.8-175.8-76.1-3.1109.3V107 E197 D198V107-R195 HydrophobicContact CG2-CG 3.51Å; R195-E197 WeakPolarHBondContact CB-OE2 3.27Å; R195-E197 PolarHBondContact O-N 3.33Å; R195-D198 PolarHBondContact N-OD2 3.46Å; R195-D198 WeakPolarHBondContact O-CB 3.36Å; R195-D198 PolarHBondContact O-N 3.45Å
196F93.6Very high96.2Very high77 Ų7762 Ų6234%0.33831%0.308SS..G310 helixtrans-55.7-36.6177.2172.2-100.4000111.9D198 G199 Y217 K219F196-D198 PolarHBondContact O-N 3.16Å; F196-G199 PolarHBondContact O-N 2.92Å; F196-Y217 HydrophobicContact CD2-CD1 4.16Å; F196-Y217 HydrophobicContact CD2-CE1 4.03Å; F196-Y217 AromaticContact CE2-CD1 3.89Å; F196-Y217 HydrophobicContact CE2-CD1 3.89Å; F196-Y217 HydrophobicContact CE2-CE1 4.17Å; F196-K219 HydrophobicContact CE1-CD 4.27Å; F196-K219 HydrophobicContact CE1-CG 4.37Å; F196-K219 HydrophobicContact CE2-CB 3.91Å; F196-K219 HydrophobicContact CE2-CG 3.94Å; F196-K219 HydrophobicContact CZ-CB 3.69Å; F196-K219 HydrophobicContact CZ-CD 3.79Å; F196-K219 HydrophobicContact CZ-CG 3.54Å
197E94.8Very high96.4Very high150 Ų15062.1 Ų62.170%0.70131%0.308SS*.G310 helixtrans-67.8-19.1-179.9-61.774-160.900113.6R195 G199R195-E197 WeakPolarHBondContact CB-OE2 3.27Å; R195-E197 PolarHBondContact O-N 3.33Å; E197-G199 PolarHBondContact O-N 3.41Å
198D96.9Very high96.7Very high63 Ų6365.9 Ų65.934%0.33733%0.325SS..G310 helixtrans-70.8-22.9-179.3-58.7-23.1000112.2H194 R195 F196 S202H194-D198 IonicContact ND1-OD2 2.81Å; R195-D198 PolarHBondContact N-OD2 3.46Å; R195-D198 WeakPolarHBondContact O-CB 3.36Å; R195-D198 PolarHBondContact O-N 3.45Å; F196-D198 PolarHBondContact O-N 3.16Å; D198-S202 WeakPolarHBondContact CB-OG 3.37Å
199G96.9Very high97Very high15 Ų1563.2 Ų63.216%0.15531%0.305CS..Hα-helixtrans58.8-144.917500000114.2H194 F196 E197 Y217H194-G199 PolarHBondContact CE1-O 3.07Å; H194-G199 VanDerWaalsContact CE1-O 3.29Å; F196-G199 PolarHBondContact O-N 2.92Å; E197-G199 PolarHBondContact O-N 3.41Å; G199-Y217 WeakPolarHBondContact O-CE2 3.29Å
200W98.5Very high97.2Very high22 Ų2264 Ų648%0.08331%0.313CS..Hα-helixtrans-76.2-32.7-174.7-70.8124.6000114.3A26 T29 L30 L203 C204 I211 P212 I215 Y217 P218A26-W200 HydrophobicContact CB-CH2 3.79Å; A26-W200 HydrophobicContact CB-CZ3 3.68Å; T29-W200 HydrophobicContact CG2-CH2 4.17Å; T29-W200 HydrophobicContact CG2-CZ2 4.39Å; L30-W200 HydrophobicContact CD1-CE3 4.35Å; L30-W200 HydrophobicContact CD1-CZ3 3.82Å; L30-W200 HydrophobicContact CD2-CE3 4.18Å; L30-W200 HydrophobicContact CD2-CZ3 3.84Å; L30-W200 HydrophobicContact CG-CE3 4.39Å; L30-W200 HydrophobicContact CG-CH2 4.36Å; L30-W200 HydrophobicContact CG-CZ3 3.66Å; W200-L203 HydrophobicContact CE3-CD2 4.37Å; W200-L203 HydrophobicContact CZ3-CD2 4.36Å; W200-L203 PolarHBondContact O-N 2.86Å; W200-C204 VanDerWaalsContact O-CB 3.28Å; W200-C204 WeakPolarHBondContact O-CB 3.31Å; W200-C204 PolarHBondContact O-N 2.85Å; W200-C204 PolarHBondContact O-SG 2.78Å; W200-I211 HydrophobicContact CB-CG1 4.38Å; W200-I211 HydrophobicContact CB-CG2 3.86Å; W200-I211 HydrophobicContact CG-CG2 4.25Å; W200-P212 HydrophobicContact CD2-CG 4.34Å; W200-P212 HydrophobicContact CE3-CG 4.4Å; W200-P212 HydrophobicContact CH2-CG 4.1Å; W200-P212 HydrophobicContact CZ2-CG 4.04Å; W200-P212 HydrophobicContact CZ3-CG 4.3Å; W200-I215 HydrophobicContact CZ2-CG2 4.39Å; W200-I215 PolarHBondContact NE1-O 3.01Å; W200-Y217 AromaticContact CD2-CD2 3.73Å; W200-Y217 HydrophobicContact CD2-CD2 3.73Å; W200-Y217 AromaticContact CE3-CD2 3.88Å; W200-Y217 HydrophobicContact CE3-CD2 3.88Å; W200-Y217 HydrophobicContact CE3-CE2 4.22Å; W200-Y217 HydrophobicContact CG-CD2 4.12Å; W200-Y217 HydrophobicContact CZ2-CD2 4.48Å; W200-Y217 HydrophobicContact CZ3-CD2 4.32Å; W200-Y217 HydrophobicContact CZ3-CE2 4.46Å; W200-P218 HydrophobicContact CH2-CG 4.42Å; W200-P218 HydrophobicContact CZ2-CG 4.34Å
201E97.5Very high97.4Very high150 Ų15065.7 Ų65.770%0.70133%0.325SS*.Hα-helixtrans-63.8-52.5-163.1-174.2175.3179.600112.4L203 K205 I211E201-L203 PolarHBondContact O-N 3.04Å; E201-K205 VanDerWaalsContact O-CB 3.25Å; E201-K205 WeakPolarHBondContact O-CB 3.15Å; E201-K205 PolarHBondContact O-N 3.35Å; E201-K205 VanDerWaalsContact O-N 3.09Å; E201-I211 HydrophobicContact CB-CD1 4.46Å
202S97.4Very high97.4Very high36 Ų3665.9 Ų65.925%0.25233%0.328SS..Hα-helixtrans-66-40179.770.40000111.8D198 F206D198-S202 WeakPolarHBondContact CB-OG 3.37Å; S202-F206 VanDerWaalsContact O-CB 3.25Å; S202-F206 WeakPolarHBondContact O-CB 3.33Å; S202-F206 PolarHBondContact O-N 3.27Å
203L98.5Very high97.3Very high0 Ų068.5 Ų68.50%035%0.353CS..Hα-helixtrans-64.9-50.8-179.9-178.562.6000111.7M23 A26 L30 V104 L192 W200 E201 F206 L207 Y217M23-L203 HydrophobicContact CE-CD1 4.17Å; M23-L203 HydrophobicContact CE-CD2 4.16Å; M23-L203 HydrophobicContact SD-CD1 4.07Å; M23-L203 HydrophobicContact SD-CD2 3.96Å; A26-L203 HydrophobicContact CB-CD2 4.12Å; L30-L203 HydrophobicContact CD1-CD2 4.04Å; L30-L203 HydrophobicContact CD1-CG 4.28Å; V104-L203 HydrophobicContact CG1-CD1 4.49Å; V104-L203 HydrophobicContact CG2-CD1 4.14Å; L192-L203 HydrophobicContact CD2-CB 4.39Å; L192-L203 HydrophobicContact CD2-CD1 3.9Å; W200-L203 HydrophobicContact CE3-CD2 4.37Å; W200-L203 HydrophobicContact CZ3-CD2 4.36Å; W200-L203 PolarHBondContact O-N 2.86Å; E201-L203 PolarHBondContact O-N 3.04Å; L203-F206 PolarHBondContact O-N 3.36Å; L203-L207 HydrophobicContact CD1-CD1 3.69Å; L203-L207 HydrophobicContact CD1-CG 4.06Å; L203-L207 HydrophobicContact CG-CD1 3.97Å; L203-L207 WeakPolarHBondContact O-CB 3.49Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.36Å; L203-L207 PolarHBondContact O-N 3.01Å; L203-Y217 HydrophobicContact CD2-CE2 4.03Å
204C98.6Very high97.2Very high2 Ų274.4 Ų74.41%0.01438%0.383CS..Hα-helixtrans-67.2-41.4-177.4-62.60000111.3W200 F206 L207 N208 V209 I211W200-C204 VanDerWaalsContact O-CB 3.28Å; W200-C204 WeakPolarHBondContact O-CB 3.31Å; W200-C204 PolarHBondContact O-N 2.85Å; W200-C204 PolarHBondContact O-SG 2.78Å; C204-F206 PolarHBondContact O-N 3.35Å; C204-L207 PolarHBondContact O-N 2.96Å; C204-N208 WeakPolarHBondContact O-CA 3.45Å; C204-N208 PolarHBondContact O-N 2.75Å; C204-V209 HydrophobicContact CB-CG2 4.13Å; C204-V209 WeakPolarHBondContact CB-O 3.45Å; C204-V209 PolarHBondContact O-N 3.28Å; C204-V209 VanDerWaalsContact O-N 3.1Å; C204-I211 HydrophobicContact CB-CG1 3.81Å
205K98.2Very high97.1Very high178 Ų17878.1 Ų78.177%0.77440%0.402SS*.Hα-helixtrans-58.6-47173.1-179.2179.3179.7178.90111.6E201 N208E201-K205 VanDerWaalsContact O-CB 3.25Å; E201-K205 WeakPolarHBondContact O-CB 3.15Å; E201-K205 PolarHBondContact O-N 3.35Å; E201-K205 VanDerWaalsContact O-N 3.09Å; K205-N208 PolarHBondContact O-N 3.36Å
206F98.2Very high97.1Very high33 Ų3377.4 Ų77.415%0.14541%0.413CS..Hα-helixtrans-65-43.1179174.1-112.1000111.9K102 V104 R190 L192 S202 L203 C204 N208K102-F206 HydrophobicContact CB-CE1 3.63Å; K102-F206 HydrophobicContact CB-CZ 3.81Å; K102-F206 HydrophobicContact CD-CD1 4.34Å; K102-F206 HydrophobicContact CD-CE1 4.07Å; K102-F206 HydrophobicContact CD-CZ 4.18Å; K102-F206 WeakPolarHBondContact CD-O 3.36Å; K102-F206 WeakPolarHBondContact CE-O 3.28Å; K102-F206 HydrophobicContact CG-CE1 4.22Å; K102-F206 HydrophobicContact CG-CZ 4.11Å; K102-F206 PolarHBondContact NZ-O 3.39Å; V104-F206 HydrophobicContact CG2-CD1 4.3Å; V104-F206 HydrophobicContact CG2-CE1 4Å; R190-F206 WeakPolarHBondContact O-CZ 3.33Å; L192-F206 HydrophobicContact CB-CB 4.32Å; L192-F206 HydrophobicContact CB-CD1 3.41Å; L192-F206 VanDerWaalsContact CB-CD1 3.41Å; L192-F206 HydrophobicContact CB-CD2 4.04Å; L192-F206 HydrophobicContact CB-CE1 3.51Å; L192-F206 HydrophobicContact CB-CE2 4.16Å; L192-F206 HydrophobicContact CB-CG 3.66Å; L192-F206 HydrophobicContact CB-CZ 3.91Å; L192-F206 HydrophobicContact CD1-CB 4.33Å; L192-F206 HydrophobicContact CD1-CG 4.48Å; L192-F206 HydrophobicContact CD2-CB 3.95Å; L192-F206 HydrophobicContact CD2-CD1 3.85Å; L192-F206 HydrophobicContact CD2-CG 4.1Å; L192-F206 HydrophobicContact CG-CB 4.44Å; L192-F206 HydrophobicContact CG-CD1 4.21Å; L192-F206 HydrophobicContact CG-CG 4.3Å; S202-F206 VanDerWaalsContact O-CB 3.25Å; S202-F206 WeakPolarHBondContact O-CB 3.33Å; S202-F206 PolarHBondContact O-N 3.27Å; L203-F206 PolarHBondContact O-N 3.36Å; C204-F206 PolarHBondContact O-N 3.35Å; F206-N208 VanDerWaalsContact C-N 3.28Å; F206-N208 PolarHBondContact O-N 2.65Å
207L97.9Very high97.3Very high9 Ų975.1 Ų75.15%0.04740%0.403CS..Hα-helixtrans-75.9-15.3179.9-65.9-178.3000113.5V10 L27 L30 Y31 K102 L203 C204 V209V10-L207 HydrophobicContact CG2-CD1 4.2Å; V10-L207 HydrophobicContact CG2-CD2 3.6Å; L27-L207 HydrophobicContact CD2-CD1 3.74Å; L30-L207 HydrophobicContact CD1-CD1 3.95Å; Y31-L207 HydrophobicContact CE2-CD1 4.2Å; K102-L207 HydrophobicContact CB-CD2 4.03Å; K102-L207 HydrophobicContact CD-CD2 3.86Å; K102-L207 VanDerWaalsContact NZ-C 3.28Å; K102-L207 PolarHBondContact NZ-O 2.86Å; L203-L207 HydrophobicContact CD1-CD1 3.69Å; L203-L207 HydrophobicContact CD1-CG 4.06Å; L203-L207 HydrophobicContact CG-CD1 3.97Å; L203-L207 WeakPolarHBondContact O-CB 3.49Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.36Å; L203-L207 PolarHBondContact O-N 3.01Å; C204-L207 PolarHBondContact O-N 2.96Å; L207-V209 HydrophobicContact CB-CG2 4.04Å
208N97.3Very high97.4Very high138 Ų13868.8 Ų68.874%0.73838%0.375SS*.THydrogen-bonded Turntrans61.553.7-174.5-169.858.7000112.2C204 K205 F206C204-N208 WeakPolarHBondContact O-CA 3.45Å; C204-N208 PolarHBondContact O-N 2.75Å; K205-N208 PolarHBondContact O-N 3.36Å; F206-N208 VanDerWaalsContact C-N 3.28Å; F206-N208 PolarHBondContact O-N 2.65Å
209V97.9Very high97.1Very high43 Ų4371.8 Ų71.826%0.26139%0.385SS..  trans-134.2162.6176.8-62.10000109.9L30 Y31 C204 L207L30-V209 HydrophobicContact CD1-CG2 4.2Å; L30-V209 HydrophobicContact CD2-CG2 3.93Å; L30-V209 HydrophobicContact CG-CG2 4.47Å; Y31-V209 HydrophobicContact CE1-CG1 4.28Å; C204-V209 HydrophobicContact CB-CG2 4.13Å; C204-V209 WeakPolarHBondContact CB-O 3.45Å; C204-V209 PolarHBondContact O-N 3.28Å; C204-V209 VanDerWaalsContact O-N 3.1Å; L207-V209 HydrophobicContact CB-CG2 4.04Å
210D98.1Very high96.7Very high151 Ų15172.6 Ų72.681%0.80739%0.387SS*.PPolyproline II helixtrans-74.1146.6177.6-66.1-38.9000111.9
211I98.3Very high96Very high95 Ų9573.7 Ų73.749%0.48739%0.394SS..PPolyproline II helixtrans-67.8128.3171.3-64.1176.3000108.7W200 E201 C204 A213W200-I211 HydrophobicContact CB-CG1 4.38Å; W200-I211 HydrophobicContact CB-CG2 3.86Å; W200-I211 HydrophobicContact CG-CG2 4.25Å; E201-I211 HydrophobicContact CB-CD1 4.46Å; C204-I211 HydrophobicContact CB-CG1 3.81Å; I211-A213 PolarHBondContact O-N 3.48Å
212P97.7Very high95.5Very high23 Ų2369.9 Ų69.915%0.14938%0.376CS..PPolyproline II helixtrans-59.3123.1176.5-26.236000112.4T29 L30 W200 N214 I215T29-P212 HydrophobicContact CG2-CB 4.32Å; T29-P212 HydrophobicContact CG2-CG 4.09Å; L30-P212 HydrophobicContact CD2-CG 3.63Å; W200-P212 HydrophobicContact CD2-CG 4.34Å; W200-P212 HydrophobicContact CE3-CG 4.4Å; W200-P212 HydrophobicContact CH2-CG 4.1Å; W200-P212 HydrophobicContact CZ2-CG 4.04Å; W200-P212 HydrophobicContact CZ3-CG 4.3Å; P212-N214 PolarHBondContact O-N 3.28Å; P212-I215 HydrophobicContact CB-CB 4.05Å; P212-I215 HydrophobicContact CB-CD1 4.14Å; P212-I215 HydrophobicContact CB-CG1 4.45Å
213A95.7Very high95Very high80 Ų8070.7 Ų70.766%0.66137%0.374SS*.THydrogen-bonded Turntrans-67.6129.5179.900000111.4I211 I215I211-A213 PolarHBondContact O-N 3.48Å; A213-I215 PolarHBondContact O-N 2.92Å; A213-I215 VanDerWaalsContact O-N 3.12Å
214N94.7Very high94.4Very high172 Ų17273.7 Ų73.792%0.9240%0.395SS*.THydrogen-bonded Turntrans59.218.3174.9-52.6-49000115.8P212P212-N214 PolarHBondContact O-N 3.28Å
215I96.5Very high93.9Very high80 Ų8076.5 Ų76.541%0.4141%0.41SS..  trans-110117175.7-61176000108.4T29 W200 P212 A213T29-I215 HydrophobicContact CG2-CD1 4.13Å; T29-I215 HydrophobicContact CG2-CG2 4.38Å; W200-I215 HydrophobicContact CZ2-CG2 4.39Å; W200-I215 PolarHBondContact NE1-O 3.01Å; P212-I215 HydrophobicContact CB-CB 4.05Å; P212-I215 HydrophobicContact CB-CD1 4.14Å; P212-I215 HydrophobicContact CB-CG1 4.45Å; A213-I215 PolarHBondContact O-N 2.92Å; A213-I215 VanDerWaalsContact O-N 3.12Å
216P96.4Very high93.4Very high108 Ų10871 Ų7170%0.70139%0.388SS*.PPolyproline II helixtrans-66.1152.1175.429-34.5000110.7
217Y97.4Very high92.9Very high29 Ų2973.4 Ų73.411%0.11440%0.4CS..PPolyproline II helixtrans-59132.6175.2-171.2-88.7000110.2M23 A26 H194 F196 G199 W200 L203 K219M23-Y217 WeakPolarHBondContact CE-OH 3.45Å; A26-Y217 HydrophobicContact CB-CE2 3.96Å; H194-Y217 PolarHBondContact CD2-OH 2.85Å; H194-Y217 AromaticContact NE2-CE2 3.79Å; H194-Y217 AromaticContact NE2-CZ 3.41Å; H194-Y217 PolarHBondContact NE2-OH 2.68Å; F196-Y217 HydrophobicContact CD2-CD1 4.16Å; F196-Y217 HydrophobicContact CD2-CE1 4.03Å; F196-Y217 AromaticContact CE2-CD1 3.89Å; F196-Y217 HydrophobicContact CE2-CD1 3.89Å; F196-Y217 HydrophobicContact CE2-CE1 4.17Å; G199-Y217 WeakPolarHBondContact O-CE2 3.29Å; W200-Y217 AromaticContact CD2-CD2 3.73Å; W200-Y217 HydrophobicContact CD2-CD2 3.73Å; W200-Y217 AromaticContact CE3-CD2 3.88Å; W200-Y217 HydrophobicContact CE3-CD2 3.88Å; W200-Y217 HydrophobicContact CE3-CE2 4.22Å; W200-Y217 HydrophobicContact CG-CD2 4.12Å; W200-Y217 HydrophobicContact CZ2-CD2 4.48Å; W200-Y217 HydrophobicContact CZ3-CD2 4.32Å; W200-Y217 HydrophobicContact CZ3-CE2 4.46Å; L203-Y217 HydrophobicContact CD2-CE2 4.03Å; Y217-K219 PolarHBondContact O-N 3.21Å
218P96.1Very high92.5Very high18 Ų1878.3 Ų78.312%0.11742%0.421CS..PPolyproline II helixtrans-61.8123.3-172.2-25.935.9000112.4S22 K25 A26 W200S22-P218 WeakPolarHBondContact CB-O 3.35Å; S22-P218 PolarHBondContact OG-O 3.31Å; K25-P218 HydrophobicContact CB-CB 3.77Å; K25-P218 HydrophobicContact CB-CG 3.93Å; A26-P218 HydrophobicContact CB-CG 4.22Å; W200-P218 HydrophobicContact CH2-CG 4.42Å; W200-P218 HydrophobicContact CZ2-CG 4.34Å
219K91.8Very high92.1Very high125 Ų12572.6 Ų72.654%0.54339%0.39SS..  trans-110.9104.8171.3-170.1177.9-174.7-175.30109.5F196 Y217 Q222F196-K219 HydrophobicContact CE1-CD 4.27Å; F196-K219 HydrophobicContact CE1-CG 4.37Å; F196-K219 HydrophobicContact CE2-CB 3.91Å; F196-K219 HydrophobicContact CE2-CG 3.94Å; F196-K219 HydrophobicContact CZ-CB 3.69Å; F196-K219 HydrophobicContact CZ-CD 3.79Å; F196-K219 HydrophobicContact CZ-CG 3.54Å; Y217-K219 PolarHBondContact O-N 3.21Å; K219-Q222 VanDerWaalsContact CE-OE1 3.28Å; K219-Q222 HydrophobicContact CG-CG 4.42Å
220T88.1Confident91.7Very high33 Ų3372.1 Ų72.120%0.20239%0.39CS..  trans-143.1168.5-171.764.50000112.8M21 S22 K25 Q222M21-T220 VanDerWaalsContact CG-OG1 3.32Å; M21-T220 WeakPolarHBondContact CG-OG1 3.45Å; S22-T220 PolarHBondContact OG-N 3.19Å; K25-T220 HydrophobicContact CD-CG2 3.69Å; T220-Q222 PolarHBondContact O-N 3.02Å
221N84.3Confident91.3Very high44 Ų4470.7 Ų70.724%0.23538%0.379CS..SBendtrans55.637.7177.4-1632.7000112.2R17 M21 M226R17-N221 PolarHBondContact NH1-ND2 2.84Å; R17-N221 VanDerWaalsContact NH1-ND2 3.12Å; R17-N221 PolarHBondContact NH1-O 3.25Å; R17-N221 VanDerWaalsContact NH1-O 3.12Å; R17-N221 PolarHBondContact NH1-OD1 3.39Å; R17-N221 PolarHBondContact NH2-O 2.79Å; M21-N221 HydrophobicContact CB-CB 3.76Å; M21-N221 HydrophobicContact CG-CB 3.85Å; N221-M226 VanDerWaalsContact OD1-CG 3.24Å; N221-M226 WeakPolarHBondContact OD1-CG 3.11Å; N221-M226 PolarHBondContact OD1-SD 2.93Å
222Q87.1Confident91.1Very high70 Ų7067.1 Ų67.133%0.32736%0.36SS..  trans-65.5149.6178.4-56.2-177.56900109K219 T220 S224 D225 M226K219-Q222 VanDerWaalsContact CE-OE1 3.28Å; K219-Q222 HydrophobicContact CG-CG 4.42Å; T220-Q222 PolarHBondContact O-N 3.02Å; Q222-S224 VanDerWaalsContact C-N 3.26Å; Q222-S224 PolarHBondContact O-N 3.01Å; Q222-D225 HydrophobicContact CB-CB 4.44Å; Q222-D225 VanDerWaalsContact CB-OD2 3.28Å; Q222-D225 WeakPolarHBondContact CB-OD2 3.4Å; Q222-D225 WeakPolarHBondContact CG-OD2 3.29Å; Q222-D225 WeakPolarHBondContact O-CB 3.19Å; Q222-D225 PolarHBondContact O-N 3.02Å; Q222-M226 PolarHBondContact O-N 2.71Å
223R85.3Confident90.8Very high53 Ų5366 Ų6620%0.235%0.353CS..Hα-helixtrans-53.7-43.4178.1178.6-169.9-64.3-164.89.7112.4D112 Q119 D225 M226 Q227D112-R223 PolarHBondContact O-NH2 3.39Å; D112-R223 IonicContact OD1-CZ 3.22Å; D112-R223 IonicContact OD1-NH2 3.87Å; D112-R223 PolarHBondContact OD1-NH2 3.1Å; Q119-R223 VanDerWaalsContact CD-CG 3.44Å; R223-D225 VanDerWaalsContact C-N 3.34Å; R223-M226 PolarHBondContact O-N 2.88Å; R223-Q227 PolarHBondContact O-N 3.25Å
224S86.5Confident90.6Very high63 Ų6364.8 Ų64.844%0.44134%0.335SS..Hα-helixtrans-63.4-38.2176.951.90000112.9Q222 M226 Q227 K228Q222-S224 VanDerWaalsContact C-N 3.26Å; Q222-S224 PolarHBondContact O-N 3.01Å; S224-M226 VanDerWaalsContact C-N 3.35Å; S224-Q227 PolarHBondContact O-N 2.61Å; S224-K228 WeakPolarHBondContact O-CB 3.46Å; S224-K228 PolarHBondContact O-N 3.24Å
225D87.8Confident90.5Very high62 Ų6264 Ų6433%0.33232%0.323SS..Hα-helixtrans-67.8-41-179.9-55.8-22.9000109.7Q222 R223 K228 L229Q222-D225 HydrophobicContact CB-CB 4.44Å; Q222-D225 VanDerWaalsContact CB-OD2 3.28Å; Q222-D225 WeakPolarHBondContact CB-OD2 3.4Å; Q222-D225 WeakPolarHBondContact CG-OD2 3.29Å; Q222-D225 WeakPolarHBondContact O-CB 3.19Å; Q222-D225 PolarHBondContact O-N 3.02Å; R223-D225 VanDerWaalsContact C-N 3.34Å; D225-K228 PolarHBondContact O-N 3.11Å; D225-L229 WeakPolarHBondContact O-CB 3.25Å; D225-L229 PolarHBondContact O-N 2.88Å
226M88.2Confident90.3Very high61 Ų6162.7 Ų62.730%0.332%0.315SS..Hα-helixtrans-66.9-36.1175.8-64.4-52.9-60.800113V120 N221 Q222 R223 S224 L229 A230V120-M226 HydrophobicContact CG1-CB 4.18Å; V120-M226 HydrophobicContact CG1-CE 4.24Å; V120-M226 HydrophobicContact CG1-CG 3.91Å; V120-M226 HydrophobicContact CG2-CB 3.96Å; V120-M226 HydrophobicContact CG2-CG 4.28Å; N221-M226 VanDerWaalsContact OD1-CG 3.24Å; N221-M226 WeakPolarHBondContact OD1-CG 3.11Å; N221-M226 PolarHBondContact OD1-SD 2.93Å; Q222-M226 PolarHBondContact O-N 2.71Å; R223-M226 PolarHBondContact O-N 2.88Å; S224-M226 VanDerWaalsContact C-N 3.35Å; M226-L229 HydrophobicContact CE-CD2 4.18Å; M226-L229 PolarHBondContact O-N 3.03Å; M226-L229 HydrophobicContact SD-CD2 4.45Å; M226-A230 WeakPolarHBondContact O-CB 3.43Å; M226-A230 PolarHBondContact O-N 3.36Å
227Q87.3Confident89.9Confident85 Ų8559 Ų5940%0.39730%0.296SS..Hα-helixtrans-62.7-50.7172.3-77.3168.9-54.300111.3Q119 R223 S224 L229 A230 E231Q119-Q227 VanDerWaalsContact CD-NE2 3.33Å; R223-Q227 PolarHBondContact O-N 3.25Å; S224-Q227 PolarHBondContact O-N 2.61Å; Q227-L229 VanDerWaalsContact C-N 3.25Å; Q227-L229 PolarHBondContact O-N 3.12Å; Q227-A230 PolarHBondContact O-N 3.49Å; Q227-A230 VanDerWaalsContact O-N 3.11Å; Q227-E231 WeakPolarHBondContact O-CG 3.36Å; Q227-E231 PolarHBondContact O-N 3.04Å
228K89.9Confident89.5Confident112 Ų11258.8 Ų58.849%0.48730%0.298SS..Hα-helixtrans-59.2-41.7179.3-173.2177.4179.7-179.10110.7S224 D225 E231 L232 I249S224-K228 WeakPolarHBondContact O-CB 3.46Å; S224-K228 PolarHBondContact O-N 3.24Å; D225-K228 PolarHBondContact O-N 3.11Å; K228-E231 PolarHBondContact O-N 3.34Å; K228-L232 HydrophobicContact CG-CD1 3.97Å; K228-L232 HydrophobicContact CG-CG 4.42Å; K228-L232 WeakPolarHBondContact O-CB 3.43Å; K228-L232 WeakPolarHBondContact O-CD1 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.4Å; K228-L232 PolarHBondContact O-N 3.34Å; K228-I249 HydrophobicContact CD-CD1 3.96Å; K228-I249 HydrophobicContact CG-CD1 4.12Å
229L89Confident89.1Confident17 Ų1759.6 Ų59.69%0.08930%0.302CS..Hα-helixtrans-59.9-49.2174.4179.760.3000111.4D225 M226 Q227 E231 L232 V233 V242 I249 L250D225-L229 WeakPolarHBondContact O-CB 3.25Å; D225-L229 PolarHBondContact O-N 2.88Å; M226-L229 HydrophobicContact CE-CD2 4.18Å; M226-L229 PolarHBondContact O-N 3.03Å; M226-L229 HydrophobicContact SD-CD2 4.45Å; Q227-L229 VanDerWaalsContact C-N 3.25Å; Q227-L229 PolarHBondContact O-N 3.12Å; L229-E231 PolarHBondContact O-N 2.89Å; L229-L232 PolarHBondContact O-N 2.85Å; L229-V233 HydrophobicContact CD1-CG2 4.07Å; L229-V233 HydrophobicContact CG-CG2 4.44Å; L229-V233 WeakPolarHBondContact O-CB 3.26Å; L229-V233 WeakPolarHBondContact O-CG2 3.2Å; L229-V233 PolarHBondContact O-N 2.69Å; L229-V242 HydrophobicContact CD1-CG1 3.95Å; L229-I249 HydrophobicContact CB-CG1 4.49Å; L229-I249 HydrophobicContact CD1-CG1 4.18Å; L229-I249 HydrophobicContact CD1-CG2 4.35Å; L229-L250 HydrophobicContact CD1-CD2 3.81Å; L229-L250 HydrophobicContact CD2-CD2 3.83Å
230A89.1Confident88.9Confident33 Ų3359.7 Ų59.727%0.27330%0.304SS..Hα-helixtrans-59.8-43.7178.300000112.3A136 M226 Q227 V233 M234A136-A230 HydrophobicContact CB-CB 4.26Å; M226-A230 WeakPolarHBondContact O-CB 3.43Å; M226-A230 PolarHBondContact O-N 3.36Å; Q227-A230 PolarHBondContact O-N 3.49Å; Q227-A230 VanDerWaalsContact O-N 3.11Å; A230-V233 PolarHBondContact O-N 3.39Å; A230-M234 WeakPolarHBondContact O-CB 3.16Å; A230-M234 VanDerWaalsContact O-CG 3.26Å; A230-M234 WeakPolarHBondContact O-CG 3.38Å; A230-M234 PolarHBondContact O-N 3.48Å
231E91.2Very high89Confident121 Ų12162.2 Ų62.257%0.56531%0.314SS*.Hα-helixtrans-61-44.9175.6-72.8172.8-171.500112.1Q227 K228 L229 M234 K235Q227-E231 WeakPolarHBondContact O-CG 3.36Å; Q227-E231 PolarHBondContact O-N 3.04Å; K228-E231 PolarHBondContact O-N 3.34Å; L229-E231 PolarHBondContact O-N 2.89Å; E231-M234 PolarHBondContact O-N 2.54Å; E231-K235 WeakPolarHBondContact O-CB 3.47Å; E231-K235 PolarHBondContact O-N 3.18Å
232L92.7Very high89.3Confident20 Ų2060.1 Ų60.111%0.10530%0.302CS..Hα-helixtrans-66-41.4178.6-68170.2000111.3K228 L229 M234 K235 F236 V242 I249K228-L232 HydrophobicContact CG-CD1 3.97Å; K228-L232 HydrophobicContact CG-CG 4.42Å; K228-L232 WeakPolarHBondContact O-CB 3.43Å; K228-L232 WeakPolarHBondContact O-CD1 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.4Å; K228-L232 PolarHBondContact O-N 3.34Å; L229-L232 PolarHBondContact O-N 2.85Å; L232-M234 VanDerWaalsContact C-N 3.34Å; L232-K235 PolarHBondContact O-N 3.4Å; L232-F236 HydrophobicContact CB-CD2 4.33Å; L232-F236 HydrophobicContact CD2-CD2 4.27Å; L232-F236 HydrophobicContact CD2-CE2 3.73Å; L232-F236 WeakPolarHBondContact O-CB 3.48Å; L232-F236 VanDerWaalsContact O-CD2 3.25Å; L232-F236 WeakPolarHBondContact O-CD2 3.47Å; L232-F236 PolarHBondContact O-N 3.21Å; L232-V242 VanDerWaalsContact C-CG2 3.41Å; L232-V242 HydrophobicContact CB-CG1 3.83Å; L232-V242 HydrophobicContact CB-CG2 3.8Å; L232-V242 HydrophobicContact CD1-CG1 4.19Å; L232-V242 WeakPolarHBondContact O-CG2 3.15Å; L232-I249 HydrophobicContact CD1-CD1 4Å; L232-I249 HydrophobicContact CD1-CG1 4.04Å
233V92.3Very high89.4Confident0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-65.1-39.8176.4169.50000110.9R139 L229 A230 K235 G237 I239 V242R139-V233 HydrophobicContact CB-CG1 3.32Å; R139-V233 HydrophobicContact CG-CG1 4.44Å; L229-V233 HydrophobicContact CD1-CG2 4.07Å; L229-V233 HydrophobicContact CG-CG2 4.44Å; L229-V233 WeakPolarHBondContact O-CB 3.26Å; L229-V233 WeakPolarHBondContact O-CG2 3.2Å; L229-V233 PolarHBondContact O-N 2.69Å; A230-V233 PolarHBondContact O-N 3.39Å; V233-K235 VanDerWaalsContact C-N 3.3Å; V233-K235 PolarHBondContact O-N 2.9Å; V233-G237 WeakPolarHBondContact O-CA 3.41Å; V233-G237 PolarHBondContact O-N 2.91Å; V233-I239 HydrophobicContact CG2-CB 4.38Å; V233-V242 HydrophobicContact CB-CG2 4.44Å; V233-V242 HydrophobicContact CG2-CB 4.44Å; V233-V242 HydrophobicContact CG2-CG2 3.87Å
234M91.2Very high89.6Confident54 Ų5464.1 Ų64.127%0.26632%0.321SS..Hα-helixtrans-64.9-35.3174-74-58.9-64.200112.4Q132 E135 A136 R139 A230 E231 L232Q132-M234 HydrophobicContact CG-CE 4.27Å; Q132-M234 HydrophobicContact CG-CG 4.17Å; Q132-M234 HydrophobicContact CG-SD 4.42Å; E135-M234 HydrophobicContact CB-CE 4.47Å; E135-M234 HydrophobicContact CB-SD 4.18Å; E135-M234 HydrophobicContact CG-CE 3.99Å; E135-M234 HydrophobicContact CG-SD 3.82Å; A136-M234 HydrophobicContact CB-CG 4.24Å; A136-M234 HydrophobicContact CB-SD 4.22Å; R139-M234 PolarHBondContact NH1-O 2.98Å; A230-M234 WeakPolarHBondContact O-CB 3.16Å; A230-M234 VanDerWaalsContact O-CG 3.26Å; A230-M234 WeakPolarHBondContact O-CG 3.38Å; A230-M234 PolarHBondContact O-N 3.48Å; E231-M234 PolarHBondContact O-N 2.54Å; L232-M234 VanDerWaalsContact C-N 3.34Å
235K92.3Very high89.7Confident155 Ų15564.9 Ų64.967%0.67432%0.318SS*.Hα-helixtrans-75.7-43.1179.6-177.1178.2178.6-179.70113.4E231 L232 V233E231-K235 WeakPolarHBondContact O-CB 3.47Å; E231-K235 PolarHBondContact O-N 3.18Å; L232-K235 PolarHBondContact O-N 3.4Å; V233-K235 VanDerWaalsContact C-N 3.3Å; V233-K235 PolarHBondContact O-N 2.9Å
236F91.6Very high89.6Confident54 Ų5465.1 Ų65.124%0.23732%0.317CS..Hα-helixtrans-99-24.5-171.7-65.1-63.8000113.2L232 E241 V242 M245 H246L232-F236 HydrophobicContact CB-CD2 4.33Å; L232-F236 HydrophobicContact CD2-CD2 4.27Å; L232-F236 HydrophobicContact CD2-CE2 3.73Å; L232-F236 WeakPolarHBondContact O-CB 3.48Å; L232-F236 VanDerWaalsContact O-CD2 3.25Å; L232-F236 WeakPolarHBondContact O-CD2 3.47Å; L232-F236 PolarHBondContact O-N 3.21Å; F236-E241 HydrophobicContact CB-CB 4.37Å; F236-V242 HydrophobicContact CB-CG2 4.12Å; F236-V242 HydrophobicContact CD2-CG2 4.12Å; F236-M245 HydrophobicContact CD1-CE 3.87Å; F236-M245 HydrophobicContact CD1-SD 3.51Å; F236-M245 VanDerWaalsContact CD1-SD 3.51Å; F236-M245 HydrophobicContact CD2-SD 4.23Å; F236-M245 HydrophobicContact CE1-CE 4.01Å; F236-M245 HydrophobicContact CE1-SD 3.37Å; F236-M245 WeakPolarHBondContact CE1-SD 3.24Å; F236-M245 HydrophobicContact CE2-SD 4.09Å; F236-M245 HydrophobicContact CG-SD 3.95Å; F236-M245 HydrophobicContact CZ-SD 3.67Å; F236-H246 AromaticContact CE2-NE2 3.83Å
237G89.2Confident89.1Confident30 Ų3067.6 Ų67.631%0.30934%0.338SS..SBendtrans110.5-26.7169.200000114.6R139 V233R139-G237 WeakPolarHBondContact CB-O 3.47Å; R139-G237 WeakPolarHBondContact CD-O 3.46Å; R139-G237 WeakPolarHBondContact CG-O 3.3Å; V233-G237 WeakPolarHBondContact O-CA 3.41Å; V233-G237 PolarHBondContact O-N 2.91Å
238S89Confident88.6Confident24 Ų2467.2 Ų67.217%0.16836%0.357CS..SBendtrans-149.3160.8174.295.50000113.4R139 E240 E241 V242R139-S238 WeakPolarHBondContact O-CA 3.32Å; S238-E240 VanDerWaalsContact C-N 3.33Å; S238-E240 WeakPolarHBondContact CB-OE2 3.35Å; S238-E240 PolarHBondContact OG-N 3.44Å; S238-E240 PolarHBondContact OG-OE2 3.03Å; S238-E241 PolarHBondContact O-N 3.18Å; S238-E241 PolarHBondContact OG-N 2.96Å; S238-V242 WeakPolarHBondContact O-CG2 3.43Å; S238-V242 PolarHBondContact O-N 3.1Å; S238-V242 VanDerWaalsContact O-N 3.15Å
239I88.1Confident88Confident36 Ų3663.4 Ų63.419%0.18534%0.342CS..Hα-helixtrans-66.7-32.4176.2-167.5165.6000112.7R139 V233 V242 A243 L250R139-I239 PolarHBondContact O-N 3.33Å; V233-I239 HydrophobicContact CG2-CB 4.38Å; I239-V242 PolarHBondContact O-N 3.08Å; I239-A243 WeakPolarHBondContact O-CB 3.41Å; I239-A243 PolarHBondContact O-N 3.1Å; I239-L250 HydrophobicContact CD1-CD1 4.34Å; I239-L250 HydrophobicContact CD1-CD2 3.93Å; I239-L250 HydrophobicContact CG1-CD1 4.13Å; I239-L250 HydrophobicContact CG1-CD2 4.15Å
240E87.7Confident87Confident127 Ų12768 Ų6859%0.59337%0.366SS*.Hα-helixtrans-65.8-41.5176.5-58.977.3-166.900111.3S238 A243 R244S238-E240 VanDerWaalsContact C-N 3.33Å; S238-E240 WeakPolarHBondContact CB-OE2 3.35Å; S238-E240 PolarHBondContact OG-N 3.44Å; S238-E240 PolarHBondContact OG-OE2 3.03Å; E240-A243 PolarHBondContact O-N 2.92Å; E240-R244 WeakPolarHBondContact O-CB 3.5Å; E240-R244 PolarHBondContact O-N 3.13Å
241E90.4Very high86.9Confident86 Ų8669.7 Ų69.740%0.40237%0.37SS..Hα-helixtrans-65.7-41.8175.8-69.7-169.5-168.500111.6F236 S238 R244 M245F236-E241 HydrophobicContact CB-CB 4.37Å; S238-E241 PolarHBondContact O-N 3.18Å; S238-E241 PolarHBondContact OG-N 2.96Å; E241-R244 PolarHBondContact O-N 3.19Å; E241-M245 WeakPolarHBondContact O-CG 3.35Å; E241-M245 PolarHBondContact O-N 3.49Å
242V90.4Very high86.7Confident0 Ų067 Ų670%036%0.36CS..Hα-helixtrans-62.2-46.1174.9171.90000111.3L229 L232 V233 F236 S238 I239 R244 M245 H246 I249L229-V242 HydrophobicContact CD1-CG1 3.95Å; L232-V242 VanDerWaalsContact C-CG2 3.41Å; L232-V242 HydrophobicContact CB-CG1 3.83Å; L232-V242 HydrophobicContact CB-CG2 3.8Å; L232-V242 HydrophobicContact CD1-CG1 4.19Å; L232-V242 WeakPolarHBondContact O-CG2 3.15Å; V233-V242 HydrophobicContact CB-CG2 4.44Å; V233-V242 HydrophobicContact CG2-CB 4.44Å; V233-V242 HydrophobicContact CG2-CG2 3.87Å; F236-V242 HydrophobicContact CB-CG2 4.12Å; F236-V242 HydrophobicContact CD2-CG2 4.12Å; S238-V242 WeakPolarHBondContact O-CG2 3.43Å; S238-V242 PolarHBondContact O-N 3.1Å; S238-V242 VanDerWaalsContact O-N 3.15Å; I239-V242 PolarHBondContact O-N 3.08Å; V242-R244 VanDerWaalsContact C-N 3.3Å; V242-R244 PolarHBondContact O-N 3.04Å; V242-M245 PolarHBondContact O-N 3.28Å; V242-H246 WeakPolarHBondContact O-CA 3.39Å; V242-H246 WeakPolarHBondContact O-CB 3.42Å; V242-H246 PolarHBondContact O-N 2.54Å; V242-I249 HydrophobicContact CG1-CG2 3.81Å
243A88.7Confident86.4Confident31 Ų3169.6 Ų69.626%0.25637%0.374SS..Hα-helixtrans-62.2-37.6177.600000112.1I239 E240 H246 P247 L250I239-A243 WeakPolarHBondContact O-CB 3.41Å; I239-A243 PolarHBondContact O-N 3.1Å; E240-A243 PolarHBondContact O-N 2.92Å; A243-H246 CarbonylContact O-C 3.34Å; A243-P247 WeakPolarHBondContact O-CA 3.48Å; A243-L250 HydrophobicContact CB-CD1 3.84Å
244R89.8Confident86Confident175 Ų17573.7 Ų73.766%0.6640%0.396SS*.Hα-helixtrans-64.9-38.7175-172.8-175.866.182.8-1.6112.3E240 E241 V242E240-R244 WeakPolarHBondContact O-CB 3.5Å; E240-R244 PolarHBondContact O-N 3.13Å; E241-R244 PolarHBondContact O-N 3.19Å; V242-R244 VanDerWaalsContact C-N 3.3Å; V242-R244 PolarHBondContact O-N 3.04Å
245M88.2Confident85.7Confident79 Ų7974.9 Ų74.939%0.38940%0.404SS..Hα-helixtrans-84.4-27.3-180-67.4-170.1-178.200113.4F236 E241 V242F236-M245 HydrophobicContact CD1-CE 3.87Å; F236-M245 HydrophobicContact CD1-SD 3.51Å; F236-M245 VanDerWaalsContact CD1-SD 3.51Å; F236-M245 HydrophobicContact CD2-SD 4.23Å; F236-M245 HydrophobicContact CE1-CE 4.01Å; F236-M245 HydrophobicContact CE1-SD 3.37Å; F236-M245 WeakPolarHBondContact CE1-SD 3.24Å; F236-M245 HydrophobicContact CE2-SD 4.09Å; F236-M245 HydrophobicContact CG-SD 3.95Å; F236-M245 HydrophobicContact CZ-SD 3.67Å; E241-M245 WeakPolarHBondContact O-CG 3.35Å; E241-M245 PolarHBondContact O-N 3.49Å; V242-M245 PolarHBondContact O-N 3.28Å
246H85.7Confident85.3Confident67 Ų6769.6 Ų69.631%0.3139%0.386SS..  trans-134.473.3-175.9-59-77.9000111.1F236 V242 A243 G248 I249F236-H246 AromaticContact CE2-NE2 3.83Å; V242-H246 WeakPolarHBondContact O-CA 3.39Å; V242-H246 WeakPolarHBondContact O-CB 3.42Å; V242-H246 PolarHBondContact O-N 2.54Å; A243-H246 CarbonylContact O-C 3.34Å; H246-G248 PolarHBondContact O-N 2.82Å; H246-I249 HydrophobicContact CB-CB 3.97Å; H246-I249 HydrophobicContact CB-CG2 4Å; H246-I249 WeakPolarHBondContact O-CB 3.48Å; H246-I249 WeakPolarHBondContact O-CG2 3.19Å; H246-I249 PolarHBondContact O-N 2.84Å
247P77.7Confident84.8Confident114 Ų11470.7 Ų70.774%0.7440%0.397SS*.THydrogen-bonded Turntrans-60-13.5-171.9-26.535.7000116.6A243A243-P247 WeakPolarHBondContact O-CA 3.48Å
248G77.4Confident84.5Confident77 Ų7773.8 Ų73.879%0.79440%0.404SS*.THydrogen-bonded Turntrans-106.911.9178.400000115.2H246H246-G248 PolarHBondContact O-N 2.82Å
249I76.2Confident84.1Confident31 Ų3178 Ų7816%0.15942%0.423CS..  trans-82.1-21.8-178.6-16365.8000113.5K228 L229 L232 V242 H246K228-I249 HydrophobicContact CD-CD1 3.96Å; K228-I249 HydrophobicContact CG-CD1 4.12Å; L229-I249 HydrophobicContact CB-CG1 4.49Å; L229-I249 HydrophobicContact CD1-CG1 4.18Å; L229-I249 HydrophobicContact CD1-CG2 4.35Å; L232-I249 HydrophobicContact CD1-CD1 4Å; L232-I249 HydrophobicContact CD1-CG1 4.04Å; V242-I249 HydrophobicContact CG1-CG2 3.81Å; H246-I249 HydrophobicContact CB-CB 3.97Å; H246-I249 HydrophobicContact CB-CG2 4Å; H246-I249 WeakPolarHBondContact O-CB 3.48Å; H246-I249 WeakPolarHBondContact O-CG2 3.19Å; H246-I249 PolarHBondContact O-N 2.84Å
250L69.1Low83.7Confident113 Ų11381.8 Ų81.859%0.59245%0.445SS*.  trans-101.50-179.3-59-179.8000111.6L229 I239 A243L229-L250 HydrophobicContact CD1-CD2 3.81Å; L229-L250 HydrophobicContact CD2-CD2 3.83Å; I239-L250 HydrophobicContact CD1-CD1 4.34Å; I239-L250 HydrophobicContact CD1-CD2 3.93Å; I239-L250 HydrophobicContact CG1-CD1 4.13Å; I239-L250 HydrophobicContact CG1-CD2 4.15Å; A243-L250 HydrophobicContact CB-CD1 3.84Å

Retrieved 250 of 250 residues in 136.1 ms (Link to these results)

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