A0A077ZB93_TRITR Loading...

Protein C14C6.3

AlphaFold DB , UniProt , Accession A0A077ZB93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 690 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
1M45.7Very low51Low162 Ų162110.6 Ų110.680%0.79852%0.523SS*.  0120.10-155.4-170.4-52.500106T5 L6 L9M1-T5 HydrophobicContact CG-CG2 4.47Å; M1-L6 HydrophobicContact CB-CD1 4.13Å; M1-L6 HydrophobicContact CE-CD1 4.32Å; M1-L6 HydrophobicContact CG-CD1 4.34Å; M1-L6 HydrophobicContact SD-CB 4.31Å; M1-L6 HydrophobicContact SD-CD1 3.73Å; M1-L6 HydrophobicContact SD-CG 3.98Å; M1-L9 HydrophobicContact SD-CD1 4.24Å
2E50.4Low52Low147 Ų147117.6 Ų117.669%0.68754%0.541SS*.  trans-67146-178-66.1179.2158.700109.9K4 T5 L6E2-K4 PolarHBondContact O-N 3.45Å; E2-T5 WeakPolarHBondContact O-CA 3.49Å; E2-T5 WeakPolarHBondContact O-CB 3.35Å; E2-T5 PolarHBondContact O-N 3.23Å; E2-T5 PolarHBondContact O-OG1 2.7Å; E2-L6 PolarHBondContact O-N 2.83Å
3E43.9Very low51.7Low142 Ų142114.3 Ų114.366%0.66453%0.526SS*.Hα-helixtrans-52.7-34.9-176.5-168.5-165.9147.800112.1L6 K7E3-L6 PolarHBondContact O-N 3.47Å; E3-K7 PolarHBondContact O-N 2.84Å; E3-K7 IonicContact OE1-NZ 3.33Å; E3-K7 PolarHBondContact OE1-NZ 3.41Å
4K54.5Low51.4Low152 Ų152112.8 Ų112.866%0.66151%0.514SS*.Hα-helixtrans-64.6-44.5176.3-155.6-178.9-176.5-172.80112E2 L6 K7 E8E2-K4 PolarHBondContact O-N 3.45Å; K4-L6 VanDerWaalsContact C-N 3.3Å; K4-L6 PolarHBondContact O-N 2.91Å; K4-K7 PolarHBondContact O-N 3.28Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 2.88Å
5T50.9Low51.9Low58 Ų58109 Ų10936%0.35651%0.51SS..Hα-helixtrans-64.5-37.4175.7-23.30000111.1M1 E2 E8 L9M1-T5 HydrophobicContact CG-CG2 4.47Å; E2-T5 WeakPolarHBondContact O-CA 3.49Å; E2-T5 WeakPolarHBondContact O-CB 3.35Å; E2-T5 PolarHBondContact O-N 3.23Å; E2-T5 PolarHBondContact O-OG1 2.7Å; T5-E8 PolarHBondContact O-N 2.89Å; T5-L9 WeakPolarHBondContact O-CB 3.37Å; T5-L9 PolarHBondContact O-N 2.78Å
6L45.7Very low51.9Low57 Ų57108.4 Ų108.430%0.29851%0.507SS..Hα-helixtrans-69.5-39.7178.8-140.3130.1000111.7M1 E2 E3 K4 L9 Y10 L165M1-L6 HydrophobicContact CB-CD1 4.13Å; M1-L6 HydrophobicContact CE-CD1 4.32Å; M1-L6 HydrophobicContact CG-CD1 4.34Å; M1-L6 HydrophobicContact SD-CB 4.31Å; M1-L6 HydrophobicContact SD-CD1 3.73Å; M1-L6 HydrophobicContact SD-CG 3.98Å; E2-L6 PolarHBondContact O-N 2.83Å; E3-L6 PolarHBondContact O-N 3.47Å; K4-L6 VanDerWaalsContact C-N 3.3Å; K4-L6 PolarHBondContact O-N 2.91Å; L6-L9 PolarHBondContact O-N 2.86Å; L6-Y10 VanDerWaalsContact O-CB 3.31Å; L6-Y10 WeakPolarHBondContact O-CB 3.45Å; L6-Y10 PolarHBondContact O-N 3.45Å; L6-L165 HydrophobicContact CD2-CD2 3.66Å
7K49.5Very low51.5Low126 Ų126104.6 Ų104.655%0.54849%0.491SS..Hα-helixtrans-62.4-43.4171.8-97.1175177.1155.20112.5E3 K4 Y10 Q11E3-K7 PolarHBondContact O-N 2.84Å; E3-K7 IonicContact OE1-NZ 3.33Å; E3-K7 PolarHBondContact OE1-NZ 3.41Å; K4-K7 PolarHBondContact O-N 3.28Å; K7-Y10 PolarHBondContact O-N 3.41Å; K7-Q11 WeakPolarHBondContact O-CB 3.2Å; K7-Q11 WeakPolarHBondContact O-CG 3.14Å; K7-Q11 PolarHBondContact O-N 3.5Å
8E59.4Low51.5Low99 Ų99104.4 Ų104.446%0.46349%0.488SS..Hα-helixtrans-65.6-40.5176-76.5175.6-176.700111.7K4 T5 Y10 Q11 R12K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 2.88Å; T5-E8 PolarHBondContact O-N 2.89Å; E8-Y10 VanDerWaalsContact C-N 3.32Å; E8-Y10 PolarHBondContact O-N 2.84Å; E8-Q11 PolarHBondContact O-N 3.33Å; E8-R12 WeakPolarHBondContact O-CB 3.47Å; E8-R12 PolarHBondContact O-N 3.01Å
9L54.3Low51.8Low81 Ų81105.6 Ų105.642%0.42449%0.494SS..Hα-helixtrans-64-40.1174.6-137.6129.6000111M1 T5 L6 Q13M1-L9 HydrophobicContact SD-CD1 4.24Å; T5-L9 WeakPolarHBondContact O-CB 3.37Å; T5-L9 PolarHBondContact O-N 2.78Å; L6-L9 PolarHBondContact O-N 2.86Å; L9-Q13 HydrophobicContact CD2-CG 4.48Å; L9-Q13 VanDerWaalsContact O-CB 3.3Å; L9-Q13 WeakPolarHBondContact O-CB 3.33Å; L9-Q13 WeakPolarHBondContact O-CG 3.43Å; L9-Q13 PolarHBondContact O-N 3.45Å
10Y48.7Very low51.6Low56 Ų56107 Ų10722%0.2250%0.498CS..Hα-helixtrans-66.8-43.8176.1-154.6-95.3000112.2L6 K7 E8 Q13 W14 L113 Q116 F161L6-Y10 VanDerWaalsContact O-CB 3.31Å; L6-Y10 WeakPolarHBondContact O-CB 3.45Å; L6-Y10 PolarHBondContact O-N 3.45Å; K7-Y10 PolarHBondContact O-N 3.41Å; E8-Y10 VanDerWaalsContact C-N 3.32Å; E8-Y10 PolarHBondContact O-N 2.84Å; Y10-Q13 PolarHBondContact O-N 3.49Å; Y10-W14 WeakPolarHBondContact O-CB 3.38Å; Y10-W14 PolarHBondContact O-N 3.33Å; Y10-L113 HydrophobicContact CE1-CD2 3.56Å; Y10-L113 HydrophobicContact CE2-CD2 4.16Å; Y10-L113 WeakPolarHBondContact OH-CD2 3.25Å; Y10-Q116 PolarHBondContact OH-OE1 2.97Å; Y10-F161 HydrophobicContact CE2-CE2 4.2Å; Y10-F161 VanDerWaalsContact OH-CE2 3.32Å; Y10-F161 WeakPolarHBondContact OH-CE2 3.21Å
11Q58Low51.3Low137 Ų137107.5 Ų107.564%0.6450%0.496SS*.Hα-helixtrans-66-41176.4-79.2-177.9-13.300111.8K7 E8 W14 A15K7-Q11 WeakPolarHBondContact O-CB 3.2Å; K7-Q11 WeakPolarHBondContact O-CG 3.14Å; K7-Q11 PolarHBondContact O-N 3.5Å; E8-Q11 PolarHBondContact O-N 3.33Å; Q11-W14 PolarHBondContact O-N 2.86Å; Q11-A15 WeakPolarHBondContact O-CB 3.47Å; Q11-A15 PolarHBondContact O-N 3.4Å
12R62.5Low51.5Low194 Ų194104.4 Ų104.473%0.73248%0.479SS*.Hα-helixtrans-62.8-49.7173.3-88.8-175.8176.31551111.6E8 W14 A15 E16E8-R12 WeakPolarHBondContact O-CB 3.47Å; E8-R12 PolarHBondContact O-N 3.01Å; R12-W14 VanDerWaalsContact C-N 3.28Å; R12-W14 PolarHBondContact O-N 3.38Å; R12-A15 PolarHBondContact O-N 2.94Å; R12-E16 WeakPolarHBondContact O-CB 3.32Å; R12-E16 PolarHBondContact O-N 3.01Å
13Q48.7Very low51.4Low75 Ų75100.5 Ų100.535%0.3547%0.466SS..Hα-helixtrans-66.3-32.4178.9-75.8-161.5-14.200112.1L9 Y10 L17L9-Q13 HydrophobicContact CD2-CG 4.48Å; L9-Q13 VanDerWaalsContact O-CB 3.3Å; L9-Q13 WeakPolarHBondContact O-CB 3.33Å; L9-Q13 WeakPolarHBondContact O-CG 3.43Å; L9-Q13 PolarHBondContact O-N 3.45Å; Y10-Q13 PolarHBondContact O-N 3.49Å; Q13-L17 VanDerWaalsContact O-CB 3.27Å; Q13-L17 WeakPolarHBondContact O-CB 3.31Å; Q13-L17 PolarHBondContact O-N 3.25Å
14W47.5Very low51.3Low93 Ų9396.5 Ų96.535%0.35246%0.456SS..Hα-helixtrans-68.7-43173.2179.7-115.5000112.4Y10 Q11 R12 E16 L17 K18 L113 V117Y10-W14 WeakPolarHBondContact O-CB 3.38Å; Y10-W14 PolarHBondContact O-N 3.33Å; Q11-W14 PolarHBondContact O-N 2.86Å; R12-W14 VanDerWaalsContact C-N 3.28Å; R12-W14 PolarHBondContact O-N 3.38Å; W14-E16 VanDerWaalsContact C-N 3.34Å; W14-L17 PolarHBondContact O-N 2.66Å; W14-K18 VanDerWaalsContact O-CB 3.26Å; W14-K18 WeakPolarHBondContact O-CB 3.5Å; W14-K18 PolarHBondContact O-N 2.92Å; W14-L113 HydrophobicContact CE3-CB 4.31Å; W14-L113 HydrophobicContact CE3-CD1 4.08Å; W14-L113 HydrophobicContact CE3-CD2 3.71Å; W14-L113 HydrophobicContact CE3-CG 4.28Å; W14-L113 HydrophobicContact CZ3-CB 3.91Å; W14-L113 HydrophobicContact CZ3-CD1 4.42Å; W14-L113 HydrophobicContact CZ3-CD2 4.05Å; W14-L113 HydrophobicContact CZ3-CG 4.38Å; W14-V117 HydrophobicContact CH2-CG2 3.62Å; W14-V117 HydrophobicContact CZ2-CG2 3.95Å; W14-V117 HydrophobicContact CZ3-CG2 4.45Å
15A59.2Low50.8Low56 Ų5693.6 Ų93.646%0.46345%0.448SS..Hα-helixtrans-62.6-43.9173.500000110.6Q11 R12 L17 K18 Q19Q11-A15 WeakPolarHBondContact O-CB 3.47Å; Q11-A15 PolarHBondContact O-N 3.4Å; R12-A15 PolarHBondContact O-N 2.94Å; A15-L17 PolarHBondContact O-N 2.68Å; A15-K18 PolarHBondContact O-N 3.06Å; A15-Q19 WeakPolarHBondContact O-CB 3.2Å; A15-Q19 PolarHBondContact O-N 2.93Å
16E51.5Low50.6Low99 Ų9995.3 Ų95.346%0.46346%0.455SS..Hα-helixtrans-62.6-38172.4-89.8-167.9139.600112.5R12 W14 K20R12-E16 WeakPolarHBondContact O-CB 3.32Å; R12-E16 PolarHBondContact O-N 3.01Å; W14-E16 VanDerWaalsContact C-N 3.34Å; E16-K20 WeakPolarHBondContact O-CA 3.36Å; E16-K20 WeakPolarHBondContact O-CB 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.1Å; E16-K20 PolarHBondContact O-N 3.06Å
17L45.8Very low50.6Low44 Ų4496.8 Ų96.823%0.2346%0.462CS..Hα-helixtrans-74-37.5178.4-118.5131.1000111.5Q13 W14 A15 R21 P110 L113Q13-L17 VanDerWaalsContact O-CB 3.27Å; Q13-L17 WeakPolarHBondContact O-CB 3.31Å; Q13-L17 PolarHBondContact O-N 3.25Å; W14-L17 PolarHBondContact O-N 2.66Å; A15-L17 PolarHBondContact O-N 2.68Å; L17-R21 WeakPolarHBondContact O-CA 3.43Å; L17-R21 WeakPolarHBondContact O-CB 3.2Å; L17-R21 PolarHBondContact O-N 3.45Å; L17-P110 HydrophobicContact CD1-CG 4.36Å; L17-P110 HydrophobicContact CD2-CB 3.87Å; L17-P110 HydrophobicContact CD2-CG 4.05Å; L17-L113 HydrophobicContact CD1-CD1 3.62Å
18K50.6Low50.3Low101 Ų10197 Ų9744%0.43946%0.461SS..Hα-helixtrans-64.8-43.6173.3-172.2-176.8177.2-169.90110.1W14 A15 R21 E22W14-K18 VanDerWaalsContact O-CB 3.26Å; W14-K18 WeakPolarHBondContact O-CB 3.5Å; W14-K18 PolarHBondContact O-N 2.92Å; A15-K18 PolarHBondContact O-N 3.06Å; K18-R21 WeakPolarHBondContact O-CB 3.44Å; K18-R21 PolarHBondContact O-N 2.67Å; K18-E22 WeakPolarHBondContact CE-OE1 2.98Å; K18-E22 WeakPolarHBondContact O-CB 3.31Å; K18-E22 WeakPolarHBondContact O-CG 3.41Å; K18-E22 PolarHBondContact O-N 2.67Å
19Q57.5Low49.5Very low127 Ų12796.3 Ų96.359%0.59346%0.459SS*.Hα-helixtrans-67.1-49.6174.7-168.8178.812.500110.7A15 R21 E22 T23A15-Q19 WeakPolarHBondContact O-CB 3.2Å; A15-Q19 PolarHBondContact O-N 2.93Å; Q19-R21 PolarHBondContact O-N 2.66Å; Q19-E22 CarbonylContact O-C 3.31Å; Q19-E22 PolarHBondContact O-N 3.18Å; Q19-T23 WeakPolarHBondContact O-CB 3.36Å; Q19-T23 PolarHBondContact O-N 2.64Å; Q19-T23 PolarHBondContact O-OG1 2.67Å
20K47.4Very low49.1Very low134 Ų13494.3 Ų94.358%0.58346%0.455SS*.Hα-helixtrans-59.4-32.5174.1-78.6174.8179.4172.70112E16 A24E16-K20 WeakPolarHBondContact O-CA 3.36Å; E16-K20 WeakPolarHBondContact O-CB 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.1Å; E16-K20 PolarHBondContact O-N 3.06Å; K20-A24 WeakPolarHBondContact O-CA 2.87Å; K20-A24 WeakPolarHBondContact O-CB 3.26Å; K20-A24 PolarHBondContact O-N 3.1Å
21R45.9Very low48.8Very low118 Ų11895.7 Ų95.745%0.44547%0.466SS..Hα-helixtrans-71.4-48.5174.5173.1-171.3168.1-152.9-10.6111L17 K18 Q19 T23 A24 L25L17-R21 WeakPolarHBondContact O-CA 3.43Å; L17-R21 WeakPolarHBondContact O-CB 3.2Å; L17-R21 PolarHBondContact O-N 3.45Å; K18-R21 WeakPolarHBondContact O-CB 3.44Å; K18-R21 PolarHBondContact O-N 2.67Å; Q19-R21 PolarHBondContact O-N 2.66Å; R21-T23 VanDerWaalsContact C-N 3.29Å; R21-A24 PolarHBondContact O-N 3.36Å; R21-L25 WeakPolarHBondContact O-CA 3.37Å; R21-L25 WeakPolarHBondContact O-CB 2.96Å; R21-L25 PolarHBondContact O-N 2.71Å
22E49.3Very low47.9Very low96 Ų9694.5 Ų94.545%0.44946%0.456SS..Hα-helixtrans-62.4-43.4174.7-79.8170.1-172.300109.3K18 Q19 N26K18-E22 WeakPolarHBondContact CE-OE1 2.98Å; K18-E22 WeakPolarHBondContact O-CB 3.31Å; K18-E22 WeakPolarHBondContact O-CG 3.41Å; K18-E22 PolarHBondContact O-N 2.67Å; Q19-E22 CarbonylContact O-C 3.31Å; Q19-E22 PolarHBondContact O-N 3.18Å; E22-N26 WeakPolarHBondContact O-CA 3.42Å; E22-N26 WeakPolarHBondContact O-CB 3.21Å; E22-N26 PolarHBondContact O-N 3.48Å; E22-N26 PolarHBondContact O-ND2 3.2Å; E22-N26 VanDerWaalsContact O-ND2 3.1Å; E22-N26 PolarHBondContact O-OD1 2.78Å
23T49Very low47Very low66 Ų6687.7 Ų87.741%0.40544%0.436SS..Hα-helixtrans-64.9-40.4175-53.60000112Q19 R21 N26 L27Q19-T23 WeakPolarHBondContact O-CB 3.36Å; Q19-T23 PolarHBondContact O-N 2.64Å; Q19-T23 PolarHBondContact O-OG1 2.67Å; R21-T23 VanDerWaalsContact C-N 3.29Å; T23-N26 CarbonylContact O-C 3.59Å; T23-L27 HydrophobicContact CG2-CD1 3.61Å; T23-L27 WeakPolarHBondContact O-CA 3.46Å; T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 WeakPolarHBondContact O-CD1 3.41Å; T23-L27 PolarHBondContact O-N 3.25Å
24A42.3Very low46.6Very low57 Ų5786.1 Ų86.147%0.47143%0.432SS..Hα-helixtrans-78.7-35.3179.400000112.4K20 R21 L27 Y28K20-A24 WeakPolarHBondContact O-CA 2.87Å; K20-A24 WeakPolarHBondContact O-CB 3.26Å; K20-A24 PolarHBondContact O-N 3.1Å; R21-A24 PolarHBondContact O-N 3.36Å; A24-L27 PolarHBondContact O-N 3.38Å; A24-Y28 WeakPolarHBondContact O-CA 3.49Å; A24-Y28 WeakPolarHBondContact O-CB 3.26Å; A24-Y28 PolarHBondContact O-N 2.8Å
25L43.3Very low46.2Very low91 Ų9188.4 Ų88.448%0.47645%0.446SS..Hα-helixtrans-67-42.2169.9-172.176000109.2R21 Y28 I29R21-L25 WeakPolarHBondContact O-CA 3.37Å; R21-L25 WeakPolarHBondContact O-CB 2.96Å; R21-L25 PolarHBondContact O-N 2.71Å; L25-Y28 PolarHBondContact O-N 2.69Å; L25-I29 HydrophobicContact CD1-CD1 4.45Å; L25-I29 HydrophobicContact CD2-CD1 4.35Å; L25-I29 HydrophobicContact CG-CD1 3.84Å; L25-I29 HydrophobicContact CG-CG1 4.49Å; L25-I29 WeakPolarHBondContact O-CA 2.97Å; L25-I29 WeakPolarHBondContact O-CB 3.27Å; L25-I29 WeakPolarHBondContact O-CD1 3.11Å; L25-I29 WeakPolarHBondContact O-CG1 3.13Å; L25-I29 PolarHBondContact O-N 3.4Å
26N47.3Very low45.1Very low95 Ų9589.4 Ų89.451%0.50844%0.44SS..Hα-helixtrans-73.2-29.5175.1-67.4-17.9000112E22 T23 A30E22-N26 WeakPolarHBondContact O-CA 3.42Å; E22-N26 WeakPolarHBondContact O-CB 3.21Å; E22-N26 PolarHBondContact O-N 3.48Å; E22-N26 PolarHBondContact O-ND2 3.2Å; E22-N26 VanDerWaalsContact O-ND2 3.1Å; E22-N26 PolarHBondContact O-OD1 2.78Å; T23-N26 CarbonylContact O-C 3.59Å; N26-A30 VanDerWaalsContact O-CA 3.26Å; N26-A30 WeakPolarHBondContact O-CA 3.46Å; N26-A30 WeakPolarHBondContact O-CB 3Å; N26-A30 PolarHBondContact O-N 2.7Å
27L45.9Very low44.3Very low87 Ų8789.5 Ų89.546%0.45544%0.441SS..Hα-helixtrans-78.9-28.2172.6-112.2116.9000111T23 A24 N31T23-L27 HydrophobicContact CG2-CD1 3.61Å; T23-L27 WeakPolarHBondContact O-CA 3.46Å; T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 WeakPolarHBondContact O-CD1 3.41Å; T23-L27 PolarHBondContact O-N 3.25Å; A24-L27 PolarHBondContact O-N 3.38Å; L27-N31 WeakPolarHBondContact O-CA 3Å; L27-N31 WeakPolarHBondContact O-CB 3.17Å; L27-N31 PolarHBondContact O-N 2.76Å; L27-N31 PolarHBondContact O-ND2 2.72Å
28Y41.5Very low43.8Very low130 Ų13093.8 Ų93.851%0.5146%0.458SS..Hα-helixtrans-81.9-39.9175.2-169.8-88.1000109.6A24 L25 Y32A24-Y28 WeakPolarHBondContact O-CA 3.49Å; A24-Y28 WeakPolarHBondContact O-CB 3.26Å; A24-Y28 PolarHBondContact O-N 2.8Å; L25-Y28 PolarHBondContact O-N 2.69Å; Y28-Y32 WeakPolarHBondContact O-CA 3.35Å; Y28-Y32 WeakPolarHBondContact O-CB 3.12Å; Y28-Y32 PolarHBondContact O-N 3.48Å
29I44.2Very low43.1Very low85 Ų8594.3 Ų94.344%0.43647%0.469SS..Hα-helixtrans-62.4-48.2167.4-70.4166.8000108.4L25 Y32 V33L25-I29 HydrophobicContact CD1-CD1 4.45Å; L25-I29 HydrophobicContact CD2-CD1 4.35Å; L25-I29 HydrophobicContact CG-CD1 3.84Å; L25-I29 HydrophobicContact CG-CG1 4.49Å; L25-I29 WeakPolarHBondContact O-CA 2.97Å; L25-I29 WeakPolarHBondContact O-CB 3.27Å; L25-I29 WeakPolarHBondContact O-CD1 3.11Å; L25-I29 WeakPolarHBondContact O-CG1 3.13Å; L25-I29 PolarHBondContact O-N 3.4Å; I29-Y32 PolarHBondContact O-N 2.75Å; I29-V33 HydrophobicContact CG2-CG2 4.15Å; I29-V33 WeakPolarHBondContact O-CA 3.25Å; I29-V33 WeakPolarHBondContact O-CB 3.09Å; I29-V33 WeakPolarHBondContact O-CG2 3.32Å; I29-V33 PolarHBondContact O-N 2.77Å
30A44.2Very low41.8Very low40 Ų4090.9 Ų90.933%0.33146%0.457SS..Hα-helixtrans-61.3-58.8175.200000109.3N26 Y32 V33 T34N26-A30 VanDerWaalsContact O-CA 3.26Å; N26-A30 WeakPolarHBondContact O-CA 3.46Å; N26-A30 WeakPolarHBondContact O-CB 3Å; N26-A30 PolarHBondContact O-N 2.7Å; A30-Y32 VanDerWaalsContact C-N 3.29Å; A30-Y32 PolarHBondContact O-N 3.25Å; A30-V33 CarbonylContact O-C 3.36Å; A30-V33 WeakPolarHBondContact O-CA 3.41Å; A30-V33 VanDerWaalsContact O-CB 3.29Å; A30-V33 WeakPolarHBondContact O-CB 3.2Å; A30-V33 PolarHBondContact O-N 3.29Å; A30-T34 WeakPolarHBondContact O-CA 3.36Å; A30-T34 VanDerWaalsContact O-CB 3.31Å; A30-T34 WeakPolarHBondContact O-CB 3.45Å; A30-T34 PolarHBondContact O-N 3.19Å; A30-T34 PolarHBondContact O-OG1 3.33Å
31N43.3Very low40.9Very low85 Ų8588.3 Ų88.346%0.45546%0.456SS..Hα-helixtrans-59.2-32.6178.1-73.9-24.2000114.1L27 T34 E35L27-N31 WeakPolarHBondContact O-CA 3Å; L27-N31 WeakPolarHBondContact O-CB 3.17Å; L27-N31 PolarHBondContact O-N 2.76Å; L27-N31 PolarHBondContact O-ND2 2.72Å; N31-T34 CarbonylContact O-C 3.15Å; N31-T34 PolarHBondContact O-N 2.8Å; N31-E35 WeakPolarHBondContact O-CA 3.29Å; N31-E35 WeakPolarHBondContact O-CB 3.06Å; N31-E35 WeakPolarHBondContact O-CG 3.18Å; N31-E35 PolarHBondContact O-N 2.62Å
32Y39.6Very low40.3Very low112 Ų11286.6 Ų86.644%0.43946%0.462SS..Hα-helixtrans-68.1-42.9171.2-179.4-100.1000109.4Y28 I29 A30 T34 K36Y28-Y32 WeakPolarHBondContact O-CA 3.35Å; Y28-Y32 WeakPolarHBondContact O-CB 3.12Å; Y28-Y32 PolarHBondContact O-N 3.48Å; I29-Y32 PolarHBondContact O-N 2.75Å; A30-Y32 VanDerWaalsContact C-N 3.29Å; A30-Y32 PolarHBondContact O-N 3.25Å; Y32-T34 VanDerWaalsContact C-N 3.35Å; Y32-K36 WeakPolarHBondContact O-CB 3.45Å; Y32-K36 PolarHBondContact O-N 3.29Å
33V42.3Very low39.2Very low50 Ų5091.5 Ų91.530%0.30349%0.487SS..Hα-helixtrans-67.7-28.7171.1170.70000111.9I29 A30 K36 E37I29-V33 HydrophobicContact CG2-CG2 4.15Å; I29-V33 WeakPolarHBondContact O-CA 3.25Å; I29-V33 WeakPolarHBondContact O-CB 3.09Å; I29-V33 WeakPolarHBondContact O-CG2 3.32Å; I29-V33 PolarHBondContact O-N 2.77Å; A30-V33 CarbonylContact O-C 3.36Å; A30-V33 WeakPolarHBondContact O-CA 3.41Å; A30-V33 VanDerWaalsContact O-CB 3.29Å; A30-V33 WeakPolarHBondContact O-CB 3.2Å; A30-V33 PolarHBondContact O-N 3.29Å; V33-K36 CarbonylContact O-C 3.58Å; V33-K36 VanDerWaalsContact O-C 3.31Å; V33-K36 WeakPolarHBondContact O-CB 3.31Å; V33-E37 HydrophobicContact CG1-CG 4.25Å; V33-E37 WeakPolarHBondContact O-CA 3Å; V33-E37 WeakPolarHBondContact O-CB 3.45Å; V33-E37 WeakPolarHBondContact O-CG 3.45Å; V33-E37 PolarHBondContact O-N 3.4Å
34T41.2Very low38Very low42 Ų4292.9 Ų92.926%0.25850%0.499SS..Hα-helixtrans-95.7-27.2-173.8-41.60000110.8A30 N31 Y32 E37 K38A30-T34 WeakPolarHBondContact O-CA 3.36Å; A30-T34 VanDerWaalsContact O-CB 3.31Å; A30-T34 WeakPolarHBondContact O-CB 3.45Å; A30-T34 PolarHBondContact O-N 3.19Å; A30-T34 PolarHBondContact O-OG1 3.33Å; N31-T34 CarbonylContact O-C 3.15Å; N31-T34 PolarHBondContact O-N 2.8Å; Y32-T34 VanDerWaalsContact C-N 3.35Å; T34-E37 CarbonylContact O-C 3.56Å; T34-E37 PolarHBondContact O-N 3.12Å; T34-K38 HydrophobicContact CG2-CG 4.44Å; T34-K38 WeakPolarHBondContact O-CA 2.88Å; T34-K38 WeakPolarHBondContact O-CB 3.36Å; T34-K38 WeakPolarHBondContact O-CG 3.07Å; T34-K38 PolarHBondContact O-N 3.48Å
35E38.7Very low37.2Very low141 Ų14196.7 Ų96.766%0.65952%0.517SS*.Hα-helixtrans-69.2-42.3160-86.4-163.1137.300108.6N31 E37 T39N31-E35 WeakPolarHBondContact O-CA 3.29Å; N31-E35 WeakPolarHBondContact O-CB 3.06Å; N31-E35 WeakPolarHBondContact O-CG 3.18Å; N31-E35 PolarHBondContact O-N 2.62Å; E35-E37 PolarHBondContact O-N 3.03Å; E35-T39 WeakPolarHBondContact O-CB 3.14Å; E35-T39 VanDerWaalsContact O-CG2 3.31Å; E35-T39 WeakPolarHBondContact O-CG2 3.46Å; E35-T39 PolarHBondContact O-N 3.37Å; E35-T39 PolarHBondContact O-OG1 3.23Å
36K35.5Very low36.6Very low78 Ų78103.4 Ų103.434%0.33954%0.536SS..Hα-helixtrans-64.9-27170.6-164-179.6-170.5-173.60112.1Y32 V33 T39 T40Y32-K36 WeakPolarHBondContact O-CB 3.45Å; Y32-K36 PolarHBondContact O-N 3.29Å; V33-K36 CarbonylContact O-C 3.58Å; V33-K36 VanDerWaalsContact O-C 3.31Å; V33-K36 WeakPolarHBondContact O-CB 3.31Å; K36-T39 WeakPolarHBondContact CA-OG1 3.43Å; K36-T39 PolarHBondContact O-OG1 3.03Å; K36-T40 VanDerWaalsContact O-CG2 3.25Å; K36-T40 WeakPolarHBondContact O-CG2 3.37Å; K36-T40 PolarHBondContact O-OG1 3.26Å
37E35Very low36.2Very low100 Ų100104.2 Ų104.247%0.46755%0.546SS..Hα-helixtrans-93.3-27.5176.4-76.3164.8170.300113.5V33 T34 E35 T39 T40 S41V33-E37 HydrophobicContact CG1-CG 4.25Å; V33-E37 WeakPolarHBondContact O-CA 3Å; V33-E37 WeakPolarHBondContact O-CB 3.45Å; V33-E37 WeakPolarHBondContact O-CG 3.45Å; V33-E37 PolarHBondContact O-N 3.4Å; T34-E37 CarbonylContact O-C 3.56Å; T34-E37 PolarHBondContact O-N 3.12Å; E35-E37 PolarHBondContact O-N 3.03Å; E37-T39 VanDerWaalsContact C-N 3.35Å; E37-T40 WeakPolarHBondContact CA-OG1 3.05Å; E37-T40 CarbonylContact O-C 3.36Å; E37-T40 WeakPolarHBondContact O-CA 3.17Å; E37-T40 PolarHBondContact O-N 3.38Å; E37-T40 PolarHBondContact O-OG1 3.02Å; E37-S41 WeakPolarHBondContact O-CA 3.44Å; E37-S41 WeakPolarHBondContact O-CB 3.04Å; E37-S41 PolarHBondContact O-N 3.35Å; E37-S41 PolarHBondContact O-OG 3.23Å
38K35Very low35Very low135 Ų135105.4 Ų105.459%0.58756%0.562SS**Hα-helixtrans-75-31.5172.8-83.1175.9177.7177.20110.9T34 T40 S42T34-K38 HydrophobicContact CG2-CG 4.44Å; T34-K38 WeakPolarHBondContact O-CA 2.88Å; T34-K38 WeakPolarHBondContact O-CB 3.36Å; T34-K38 WeakPolarHBondContact O-CG 3.07Å; T34-K38 PolarHBondContact O-N 3.48Å; K38-T40 PolarHBondContact O-N 2.88Å; K38-S42 PolarHBondContact O-N 3.42Å; K38-S42 PolarHBondContact O-OG 3.47Å
39T37.1Very low34.3Very low112 Ų112104.4 Ų104.469%0.68757%0.574SS**Hα-helixtrans-69.9-15.1164.251.30000112.6E35 K36 E37E35-T39 WeakPolarHBondContact O-CB 3.14Å; E35-T39 VanDerWaalsContact O-CG2 3.31Å; E35-T39 WeakPolarHBondContact O-CG2 3.46Å; E35-T39 PolarHBondContact O-N 3.37Å; E35-T39 PolarHBondContact O-OG1 3.23Å; K36-T39 WeakPolarHBondContact CA-OG1 3.43Å; K36-T39 PolarHBondContact O-OG1 3.03Å; E37-T39 VanDerWaalsContact C-N 3.35Å
40T29.5Very low33.6Very low55 Ų55105.1 Ų105.134%0.33758%0.584SS.*Hα-helixtrans-101.9-20.317061.90000115.5K36 E37 K38K36-T40 VanDerWaalsContact O-CG2 3.25Å; K36-T40 WeakPolarHBondContact O-CG2 3.37Å; K36-T40 PolarHBondContact O-OG1 3.26Å; E37-T40 WeakPolarHBondContact CA-OG1 3.05Å; E37-T40 CarbonylContact O-C 3.36Å; E37-T40 WeakPolarHBondContact O-CA 3.17Å; E37-T40 PolarHBondContact O-N 3.38Å; E37-T40 PolarHBondContact O-OG1 3.02Å; K38-T40 PolarHBondContact O-N 2.88Å
41S29.1Very low32.5Very low79 Ų79109.7 Ų109.755%0.55261%0.608SS**Hα-helixtrans-115.5-11-17061.60000116.2E37E37-S41 WeakPolarHBondContact O-CA 3.44Å; E37-S41 WeakPolarHBondContact O-CB 3.04Å; E37-S41 PolarHBondContact O-N 3.35Å; E37-S41 PolarHBondContact O-OG 3.23Å
42S32.7Very low31.5Very low82 Ų82109 Ų10957%0.57362%0.62SS**  trans-115.262.5177.766.80000113.5K38K38-S42 PolarHBondContact O-N 3.42Å; K38-S42 PolarHBondContact O-OG 3.47Å
43M27Very low30.7Very low199 Ų199110.8 Ų110.898%0.9864%0.636SS**SBendtrans-119.855.8140.5-81.8-148.9111.900110.6
44S24.5Very low29.8Very low95 Ų95114.8 Ų114.866%0.66466%0.655SS**SBendtrans-170.5121151.4106.50000105.2
45V25.2Very low28.9Very low138 Ų138121.2 Ų121.284%0.83668%0.68SS**  cis-155.214823.4173.90000110.1
46R30.7Very low28.2Very low231 Ų231122.3 Ų122.387%0.87269%0.685SS**  trans-55.7-177.8171.6-96.2176.7173.6178.7-2.6115.1
47P37.3Very low27.7Very low112 Ų112127.3 Ų127.373%0.72770%0.701SS**  cis-130.3174.8-15.528.5-4.3000111.6
48S22.2Very low27.5Very low113 Ų113128.2 Ų128.279%0.7970%0.704SS**  179.1149.369.644.60000109.4
49S25.5Very low27.2Very low109 Ų109132.3 Ų132.376%0.76272%0.716SS**  trans-53.4-180-174.277.90000116.2
50P29.7Very low26.5Very low100 Ų100130.5 Ų130.565%0.64971%0.707SS**  cis-142.2172.93.334.1-11.5000116.2
51T22.4Very low26.4Very low136 Ų136131.6 Ų131.683%0.83471%0.714SS**  trans57.6117.1147.543.20000120.8
52G22.2Very low26.2Very low69 Ų69138 Ų13871%0.71173%0.728SS**  trans92.1134160.600000112.2
53I22.8Very low25.9Very low151 Ų151139.8 Ų139.877%0.77473%0.731SS**  cis177.5140.736.1-103.7155000104.5
54L22.4Very low26.2Very low134 Ų134136 Ų13670%0.70271%0.71SS**  trans82.4101.8160.6-62.2159.3000118.2
55K23.6Very low27Very low177 Ų177134.3 Ų134.377%0.7770%0.699SS**  66.9108.284.5-74.6-171.4-167.1167.70113.2
56Q24Very low27.9Very low163 Ų163128.6 Ų128.676%0.76266%0.664SS**  trans176.399.3134.3-98.8174.17.400109
57R25.1Very low28.7Very low183 Ų183120.4 Ų120.469%0.69164%0.637SS**  77.9111.689.5-93.4-172.8172.4178.9-3.7116E434R57-E434 PolarHBondContact N-OE1 3.16Å
58K30.9Very low29.1Very low120 Ų120117.2 Ų117.252%0.52262%0.62SS.*  trans-30.3151.7149.7-53.8177.3-166.4-159.30117L430K58-L430 HydrophobicContact CD-CB 4.06Å; K58-L430 HydrophobicContact CD-CD1 3.72Å; K58-L430 HydrophobicContact CD-CD2 4.3Å; K58-L430 HydrophobicContact CD-CG 4.18Å; K58-L430 HydrophobicContact CG-CB 4.14Å; K58-L430 HydrophobicContact CG-CD1 4.06Å; K58-L430 HydrophobicContact CG-CD2 3.7Å; K58-L430 HydrophobicContact CG-CG 4.13Å
59R26.9Very low30.3Very low221 Ų221112.8 Ų112.883%0.83459%0.587SS**  trans-170.2112.2131.6-100178.3-177.5178.30.7107.8
60S24.1Very low31.5Very low73 Ų73107.6 Ų107.651%0.5155%0.551SS.*  75.7113.183.467.90000115.7
61T26.7Very low32.3Very low78 Ų78108.2 Ų108.248%0.47954%0.544SS..SBendtrans-11.6125.9143.749.20000116.1Y548T61-Y548 WeakPolarHBondContact CA-OH 3.47Å; T61-Y548 HydrophobicContact CG2-CD1 3.83Å; T61-Y548 HydrophobicContact CG2-CD2 3.77Å; T61-Y548 HydrophobicContact CG2-CE1 3.32Å; T61-Y548 HydrophobicContact CG2-CE2 3.29Å; T61-Y548 HydrophobicContact CG2-CG 4.04Å; T61-Y548 WeakPolarHBondContact CG2-OH 3.41Å; T61-Y548 PolarHBondContact N-OH 3.34Å; T61-Y548 VanDerWaalsContact N-OH 3.11Å
62Y24.7Very low33.5Very low215 Ų215107.1 Ų107.184%0.84352%0.524SS*.SBendtrans76.165.8-170.2-72.1-86.8000115.4
63D27.4Very low34.9Very low118 Ų118104 Ų10463%0.63149%0.491SS*.  trans-16690.7164-95.9-34.8000109.1S65D63-S65 PolarHBondContact O-N 2.98Å; D63-S65 VanDerWaalsContact O-N 3.14Å
64E31.9Very low36.2Very low119 Ų11997.2 Ų97.256%0.55646%0.458SS*.  trans-64.2107.4136.7-88.3-170161.900102.4L66 I69E64-L66 PolarHBondContact O-N 3.04Å; E64-L66 VanDerWaalsContact O-N 3.13Å; E64-I69 HydrophobicContact CB-CD1 3.91Å; E64-I69 HydrophobicContact CB-CG1 3.66Å; E64-I69 WeakPolarHBondContact OE2-CG1 3.46Å
65S42.2Very low37.2Very low60 Ų6094.9 Ų94.942%0.4245%0.452SS..  trans-48.4132.2-177.573.90000107.2D63 L67 A68 I69D63-S65 PolarHBondContact O-N 2.98Å; D63-S65 VanDerWaalsContact O-N 3.14Å; S65-L67 CarbonylContact O-C 3.59Å; S65-L67 PolarHBondContact O-N 2.64Å; S65-A68 WeakPolarHBondContact O-CA 3.48Å; S65-A68 WeakPolarHBondContact O-CB 3.4Å; S65-A68 PolarHBondContact O-N 2.65Å; S65-A68 PolarHBondContact OG-N 2.61Å; S65-I69 PolarHBondContact O-N 2.87Å
66L44.6Very low38.4Very low19 Ų1990.5 Ų90.510%0.09943%0.434CS..Hα-helixtrans-49.6-28.1-177.9164.672.1000110.7E64 I69 L70 F91 M218 L221E64-L66 PolarHBondContact O-N 3.04Å; E64-L66 VanDerWaalsContact O-N 3.13Å; L66-I69 PolarHBondContact O-N 2.72Å; L66-L70 HydrophobicContact CD1-CD1 4.04Å; L66-L70 HydrophobicContact CD1-CG 4.08Å; L66-L70 HydrophobicContact CD2-CD1 4.47Å; L66-L70 HydrophobicContact CG-CD1 3.75Å; L66-L70 HydrophobicContact CG-CG 4.29Å; L66-L70 VanDerWaalsContact O-CB 3.24Å; L66-L70 WeakPolarHBondContact O-CB 3.34Å; L66-L70 WeakPolarHBondContact O-CD1 3.47Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.42Å; L66-F91 HydrophobicContact CB-CE1 3.93Å; L66-F91 HydrophobicContact CB-CZ 3.57Å; L66-F91 HydrophobicContact CD2-CE1 3.6Å; L66-F91 HydrophobicContact CD2-CZ 3.35Å; L66-F91 HydrophobicContact CG-CE1 4.24Å; L66-F91 HydrophobicContact CG-CZ 3.7Å; L66-M218 HydrophobicContact CD1-CE 3.72Å; L66-M218 HydrophobicContact CD1-SD 3.43Å; L66-M218 WeakPolarHBondContact CD1-SD 3.32Å; L66-L221 HydrophobicContact CD1-CB 4.18Å; L66-L221 HydrophobicContact CD1-CD1 3.86Å; L66-L221 HydrophobicContact CD2-CB 4.34Å
67L46.1Very low39.7Very low59 Ų5983.7 Ų83.731%0.30940%0.403SS..Hα-helixtrans-57.5-45.3168.1-145.388.3000114.8S65 F71 Y87S65-L67 CarbonylContact O-C 3.59Å; S65-L67 PolarHBondContact O-N 2.64Å; L67-F71 WeakPolarHBondContact O-CB 3.36Å; L67-F71 PolarHBondContact O-N 2.95Å; L67-Y87 HydrophobicContact CD1-CD1 4.11Å; L67-Y87 HydrophobicContact CD1-CD2 3.55Å; L67-Y87 HydrophobicContact CD1-CE2 4.25Å; L67-Y87 HydrophobicContact CD1-CG 3.43Å; L67-Y87 VanDerWaalsContact CD1-CG 3.43Å
68A45.4Very low41Very low45 Ų4578.1 Ų78.137%0.37240%0.403SS..Hα-helixtrans-66.5-39.6175.600000112.4S65 F71 R72S65-A68 WeakPolarHBondContact O-CA 3.48Å; S65-A68 WeakPolarHBondContact O-CB 3.4Å; S65-A68 PolarHBondContact O-N 2.65Å; S65-A68 PolarHBondContact OG-N 2.61Å; A68-F71 PolarHBondContact O-N 3.37Å; A68-R72 WeakPolarHBondContact O-CB 3.36Å; A68-R72 PolarHBondContact O-N 2.52Å
69I47.7Very low42.3Very low19 Ų1972.9 Ų72.910%0.09738%0.382CS..Hα-helixtrans-66-47.6175.6-57.3175.4000110.2E64 S65 L66 F71 R72 M73 M218E64-I69 HydrophobicContact CB-CD1 3.91Å; E64-I69 HydrophobicContact CB-CG1 3.66Å; E64-I69 WeakPolarHBondContact OE2-CG1 3.46Å; S65-I69 PolarHBondContact O-N 2.87Å; L66-I69 PolarHBondContact O-N 2.72Å; I69-F71 VanDerWaalsContact C-N 3.33Å; I69-F71 PolarHBondContact O-N 3.21Å; I69-R72 WeakPolarHBondContact O-CB 3.17Å; I69-R72 PolarHBondContact O-N 2.7Å; I69-M73 HydrophobicContact CG2-CE 3.82Å; I69-M73 PolarHBondContact O-N 3.41Å; I69-M218 HydrophobicContact CB-SD 4.24Å; I69-M218 HydrophobicContact CG2-CG 4.11Å; I69-M218 HydrophobicContact CG2-SD 3.58Å; I69-M218 VanDerWaalsContact CG2-SD 3.58Å
70L50.1Low43.6Very low0 Ų064 Ų640%035%0.351CS..Hα-helixtrans-60.6-41.9175.4-71.3164.7000111.8L66 R72 M73 A74 Y87 V183 F186 L187 M218L66-L70 HydrophobicContact CD1-CD1 4.04Å; L66-L70 HydrophobicContact CD1-CG 4.08Å; L66-L70 HydrophobicContact CD2-CD1 4.47Å; L66-L70 HydrophobicContact CG-CD1 3.75Å; L66-L70 HydrophobicContact CG-CG 4.29Å; L66-L70 VanDerWaalsContact O-CB 3.24Å; L66-L70 WeakPolarHBondContact O-CB 3.34Å; L66-L70 WeakPolarHBondContact O-CD1 3.47Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.42Å; L70-R72 VanDerWaalsContact C-N 3.35Å; L70-M73 HydrophobicContact CD2-CE 3.98Å; L70-M73 HydrophobicContact CG-CE 4.38Å; L70-M73 PolarHBondContact O-N 3.42Å; L70-A74 WeakPolarHBondContact O-CB 3.49Å; L70-A74 PolarHBondContact O-N 2.71Å; L70-Y87 HydrophobicContact CD1-CD1 3.9Å; L70-Y87 HydrophobicContact CD1-CE1 3.19Å; L70-Y87 HydrophobicContact CG-CE1 4.49Å; L70-V183 HydrophobicContact CD2-CG1 4.37Å; L70-F186 HydrophobicContact CB-CE1 4.23Å; L70-F186 HydrophobicContact CD2-CD1 3.61Å; L70-F186 HydrophobicContact CD2-CE1 3.38Å; L70-F186 HydrophobicContact CG-CE1 4.42Å; L70-F186 VanDerWaalsContact O-CZ 3.27Å; L70-F186 WeakPolarHBondContact O-CZ 3.35Å; L70-L187 HydrophobicContact CD2-CD2 3.89Å; L70-M218 HydrophobicContact CD2-CE 3.49Å; L70-M218 VanDerWaalsContact CD2-CE 3.49Å; L70-M218 HydrophobicContact CG-CE 4.04Å
71F48.3Very low45Very low114 Ų11463.3 Ų63.350%0.534%0.341SS..Hα-helixtrans-62.9-42.5175.5-176.3-89000111.5L67 A68 I69 A74 C75 I81L67-F71 WeakPolarHBondContact O-CB 3.36Å; L67-F71 PolarHBondContact O-N 2.95Å; A68-F71 PolarHBondContact O-N 3.37Å; I69-F71 VanDerWaalsContact C-N 3.33Å; I69-F71 PolarHBondContact O-N 3.21Å; F71-A74 WeakPolarHBondContact O-CB 3.06Å; F71-A74 PolarHBondContact O-N 2.69Å; F71-C75 WeakPolarHBondContact CE1-SG 3.32Å; F71-C75 PolarHBondContact O-N 3.43Å; F71-C75 PolarHBondContact O-SG 3.36Å; F71-I81 HydrophobicContact CB-CD1 4.01Å; F71-I81 HydrophobicContact CD2-CD1 3.22Å; F71-I81 HydrophobicContact CE2-CD1 3.94Å; F71-I81 HydrophobicContact CG-CD1 3.94Å
72R47.2Very low46.3Very low113 Ų11359.7 Ų59.743%0.42632%0.319SS..Hα-helixtrans-61.9-44.9175.5-175177.8178.6165.73.4111.7A68 I69 L70 A74 C75 E76A68-R72 WeakPolarHBondContact O-CB 3.36Å; A68-R72 PolarHBondContact O-N 2.52Å; I69-R72 WeakPolarHBondContact O-CB 3.17Å; I69-R72 PolarHBondContact O-N 2.7Å; L70-R72 VanDerWaalsContact C-N 3.35Å; R72-A74 VanDerWaalsContact C-N 3.34Å; R72-A74 PolarHBondContact O-N 2.72Å; R72-C75 WeakPolarHBondContact O-CB 3.36Å; R72-C75 PolarHBondContact O-N 3.43Å; R72-E76 IonicContact NE-OE1 2.7Å; R72-E76 PolarHBondContact NE-OE1 2.92Å; R72-E76 VanDerWaalsContact NE-OE1 3.16Å; R72-E76 WeakPolarHBondContact O-CG 3.06Å; R72-E76 PolarHBondContact O-N 2.93Å
73M50.9Low47.5Very low3 Ų350.8 Ų50.82%0.01529%0.287CS..Hα-helixtrans-64.1-39.4176.2-74-176.9-68.600112.3I69 L70 C75 E76 T77 F186 L187 V190 M214 M218I69-M73 HydrophobicContact CG2-CE 3.82Å; I69-M73 PolarHBondContact O-N 3.41Å; L70-M73 HydrophobicContact CD2-CE 3.98Å; L70-M73 HydrophobicContact CG-CE 4.38Å; L70-M73 PolarHBondContact O-N 3.42Å; M73-C75 VanDerWaalsContact C-N 3.29Å; M73-C75 PolarHBondContact O-N 3.11Å; M73-E76 PolarHBondContact O-N 3.18Å; M73-T77 WeakPolarHBondContact O-CB 3.4Å; M73-T77 WeakPolarHBondContact O-CG2 3.29Å; M73-T77 PolarHBondContact O-N 2.7Å; M73-T77 PolarHBondContact O-OG1 2.87Å; M73-F186 HydrophobicContact CB-CE1 4.4Å; M73-F186 HydrophobicContact CB-CZ 4.11Å; M73-F186 HydrophobicContact CE-CE1 4.39Å; M73-L187 HydrophobicContact CE-CD2 4.03Å; M73-L187 HydrophobicContact SD-CD2 4.49Å; M73-V190 HydrophobicContact CB-CG1 4.26Å; M73-V190 HydrophobicContact CB-CG2 4.08Å; M73-V190 HydrophobicContact CG-CG1 4.36Å; M73-V190 HydrophobicContact SD-CG1 4Å; M73-M214 HydrophobicContact CG-CE 3.7Å; M73-M214 HydrophobicContact SD-CE 4.03Å; M73-M218 HydrophobicContact CE-CE 3.3Å; M73-M218 HydrophobicContact CE-CG 3.89Å; M73-M218 HydrophobicContact CE-SD 3.62Å; M73-M218 HydrophobicContact SD-CG 4.31Å
74A50.9Low48.2Very low9 Ų950.8 Ų50.87%0.07429%0.287CS..Hα-helixtrans-61.1-41.1173.900000111.6L70 F71 R72 G78 A79 I81 F186L70-A74 WeakPolarHBondContact O-CB 3.49Å; L70-A74 PolarHBondContact O-N 2.71Å; F71-A74 WeakPolarHBondContact O-CB 3.06Å; F71-A74 PolarHBondContact O-N 2.69Å; R72-A74 VanDerWaalsContact C-N 3.34Å; R72-A74 PolarHBondContact O-N 2.72Å; A74-G78 CarbonylContact O-C 3.47Å; A74-G78 WeakPolarHBondContact O-CA 3.29Å; A74-G78 PolarHBondContact O-N 2.89Å; A74-A79 WeakPolarHBondContact CA-O 3.48Å; A74-A79 WeakPolarHBondContact CB-O 3.28Å; A74-A79 PolarHBondContact O-N 3.05Å; A74-I81 HydrophobicContact CB-CD1 3.71Å; A74-I81 HydrophobicContact CB-CG1 3.2Å; A74-F186 HydrophobicContact CB-CE2 3.74Å; A74-F186 HydrophobicContact CB-CZ 3.87Å
75C43.3Very low48.5Very low85 Ų8547 Ų4757%0.57427%0.273SS*.Hα-helixtrans-66.4-41.8175.6-66.30000112.4F71 R72 M73F71-C75 WeakPolarHBondContact CE1-SG 3.32Å; F71-C75 PolarHBondContact O-N 3.43Å; F71-C75 PolarHBondContact O-SG 3.36Å; R72-C75 WeakPolarHBondContact O-CB 3.36Å; R72-C75 PolarHBondContact O-N 3.43Å; M73-C75 VanDerWaalsContact C-N 3.29Å; M73-C75 PolarHBondContact O-N 3.11Å
76E48.2Very low48.7Very low85 Ų8544.2 Ų44.240%0.39725%0.253SS..Hα-helixtrans-71.6-34.1-179-76-178.5-165.200113R72 M73 F193 Y194R72-E76 IonicContact NE-OE1 2.7Å; R72-E76 PolarHBondContact NE-OE1 2.92Å; R72-E76 VanDerWaalsContact NE-OE1 3.16Å; R72-E76 WeakPolarHBondContact O-CG 3.06Å; R72-E76 PolarHBondContact O-N 2.93Å; M73-E76 PolarHBondContact O-N 3.18Å; E76-F193 WeakPolarHBondContact O-CZ 3.49Å; E76-Y194 PolarHBondContact OE2-OH 3.36Å
77T51.9Low48.5Very low19 Ų1943.5 Ų43.512%0.11725%0.249CC..Hα-helixtrans-104.1-15-173.364.20000113.9M73 A79 V190 F193 Y194M73-T77 WeakPolarHBondContact O-CB 3.4Å; M73-T77 WeakPolarHBondContact O-CG2 3.29Å; M73-T77 PolarHBondContact O-N 2.7Å; M73-T77 PolarHBondContact O-OG1 2.87Å; T77-A79 PolarHBondContact O-N 3.31Å; T77-A79 VanDerWaalsContact OG1-CB 3.24Å; T77-A79 WeakPolarHBondContact OG1-CB 3.35Å; T77-A79 PolarHBondContact OG1-N 2.7Å; T77-V190 HydrophobicContact CG2-CB 4.27Å; T77-V190 HydrophobicContact CG2-CG1 3.91Å; T77-V190 HydrophobicContact CG2-CG2 4.21Å; T77-F193 HydrophobicContact CG2-CB 4.01Å; T77-F193 HydrophobicContact CG2-CD1 3.46Å; T77-F193 VanDerWaalsContact CG2-CD1 3.46Å; T77-F193 HydrophobicContact CG2-CE1 4.01Å; T77-F193 HydrophobicContact CG2-CG 3.77Å; T77-Y194 HydrophobicContact CG2-CE2 4.15Å
78G52Low48Very low67 Ų6742.7 Ų42.769%0.69125%0.251SS*.  trans72.32.2-168.900000114A74A74-G78 CarbonylContact O-C 3.47Å; A74-G78 WeakPolarHBondContact O-CA 3.29Å; A74-G78 PolarHBondContact O-N 2.89Å
79A57.7Low47.7Very low10 Ų1044.7 Ų44.78%0.08325%0.249CC..PPolyproline II helixtrans-64.4141.8177.400000110.5A74 T77 F186 E189 V190A74-A79 WeakPolarHBondContact CA-O 3.48Å; A74-A79 WeakPolarHBondContact CB-O 3.28Å; A74-A79 PolarHBondContact O-N 3.05Å; T77-A79 PolarHBondContact O-N 3.31Å; T77-A79 VanDerWaalsContact OG1-CB 3.24Å; T77-A79 WeakPolarHBondContact OG1-CB 3.35Å; T77-A79 PolarHBondContact OG1-N 2.7Å; A79-F186 HydrophobicContact CB-CD2 3.89Å; A79-F186 HydrophobicContact CB-CE2 3.64Å; A79-E189 HydrophobicContact CB-CB 4.05Å; A79-V190 HydrophobicContact CB-CG2 4.01Å
80L54Low47.2Very low35 Ų3546.3 Ų46.318%0.18326%0.257CS..PPolyproline II helixtrans-82.1128-169.9-140.2142.2000109.6P82 Y114 E118 F186L80-P82 VanDerWaalsContact O-CD 3.28Å; L80-P82 WeakPolarHBondContact O-CD 2.93Å; L80-Y114 HydrophobicContact CB-CE2 4.2Å; L80-Y114 HydrophobicContact CD2-CD2 4.32Å; L80-Y114 HydrophobicContact CD2-CE2 4.06Å; L80-Y114 PolarHBondContact O-OH 3.32Å; L80-E118 HydrophobicContact CB-CG 4.36Å; L80-E118 WeakPolarHBondContact CB-OE2 2.95Å; L80-E118 WeakPolarHBondContact CD1-OE1 2.95Å; L80-F186 WeakPolarHBondContact O-CD2 3.35Å
81I54.2Low46.4Very low57 Ų5751.5 Ų51.529%0.29228%0.28SS..PPolyproline II helixtrans-66.9128.4-179.2-61.2174.1000109.7F71 A74 Y87F71-I81 HydrophobicContact CB-CD1 4.01Å; F71-I81 HydrophobicContact CD2-CD1 3.22Å; F71-I81 HydrophobicContact CE2-CD1 3.94Å; F71-I81 HydrophobicContact CG-CD1 3.94Å; A74-I81 HydrophobicContact CB-CD1 3.71Å; A74-I81 HydrophobicContact CB-CG1 3.2Å; I81-Y87 HydrophobicContact CG2-CE2 3.64Å
82P53Low45.8Very low3 Ų351.3 Ų51.32%0.01928%0.281CS..PPolyproline II helixtrans-48.1150.5171.5-30.328000113.6L80 L84 T86 Y87 Y114 C182 V183 F186L80-P82 VanDerWaalsContact O-CD 3.28Å; L80-P82 WeakPolarHBondContact O-CD 2.93Å; P82-L84 PolarHBondContact O-N 3.1Å; P82-T86 HydrophobicContact CB-CG2 4.03Å; P82-Y87 HydrophobicContact CB-CE2 3.92Å; P82-Y87 WeakPolarHBondContact CD-OH 3.26Å; P82-Y87 HydrophobicContact CG-CE2 4.42Å; P82-Y87 WeakPolarHBondContact CG-OH 3.27Å; P82-Y87 VanDerWaalsContact O-CE2 3.27Å; P82-Y87 WeakPolarHBondContact O-CE2 3.29Å; P82-Y114 HydrophobicContact CB-CE1 4.38Å; P82-Y114 WeakPolarHBondContact CD-OH 3.47Å; P82-Y114 HydrophobicContact CG-CE1 4.27Å; P82-C182 HydrophobicContact CB-CB 4.15Å; P82-V183 HydrophobicContact CG-CG2 4.38Å; P82-F186 HydrophobicContact CG-CB 3.64Å; P82-F186 HydrophobicContact CG-CG 4.11Å
83P49.9Very low45Very low27 Ų2749.5 Ų49.518%0.17530%0.298CS..PPolyproline II helixtrans-52.8140.2-179.9-25.933.8000112.2C85 T86 M111 Y114P83-C85 PolarHBondContact O-N 3Å; P83-T86 WeakPolarHBondContact O-CA 3.36Å; P83-T86 WeakPolarHBondContact O-CB 3.4Å; P83-T86 PolarHBondContact O-N 3.4Å; P83-T86 PolarHBondContact O-OG1 3.04Å; P83-M111 HydrophobicContact CG-CG 4.37Å; P83-Y114 HydrophobicContact CG-CD2 4.39Å; P83-Y114 HydrophobicContact CG-CG 4.16Å
84L41.7Very low43.9Very low119 Ų11953.6 Ų53.662%0.62333%0.326SS*.Hα-helixtrans-52.6-33.7-174.8-126.2133000113.9P82 T86 Y87 A88P82-L84 PolarHBondContact O-N 3.1Å; L84-T86 PolarHBondContact O-N 2.87Å; L84-Y87 PolarHBondContact O-N 3.12Å; L84-A88 PolarHBondContact O-N 3.15Å; L84-A88 VanDerWaalsContact O-N 3.12Å
85C40Very low42.7Very low40 Ų4060.3 Ų60.327%0.2736%0.356SS..Hα-helixtrans-62.8-23.6174.750.80000114P83 R89 M111P83-C85 PolarHBondContact O-N 3Å; C85-R89 WeakPolarHBondContact O-CB 3.45Å; C85-R89 WeakPolarHBondContact O-CG 3.48Å; C85-R89 PolarHBondContact O-N 2.94Å; C85-M111 HydrophobicContact CB-CE 3.88Å; C85-M111 WeakPolarHBondContact SG-CE 3.44Å
86T45.6Very low41.9Very low0 Ų062.7 Ų62.70%036%0.357CS..Hα-helixtrans-64.9-43.1175-49.80000110.4P82 P83 L84 L90 P179 C182 V183P82-T86 HydrophobicContact CB-CG2 4.03Å; P83-T86 WeakPolarHBondContact O-CA 3.36Å; P83-T86 WeakPolarHBondContact O-CB 3.4Å; P83-T86 PolarHBondContact O-N 3.4Å; P83-T86 PolarHBondContact O-OG1 3.04Å; L84-T86 PolarHBondContact O-N 2.87Å; T86-L90 HydrophobicContact CG2-CD1 4.32Å; T86-L90 WeakPolarHBondContact O-CD1 2.98Å; T86-L90 WeakPolarHBondContact O-CG 3.48Å; T86-L90 PolarHBondContact O-N 3.41Å; T86-P179 VanDerWaalsContact CG2-CA 3.48Å; T86-P179 HydrophobicContact CG2-CB 3.73Å; T86-P179 WeakPolarHBondContact CG2-O 2.96Å; T86-C182 HydrophobicContact CG2-CB 3.85Å; T86-V183 HydrophobicContact CG2-CG2 3.68Å
87Y41.3Very low40.8Very low5 Ų565.2 Ų65.22%0.0237%0.373CS..Hα-helixtrans-77.7-46.6-178.9-62.4-59.8000111.9L67 L70 I81 P82 L84 R89 L90 F91 V183L67-Y87 HydrophobicContact CD1-CD1 4.11Å; L67-Y87 HydrophobicContact CD1-CD2 3.55Å; L67-Y87 HydrophobicContact CD1-CE2 4.25Å; L67-Y87 HydrophobicContact CD1-CG 3.43Å; L67-Y87 VanDerWaalsContact CD1-CG 3.43Å; L70-Y87 HydrophobicContact CD1-CD1 3.9Å; L70-Y87 HydrophobicContact CD1-CE1 3.19Å; L70-Y87 HydrophobicContact CG-CE1 4.49Å; I81-Y87 HydrophobicContact CG2-CE2 3.64Å; P82-Y87 HydrophobicContact CB-CE2 3.92Å; P82-Y87 WeakPolarHBondContact CD-OH 3.26Å; P82-Y87 HydrophobicContact CG-CE2 4.42Å; P82-Y87 WeakPolarHBondContact CG-OH 3.27Å; P82-Y87 VanDerWaalsContact O-CE2 3.27Å; P82-Y87 WeakPolarHBondContact O-CE2 3.29Å; L84-Y87 PolarHBondContact O-N 3.12Å; Y87-R89 PolarHBondContact O-N 3.22Å; Y87-L90 PolarHBondContact O-N 3.29Å; Y87-F91 HydrophobicContact CD1-CE2 4.32Å; Y87-F91 WeakPolarHBondContact O-CD2 3.42Å; Y87-F91 PolarHBondContact O-N 3.41Å; Y87-V183 HydrophobicContact CD1-CG2 4.33Å; Y87-V183 HydrophobicContact CE1-CG2 3.68Å
88A34.1Very low39.6Very low41 Ų4174 Ų7434%0.33941%0.413SS..Hα-helixtrans-51.6-44.2175.300000111.4L84 Q92L84-A88 PolarHBondContact O-N 3.15Å; L84-A88 VanDerWaalsContact O-N 3.12Å; A88-Q92 WeakPolarHBondContact O-CB 3.08Å; A88-Q92 WeakPolarHBondContact O-CG 3.12Å; A88-Q92 PolarHBondContact O-N 2.8Å; A88-Q92 PolarHBondContact O-OE1 2.95Å
89R40.7Very low38.3Very low88 Ų8875.4 Ų75.433%0.33241%0.412SS..Hα-helixtrans-74.4-29.3178.1-73.9-177.4176.6170.20.3115C85 Y87 P179C85-R89 WeakPolarHBondContact O-CB 3.45Å; C85-R89 WeakPolarHBondContact O-CG 3.48Å; C85-R89 PolarHBondContact O-N 2.94Å; Y87-R89 PolarHBondContact O-N 3.22Å; R89-P179 HydrophobicContact CB-CG 4.41Å
90L36.2Very low37Very low52 Ų5281.9 Ų81.927%0.27244%0.444SS..Hα-helixtrans-71.6-35174.5-85.9161.5000112T86 Y87 P179 A180 V183 P223T86-L90 HydrophobicContact CG2-CD1 4.32Å; T86-L90 WeakPolarHBondContact O-CD1 2.98Å; T86-L90 WeakPolarHBondContact O-CG 3.48Å; T86-L90 PolarHBondContact O-N 3.41Å; Y87-L90 PolarHBondContact O-N 3.29Å; L90-P179 HydrophobicContact CD1-CB 4.43Å; L90-P179 HydrophobicContact CG-CB 4.3Å; L90-A180 HydrophobicContact CD2-CB 4.38Å; L90-V183 HydrophobicContact CD1-CB 4.38Å; L90-V183 HydrophobicContact CD1-CG2 3.46Å; L90-V183 VanDerWaalsContact CD1-CG2 3.46Å; L90-P223 HydrophobicContact CD2-CG 4.06Å
91F32.8Very low35.8Very low110 Ų11084.4 Ų84.448%0.48247%0.47SS..Hα-helixtrans-89.4-19.3178.6-61.5-66.3000114.2L66 Y87 G93L66-F91 HydrophobicContact CB-CE1 3.93Å; L66-F91 HydrophobicContact CB-CZ 3.57Å; L66-F91 HydrophobicContact CD2-CE1 3.6Å; L66-F91 HydrophobicContact CD2-CZ 3.35Å; L66-F91 HydrophobicContact CG-CE1 4.24Å; L66-F91 HydrophobicContact CG-CZ 3.7Å; Y87-F91 HydrophobicContact CD1-CE2 4.32Å; Y87-F91 WeakPolarHBondContact O-CD2 3.42Å; Y87-F91 PolarHBondContact O-N 3.41Å; F91-G93 PolarHBondContact O-N 3.45Å
92Q35.3Very low34.6Very low109 Ų10990.4 Ų90.451%0.50950%0.497SS..  trans-85.822.5176.8-74.8173.7-1700113.6A88 S94A88-Q92 WeakPolarHBondContact O-CB 3.08Å; A88-Q92 WeakPolarHBondContact O-CG 3.12Å; A88-Q92 PolarHBondContact O-N 2.8Å; A88-Q92 PolarHBondContact O-OE1 2.95Å; Q92-S94 PolarHBondContact O-N 3.4Å; Q92-S94 VanDerWaalsContact O-N 3.11Å
93G30.8Very low33.9Very low76 Ų7694.9 Ų94.978%0.78452%0.521SS*.SBendtrans-63.3-9174.800000114.9F91F91-G93 PolarHBondContact O-N 3.45Å
94S28.7Very low33.3Very low88 Ų8898.1 Ų98.162%0.61553%0.533SS*.SBendtrans-135.4130.3167.760.30000110.8Q92Q92-S94 PolarHBondContact O-N 3.4Å; Q92-S94 VanDerWaalsContact O-N 3.11Å
95E25.2Very low33.3Very low150 Ų15096.5 Ų96.570%0.70153%0.532SS*.SBendtrans85.17156.8-54.5-167145.700123.5
96F26.4Very low33.2Very low135 Ų13597.1 Ų97.159%0.59254%0.54SS*.  trans-112.288.2171.6-88.9-86.4000114.4
97N25.5Very low33.4Very low138 Ų13897.7 Ų97.774%0.73855%0.546SS*.  trans22.4125.8151.4-84.2-11.7000120.2S99N97-S99 PolarHBondContact O-N 3.33Å
98E25.4Very low34.1Very low204 Ų20498 Ų9895%0.95355%0.548SS*.SBendtrans-58.327.6170.2-59.4-178.613200116.5
99S26.4Very low35.2Very low96 Ų9698.8 Ų98.867%0.67155%0.546SS*.  trans-109.68.1-167.867.10000117.2N97N97-S99 PolarHBondContact O-N 3.33Å
100I30.3Very low35.8Very low146 Ų14695.9 Ų95.975%0.74954%0.539SS*.  trans-117.775.8170.9-48.7179.1000109.4E102I100-E102 VanDerWaalsContact C-N 3.28Å; I100-E102 PolarHBondContact O-N 3.19Å
101A27.8Very low36.9Very low88 Ų8893.4 Ų93.473%0.72753%0.526SS*.  trans-80.51.6177.200000114
102E29.4Very low38.2Very low183 Ų18388.2 Ų88.286%0.85550%0.503SS*.SBendtrans-1050-166.9-69.1-163.9158.900117.2I100I100-E102 VanDerWaalsContact C-N 3.28Å; I100-E102 PolarHBondContact O-N 3.19Å
103D37.3Very low39.5Very low98 Ų9883.3 Ų83.352%0.52448%0.48SS..  trans-151.841.4174.4-132.5-13000115.9S105 A106D103-S105 PolarHBondContact O-N 3.09Å; D103-S105 VanDerWaalsContact O-N 3.12Å; D103-A106 HydrophobicContact CB-CB 4.21Å; D103-A106 VanDerWaalsContact CG-CB 3.46Å; D103-A106 PolarHBondContact O-N 3.19Å; D103-A106 VanDerWaalsContact OD1-CB 3.32Å; D103-A106 WeakPolarHBondContact OD1-CB 3.47Å
104E38.5Very low41.1Very low95 Ų9580.4 Ų80.444%0.44445%0.446SS..THydrogen-bonded Turntrans-59.3-23.9176-74.4-161.5155.600113.1V108 R175E104-V108 WeakPolarHBondContact O-CG2 3.47Å; E104-R175 IonicContact OE2-CZ 3.93Å; E104-R175 IonicContact OE2-NH1 3.75Å; E104-R175 PolarHBondContact OE2-NH1 3.09Å
105S40.5Very low42.8Very low85 Ų8576.3 Ų76.359%0.59442%0.417SS*.THydrogen-bonded Turntrans-73-36.2176.434.40000114.1D103 G107 V108D103-S105 PolarHBondContact O-N 3.09Å; D103-S105 VanDerWaalsContact O-N 3.12Å; S105-G107 VanDerWaalsContact C-N 3.27Å; S105-G107 PolarHBondContact O-N 3.25Å; S105-V108 PolarHBondContact O-N 3.09Å
106A38.6Very low44.8Very low53 Ų5372.7 Ų72.744%0.43840%0.4SS..THydrogen-bonded Turntrans-66.4-26.8-17500000113.3D103 P110D103-A106 HydrophobicContact CB-CB 4.21Å; D103-A106 VanDerWaalsContact CG-CB 3.46Å; D103-A106 PolarHBondContact O-N 3.19Å; D103-A106 VanDerWaalsContact OD1-CB 3.32Å; D103-A106 WeakPolarHBondContact OD1-CB 3.47Å; A106-P110 WeakPolarHBondContact O-CD 3.31Å; A106-P110 WeakPolarHBondContact O-CG 3.47Å
107G50.1Low46.7Very low12 Ų1268.5 Ų68.512%0.12439%0.385CS..THydrogen-bonded Turntrans-82.7-23175.600000114.6S105 M111S105-G107 VanDerWaalsContact C-N 3.27Å; S105-G107 PolarHBondContact O-N 3.25Å; G107-M111 WeakPolarHBondContact O-CE 3.37Å; G107-M111 WeakPolarHBondContact O-CG 3.07Å
108V56.6Low48.7Very low12 Ų1262.1 Ų62.17%0.07335%0.351CS..Hα-helixtrans-83.5-43.2-171.3172.90000112.1E104 S105 M111 V112 L170 R175 L178E104-V108 WeakPolarHBondContact O-CG2 3.47Å; S105-V108 PolarHBondContact O-N 3.09Å; V108-M111 WeakPolarHBondContact O-CB 3.44Å; V108-M111 PolarHBondContact O-N 3.24Å; V108-M111 VanDerWaalsContact O-N 3.11Å; V108-V112 HydrophobicContact CG1-CG2 4.17Å; V108-V112 WeakPolarHBondContact O-CG2 3.45Å; V108-V112 PolarHBondContact O-N 3.02Å; V108-L170 HydrophobicContact CG1-CD1 3.48Å; V108-L170 VanDerWaalsContact CG1-CD1 3.48Å; V108-R175 HydrophobicContact CG2-CG 4.47Å; V108-L178 HydrophobicContact CG1-CD2 3.94Å
109L57.4Low50.7Low56 Ų5652.9 Ų52.929%0.29331%0.308SS..Hα-helixtrans-60-43.8179-175.771.1000112.9M111 V112 L113L109-M111 VanDerWaalsContact C-N 3.3Å; L109-M111 PolarHBondContact O-N 2.83Å; L109-V112 PolarHBondContact O-N 2.9Å; L109-L113 HydrophobicContact CD1-CD1 4.39Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 WeakPolarHBondContact O-CB 3.11Å; L109-L113 WeakPolarHBondContact O-CG 3.18Å; L109-L113 PolarHBondContact O-N 3.39Å
110P51.7Low52.8Low27 Ų2749.6 Ų49.618%0.17529%0.29CS..Hα-helixtrans-57.5-38.1171.5-2634.5000114L17 A106 Y114L17-P110 HydrophobicContact CD1-CG 4.36Å; L17-P110 HydrophobicContact CD2-CB 3.87Å; L17-P110 HydrophobicContact CD2-CG 4.05Å; A106-P110 WeakPolarHBondContact O-CD 3.31Å; A106-P110 WeakPolarHBondContact O-CG 3.47Å; P110-Y114 VanDerWaalsContact O-CB 3.26Å; P110-Y114 WeakPolarHBondContact O-CB 3.24Å; P110-Y114 PolarHBondContact O-N 3.2Å
111M59.1Low54.6Low1 Ų146.7 Ų46.71%0.00527%0.272CS..Hα-helixtrans-70.3-42.6177.9-69.6177.2-15600111.7P83 C85 G107 V108 L109 L113 Y114 F115 L178 P179P83-M111 HydrophobicContact CG-CG 4.37Å; C85-M111 HydrophobicContact CB-CE 3.88Å; C85-M111 WeakPolarHBondContact SG-CE 3.44Å; G107-M111 WeakPolarHBondContact O-CE 3.37Å; G107-M111 WeakPolarHBondContact O-CG 3.07Å; V108-M111 WeakPolarHBondContact O-CB 3.44Å; V108-M111 PolarHBondContact O-N 3.24Å; V108-M111 VanDerWaalsContact O-N 3.11Å; L109-M111 VanDerWaalsContact C-N 3.3Å; L109-M111 PolarHBondContact O-N 2.83Å; M111-L113 VanDerWaalsContact C-N 3.34Å; M111-Y114 PolarHBondContact O-N 3.29Å; M111-F115 WeakPolarHBondContact O-CB 3.48Å; M111-F115 PolarHBondContact O-N 2.75Å; M111-L178 HydrophobicContact CB-CD2 3.54Å; M111-L178 HydrophobicContact CB-CG 4.07Å; M111-L178 HydrophobicContact CG-CD2 4.49Å; M111-L178 HydrophobicContact SD-CB 4.38Å; M111-L178 HydrophobicContact SD-CD2 4.16Å; M111-L178 HydrophobicContact SD-CG 4.45Å; M111-P179 HydrophobicContact CE-CG 4.18Å; M111-P179 HydrophobicContact SD-CG 3.92Å
112V62.1Low56.4Low1 Ų142.6 Ų42.61%0.00624%0.237CC..Hα-helixtrans-62.3-44.1175.7175.40000110.3V108 L109 F115 Q116 Y157 V160 F161 L178V108-V112 HydrophobicContact CG1-CG2 4.17Å; V108-V112 WeakPolarHBondContact O-CG2 3.45Å; V108-V112 PolarHBondContact O-N 3.02Å; L109-V112 PolarHBondContact O-N 2.9Å; V112-F115 VanDerWaalsContact O-CB 3.31Å; V112-F115 WeakPolarHBondContact O-CB 3.39Å; V112-F115 PolarHBondContact O-N 2.92Å; V112-Q116 PolarHBondContact O-N 3.34Å; V112-Y157 HydrophobicContact CG1-CE2 3.86Å; V112-Y157 VanDerWaalsContact O-CE2 3.29Å; V112-Y157 WeakPolarHBondContact O-CE2 3.29Å; V112-V160 HydrophobicContact CG2-CG1 3.93Å; V112-F161 HydrophobicContact CG1-CD2 3.76Å; V112-L178 HydrophobicContact CG2-CD2 3.79Å
113L61.4Low58.5Low5 Ų536.3 Ų36.33%0.02621%0.214CC..Hα-helixtrans-64.3-44176.8-78.7165.5000112.9Y10 W14 L17 L109 M111 F115 Q116 V117Y10-L113 HydrophobicContact CE1-CD2 3.56Å; Y10-L113 HydrophobicContact CE2-CD2 4.16Å; Y10-L113 WeakPolarHBondContact OH-CD2 3.25Å; W14-L113 HydrophobicContact CE3-CB 4.31Å; W14-L113 HydrophobicContact CE3-CD1 4.08Å; W14-L113 HydrophobicContact CE3-CD2 3.71Å; W14-L113 HydrophobicContact CE3-CG 4.28Å; W14-L113 HydrophobicContact CZ3-CB 3.91Å; W14-L113 HydrophobicContact CZ3-CD1 4.42Å; W14-L113 HydrophobicContact CZ3-CD2 4.05Å; W14-L113 HydrophobicContact CZ3-CG 4.38Å; L17-L113 HydrophobicContact CD1-CD1 3.62Å; L109-L113 HydrophobicContact CD1-CD1 4.39Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 WeakPolarHBondContact O-CB 3.11Å; L109-L113 WeakPolarHBondContact O-CG 3.18Å; L109-L113 PolarHBondContact O-N 3.39Å; M111-L113 VanDerWaalsContact C-N 3.34Å; L113-F115 VanDerWaalsContact C-N 3.3Å; L113-F115 PolarHBondContact O-N 3.02Å; L113-Q116 WeakPolarHBondContact O-CB 3.13Å; L113-Q116 PolarHBondContact O-N 3.21Å; L113-V117 WeakPolarHBondContact O-CG2 3.31Å; L113-V117 PolarHBondContact O-N 3.02Å
114Y63.9Low60.3Low16 Ų1639.6 Ų39.66%0.06323%0.226CC..Hα-helixtrans-56.7-48.3172.6172.5-88.7000110.5L80 P82 P83 P110 M111 Q116 V117 E118 C182 L185L80-Y114 HydrophobicContact CB-CE2 4.2Å; L80-Y114 HydrophobicContact CD2-CD2 4.32Å; L80-Y114 HydrophobicContact CD2-CE2 4.06Å; L80-Y114 PolarHBondContact O-OH 3.32Å; P82-Y114 HydrophobicContact CB-CE1 4.38Å; P82-Y114 WeakPolarHBondContact CD-OH 3.47Å; P82-Y114 HydrophobicContact CG-CE1 4.27Å; P83-Y114 HydrophobicContact CG-CD2 4.39Å; P83-Y114 HydrophobicContact CG-CG 4.16Å; P110-Y114 VanDerWaalsContact O-CB 3.26Å; P110-Y114 WeakPolarHBondContact O-CB 3.24Å; P110-Y114 PolarHBondContact O-N 3.2Å; M111-Y114 PolarHBondContact O-N 3.29Å; Y114-Q116 VanDerWaalsContact C-N 3.3Å; Y114-Q116 PolarHBondContact O-N 3.17Å; Y114-V117 PolarHBondContact O-N 3.47Å; Y114-E118 HydrophobicContact CD1-CG 4.42Å; Y114-E118 HydrophobicContact CD2-CG 4.06Å; Y114-E118 HydrophobicContact CE1-CB 4.42Å; Y114-E118 HydrophobicContact CE1-CG 4Å; Y114-E118 HydrophobicContact CE2-CG 3.63Å; Y114-E118 HydrophobicContact CG-CG 4.43Å; Y114-E118 PolarHBondContact O-N 2.93Å; Y114-C182 HydrophobicContact CD1-CB 4.04Å; Y114-C182 HydrophobicContact CE1-CB 4.01Å; Y114-L185 HydrophobicContact CE1-CD2 4.3Å
115F64.3Low61.9Low2 Ų236.5 Ų36.51%0.00922%0.217CC..Hα-helixtrans-55.4-45.5177.6-127.5-72.3000112.4M111 V112 L113 V117 I119 L153 Y157 L181 C182 L185M111-F115 WeakPolarHBondContact O-CB 3.48Å; M111-F115 PolarHBondContact O-N 2.75Å; V112-F115 VanDerWaalsContact O-CB 3.31Å; V112-F115 WeakPolarHBondContact O-CB 3.39Å; V112-F115 PolarHBondContact O-N 2.92Å; L113-F115 VanDerWaalsContact C-N 3.3Å; L113-F115 PolarHBondContact O-N 3.02Å; F115-V117 PolarHBondContact O-N 3.21Å; F115-I119 HydrophobicContact CD1-CD1 3.45Å; F115-I119 VanDerWaalsContact CD1-CD1 3.45Å; F115-I119 HydrophobicContact CD1-CG1 3.79Å; F115-I119 HydrophobicContact CE1-CD1 3.63Å; F115-I119 HydrophobicContact CE1-CG1 4.02Å; F115-I119 WeakPolarHBondContact O-CB 3.34Å; F115-I119 VanDerWaalsContact O-CG1 3.31Å; F115-I119 WeakPolarHBondContact O-CG1 3.3Å; F115-I119 PolarHBondContact O-N 3.12Å; F115-L153 HydrophobicContact CE1-CB 4.2Å; F115-L153 HydrophobicContact CE1-CD2 4.35Å; F115-L153 HydrophobicContact CZ-CD2 4.03Å; F115-Y157 HydrophobicContact CB-CD2 3.52Å; F115-Y157 HydrophobicContact CB-CE2 3.89Å; F115-Y157 HydrophobicContact CB-CG 4.39Å; F115-Y157 AromaticContact CD1-CD2 3.96Å; F115-Y157 HydrophobicContact CD1-CD2 3.96Å; F115-Y157 HydrophobicContact CD1-CG 4.07Å; F115-Y157 AromaticContact CG-CD2 3.94Å; F115-Y157 HydrophobicContact CG-CD2 3.94Å; F115-L181 HydrophobicContact CE2-CB 3.31Å; F115-L181 WeakPolarHBondContact CE2-O 3.44Å; F115-L181 VanDerWaalsContact CZ-C 3.42Å; F115-L181 HydrophobicContact CZ-CB 3.45Å; F115-L181 VanDerWaalsContact CZ-CB 3.45Å; F115-L181 VanDerWaalsContact CZ-O 3.22Å; F115-L181 WeakPolarHBondContact CZ-O 3.02Å; F115-C182 HydrophobicContact CD2-CB 4.5Å; F115-C182 WeakPolarHBondContact CD2-SG 3.18Å; F115-C182 HydrophobicContact CE2-CB 4.31Å; F115-C182 VanDerWaalsContact CE2-N 3.3Å; F115-L185 HydrophobicContact CD1-CD2 3.84Å; F115-L185 HydrophobicContact CE1-CB 4.41Å; F115-L185 HydrophobicContact CE1-CD2 3.84Å; F115-L185 HydrophobicContact CG-CD2 4.24Å; F115-L185 HydrophobicContact CZ-CB 4.2Å; F115-L185 HydrophobicContact CZ-CD2 4.25Å
116Q68.4Low63.5Low73 Ų7333.9 Ų33.934%0.34120%0.196SC..Hα-helixtrans-58.9-47.2-179.7-168.2172.3-0.100112Y10 V112 L113 Y114 G120 Y157Y10-Q116 PolarHBondContact OH-OE1 2.97Å; V112-Q116 PolarHBondContact O-N 3.34Å; L113-Q116 WeakPolarHBondContact O-CB 3.13Å; L113-Q116 PolarHBondContact O-N 3.21Å; Y114-Q116 VanDerWaalsContact C-N 3.3Å; Y114-Q116 PolarHBondContact O-N 3.17Å; Q116-G120 PolarHBondContact O-N 2.72Å; Q116-G120 VanDerWaalsContact O-N 3.1Å; Q116-Y157 HydrophobicContact CB-CE1 4.3Å; Q116-Y157 HydrophobicContact CB-CE2 3.98Å; Q116-Y157 WeakPolarHBondContact CB-OH 3.36Å; Q116-Y157 HydrophobicContact CG-CE1 4.22Å; Q116-Y157 WeakPolarHBondContact CG-OH 3.44Å; Q116-Y157 PolarHBondContact OE1-OH 3.06Å
117V66.2Low65Low47 Ų4731.6 Ų31.629%0.28518%0.176SC..Hα-helixtrans-72.5-48.4-173.9175.20000110.9W14 L113 Y114 F115 G120 K121W14-V117 HydrophobicContact CH2-CG2 3.62Å; W14-V117 HydrophobicContact CZ2-CG2 3.95Å; W14-V117 HydrophobicContact CZ3-CG2 4.45Å; L113-V117 WeakPolarHBondContact O-CG2 3.31Å; L113-V117 PolarHBondContact O-N 3.02Å; Y114-V117 PolarHBondContact O-N 3.47Å; F115-V117 PolarHBondContact O-N 3.21Å; V117-G120 PolarHBondContact O-N 3.28Å; V117-G120 VanDerWaalsContact O-N 3.15Å; V117-K121 HydrophobicContact CG1-CD 4.43Å; V117-K121 PolarHBondContact O-N 3.2Å
118E67.1Low66.3Low4 Ų433.6 Ų33.62%0.01919%0.188CC..Hα-helixtrans-72.7-31.1-177.7-59.6-41.5114.100111.4L80 Y114 G120 K121 L122 L185L80-E118 HydrophobicContact CB-CG 4.36Å; L80-E118 WeakPolarHBondContact CB-OE2 2.95Å; L80-E118 WeakPolarHBondContact CD1-OE1 2.95Å; Y114-E118 HydrophobicContact CD1-CG 4.42Å; Y114-E118 HydrophobicContact CD2-CG 4.06Å; Y114-E118 HydrophobicContact CE1-CB 4.42Å; Y114-E118 HydrophobicContact CE1-CG 4Å; Y114-E118 HydrophobicContact CE2-CG 3.63Å; Y114-E118 HydrophobicContact CG-CG 4.43Å; Y114-E118 PolarHBondContact O-N 2.93Å; E118-G120 VanDerWaalsContact C-N 3.32Å; E118-G120 PolarHBondContact O-N 2.79Å; E118-K121 VanDerWaalsContact CD-NZ 3.27Å; E118-K121 PolarHBondContact O-N 3.24Å; E118-K121 IonicContact OE1-NZ 3.39Å; E118-K121 PolarHBondContact OE1-NZ 3.45Å; E118-K121 VanDerWaalsContact OE2-CD 3.3Å; E118-K121 WeakPolarHBondContact OE2-CD 3.42Å; E118-K121 IonicContact OE2-NZ 3.74Å; E118-K121 PolarHBondContact OE2-NZ 2.89Å; E118-L122 WeakPolarHBondContact O-CB 3.33Å; E118-L122 PolarHBondContact O-N 3.47Å; E118-L185 HydrophobicContact CB-CD2 3.57Å; E118-L185 HydrophobicContact CB-CG 4.06Å
119I68.3Low67.1Low11 Ų1137.8 Ų37.86%0.05622%0.218CC..Hα-helixtrans-61.3-43.8167.2-79.9-170.5000110.8F115 K121 L122 S123 Y150 L153 Y157 L185F115-I119 HydrophobicContact CD1-CD1 3.45Å; F115-I119 VanDerWaalsContact CD1-CD1 3.45Å; F115-I119 HydrophobicContact CD1-CG1 3.79Å; F115-I119 HydrophobicContact CE1-CD1 3.63Å; F115-I119 HydrophobicContact CE1-CG1 4.02Å; F115-I119 WeakPolarHBondContact O-CB 3.34Å; F115-I119 VanDerWaalsContact O-CG1 3.31Å; F115-I119 WeakPolarHBondContact O-CG1 3.3Å; F115-I119 PolarHBondContact O-N 3.12Å; I119-K121 VanDerWaalsContact C-N 3.34Å; I119-K121 PolarHBondContact O-N 3.42Å; I119-L122 PolarHBondContact O-N 3.28Å; I119-S123 WeakPolarHBondContact O-CB 3.18Å; I119-S123 PolarHBondContact O-N 2.94Å; I119-Y150 HydrophobicContact CG2-CE2 3.87Å; I119-L153 HydrophobicContact CD1-CB 4.36Å; I119-Y157 HydrophobicContact CD1-CD1 4.26Å; I119-Y157 HydrophobicContact CD1-CG 4.05Å; I119-L185 HydrophobicContact CG1-CD1 3.77Å; I119-L185 HydrophobicContact CG1-CD2 3.92Å
120G68.9Low67.8Low27 Ų2741.8 Ų41.828%0.27824%0.235SC..Hα-helixtrans-60-45.1178.400000111.8Q116 V117 E118 S123 Q124Q116-G120 PolarHBondContact O-N 2.72Å; Q116-G120 VanDerWaalsContact O-N 3.1Å; V117-G120 PolarHBondContact O-N 3.28Å; V117-G120 VanDerWaalsContact O-N 3.15Å; E118-G120 VanDerWaalsContact C-N 3.32Å; E118-G120 PolarHBondContact O-N 2.79Å; G120-S123 PolarHBondContact O-N 3.33Å; G120-S123 PolarHBondContact O-OG 3.46Å; G120-Q124 WeakPolarHBondContact O-CG 3.04Å; G120-Q124 PolarHBondContact O-N 2.99Å
121K68.8Low68.7Low85 Ų8545 Ų4537%0.3725%0.248SC..Hα-helixtrans-66.3-45.3176.5-72.4173179.4169.10112.7V117 E118 I119 S123 Q124 A125V117-K121 HydrophobicContact CG1-CD 4.43Å; V117-K121 PolarHBondContact O-N 3.2Å; E118-K121 VanDerWaalsContact CD-NZ 3.27Å; E118-K121 PolarHBondContact O-N 3.24Å; E118-K121 IonicContact OE1-NZ 3.39Å; E118-K121 PolarHBondContact OE1-NZ 3.45Å; E118-K121 VanDerWaalsContact OE2-CD 3.3Å; E118-K121 WeakPolarHBondContact OE2-CD 3.42Å; E118-K121 IonicContact OE2-NZ 3.74Å; E118-K121 PolarHBondContact OE2-NZ 2.89Å; I119-K121 VanDerWaalsContact C-N 3.34Å; I119-K121 PolarHBondContact O-N 3.42Å; K121-S123 PolarHBondContact O-N 3.15Å; K121-Q124 CarbonylContact O-C 3.6Å; K121-Q124 PolarHBondContact O-N 2.95Å; K121-Q124 VanDerWaalsContact O-N 3.09Å; K121-A125 WeakPolarHBondContact O-CB 3.33Å; K121-A125 PolarHBondContact O-N 3.22Å
122L66.4Low69.1Low1 Ų145.6 Ų45.61%0.00525%0.253CS..Hα-helixtrans-58.9-39.1176.9-175.364.6000110.6E118 I119 Q124 A125 I126 Y150 L185 T188 E189 L192E118-L122 WeakPolarHBondContact O-CB 3.33Å; E118-L122 PolarHBondContact O-N 3.47Å; I119-L122 PolarHBondContact O-N 3.28Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 3.2Å; L122-A125 PolarHBondContact O-N 3.18Å; L122-I126 HydrophobicContact CG-CD1 4.47Å; L122-I126 VanDerWaalsContact O-CG1 3.3Å; L122-I126 WeakPolarHBondContact O-CG1 3.03Å; L122-I126 PolarHBondContact O-N 3.19Å; L122-Y150 HydrophobicContact CB-CD2 4.38Å; L122-Y150 HydrophobicContact CD2-CD2 3.79Å; L122-Y150 HydrophobicContact CG-CD2 4Å; L122-L185 HydrophobicContact CD2-CD1 3.7Å; L122-T188 HydrophobicContact CD1-CG2 4.27Å; L122-T188 HydrophobicContact CD2-CG2 3.74Å; L122-E189 HydrophobicContact CB-CG 4.37Å; L122-E189 HydrophobicContact CD1-CG 3.99Å; L122-L192 HydrophobicContact CD1-CB 4.41Å; L122-L192 HydrophobicContact CD1-CD2 3.55Å
123S72.8Confident69.6Low51 Ų5148.9 Ų48.936%0.35728%0.28SS..Hα-helixtrans-61.2-38.6176.184.70000113I119 G120 K121 Y150I119-S123 WeakPolarHBondContact O-CB 3.18Å; I119-S123 PolarHBondContact O-N 2.94Å; G120-S123 PolarHBondContact O-N 3.33Å; G120-S123 PolarHBondContact O-OG 3.46Å; K121-S123 PolarHBondContact O-N 3.15Å; S123-Y150 WeakPolarHBondContact CB-OH 3.34Å
124Q76.3Confident69.9Low168 Ų16858.6 Ų58.679%0.78532%0.316SS*.Hα-helixtrans-77.3-27.2177-65.7174.22.400112.2G120 K121 L122G120-Q124 WeakPolarHBondContact O-CG 3.04Å; G120-Q124 PolarHBondContact O-N 2.99Å; K121-Q124 CarbonylContact O-C 3.6Å; K121-Q124 PolarHBondContact O-N 2.95Å; K121-Q124 VanDerWaalsContact O-N 3.09Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 3.2Å
125A71.6Confident70.1Confident30 Ų3058.6 Ų58.625%0.24832%0.317CS..Hα-helixtrans-82.4-21-179.400000112.8K121 L122 P127 L192 K196K121-A125 WeakPolarHBondContact O-CB 3.33Å; K121-A125 PolarHBondContact O-N 3.22Å; L122-A125 PolarHBondContact O-N 3.18Å; A125-P127 WeakPolarHBondContact O-CD 3.09Å; A125-L192 HydrophobicContact CB-CD2 3.59Å; A125-K196 WeakPolarHBondContact O-CE 3.33Å; A125-K196 PolarHBondContact O-NZ 2.86Å
126I73.8Confident70.5Confident30 Ų3063.2 Ų63.215%0.15434%0.342CS..SBendtrans-66.2124.2179.4-72.6162.8000110.2L122 K147 Y150 L192L122-I126 HydrophobicContact CG-CD1 4.47Å; L122-I126 VanDerWaalsContact O-CG1 3.3Å; L122-I126 WeakPolarHBondContact O-CG1 3.03Å; L122-I126 PolarHBondContact O-N 3.19Å; I126-K147 HydrophobicContact CG2-CD 4.24Å; I126-K147 HydrophobicContact CG2-CG 3.95Å; I126-Y150 HydrophobicContact CD1-CD1 4.1Å; I126-Y150 HydrophobicContact CD1-CD2 4.2Å; I126-Y150 HydrophobicContact CD1-CG 3.84Å; I126-L192 HydrophobicContact CG1-CD2 4.26Å
127P70Confident70.3Confident4 Ų467 Ų673%0.02636%0.361CS..PPolyproline II helixtrans-57.4143.9178.9-23.831.9000113.4A125 E131 L143 M199A125-P127 WeakPolarHBondContact O-CD 3.09Å; P127-E131 WeakPolarHBondContact CA-OE2 3.35Å; P127-E131 HydrophobicContact CB-CB 3.79Å; P127-E131 WeakPolarHBondContact CB-OE2 3.39Å; P127-L143 HydrophobicContact CB-CD2 4.48Å; P127-L143 HydrophobicContact CG-CD1 4.03Å; P127-L143 HydrophobicContact CG-CD2 4.47Å; P127-M199 HydrophobicContact CB-CE 4.44Å; P127-M199 HydrophobicContact CG-SD 4.46Å
128S76.6Confident70Confident55 Ų5571 Ų7139%0.38538%0.375SS..PPolyproline II helixtrans-62.7165.1175.478.60000111.2E130 E131 A132S128-E130 PolarHBondContact O-N 2.9Å; S128-E131 PolarHBondContact N-OE2 3.04Å; S128-E131 VanDerWaalsContact N-OE2 3.08Å; S128-E131 PolarHBondContact O-N 2.97Å; S128-E131 WeakPolarHBondContact OG-CG 3.41Å; S128-E131 PolarHBondContact OG-N 2.94Å; S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 2.86Å
129S73.5Confident69.6Low99 Ų9971.3 Ų71.369%0.69238%0.378SS*.Hα-helixtrans-59.8-33.8178.160.60000112.5A132 A133S129-A132 PolarHBondContact O-N 3.31Å; S129-A133 PolarHBondContact O-N 3.29Å
130E72.3Confident69.3Low141 Ų14174 Ų7466%0.65939%0.39SS*.Hα-helixtrans-70.9-38.6177.3-73.2-176.4160.900112.6S128S128-E130 PolarHBondContact O-N 2.9Å
131E70.8Confident69Low95 Ų9579.2 Ų79.244%0.44441%0.407SS..Hα-helixtrans-68-41.3173.7-70.8175.1161.500110.6P127 S128 A133 R134 M199P127-E131 WeakPolarHBondContact CA-OE2 3.35Å; P127-E131 HydrophobicContact CB-CB 3.79Å; P127-E131 WeakPolarHBondContact CB-OE2 3.39Å; S128-E131 PolarHBondContact N-OE2 3.04Å; S128-E131 VanDerWaalsContact N-OE2 3.08Å; S128-E131 PolarHBondContact O-N 2.97Å; S128-E131 WeakPolarHBondContact OG-CG 3.41Å; S128-E131 PolarHBondContact OG-N 2.94Å; E131-A133 VanDerWaalsContact C-N 3.3Å; E131-A133 PolarHBondContact O-N 3.11Å; E131-R134 PolarHBondContact O-N 3.4Å; E131-M199 HydrophobicContact CB-CE 4.21Å; E131-M199 WeakPolarHBondContact O-CE 3.36Å
132A68.4Low68.5Low13 Ų1377.4 Ų77.411%0.10740%0.4CS..Hα-helixtrans-64.6-33.2178.700000113S128 S129 R134 M135 Q140 L143S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 2.86Å; S129-A132 PolarHBondContact O-N 3.31Å; A132-R134 PolarHBondContact O-N 2.78Å; A132-M135 HydrophobicContact CB-CE 3.81Å; A132-M135 WeakPolarHBondContact O-CB 3.36Å; A132-M135 PolarHBondContact O-N 3.15Å; A132-M135 VanDerWaalsContact O-N 3.13Å; A132-Q140 WeakPolarHBondContact O-CG 3.15Å; A132-Q140 PolarHBondContact O-NE2 2.83Å; A132-L143 HydrophobicContact CB-CD2 3.76Å
133A71.6Confident68.4Low70 Ų7077.6 Ų77.658%0.57940%0.401SS*.Hα-helixtrans-63-22.817700000113.3S129 E131 M135S129-A133 PolarHBondContact O-N 3.29Å; E131-A133 VanDerWaalsContact C-N 3.3Å; E131-A133 PolarHBondContact O-N 3.11Å; A133-M135 VanDerWaalsContact C-N 3.3Å
134R69.1Low68Low208 Ų20880.2 Ų80.279%0.78541%0.408SS*.THydrogen-bonded Turntrans-83.4-5.5178.3-56.6-178.5-158.6-177.64.7113.6E131 A132E131-R134 PolarHBondContact O-N 3.4Å; A132-R134 PolarHBondContact O-N 2.78Å
135M67.8Low67.2Low17 Ų1774.8 Ų74.88%0.08439%0.388CS..SBendtrans-83.1154179.7-69.1-163-84.600112.7A132 A133 Q140 L143 V195 M199A132-M135 HydrophobicContact CB-CE 3.81Å; A132-M135 WeakPolarHBondContact O-CB 3.36Å; A132-M135 PolarHBondContact O-N 3.15Å; A132-M135 VanDerWaalsContact O-N 3.13Å; A133-M135 VanDerWaalsContact C-N 3.3Å; M135-Q140 HydrophobicContact CB-CG 3.79Å; M135-Q140 PolarHBondContact O-NE2 2.9Å; M135-L143 HydrophobicContact CE-CB 3.9Å; M135-L143 HydrophobicContact CE-CD1 4.22Å; M135-L143 HydrophobicContact CE-CD2 3.59Å; M135-L143 HydrophobicContact CE-CG 4.06Å; M135-V195 HydrophobicContact SD-CG1 4.07Å; M135-M199 HydrophobicContact CE-CE 3.91Å; M135-M199 HydrophobicContact CG-CE 3.2Å; M135-M199 HydrophobicContact CG-CG 3.93Å; M135-M199 HydrophobicContact CG-SD 4.29Å; M135-M199 HydrophobicContact SD-CE 3.56Å; M135-M199 VanDerWaalsContact SD-CE 3.56Å; M135-M199 HydrophobicContact SD-CG 4Å; M135-M199 HydrophobicContact SD-SD 4.18Å
136N71.3Confident66.7Low98 Ų9873.7 Ų73.752%0.52438%0.378SS..  trans-63153.516665.543.2000111K138 S139 Q140N136-K138 PolarHBondContact O-N 3.18Å; N136-K138 VanDerWaalsContact O-N 3.15Å; N136-K138 PolarHBondContact OD1-N 3.27Å; N136-S139 PolarHBondContact O-N 3.4Å; N136-S139 VanDerWaalsContact OD1-CB 3.24Å; N136-S139 WeakPolarHBondContact OD1-CB 3.35Å; N136-S139 PolarHBondContact OD1-N 3.43Å; N136-S139 PolarHBondContact OD1-OG 3.15Å; N136-Q140 PolarHBondContact O-N 2.73Å
137M64.9Low66.3Low152 Ų15275.6 Ų75.675%0.74939%0.385SS*.Hα-helixtrans-50.7-43.1-177.3-86.9-163.3-162.900112.8S139 Q140 E141M137-S139 VanDerWaalsContact C-N 3.34Å; M137-S139 PolarHBondContact O-N 3.1Å; M137-Q140 WeakPolarHBondContact O-CB 3.18Å; M137-Q140 PolarHBondContact O-N 2.79Å; M137-Q140 VanDerWaalsContact O-N 3.13Å; M137-E141 WeakPolarHBondContact O-CG 3.13Å; M137-E141 PolarHBondContact O-N 3.33Å
138K59.6Low66.1Low131 Ų13183.3 Ų83.357%0.5741%0.414SS*.Hα-helixtrans-61-42.5-179.1-170.5178.3179.7-178.10112.1N136 Q140 E141 E142N136-K138 PolarHBondContact O-N 3.18Å; N136-K138 VanDerWaalsContact O-N 3.15Å; N136-K138 PolarHBondContact OD1-N 3.27Å; K138-Q140 VanDerWaalsContact C-N 3.34Å; K138-E141 PolarHBondContact O-N 3.04Å; K138-E142 WeakPolarHBondContact O-CG 3.47Å; K138-E142 PolarHBondContact O-N 3.43Å
139S59.8Low65.2Low11 Ų1182.3 Ų82.38%0.07740%0.404CS..Hα-helixtrans-72.8-29.3177.5-53.50000111.7N136 M137 L143N136-S139 PolarHBondContact O-N 3.4Å; N136-S139 VanDerWaalsContact OD1-CB 3.24Å; N136-S139 WeakPolarHBondContact OD1-CB 3.35Å; N136-S139 PolarHBondContact OD1-N 3.43Å; N136-S139 PolarHBondContact OD1-OG 3.15Å; M137-S139 VanDerWaalsContact C-N 3.34Å; M137-S139 PolarHBondContact O-N 3.1Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 PolarHBondContact O-N 3.44Å
140Q61.2Low64.8Low68 Ų6879.9 Ų79.932%0.31838%0.38SS..Hα-helixtrans-67.1-41.9171.3-69.1-179.9-18.500112.2A132 M135 N136 M137 K138 L143 Q144A132-Q140 WeakPolarHBondContact O-CG 3.15Å; A132-Q140 PolarHBondContact O-NE2 2.83Å; M135-Q140 HydrophobicContact CB-CG 3.79Å; M135-Q140 PolarHBondContact O-NE2 2.9Å; N136-Q140 PolarHBondContact O-N 2.73Å; M137-Q140 WeakPolarHBondContact O-CB 3.18Å; M137-Q140 PolarHBondContact O-N 2.79Å; M137-Q140 VanDerWaalsContact O-N 3.13Å; K138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-L143 PolarHBondContact O-N 3.49Å; Q140-Q144 WeakPolarHBondContact O-CB 3.25Å; Q140-Q144 WeakPolarHBondContact O-CG 3.32Å; Q140-Q144 PolarHBondContact O-N 3.42Å
141E62.3Low64.6Low136 Ų13677.5 Ų77.564%0.63638%0.375SS*.Hα-helixtrans-63.5-43.2174.3-73178.616800111.7M137 K138 L143 Q144 S145M137-E141 WeakPolarHBondContact O-CG 3.13Å; M137-E141 PolarHBondContact O-N 3.33Å; K138-E141 PolarHBondContact O-N 3.04Å; E141-L143 VanDerWaalsContact C-N 3.35Å; E141-L143 PolarHBondContact O-N 2.94Å; E141-Q144 WeakPolarHBondContact O-CB 3.44Å; E141-Q144 PolarHBondContact O-N 3.01Å; E141-S145 PolarHBondContact O-N 3.05Å
142E57.6Low64.2Low48 Ų4874.9 Ų74.922%0.22437%0.37CS..Hα-helixtrans-63.2-41.2174.4-73.1-170.7-16400111.8K138 Q144 S145 I146 R191 V195K138-E142 WeakPolarHBondContact O-CG 3.47Å; K138-E142 PolarHBondContact O-N 3.43Å; E142-Q144 PolarHBondContact O-N 3.11Å; E142-S145 WeakPolarHBondContact O-CB 3.39Å; E142-S145 PolarHBondContact O-N 3.08Å; E142-I146 WeakPolarHBondContact O-CG1 3.38Å; E142-I146 PolarHBondContact O-N 3.17Å; E142-R191 IonicContact OE1-NH2 2.89Å; E142-R191 PolarHBondContact OE1-NH2 3.37Å; E142-R191 IonicContact OE2-CZ 3.3Å; E142-R191 VanDerWaalsContact OE2-CZ 3.32Å; E142-R191 IonicContact OE2-NE 3.62Å; E142-R191 PolarHBondContact OE2-NE 3.27Å; E142-R191 VanDerWaalsContact OE2-NE 3.12Å; E142-R191 IonicContact OE2-NH2 3.75Å; E142-R191 PolarHBondContact OE2-NH2 2.85Å; E142-V195 HydrophobicContact CB-CG2 4.36Å
143L64.3Low63.9Low4 Ų474.4 Ų74.42%0.02137%0.365CS..Hα-helixtrans-64.4-39.6175.4-16482000112.2P127 A132 M135 S139 Q140 E141 S145 I146 K147 L192 V195P127-L143 HydrophobicContact CB-CD2 4.48Å; P127-L143 HydrophobicContact CG-CD1 4.03Å; P127-L143 HydrophobicContact CG-CD2 4.47Å; A132-L143 HydrophobicContact CB-CD2 3.76Å; M135-L143 HydrophobicContact CE-CB 3.9Å; M135-L143 HydrophobicContact CE-CD1 4.22Å; M135-L143 HydrophobicContact CE-CD2 3.59Å; M135-L143 HydrophobicContact CE-CG 4.06Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 PolarHBondContact O-N 3.44Å; Q140-L143 PolarHBondContact O-N 3.49Å; E141-L143 VanDerWaalsContact C-N 3.35Å; E141-L143 PolarHBondContact O-N 2.94Å; L143-S145 VanDerWaalsContact C-N 3.3Å; L143-S145 PolarHBondContact O-N 3.01Å; L143-I146 PolarHBondContact O-N 3.27Å; L143-K147 WeakPolarHBondContact O-CB 3.45Å; L143-K147 WeakPolarHBondContact O-CG 3.14Å; L143-K147 PolarHBondContact O-N 2.81Å; L143-L192 HydrophobicContact CD1-CD1 3.84Å; L143-V195 HydrophobicContact CD1-CG1 4.4Å
144Q65Low63.8Low107 Ų10772.5 Ų72.550%0.535%0.348SS..Hα-helixtrans-58.7-42.9172.4-86.9-99.5-14.400111.3Q140 E141 E142 K147 R148Q140-Q144 WeakPolarHBondContact O-CB 3.25Å; Q140-Q144 WeakPolarHBondContact O-CG 3.32Å; Q140-Q144 PolarHBondContact O-N 3.42Å; E141-Q144 WeakPolarHBondContact O-CB 3.44Å; E141-Q144 PolarHBondContact O-N 3.01Å; E142-Q144 PolarHBondContact O-N 3.11Å; Q144-K147 PolarHBondContact O-N 3.06Å; Q144-R148 WeakPolarHBondContact O-CG 3.16Å; Q144-R148 PolarHBondContact O-N 2.8Å
145S59.2Low63.8Low53 Ų5365.8 Ų65.837%0.37133%0.333SS..Hα-helixtrans-62.5-46.5175.3-169.70000111.8E141 E142 L143 K147 R148 I149E141-S145 PolarHBondContact O-N 3.05Å; E142-S145 WeakPolarHBondContact O-CB 3.39Å; E142-S145 PolarHBondContact O-N 3.08Å; L143-S145 VanDerWaalsContact C-N 3.3Å; L143-S145 PolarHBondContact O-N 3.01Å; S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact O-N 3.19Å; S145-R148 PolarHBondContact O-N 3.25Å; S145-R148 VanDerWaalsContact O-N 3.16Å; S145-I149 WeakPolarHBondContact O-CG1 3.42Å; S145-I149 PolarHBondContact O-N 3.02Å
146I61.6Low63.7Low7 Ų769.1 Ų69.14%0.03635%0.347CS..Hα-helixtrans-58.6-44.5175.4-69.5167.6000111E142 L143 R148 I149 Y150 T188 R191 L192 V195E142-I146 WeakPolarHBondContact O-CG1 3.38Å; E142-I146 PolarHBondContact O-N 3.17Å; L143-I146 PolarHBondContact O-N 3.27Å; I146-R148 VanDerWaalsContact C-N 3.34Å; I146-R148 PolarHBondContact O-N 2.85Å; I146-I149 PolarHBondContact O-N 3.17Å; I146-Y150 WeakPolarHBondContact O-CB 3.41Å; I146-Y150 PolarHBondContact O-N 3.36Å; I146-T188 HydrophobicContact CG2-CG2 3.79Å; I146-R191 HydrophobicContact CD1-CG 4.16Å; I146-L192 HydrophobicContact CD1-CB 4.34Å; I146-L192 HydrophobicContact CD1-CD1 4.27Å; I146-L192 HydrophobicContact CG2-CD1 4.47Å; I146-V195 HydrophobicContact CD1-CG2 4.21Å
147K66.3Low63.4Low71 Ų7165.5 Ų65.531%0.30933%0.326SS..Hα-helixtrans-60.9-40.7176.8-78.3178.1176.8178.70112I126 L143 Q144 S145 Y150 T151I126-K147 HydrophobicContact CG2-CD 4.24Å; I126-K147 HydrophobicContact CG2-CG 3.95Å; L143-K147 WeakPolarHBondContact O-CB 3.45Å; L143-K147 WeakPolarHBondContact O-CG 3.14Å; L143-K147 PolarHBondContact O-N 2.81Å; Q144-K147 PolarHBondContact O-N 3.06Å; S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact O-N 3.19Å; K147-Y150 PolarHBondContact O-N 3.18Å; K147-T151 PolarHBondContact O-N 3.23Å; K147-T151 PolarHBondContact O-OG1 3.16Å
148R65.9Low63.6Low165 Ų16562.7 Ų62.762%0.62331%0.311SS*.Hα-helixtrans-65.3-45.5176.5-70.1175.1-160.2-176.75.8111.7Q144 S145 I146 Y150 T151 A152Q144-R148 WeakPolarHBondContact O-CG 3.16Å; Q144-R148 PolarHBondContact O-N 2.8Å; S145-R148 PolarHBondContact O-N 3.25Å; S145-R148 VanDerWaalsContact O-N 3.16Å; I146-R148 VanDerWaalsContact C-N 3.34Å; I146-R148 PolarHBondContact O-N 2.85Å; R148-Y150 VanDerWaalsContact C-N 3.34Å; R148-T151 PolarHBondContact O-N 3.25Å; R148-A152 WeakPolarHBondContact O-CB 3.19Å; R148-A152 PolarHBondContact O-N 3.18Å
149I56.2Low64Low34 Ų3459 Ų5917%0.17431%0.305CS..Hα-helixtrans-60.5-46.9176.7-67.5165.5000109.6S145 I146 T151 A152 L153 L184 T188S145-I149 WeakPolarHBondContact O-CG1 3.42Å; S145-I149 PolarHBondContact O-N 3.02Å; I146-I149 PolarHBondContact O-N 3.17Å; I149-T151 PolarHBondContact O-N 3.01Å; I149-A152 PolarHBondContact O-N 2.8Å; I149-L153 HydrophobicContact CG2-CD1 3.81Å; I149-L153 HydrophobicContact CG2-CG 4.1Å; I149-L153 WeakPolarHBondContact O-CB 3.28Å; I149-L153 VanDerWaalsContact O-CG 3.26Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 3.18Å; I149-L184 HydrophobicContact CG2-CD2 3.8Å; I149-T188 HydrophobicContact CG2-CG2 4.33Å
150Y65.9Low64.1Low49 Ų4959.1 Ų59.119%0.19231%0.305CS..Hα-helixtrans-55.3-49.4175.5169-96.7000112.3I119 L122 S123 I126 I146 K147 R148 A152 L153 S154I119-Y150 HydrophobicContact CG2-CE2 3.87Å; L122-Y150 HydrophobicContact CB-CD2 4.38Å; L122-Y150 HydrophobicContact CD2-CD2 3.79Å; L122-Y150 HydrophobicContact CG-CD2 4Å; S123-Y150 WeakPolarHBondContact CB-OH 3.34Å; I126-Y150 HydrophobicContact CD1-CD1 4.1Å; I126-Y150 HydrophobicContact CD1-CD2 4.2Å; I126-Y150 HydrophobicContact CD1-CG 3.84Å; I146-Y150 WeakPolarHBondContact O-CB 3.41Å; I146-Y150 PolarHBondContact O-N 3.36Å; K147-Y150 PolarHBondContact O-N 3.18Å; R148-Y150 VanDerWaalsContact C-N 3.34Å; Y150-A152 VanDerWaalsContact C-N 3.33Å; Y150-A152 PolarHBondContact O-N 3.36Å; Y150-L153 PolarHBondContact O-N 2.97Å; Y150-S154 VanDerWaalsContact O-CB 3.31Å; Y150-S154 WeakPolarHBondContact O-CB 3.06Å; Y150-S154 PolarHBondContact O-N 3.35Å
151T67.8Low64.2Low90 Ų9057.8 Ų57.855%0.55230%0.299SS*.Hα-helixtrans-61.8-41.2179.2-56.80000111.9K147 R148 I149 S155K147-T151 PolarHBondContact O-N 3.23Å; K147-T151 PolarHBondContact O-OG1 3.16Å; R148-T151 PolarHBondContact O-N 3.25Å; I149-T151 PolarHBondContact O-N 3.01Å; T151-S155 PolarHBondContact O-N 3.22Å; T151-S155 PolarHBondContact O-OG 2.86Å; T151-S155 VanDerWaalsContact O-OG 3.05Å
152A63.7Low64.4Low41 Ų4157.1 Ų57.134%0.33929%0.294SS..Hα-helixtrans-66.3-39.7176.100000112.6R148 I149 Y150 S155 K156R148-A152 WeakPolarHBondContact O-CB 3.19Å; R148-A152 PolarHBondContact O-N 3.18Å; I149-A152 PolarHBondContact O-N 2.8Å; Y150-A152 VanDerWaalsContact C-N 3.33Å; Y150-A152 PolarHBondContact O-N 3.36Å; A152-S155 PolarHBondContact O-OG 3.14Å; A152-K156 WeakPolarHBondContact O-CB 3.44Å; A152-K156 WeakPolarHBondContact O-CG 3.38Å; A152-K156 PolarHBondContact O-N 2.82Å
153L62.1Low64.6Low2 Ų257.8 Ų57.81%0.0130%0.298CS..Hα-helixtrans-68-43.1176.1-73.1-177.9000111.5F115 I119 I149 Y150 K156 Y157 L181 L184 L185F115-L153 HydrophobicContact CE1-CB 4.2Å; F115-L153 HydrophobicContact CE1-CD2 4.35Å; F115-L153 HydrophobicContact CZ-CD2 4.03Å; I119-L153 HydrophobicContact CD1-CB 4.36Å; I149-L153 HydrophobicContact CG2-CD1 3.81Å; I149-L153 HydrophobicContact CG2-CG 4.1Å; I149-L153 WeakPolarHBondContact O-CB 3.28Å; I149-L153 VanDerWaalsContact O-CG 3.26Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 3.18Å; Y150-L153 PolarHBondContact O-N 2.97Å; L153-K156 PolarHBondContact O-N 3.36Å; L153-Y157 VanDerWaalsContact O-CB 3.31Å; L153-Y157 WeakPolarHBondContact O-CB 3.42Å; L153-Y157 PolarHBondContact O-N 2.85Å; L153-L181 HydrophobicContact CD2-CB 4.45Å; L153-L181 HydrophobicContact CD2-CD2 3.54Å; L153-L184 HydrophobicContact CD1-CD2 4.27Å; L153-L184 HydrophobicContact CD2-CD2 3.96Å; L153-L184 HydrophobicContact CG-CD2 4.35Å; L153-L185 HydrophobicContact CD1-CB 4.12Å; L153-L185 HydrophobicContact CD1-CD1 3.88Å
154S67.8Low64.4Low30 Ų3059.8 Ų59.821%0.2131%0.312CS..Hα-helixtrans-63.9-48.3179.8-169.30000112.3Y150 K156 Y157 E158Y150-S154 VanDerWaalsContact O-CB 3.31Å; Y150-S154 WeakPolarHBondContact O-CB 3.06Å; Y150-S154 PolarHBondContact O-N 3.35Å; S154-K156 VanDerWaalsContact C-N 3.34Å; S154-K156 PolarHBondContact O-N 3.03Å; S154-Y157 PolarHBondContact O-N 3.26Å; S154-E158 WeakPolarHBondContact O-CB 3.2Å; S154-E158 PolarHBondContact O-N 3.24Å
155S70Confident63.9Low68 Ų6858.7 Ų58.748%0.47631%0.309SS..Hα-helixtrans-59.4-41.7175.257.70000113.1T151 A152 A159T151-S155 PolarHBondContact O-N 3.22Å; T151-S155 PolarHBondContact O-OG 2.86Å; T151-S155 VanDerWaalsContact O-OG 3.05Å; A152-S155 PolarHBondContact O-OG 3.14Å; S155-A159 PolarHBondContact O-N 3.15Å; S155-A159 VanDerWaalsContact O-N 3.15Å
156K65.1Low64.1Low86 Ų8659.3 Ų59.337%0.37432%0.317SS..Hα-helixtrans-68.6-41.8177.2-76.6-176.3179.4176.10112.2A152 L153 S154 A159 V160 L181A152-K156 WeakPolarHBondContact O-CB 3.44Å; A152-K156 WeakPolarHBondContact O-CG 3.38Å; A152-K156 PolarHBondContact O-N 2.82Å; L153-K156 PolarHBondContact O-N 3.36Å; S154-K156 VanDerWaalsContact C-N 3.34Å; S154-K156 PolarHBondContact O-N 3.03Å; K156-A159 PolarHBondContact O-N 3.47Å; K156-V160 WeakPolarHBondContact O-CG2 3.43Å; K156-V160 PolarHBondContact O-N 3.04Å; K156-V160 VanDerWaalsContact O-N 3.1Å; K156-L181 HydrophobicContact CD-CD2 4.17Å
157Y66.2Low63.4Low22 Ų2262.3 Ų62.39%0.08635%0.351CS..Hα-helixtrans-59.7-48173.9166.1-103.2000111.1V112 F115 Q116 I119 L153 S154 A159 V160 F161V112-Y157 HydrophobicContact CG1-CE2 3.86Å; V112-Y157 VanDerWaalsContact O-CE2 3.29Å; V112-Y157 WeakPolarHBondContact O-CE2 3.29Å; F115-Y157 HydrophobicContact CB-CD2 3.52Å; F115-Y157 HydrophobicContact CB-CE2 3.89Å; F115-Y157 HydrophobicContact CB-CG 4.39Å; F115-Y157 AromaticContact CD1-CD2 3.96Å; F115-Y157 HydrophobicContact CD1-CD2 3.96Å; F115-Y157 HydrophobicContact CD1-CG 4.07Å; F115-Y157 AromaticContact CG-CD2 3.94Å; F115-Y157 HydrophobicContact CG-CD2 3.94Å; Q116-Y157 HydrophobicContact CB-CE1 4.3Å; Q116-Y157 HydrophobicContact CB-CE2 3.98Å; Q116-Y157 WeakPolarHBondContact CB-OH 3.36Å; Q116-Y157 HydrophobicContact CG-CE1 4.22Å; Q116-Y157 WeakPolarHBondContact CG-OH 3.44Å; Q116-Y157 PolarHBondContact OE1-OH 3.06Å; I119-Y157 HydrophobicContact CD1-CD1 4.26Å; I119-Y157 HydrophobicContact CD1-CG 4.05Å; L153-Y157 VanDerWaalsContact O-CB 3.31Å; L153-Y157 WeakPolarHBondContact O-CB 3.42Å; L153-Y157 PolarHBondContact O-N 2.85Å; S154-Y157 PolarHBondContact O-N 3.26Å; Y157-A159 VanDerWaalsContact C-N 3.27Å; Y157-A159 PolarHBondContact O-N 3.44Å; Y157-V160 PolarHBondContact O-N 3.33Å; Y157-V160 VanDerWaalsContact O-N 3.15Å; Y157-F161 HydrophobicContact CE1-CB 4.25Å; Y157-F161 HydrophobicContact CE1-CG 4.42Å; Y157-F161 HydrophobicContact CE2-CB 4.14Å; Y157-F161 HydrophobicContact CE2-CD2 4.35Å; Y157-F161 HydrophobicContact CE2-CG 4.46Å; Y157-F161 AromaticContact CZ-CD2 3.96Å; Y157-F161 AromaticContact CZ-CG 3.9Å; Y157-F161 VanDerWaalsContact O-CB 3.29Å; Y157-F161 WeakPolarHBondContact O-CB 3.17Å; Y157-F161 PolarHBondContact O-N 3.02Å; Y157-F161 WeakPolarHBondContact OH-CD2 3.49Å; Y157-F161 WeakPolarHBondContact OH-CG 3.5Å
158E67.4Low62.9Low94 Ų9465.4 Ų65.444%0.43936%0.364SS..Hα-helixtrans-62.1-37-177.8-150.1-168153.900111.7S154 K162S154-E158 WeakPolarHBondContact O-CB 3.2Å; S154-E158 PolarHBondContact O-N 3.24Å; E158-K162 WeakPolarHBondContact O-CB 3.22Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.43Å; E158-K162 PolarHBondContact O-N 3.03Å; E158-K162 VanDerWaalsContact OE1-CE 3.3Å; E158-K162 WeakPolarHBondContact OE1-CE 3.41Å; E158-K162 IonicContact OE1-NZ 2.62Å; E158-K162 PolarHBondContact OE1-NZ 3.29Å
159A68.2Low62.3Low54 Ų5465.5 Ų65.545%0.44637%0.371SS..Hα-helixtrans-64.5-47.3173.900000112.3S155 K156 Y157 L163S155-A159 PolarHBondContact O-N 3.15Å; S155-A159 VanDerWaalsContact O-N 3.15Å; K156-A159 PolarHBondContact O-N 3.47Å; Y157-A159 VanDerWaalsContact C-N 3.27Å; Y157-A159 PolarHBondContact O-N 3.44Å; A159-L163 WeakPolarHBondContact O-CG 3.21Å; A159-L163 PolarHBondContact O-N 2.93Å; A159-L163 VanDerWaalsContact O-N 3.15Å
160V62.9Low62.4Low13 Ų1364.5 Ų64.58%0.07937%0.366CS..Hα-helixtrans-63.4-42.7176.9169.40000110.9V112 K156 Y157 L163 C164 L170 L178V112-V160 HydrophobicContact CG2-CG1 3.93Å; K156-V160 WeakPolarHBondContact O-CG2 3.43Å; K156-V160 PolarHBondContact O-N 3.04Å; K156-V160 VanDerWaalsContact O-N 3.1Å; Y157-V160 PolarHBondContact O-N 3.33Å; Y157-V160 VanDerWaalsContact O-N 3.15Å; V160-L163 WeakPolarHBondContact O-CB 3.28Å; V160-L163 PolarHBondContact O-N 3.46Å; V160-C164 PolarHBondContact O-N 2.67Å; V160-C164 PolarHBondContact O-SG 2.76Å; V160-C164 VanDerWaalsContact O-SG 3.4Å; V160-L170 HydrophobicContact CB-CD2 4.35Å; V160-L170 HydrophobicContact CG1-CD1 4.06Å; V160-L170 HydrophobicContact CG1-CD2 3.81Å; V160-L170 HydrophobicContact CG2-CD2 4.34Å; V160-L178 HydrophobicContact CG1-CD1 3.92Å; V160-L178 HydrophobicContact CG2-CD1 4.39Å
161F63.9Low62.3Low40 Ų4069.4 Ų69.418%0.17539%0.388CS..Hα-helixtrans-65.6-43.7-179.9-172.4-111.4000112.2Y10 V112 Y157 L163 C164 L165Y10-F161 HydrophobicContact CE2-CE2 4.2Å; Y10-F161 VanDerWaalsContact OH-CE2 3.32Å; Y10-F161 WeakPolarHBondContact OH-CE2 3.21Å; V112-F161 HydrophobicContact CG1-CD2 3.76Å; Y157-F161 HydrophobicContact CE1-CB 4.25Å; Y157-F161 HydrophobicContact CE1-CG 4.42Å; Y157-F161 HydrophobicContact CE2-CB 4.14Å; Y157-F161 HydrophobicContact CE2-CD2 4.35Å; Y157-F161 HydrophobicContact CE2-CG 4.46Å; Y157-F161 AromaticContact CZ-CD2 3.96Å; Y157-F161 AromaticContact CZ-CG 3.9Å; Y157-F161 VanDerWaalsContact O-CB 3.29Å; Y157-F161 WeakPolarHBondContact O-CB 3.17Å; Y157-F161 PolarHBondContact O-N 3.02Å; Y157-F161 WeakPolarHBondContact OH-CD2 3.49Å; Y157-F161 WeakPolarHBondContact OH-CG 3.5Å; F161-L163 VanDerWaalsContact C-N 3.3Å; F161-L163 PolarHBondContact O-N 3.3Å; F161-C164 PolarHBondContact O-N 2.82Å; F161-L165 HydrophobicContact CD1-CD1 3.74Å; F161-L165 HydrophobicContact CD1-CG 4.27Å; F161-L165 HydrophobicContact CE1-CD1 3.26Å; F161-L165 HydrophobicContact CE1-CG 3.92Å; F161-L165 HydrophobicContact CE2-CG 4.35Å; F161-L165 HydrophobicContact CZ-CD1 3.73Å; F161-L165 HydrophobicContact CZ-CD2 4.16Å; F161-L165 HydrophobicContact CZ-CG 3.95Å; F161-L165 PolarHBondContact O-N 3.12Å
162K65.4Low61.6Low122 Ų12272.5 Ų72.553%0.5340%0.395SS..Hα-helixtrans-59.9-39.6173.9-78.2173-176.1163.20112E158 A166E158-K162 WeakPolarHBondContact O-CB 3.22Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.43Å; E158-K162 PolarHBondContact O-N 3.03Å; E158-K162 VanDerWaalsContact OE1-CE 3.3Å; E158-K162 WeakPolarHBondContact OE1-CE 3.41Å; E158-K162 IonicContact OE1-NZ 2.62Å; E158-K162 PolarHBondContact OE1-NZ 3.29Å; K162-A166 VanDerWaalsContact O-CB 3.29Å; K162-A166 WeakPolarHBondContact O-CB 3.46Å; K162-A166 PolarHBondContact O-N 3.38Å
163L62.7Low61.2Low61 Ų6173.2 Ų73.232%0.31940%0.397SS..Hα-helixtrans-64.1-45.1175.5-72.3168.1000111.6A159 V160 F161 A166 G167 K168 L170A159-L163 WeakPolarHBondContact O-CG 3.21Å; A159-L163 PolarHBondContact O-N 2.93Å; A159-L163 VanDerWaalsContact O-N 3.15Å; V160-L163 WeakPolarHBondContact O-CB 3.28Å; V160-L163 PolarHBondContact O-N 3.46Å; F161-L163 VanDerWaalsContact C-N 3.3Å; F161-L163 PolarHBondContact O-N 3.3Å; L163-A166 PolarHBondContact O-N 2.89Å; L163-G167 PolarHBondContact O-N 3.05Å; L163-K168 HydrophobicContact CD2-CB 4.25Å; L163-K168 HydrophobicContact CD2-CD 4.09Å; L163-K168 PolarHBondContact O-N 3.33Å; L163-L170 HydrophobicContact CB-CD2 4.22Å; L163-L170 HydrophobicContact CD1-CD2 4.17Å
164C58.8Low61Low47 Ų4774.9 Ų74.932%0.31841%0.406SS..Hα-helixtrans-62.4-46.6176.4-71.30000112.5V160 F161 A166 G167V160-C164 PolarHBondContact O-N 2.67Å; V160-C164 PolarHBondContact O-SG 2.76Å; V160-C164 VanDerWaalsContact O-SG 3.4Å; F161-C164 PolarHBondContact O-N 2.82Å; C164-A166 VanDerWaalsContact C-N 3.28Å; C164-A166 PolarHBondContact O-N 2.86Å; C164-G167 PolarHBondContact O-N 3.46Å
165L54.2Low60.4Low84 Ų8475.8 Ų75.844%0.4440%0.404SS..Hα-helixtrans-63.6-33.2177.8-77.4-179.8000112.9L6 F161 G167L6-L165 HydrophobicContact CD2-CD2 3.66Å; F161-L165 HydrophobicContact CD1-CD1 3.74Å; F161-L165 HydrophobicContact CD1-CG 4.27Å; F161-L165 HydrophobicContact CE1-CD1 3.26Å; F161-L165 HydrophobicContact CE1-CG 3.92Å; F161-L165 HydrophobicContact CE2-CG 4.35Å; F161-L165 HydrophobicContact CZ-CD1 3.73Å; F161-L165 HydrophobicContact CZ-CD2 4.16Å; F161-L165 HydrophobicContact CZ-CG 3.95Å; F161-L165 PolarHBondContact O-N 3.12Å; L165-G167 PolarHBondContact O-N 3.19Å
166A63.4Low59.8Low65 Ų6578.5 Ų78.554%0.53741%0.409SS..THydrogen-bonded Turntrans-74.41.7175.100000113.5K162 L163 C164 K168K162-A166 VanDerWaalsContact O-CB 3.29Å; K162-A166 WeakPolarHBondContact O-CB 3.46Å; K162-A166 PolarHBondContact O-N 3.38Å; L163-A166 PolarHBondContact O-N 2.89Å; C164-A166 VanDerWaalsContact C-N 3.28Å; C164-A166 PolarHBondContact O-N 2.86Å; A166-K168 HydrophobicContact CB-CD 4.4Å; A166-K168 HydrophobicContact CB-CG 4.15Å; A166-K168 PolarHBondContact O-N 3.04Å
167G47.5Very low59.4Low71 Ų7181.3 Ų81.373%0.73242%0.418SS*.THydrogen-bonded Turntrans67.414.8-175.700000113.7L163 C164 L165L163-G167 PolarHBondContact O-N 3.05Å; C164-G167 PolarHBondContact O-N 3.46Å; L165-G167 PolarHBondContact O-N 3.19Å
168K55.1Low59Low136 Ų13680.5 Ų80.559%0.59142%0.415SS*.PPolyproline II helixtrans-84.2133.2-179.3-67.7-175.1177.7-179.20109.6L163 A166 L170L163-K168 HydrophobicContact CD2-CB 4.25Å; L163-K168 HydrophobicContact CD2-CD 4.09Å; L163-K168 PolarHBondContact O-N 3.33Å; A166-K168 HydrophobicContact CB-CD 4.4Å; A166-K168 HydrophobicContact CB-CG 4.15Å; A166-K168 PolarHBondContact O-N 3.04Å; K168-L170 PolarHBondContact O-N 3.4Å
169Q53.5Low58.5Low167 Ų16776.2 Ų76.278%0.7840%0.395SS*.PPolyproline II helixtrans-64132.3174.4-72.9-162.73.200110.8
170L58.5Low58Low12 Ų1274.6 Ų74.66%0.06338%0.382CS..PPolyproline II helixtrans-65.8135.9171-73.4164.4000110.3V108 V160 L163 K168 D174 R175V108-L170 HydrophobicContact CG1-CD1 3.48Å; V108-L170 VanDerWaalsContact CG1-CD1 3.48Å; V160-L170 HydrophobicContact CB-CD2 4.35Å; V160-L170 HydrophobicContact CG1-CD1 4.06Å; V160-L170 HydrophobicContact CG1-CD2 3.81Å; V160-L170 HydrophobicContact CG2-CD2 4.34Å; L163-L170 HydrophobicContact CB-CD2 4.22Å; L163-L170 HydrophobicContact CD1-CD2 4.17Å; K168-L170 PolarHBondContact O-N 3.4Å; L170-D174 HydrophobicContact CB-CB 4.28Å; L170-D174 HydrophobicContact CD2-CB 3.97Å; L170-R175 HydrophobicContact CB-CG 4.1Å; L170-R175 PolarHBondContact O-NE 2.66Å; L170-R175 PolarHBondContact O-NH2 3.26Å
171K63.5Low58Low152 Ų15274.8 Ų74.866%0.66138%0.382SS*.PPolyproline II helixtrans-66154.6175.9-63.5179.9179.2-179.90109.6S173 D174 R175K171-S173 PolarHBondContact O-N 3.4Å; K171-S173 VanDerWaalsContact O-N 3.12Å; K171-D174 PolarHBondContact N-OD2 2.83Å; K171-D174 WeakPolarHBondContact O-CB 3.31Å; K171-D174 PolarHBondContact O-N 3.39Å; K171-R175 PolarHBondContact O-N 3.47Å; K171-R175 VanDerWaalsContact O-N 3.1Å
172K54.1Low57.8Low156 Ų15672.9 Ų72.968%0.67837%0.374SS*.Hα-helixtrans-52.6-36.8178.2-162.5174.7-176.3177.70112.2D174 R175 H176K172-D174 VanDerWaalsContact C-N 3.34Å; K172-D174 PolarHBondContact O-N 3.46Å; K172-R175 PolarHBondContact O-N 3.1Å; K172-H176 PolarHBondContact O-CD2 3.08Å; K172-H176 PolarHBondContact O-N 3.38Å
173S55.8Low57.6Low55 Ų5567.1 Ų67.139%0.38535%0.349SS..Hα-helixtrans-60.8-38.7174.156.30000113.8K171 R177K171-S173 PolarHBondContact O-N 3.4Å; K171-S173 VanDerWaalsContact O-N 3.12Å; S173-R177 WeakPolarHBondContact O-CB 3.4Å; S173-R177 WeakPolarHBondContact O-CD 3.39Å; S173-R177 VanDerWaalsContact O-CG 3.24Å; S173-R177 WeakPolarHBondContact O-CG 3.31Å; S173-R177 PolarHBondContact O-N 3.29Å
174D57.2Low57.6Low37 Ų3765.8 Ų65.820%0.19834%0.342CS..Hα-helixtrans-75.4-39.2-178.4-54.6-33.6000109.8L170 K171 K172 H176 R177 L178L170-D174 HydrophobicContact CB-CB 4.28Å; L170-D174 HydrophobicContact CD2-CB 3.97Å; K171-D174 PolarHBondContact N-OD2 2.83Å; K171-D174 WeakPolarHBondContact O-CB 3.31Å; K171-D174 PolarHBondContact O-N 3.39Å; K172-D174 VanDerWaalsContact C-N 3.34Å; K172-D174 PolarHBondContact O-N 3.46Å; D174-H176 VanDerWaalsContact C-N 3.33Å; D174-H176 PolarHBondContact O-N 3.33Å; D174-R177 PolarHBondContact O-N 3.3Å; D174-L178 PolarHBondContact O-N 3.32Å
175R55.3Low57.9Low49 Ų4963.5 Ų63.519%0.18533%0.327CS..Hα-helixtrans-61.7-37.4174-63.5-175.9-162.4-166-1.1112.8E104 V108 L170 K171 K172 P179E104-R175 IonicContact OE2-CZ 3.93Å; E104-R175 IonicContact OE2-NH1 3.75Å; E104-R175 PolarHBondContact OE2-NH1 3.09Å; V108-R175 HydrophobicContact CG2-CG 4.47Å; L170-R175 HydrophobicContact CB-CG 4.1Å; L170-R175 PolarHBondContact O-NE 2.66Å; L170-R175 PolarHBondContact O-NH2 3.26Å; K171-R175 PolarHBondContact O-N 3.47Å; K171-R175 VanDerWaalsContact O-N 3.1Å; K172-R175 PolarHBondContact O-N 3.1Å; R175-P179 VanDerWaalsContact O-CD 3.25Å; R175-P179 WeakPolarHBondContact O-CD 3.48Å
176H56.1Low58.5Low125 Ų12559.5 Ų59.558%0.57931%0.306SS*.Hα-helixtrans-76.9-27177.2-70.9-35.3000113.8K172 D174K172-H176 PolarHBondContact O-CD2 3.08Å; K172-H176 PolarHBondContact O-N 3.38Å; D174-H176 VanDerWaalsContact C-N 3.33Å; D174-H176 PolarHBondContact O-N 3.33Å
177R58Low58.5Low146 Ų14656.6 Ų56.655%0.55128%0.281SS*.Hα-helixtrans-83.7-32.2-179.7-74.9172.9175.7-176.9-1.9113S173 D174 P179 A180 L181S173-R177 WeakPolarHBondContact O-CB 3.4Å; S173-R177 WeakPolarHBondContact O-CD 3.39Å; S173-R177 VanDerWaalsContact O-CG 3.24Å; S173-R177 WeakPolarHBondContact O-CG 3.31Å; S173-R177 PolarHBondContact O-N 3.29Å; D174-R177 PolarHBondContact O-N 3.3Å; R177-P179 VanDerWaalsContact C-CD 3.49Å; R177-P179 VanDerWaalsContact C-N 3.33Å; R177-A180 PolarHBondContact O-N 3.06Å; R177-L181 HydrophobicContact CB-CD1 4.31Å; R177-L181 VanDerWaalsContact O-CG 3.28Å; R177-L181 WeakPolarHBondContact O-CG 2.92Å; R177-L181 PolarHBondContact O-N 3.33Å
178L58.3Low59.3Low4 Ų453.6 Ų53.62%0.02125%0.249CC..Hα-helixtrans-53.7-41.3-176.1-15273.1000113.7V108 M111 V112 V160 D174 L181 C182V108-L178 HydrophobicContact CG1-CD2 3.94Å; M111-L178 HydrophobicContact CB-CD2 3.54Å; M111-L178 HydrophobicContact CB-CG 4.07Å; M111-L178 HydrophobicContact CG-CD2 4.49Å; M111-L178 HydrophobicContact SD-CB 4.38Å; M111-L178 HydrophobicContact SD-CD2 4.16Å; M111-L178 HydrophobicContact SD-CG 4.45Å; V112-L178 HydrophobicContact CG2-CD2 3.79Å; V160-L178 HydrophobicContact CG1-CD1 3.92Å; V160-L178 HydrophobicContact CG2-CD1 4.39Å; D174-L178 PolarHBondContact O-N 3.32Å; L178-L181 PolarHBondContact O-N 3.14Å; L178-C182 PolarHBondContact O-N 3.09Å; L178-C182 PolarHBondContact O-SG 3.28Å
179P55.7Low59.8Low4 Ų448.2 Ų48.23%0.02623%0.226CC..Hα-helixtrans-61.8-49.8175.8-26.636.3000113.7T86 R89 L90 M111 R175 R177 L181 C182 V183T86-P179 VanDerWaalsContact CG2-CA 3.48Å; T86-P179 HydrophobicContact CG2-CB 3.73Å; T86-P179 WeakPolarHBondContact CG2-O 2.96Å; R89-P179 HydrophobicContact CB-CG 4.41Å; L90-P179 HydrophobicContact CD1-CB 4.43Å; L90-P179 HydrophobicContact CG-CB 4.3Å; M111-P179 HydrophobicContact CE-CG 4.18Å; M111-P179 HydrophobicContact SD-CG 3.92Å; R175-P179 VanDerWaalsContact O-CD 3.25Å; R175-P179 WeakPolarHBondContact O-CD 3.48Å; R177-P179 VanDerWaalsContact C-CD 3.49Å; R177-P179 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 3.04Å; P179-C182 WeakPolarHBondContact O-CB 3.49Å; P179-C182 PolarHBondContact O-N 3.43Å; P179-V183 PolarHBondContact O-N 3.48Å; P179-V183 VanDerWaalsContact O-N 3.14Å
180A57.9Low60.2Low20 Ų2040.4 Ų40.417%0.16519%0.189CC..Hα-helixtrans-60.5-38.8179.100000111.4L90 R177 C182 V183 L184 P223L90-A180 HydrophobicContact CD2-CB 4.38Å; R177-A180 PolarHBondContact O-N 3.06Å; A180-C182 VanDerWaalsContact C-N 3.34Å; A180-C182 PolarHBondContact O-N 3.18Å; A180-V183 PolarHBondContact O-N 3.38Å; A180-L184 WeakPolarHBondContact O-CB 3.42Å; A180-L184 PolarHBondContact O-N 2.96Å; A180-P223 HydrophobicContact CB-CG 4.42Å
181L62.3Low60.4Low17 Ų1741.5 Ų41.59%0.08919%0.193CC..Hα-helixtrans-62.8-39.1175.3-68.8172000111.4F115 L153 K156 R177 L178 P179 L184 L185F115-L181 HydrophobicContact CE2-CB 3.31Å; F115-L181 WeakPolarHBondContact CE2-O 3.44Å; F115-L181 VanDerWaalsContact CZ-C 3.42Å; F115-L181 HydrophobicContact CZ-CB 3.45Å; F115-L181 VanDerWaalsContact CZ-CB 3.45Å; F115-L181 VanDerWaalsContact CZ-O 3.22Å; F115-L181 WeakPolarHBondContact CZ-O 3.02Å; L153-L181 HydrophobicContact CD2-CB 4.45Å; L153-L181 HydrophobicContact CD2-CD2 3.54Å; K156-L181 HydrophobicContact CD-CD2 4.17Å; R177-L181 HydrophobicContact CB-CD1 4.31Å; R177-L181 VanDerWaalsContact O-CG 3.28Å; R177-L181 WeakPolarHBondContact O-CG 2.92Å; R177-L181 PolarHBondContact O-N 3.33Å; L178-L181 PolarHBondContact O-N 3.14Å; P179-L181 PolarHBondContact O-N 3.04Å; L181-L184 PolarHBondContact O-N 2.94Å; L181-L185 WeakPolarHBondContact O-CB 3.25Å; L181-L185 PolarHBondContact O-N 3.35Å
182C60.5Low60.6Low0 Ų034.5 Ų34.50%016%0.162CC..Hα-helixtrans-67.8-39.8-179.3-65.90000111.1P82 T86 Y114 F115 L178 P179 A180 L185 F186P82-C182 HydrophobicContact CB-CB 4.15Å; T86-C182 HydrophobicContact CG2-CB 3.85Å; Y114-C182 HydrophobicContact CD1-CB 4.04Å; Y114-C182 HydrophobicContact CE1-CB 4.01Å; F115-C182 HydrophobicContact CD2-CB 4.5Å; F115-C182 WeakPolarHBondContact CD2-SG 3.18Å; F115-C182 HydrophobicContact CE2-CB 4.31Å; F115-C182 VanDerWaalsContact CE2-N 3.3Å; L178-C182 PolarHBondContact O-N 3.09Å; L178-C182 PolarHBondContact O-SG 3.28Å; P179-C182 WeakPolarHBondContact O-CB 3.49Å; P179-C182 PolarHBondContact O-N 3.43Å; A180-C182 VanDerWaalsContact C-N 3.34Å; A180-C182 PolarHBondContact O-N 3.18Å; C182-L185 PolarHBondContact O-N 2.99Å; C182-F186 PolarHBondContact O-N 2.85Å
183V61.6Low61.2Low1 Ų130.2 Ų30.21%0.00614%0.144CC..Hα-helixtrans-68.3-39.7175.5-175.50000111L70 P82 T86 Y87 L90 P179 A180 L185 F186 L187 L222L70-V183 HydrophobicContact CD2-CG1 4.37Å; P82-V183 HydrophobicContact CG-CG2 4.38Å; T86-V183 HydrophobicContact CG2-CG2 3.68Å; Y87-V183 HydrophobicContact CD1-CG2 4.33Å; Y87-V183 HydrophobicContact CE1-CG2 3.68Å; L90-V183 HydrophobicContact CD1-CB 4.38Å; L90-V183 HydrophobicContact CD1-CG2 3.46Å; L90-V183 VanDerWaalsContact CD1-CG2 3.46Å; P179-V183 PolarHBondContact O-N 3.48Å; P179-V183 VanDerWaalsContact O-N 3.14Å; A180-V183 PolarHBondContact O-N 3.38Å; V183-L185 VanDerWaalsContact C-N 3.29Å; V183-L185 PolarHBondContact O-N 3.04Å; V183-F186 WeakPolarHBondContact O-CB 3.47Å; V183-F186 PolarHBondContact O-N 2.81Å; V183-L187 HydrophobicContact CG1-CD1 3.82Å; V183-L187 HydrophobicContact CG1-CG 4.29Å; V183-L187 VanDerWaalsContact O-CG 3.23Å; V183-L187 WeakPolarHBondContact O-CG 3.35Å; V183-L187 PolarHBondContact O-N 3.02Å; V183-L222 HydrophobicContact CB-CD2 4.13Å; V183-L222 HydrophobicContact CG1-CD2 3.33Å
184L63.1Low61.5Low33 Ų3329.6 Ų29.617%0.17313%0.133CC..Hα-helixtrans-60.9-40.6175.3-149.396.4000111.8I149 L153 A180 L181 L187 T188 V226I149-L184 HydrophobicContact CG2-CD2 3.8Å; L153-L184 HydrophobicContact CD1-CD2 4.27Å; L153-L184 HydrophobicContact CD2-CD2 3.96Å; L153-L184 HydrophobicContact CG-CD2 4.35Å; A180-L184 WeakPolarHBondContact O-CB 3.42Å; A180-L184 PolarHBondContact O-N 2.96Å; L181-L184 PolarHBondContact O-N 2.94Å; L184-L187 PolarHBondContact O-N 3.49Å; L184-T188 WeakPolarHBondContact O-CB 3.44Å; L184-T188 PolarHBondContact O-N 3.01Å; L184-T188 PolarHBondContact O-OG1 3.38Å; L184-V226 HydrophobicContact CD1-CB 4.24Å; L184-V226 HydrophobicContact CD1-CG2 3.95Å; L184-V226 HydrophobicContact CD2-CB 4.09Å; L184-V226 HydrophobicContact CD2-CG1 3.53Å; L184-V226 HydrophobicContact CD2-CG2 4.23Å
185L65Low61.9Low0 Ų028 Ų280%013%0.125CC..Hα-helixtrans-62.7-48.3176.2-175.164.5000111.4Y114 F115 E118 I119 L122 L153 L181 C182 V183 L187 T188 E189Y114-L185 HydrophobicContact CE1-CD2 4.3Å; F115-L185 HydrophobicContact CD1-CD2 3.84Å; F115-L185 HydrophobicContact CE1-CB 4.41Å; F115-L185 HydrophobicContact CE1-CD2 3.84Å; F115-L185 HydrophobicContact CG-CD2 4.24Å; F115-L185 HydrophobicContact CZ-CB 4.2Å; F115-L185 HydrophobicContact CZ-CD2 4.25Å; E118-L185 HydrophobicContact CB-CD2 3.57Å; E118-L185 HydrophobicContact CB-CG 4.06Å; I119-L185 HydrophobicContact CG1-CD1 3.77Å; I119-L185 HydrophobicContact CG1-CD2 3.92Å; L122-L185 HydrophobicContact CD2-CD1 3.7Å; L153-L185 HydrophobicContact CD1-CB 4.12Å; L153-L185 HydrophobicContact CD1-CD1 3.88Å; L181-L185 WeakPolarHBondContact O-CB 3.25Å; L181-L185 PolarHBondContact O-N 3.35Å; C182-L185 PolarHBondContact O-N 2.99Å; V183-L185 VanDerWaalsContact C-N 3.29Å; V183-L185 PolarHBondContact O-N 3.04Å; L185-L187 VanDerWaalsContact C-N 3.3Å; L185-L187 PolarHBondContact O-N 3.01Å; L185-T188 WeakPolarHBondContact O-CB 3.43Å; L185-T188 PolarHBondContact O-N 3.36Å; L185-E189 PolarHBondContact O-N 3.12Å
186F65.2Low62.4Low0 Ų029.3 Ų29.30%013%0.132CC..Hα-helixtrans-53.4-47.2174.6169.9-105000112.1L70 M73 A74 A79 L80 P82 C182 V183 T188 E189 V190L70-F186 HydrophobicContact CB-CE1 4.23Å; L70-F186 HydrophobicContact CD2-CD1 3.61Å; L70-F186 HydrophobicContact CD2-CE1 3.38Å; L70-F186 HydrophobicContact CG-CE1 4.42Å; L70-F186 VanDerWaalsContact O-CZ 3.27Å; L70-F186 WeakPolarHBondContact O-CZ 3.35Å; M73-F186 HydrophobicContact CB-CE1 4.4Å; M73-F186 HydrophobicContact CB-CZ 4.11Å; M73-F186 HydrophobicContact CE-CE1 4.39Å; A74-F186 HydrophobicContact CB-CE2 3.74Å; A74-F186 HydrophobicContact CB-CZ 3.87Å; A79-F186 HydrophobicContact CB-CD2 3.89Å; A79-F186 HydrophobicContact CB-CE2 3.64Å; L80-F186 WeakPolarHBondContact O-CD2 3.35Å; P82-F186 HydrophobicContact CG-CB 3.64Å; P82-F186 HydrophobicContact CG-CG 4.11Å; C182-F186 PolarHBondContact O-N 2.85Å; V183-F186 WeakPolarHBondContact O-CB 3.47Å; V183-F186 PolarHBondContact O-N 2.81Å; F186-T188 VanDerWaalsContact C-N 3.32Å; F186-T188 PolarHBondContact O-N 3.26Å; F186-E189 WeakPolarHBondContact O-CB 3.18Å; F186-E189 PolarHBondContact O-N 3.14Å; F186-V190 HydrophobicContact CD1-CG2 4.41Å; F186-V190 HydrophobicContact CE1-CG2 3.9Å; F186-V190 HydrophobicContact CE2-CG2 4.06Å; F186-V190 HydrophobicContact CZ-CG2 3.73Å; F186-V190 WeakPolarHBondContact O-CG2 3.24Å; F186-V190 PolarHBondContact O-N 3.26Å
187L63.3Low62.7Low3 Ų330.6 Ų30.62%0.01613%0.132CC..Hα-helixtrans-74.3-27.6-177.3-62.6168000113.2L70 M73 V183 L184 L185 E189 V190 R191 W215 M218 L222L70-L187 HydrophobicContact CD2-CD2 3.89Å; M73-L187 HydrophobicContact CE-CD2 4.03Å; M73-L187 HydrophobicContact SD-CD2 4.49Å; V183-L187 HydrophobicContact CG1-CD1 3.82Å; V183-L187 HydrophobicContact CG1-CG 4.29Å; V183-L187 VanDerWaalsContact O-CG 3.23Å; V183-L187 WeakPolarHBondContact O-CG 3.35Å; V183-L187 PolarHBondContact O-N 3.02Å; L184-L187 PolarHBondContact O-N 3.49Å; L185-L187 VanDerWaalsContact C-N 3.3Å; L185-L187 PolarHBondContact O-N 3.01Å; L187-E189 VanDerWaalsContact C-N 3.31Å; L187-V190 PolarHBondContact O-N 2.95Å; L187-R191 WeakPolarHBondContact O-CB 3.39Å; L187-R191 PolarHBondContact O-N 3.41Å; L187-W215 HydrophobicContact CB-CH2 3.4Å; L187-W215 HydrophobicContact CB-CZ2 4.34Å; L187-W215 HydrophobicContact CB-CZ3 3.74Å; L187-W215 HydrophobicContact CD1-CH2 3.88Å; L187-W215 HydrophobicContact CD1-CZ3 3.85Å; L187-W215 HydrophobicContact CD2-CH2 4.31Å; L187-W215 HydrophobicContact CD2-CZ3 3.74Å; L187-W215 HydrophobicContact CG-CH2 4.05Å; L187-W215 HydrophobicContact CG-CZ3 3.97Å; L187-M218 HydrophobicContact CD1-CE 4.24Å; L187-M218 HydrophobicContact CD2-CE 3.55Å; L187-L222 HydrophobicContact CD1-CD1 3.01Å; L187-L222 HydrophobicContact CD1-CD2 4.22Å; L187-L222 HydrophobicContact CD1-CG 4.17Å
188T65.1Low62.7Low9 Ų925.5 Ų25.56%0.05512%0.117CC..Hα-helixtrans-64.7-39.6171.2-55.40000110.4L122 I146 I149 L184 L185 F186 R191 L192L122-T188 HydrophobicContact CD1-CG2 4.27Å; L122-T188 HydrophobicContact CD2-CG2 3.74Å; I146-T188 HydrophobicContact CG2-CG2 3.79Å; I149-T188 HydrophobicContact CG2-CG2 4.33Å; L184-T188 WeakPolarHBondContact O-CB 3.44Å; L184-T188 PolarHBondContact O-N 3.01Å; L184-T188 PolarHBondContact O-OG1 3.38Å; L185-T188 WeakPolarHBondContact O-CB 3.43Å; L185-T188 PolarHBondContact O-N 3.36Å; F186-T188 VanDerWaalsContact C-N 3.32Å; F186-T188 PolarHBondContact O-N 3.26Å; T188-R191 PolarHBondContact O-N 3.3Å; T188-L192 WeakPolarHBondContact O-CB 3.08Å; T188-L192 PolarHBondContact O-N 3.38Å
189E65.6Low62.7Low23 Ų2328.3 Ų28.311%0.10713%0.131CC..Hα-helixtrans-64.9-45.9172.6-70.4-170.2158.400112.3A79 L122 L185 F186 L187 R191 L192 F193A79-E189 HydrophobicContact CB-CB 4.05Å; L122-E189 HydrophobicContact CB-CG 4.37Å; L122-E189 HydrophobicContact CD1-CG 3.99Å; L185-E189 PolarHBondContact O-N 3.12Å; F186-E189 WeakPolarHBondContact O-CB 3.18Å; F186-E189 PolarHBondContact O-N 3.14Å; L187-E189 VanDerWaalsContact C-N 3.31Å; E189-R191 VanDerWaalsContact C-N 3.29Å; E189-R191 PolarHBondContact O-N 3.28Å; E189-L192 PolarHBondContact O-N 2.94Å; E189-F193 PolarHBondContact O-N 3.5Å
190V62.3Low62.6Low3 Ų335.1 Ų35.12%0.01817%0.167CC..Hα-helixtrans-56.9-44.5174.9170.90000110.6M73 T77 A79 F186 L187 F193 Y194M73-V190 HydrophobicContact CB-CG1 4.26Å; M73-V190 HydrophobicContact CB-CG2 4.08Å; M73-V190 HydrophobicContact CG-CG1 4.36Å; M73-V190 HydrophobicContact SD-CG1 4Å; T77-V190 HydrophobicContact CG2-CB 4.27Å; T77-V190 HydrophobicContact CG2-CG1 3.91Å; T77-V190 HydrophobicContact CG2-CG2 4.21Å; A79-V190 HydrophobicContact CB-CG2 4.01Å; F186-V190 HydrophobicContact CD1-CG2 4.41Å; F186-V190 HydrophobicContact CE1-CG2 3.9Å; F186-V190 HydrophobicContact CE2-CG2 4.06Å; F186-V190 HydrophobicContact CZ-CG2 3.73Å; F186-V190 WeakPolarHBondContact O-CG2 3.24Å; F186-V190 PolarHBondContact O-N 3.26Å; L187-V190 PolarHBondContact O-N 2.95Å; V190-F193 WeakPolarHBondContact O-CB 3.37Å; V190-F193 PolarHBondContact O-N 2.92Å; V190-Y194 HydrophobicContact CG1-CD2 4.1Å; V190-Y194 HydrophobicContact CG1-CE2 3.7Å; V190-Y194 WeakPolarHBondContact O-CD2 3.43Å; V190-Y194 PolarHBondContact O-N 3.11Å
191R63.1Low62Low35 Ų3536.4 Ų36.413%0.13218%0.175CC..Hα-helixtrans-67.4-41.4179.2-170.558.4177-170.54.4111.9E142 I146 L187 T188 E189 F193 Y194 V195E142-R191 IonicContact OE1-NH2 2.89Å; E142-R191 PolarHBondContact OE1-NH2 3.37Å; E142-R191 IonicContact OE2-CZ 3.3Å; E142-R191 VanDerWaalsContact OE2-CZ 3.32Å; E142-R191 IonicContact OE2-NE 3.62Å; E142-R191 PolarHBondContact OE2-NE 3.27Å; E142-R191 VanDerWaalsContact OE2-NE 3.12Å; E142-R191 IonicContact OE2-NH2 3.75Å; E142-R191 PolarHBondContact OE2-NH2 2.85Å; I146-R191 HydrophobicContact CD1-CG 4.16Å; L187-R191 WeakPolarHBondContact O-CB 3.39Å; L187-R191 PolarHBondContact O-N 3.41Å; T188-R191 PolarHBondContact O-N 3.3Å; E189-R191 VanDerWaalsContact C-N 3.29Å; E189-R191 PolarHBondContact O-N 3.28Å; R191-F193 VanDerWaalsContact C-N 3.27Å; R191-F193 PolarHBondContact O-N 2.87Å; R191-Y194 PolarHBondContact O-N 3.32Å; R191-V195 WeakPolarHBondContact O-CG2 3.32Å; R191-V195 PolarHBondContact O-N 2.84Å
192L66.6Low60.9Low5 Ų541 Ų413%0.02621%0.208CC..Hα-helixtrans-61-37.9175.7-17664.5000111.8L122 A125 I126 L143 I146 T188 E189 Y194 V195 K196L122-L192 HydrophobicContact CD1-CB 4.41Å; L122-L192 HydrophobicContact CD1-CD2 3.55Å; A125-L192 HydrophobicContact CB-CD2 3.59Å; I126-L192 HydrophobicContact CG1-CD2 4.26Å; L143-L192 HydrophobicContact CD1-CD1 3.84Å; I146-L192 HydrophobicContact CD1-CB 4.34Å; I146-L192 HydrophobicContact CD1-CD1 4.27Å; I146-L192 HydrophobicContact CG2-CD1 4.47Å; T188-L192 WeakPolarHBondContact O-CB 3.08Å; T188-L192 PolarHBondContact O-N 3.38Å; E189-L192 PolarHBondContact O-N 2.94Å; L192-Y194 PolarHBondContact O-N 3.34Å; L192-V195 PolarHBondContact O-N 3.45Å; L192-K196 PolarHBondContact O-N 3.31Å
193F67.8Low59.7Low66 Ų6649.2 Ų49.229%0.28925%0.247SC..Hα-helixtrans-57.5-48.3173.9173.1-90.3000111.7E76 T77 E189 V190 R191 V195 K196 R197E76-F193 WeakPolarHBondContact O-CZ 3.49Å; T77-F193 HydrophobicContact CG2-CB 4.01Å; T77-F193 HydrophobicContact CG2-CD1 3.46Å; T77-F193 VanDerWaalsContact CG2-CD1 3.46Å; T77-F193 HydrophobicContact CG2-CE1 4.01Å; T77-F193 HydrophobicContact CG2-CG 3.77Å; E189-F193 PolarHBondContact O-N 3.5Å; V190-F193 WeakPolarHBondContact O-CB 3.37Å; V190-F193 PolarHBondContact O-N 2.92Å; R191-F193 VanDerWaalsContact C-N 3.27Å; R191-F193 PolarHBondContact O-N 2.87Å; F193-V195 PolarHBondContact O-N 3.41Å; F193-K196 PolarHBondContact O-N 3.25Å; F193-R197 WeakPolarHBondContact O-CB 3.07Å; F193-R197 PolarHBondContact O-N 3.46Å
194Y62.1Low58.3Low41 Ų4157.2 Ų57.216%0.16128%0.284CS..Hα-helixtrans-67.7-36.1178.8-70.3-68.4000112.7E76 T77 V190 R191 L192 K196 R197 T198E76-Y194 PolarHBondContact OE2-OH 3.36Å; T77-Y194 HydrophobicContact CG2-CE2 4.15Å; V190-Y194 HydrophobicContact CG1-CD2 4.1Å; V190-Y194 HydrophobicContact CG1-CE2 3.7Å; V190-Y194 WeakPolarHBondContact O-CD2 3.43Å; V190-Y194 PolarHBondContact O-N 3.11Å; R191-Y194 PolarHBondContact O-N 3.32Å; L192-Y194 PolarHBondContact O-N 3.34Å; Y194-K196 VanDerWaalsContact C-N 3.3Å; Y194-K196 PolarHBondContact O-N 3.48Å; Y194-R197 PolarHBondContact O-N 2.93Å; Y194-T198 PolarHBondContact O-N 3.09Å; Y194-T198 VanDerWaalsContact O-N 3.08Å; Y194-T198 PolarHBondContact O-OG1 2.84Å
195V64.2Low56.7Low4 Ų461.2 Ų61.22%0.02432%0.315CS..Hα-helixtrans-67.5-28.1173.7174.10000112.4M135 E142 L143 I146 R191 L192 F193 T198M135-V195 HydrophobicContact SD-CG1 4.07Å; E142-V195 HydrophobicContact CB-CG2 4.36Å; L143-V195 HydrophobicContact CD1-CG1 4.4Å; I146-V195 HydrophobicContact CD1-CG2 4.21Å; R191-V195 WeakPolarHBondContact O-CG2 3.32Å; R191-V195 PolarHBondContact O-N 2.84Å; L192-V195 PolarHBondContact O-N 3.45Å; F193-V195 PolarHBondContact O-N 3.41Å; V195-T198 VanDerWaalsContact C-OG1 3.26Å; V195-T198 WeakPolarHBondContact CA-OG1 3.06Å; V195-T198 PolarHBondContact O-OG1 3.28Å
196K65.6Low54.9Low76 Ų7667 Ų6733%0.3336%0.356SS..Hα-helixtrans-77.8-35.4170.4-78-172.7172.3-170.60112.3A125 L192 F193 Y194 T198 M199 N200A125-K196 WeakPolarHBondContact O-CE 3.33Å; A125-K196 PolarHBondContact O-NZ 2.86Å; L192-K196 PolarHBondContact O-N 3.31Å; F193-K196 PolarHBondContact O-N 3.25Å; Y194-K196 VanDerWaalsContact C-N 3.3Å; Y194-K196 PolarHBondContact O-N 3.48Å; K196-T198 VanDerWaalsContact C-N 3.28Å; K196-T198 PolarHBondContact O-N 3.44Å; K196-M199 VanDerWaalsContact O-CB 3.29Å; K196-M199 WeakPolarHBondContact O-CB 3.29Å; K196-M199 PolarHBondContact O-N 3.38Å; K196-N200 PolarHBondContact O-N 2.94Å
197R63.9Low53.3Low152 Ų15271.8 Ų71.857%0.57439%0.389SS*.Hα-helixtrans-63.7-36.1178.5-167.8173.1174.1148.4-1.8111.5F193 Y194 M199 N200 S201F193-R197 WeakPolarHBondContact O-CB 3.07Å; F193-R197 PolarHBondContact O-N 3.46Å; Y194-R197 PolarHBondContact O-N 2.93Å; R197-M199 VanDerWaalsContact C-N 3.29Å; R197-M199 PolarHBondContact O-N 2.84Å; R197-N200 PolarHBondContact O-N 2.86Å; R197-S201 PolarHBondContact O-N 3.21Å; R197-S201 PolarHBondContact O-OG 3.05Å
198T57Low51.7Low39 Ų3976.5 Ų76.524%0.23941%0.407CS..Hα-helixtrans-60.8-33.517046.80000112.9Y194 V195 K196 N200 S201 Y208Y194-T198 PolarHBondContact O-N 3.09Å; Y194-T198 VanDerWaalsContact O-N 3.08Å; Y194-T198 PolarHBondContact O-OG1 2.84Å; V195-T198 VanDerWaalsContact C-OG1 3.26Å; V195-T198 WeakPolarHBondContact CA-OG1 3.06Å; V195-T198 PolarHBondContact O-OG1 3.28Å; K196-T198 VanDerWaalsContact C-N 3.28Å; K196-T198 PolarHBondContact O-N 3.44Å; T198-N200 VanDerWaalsContact C-N 3.34Å; T198-S201 PolarHBondContact O-OG 3.23Å; T198-Y208 VanDerWaalsContact CA-OH 3.25Å; T198-Y208 WeakPolarHBondContact CA-OH 3.15Å; T198-Y208 HydrophobicContact CG2-CD1 4.49Å; T198-Y208 HydrophobicContact CG2-CE1 3.31Å; T198-Y208 WeakPolarHBondContact CG2-OH 3.33Å
199M58Low50.2Low63 Ų6382.5 Ų82.531%0.3144%0.439SS..Hα-helixtrans-65.8-35.5176.7-65.6-178.1123.900112.8P127 E131 M135 K196 R197P127-M199 HydrophobicContact CB-CE 4.44Å; P127-M199 HydrophobicContact CG-SD 4.46Å; E131-M199 HydrophobicContact CB-CE 4.21Å; E131-M199 WeakPolarHBondContact O-CE 3.36Å; M135-M199 HydrophobicContact CE-CE 3.91Å; M135-M199 HydrophobicContact CG-CE 3.2Å; M135-M199 HydrophobicContact CG-CG 3.93Å; M135-M199 HydrophobicContact CG-SD 4.29Å; M135-M199 HydrophobicContact SD-CE 3.56Å; M135-M199 VanDerWaalsContact SD-CE 3.56Å; M135-M199 HydrophobicContact SD-CG 4Å; M135-M199 HydrophobicContact SD-SD 4.18Å; K196-M199 VanDerWaalsContact O-CB 3.29Å; K196-M199 WeakPolarHBondContact O-CB 3.29Å; K196-M199 PolarHBondContact O-N 3.38Å; R197-M199 VanDerWaalsContact C-N 3.29Å; R197-M199 PolarHBondContact O-N 2.84Å
200N54.5Low48.6Very low147 Ų14789.1 Ų89.179%0.78647%0.469SS*.Hα-helixtrans-86.6-13.2-175.9-69.6-13.6000113.2K196 R197 T198K196-N200 PolarHBondContact O-N 2.94Å; R197-N200 PolarHBondContact O-N 2.86Å; T198-N200 VanDerWaalsContact C-N 3.34Å
201S46Very low47.3Very low47 Ų4790.6 Ų90.633%0.32948%0.48SS..  trans-105.877.3-179.965.20000110.7R197 T198 E203 Y208R197-S201 PolarHBondContact O-N 3.21Å; R197-S201 PolarHBondContact O-OG 3.05Å; T198-S201 PolarHBondContact O-OG 3.23Å; S201-E203 PolarHBondContact O-N 3.46Å; S201-Y208 PolarHBondContact OG-OH 3.02Å
202S38.4Very low46Very low114 Ų11491.7 Ų91.780%0.79749%0.488SS*.SBendtrans-78-1.6171.953.50000113.9
203E34.7Very low44.5Very low173 Ų17393.1 Ų93.181%0.80850%0.498SS*.SBendtrans-134.15.8-167.2-75.1-167.816000118.4S201S201-E203 PolarHBondContact O-N 3.46Å
204Q32.6Very low43Very low168 Ų16892.5 Ų92.579%0.78550%0.497SS*.  trans-132.392.3177.5-71.4-172.9-9.900113.5
205S28.8Very low41.8Very low117 Ų11793.3 Ų93.382%0.81850%0.5SS*.  trans-72.1110.6161.143.20000109.8
206S27.9Very low40.6Very low123 Ų12395.9 Ų95.986%0.8651%0.512SS*.SBendtrans171.9-9.1142.844.70000117.1
207S30.9Very low39.1Very low99 Ų9994.7 Ų94.769%0.69251%0.511SS*.  trans-111.315.1-175.668.20000116.7D209S207-D209 VanDerWaalsContact C-N 3.31Å; S207-D209 PolarHBondContact O-N 2.84Å
208Y29.8Very low37.8Very low103 Ų10387.5 Ų87.540%0.40448%0.484SS..THydrogen-bonded Turntrans-73.1-7.1-171.3-99-82.6000116.8T198 S201T198-Y208 VanDerWaalsContact CA-OH 3.25Å; T198-Y208 WeakPolarHBondContact CA-OH 3.15Å; T198-Y208 HydrophobicContact CG2-CD1 4.49Å; T198-Y208 HydrophobicContact CG2-CE1 3.31Å; T198-Y208 WeakPolarHBondContact CG2-OH 3.33Å; S201-Y208 PolarHBondContact OG-OH 3.02Å
209D35Very low36.6Very low134 Ų13487.2 Ų87.272%0.71748%0.483SS*.Hα-helixtrans-82.5-24.2-172.5-106.5-16.3000114.6S207 S213S207-D209 VanDerWaalsContact C-N 3.31Å; S207-D209 PolarHBondContact O-N 2.84Å; D209-S213 WeakPolarHBondContact O-CB 3.49Å; D209-S213 PolarHBondContact O-N 2.75Å; D209-S213 PolarHBondContact O-OG 3.44Å; D209-S213 VanDerWaalsContact O-OG 3.05Å
210E30.7Very low35.4Very low162 Ų16285.2 Ų85.276%0.75747%0.474SS*.Hα-helixtrans-77.9-32.1-177.2-70.5-175164.700112.8S213 M214E210-S213 WeakPolarHBondContact CA-OG 2.97Å; E210-S213 PolarHBondContact O-OG 2.76Å; E210-M214 PolarHBondContact O-N 3.33Å
211S35.2Very low34.3Very low34 Ų3482.2 Ų82.224%0.23846%0.458CS..Hα-helixtrans-76.1-32.1-179.967.40000112.9W215S211-W215 WeakPolarHBondContact O-CB 3.46Å; S211-W215 PolarHBondContact O-N 2.74Å
212L36.6Very low33.6Very low59 Ų5980.8 Ų80.831%0.30945%0.447SS..Hα-helixtrans-68.3-40.7174.8-159.383.5000111.1W215 Q216L212-W215 PolarHBondContact O-N 3.36Å; L212-Q216 WeakPolarHBondContact O-CB 3.25Å; L212-Q216 WeakPolarHBondContact O-CG 3.13Å; L212-Q216 PolarHBondContact O-N 3.31Å
213S35.1Very low33.4Very low34 Ų3478.7 Ų78.724%0.23843%0.43CS..Hα-helixtrans-73.2-30.6-177.362.10000112.9D209 E210 V217 R344D209-S213 WeakPolarHBondContact O-CB 3.49Å; D209-S213 PolarHBondContact O-N 2.75Å; D209-S213 PolarHBondContact O-OG 3.44Å; D209-S213 VanDerWaalsContact O-OG 3.05Å; E210-S213 WeakPolarHBondContact CA-OG 2.97Å; E210-S213 PolarHBondContact O-OG 2.76Å; S213-V217 VanDerWaalsContact O-CG2 3.23Å; S213-V217 WeakPolarHBondContact O-CG2 3.43Å; S213-V217 PolarHBondContact O-N 3.19Å; S213-R344 PolarHBondContact O-NH2 2.78Å
214M35.6Very low33.3Very low54 Ų5471.9 Ų71.927%0.26640%0.404SS..Hα-helixtrans-73.3-36171.9-148.4173.579.500111.8M73 E210 V217 M218M73-M214 HydrophobicContact CG-CE 3.7Å; M73-M214 HydrophobicContact SD-CE 4.03Å; E210-M214 PolarHBondContact O-N 3.33Å; M214-V217 PolarHBondContact O-N 2.84Å; M214-M218 WeakPolarHBondContact O-CB 3.46Å; M214-M218 WeakPolarHBondContact O-CG 3.2Å; M214-M218 PolarHBondContact O-N 3.49Å
215W37.7Very low33.4Very low57 Ų5768.2 Ų68.222%0.21639%0.394CS..Hα-helixtrans-69.6-37.5175.2-166.6-138.3000112.7L187 S211 L212 V217 M218 C219L187-W215 HydrophobicContact CB-CH2 3.4Å; L187-W215 HydrophobicContact CB-CZ2 4.34Å; L187-W215 HydrophobicContact CB-CZ3 3.74Å; L187-W215 HydrophobicContact CD1-CH2 3.88Å; L187-W215 HydrophobicContact CD1-CZ3 3.85Å; L187-W215 HydrophobicContact CD2-CH2 4.31Å; L187-W215 HydrophobicContact CD2-CZ3 3.74Å; L187-W215 HydrophobicContact CG-CH2 4.05Å; L187-W215 HydrophobicContact CG-CZ3 3.97Å; S211-W215 WeakPolarHBondContact O-CB 3.46Å; S211-W215 PolarHBondContact O-N 2.74Å; L212-W215 PolarHBondContact O-N 3.36Å; W215-V217 VanDerWaalsContact C-N 3.34Å; W215-V217 PolarHBondContact O-N 3.38Å; W215-M218 HydrophobicContact CE3-CB 3.74Å; W215-M218 HydrophobicContact CZ3-CB 3.87Å; W215-M218 PolarHBondContact O-N 2.92Å; W215-C219 WeakPolarHBondContact O-CB 3.44Å; W215-C219 PolarHBondContact O-N 3.5Å; W215-C219 PolarHBondContact O-SG 2.93Å; W215-C219 VanDerWaalsContact O-SG 3.36Å
216Q38.5Very low33.6Very low58 Ų5864.7 Ų64.727%0.27137%0.368SS..Hα-helixtrans-63.5-36171.3-77.1174.8-26.300113L212 T220 V348L212-Q216 WeakPolarHBondContact O-CB 3.25Å; L212-Q216 WeakPolarHBondContact O-CG 3.13Å; L212-Q216 PolarHBondContact O-N 3.31Å; Q216-T220 WeakPolarHBondContact O-CG2 3.28Å; Q216-T220 PolarHBondContact O-N 3.04Å; Q216-T220 PolarHBondContact O-OG1 3.38Å; Q216-V348 HydrophobicContact CB-CG1 4.21Å; Q216-V348 HydrophobicContact CB-CG2 3.97Å; Q216-V348 HydrophobicContact CG-CG1 3.88Å
217V35Very low34Very low51 Ų5163 Ų6331%0.30935%0.348SS..Hα-helixtrans-71.7-30.7174.7170.10000112.1S213 M214 W215 T220 L221S213-V217 VanDerWaalsContact O-CG2 3.23Å; S213-V217 WeakPolarHBondContact O-CG2 3.43Å; S213-V217 PolarHBondContact O-N 3.19Å; M214-V217 PolarHBondContact O-N 2.84Å; W215-V217 VanDerWaalsContact C-N 3.34Å; W215-V217 PolarHBondContact O-N 3.38Å; V217-T220 WeakPolarHBondContact CA-OG1 3.18Å; V217-T220 PolarHBondContact O-OG1 2.97Å; V217-L221 WeakPolarHBondContact O-CD1 3.45Å; V217-L221 WeakPolarHBondContact O-CG 3.32Å
218M34.9Very low34.6Very low1 Ų163.2 Ų63.21%0.00534%0.342CS..Hα-helixtrans-83.1-39-179.8-82.3-71.5-52.600113L66 I69 L70 M73 L187 M214 W215 T220 L221 L222L66-M218 HydrophobicContact CD1-CE 3.72Å; L66-M218 HydrophobicContact CD1-SD 3.43Å; L66-M218 WeakPolarHBondContact CD1-SD 3.32Å; I69-M218 HydrophobicContact CB-SD 4.24Å; I69-M218 HydrophobicContact CG2-CG 4.11Å; I69-M218 HydrophobicContact CG2-SD 3.58Å; I69-M218 VanDerWaalsContact CG2-SD 3.58Å; L70-M218 HydrophobicContact CD2-CE 3.49Å; L70-M218 VanDerWaalsContact CD2-CE 3.49Å; L70-M218 HydrophobicContact CG-CE 4.04Å; M73-M218 HydrophobicContact CE-CE 3.3Å; M73-M218 HydrophobicContact CE-CG 3.89Å; M73-M218 HydrophobicContact CE-SD 3.62Å; M73-M218 HydrophobicContact SD-CG 4.31Å; L187-M218 HydrophobicContact CD1-CE 4.24Å; L187-M218 HydrophobicContact CD2-CE 3.55Å; M214-M218 WeakPolarHBondContact O-CB 3.46Å; M214-M218 WeakPolarHBondContact O-CG 3.2Å; M214-M218 PolarHBondContact O-N 3.49Å; W215-M218 HydrophobicContact CE3-CB 3.74Å; W215-M218 HydrophobicContact CZ3-CB 3.87Å; W215-M218 PolarHBondContact O-N 2.92Å; M218-T220 PolarHBondContact O-N 3.29Å; M218-L221 PolarHBondContact O-N 2.96Å; M218-L221 VanDerWaalsContact O-N 3.09Å; M218-L222 WeakPolarHBondContact O-CD1 3.27Å
219C33.2Very low35.5Very low34 Ų3461.7 Ų61.723%0.2334%0.343CS..Hα-helixtrans-56.4-42.5168.9-75.70000109.8W215 L221 L222 W351W215-C219 WeakPolarHBondContact O-CB 3.44Å; W215-C219 PolarHBondContact O-N 3.5Å; W215-C219 PolarHBondContact O-SG 2.93Å; W215-C219 VanDerWaalsContact O-SG 3.36Å; C219-L221 PolarHBondContact O-N 2.79Å; C219-L221 VanDerWaalsContact O-N 3.08Å; C219-L222 PolarHBondContact O-N 2.85Å; C219-W351 WeakPolarHBondContact O-CZ2 3.11Å; C219-W351 PolarHBondContact O-NE1 2.8Å
220T33.4Very low36.2Very low21 Ų2161.5 Ų61.513%0.12934%0.338CS..THydrogen-bonded Turntrans-63.9-10.4177.439.30000115Q216 V217 M218 V348 W351 V357Q216-T220 WeakPolarHBondContact O-CG2 3.28Å; Q216-T220 PolarHBondContact O-N 3.04Å; Q216-T220 PolarHBondContact O-OG1 3.38Å; V217-T220 WeakPolarHBondContact CA-OG1 3.18Å; V217-T220 PolarHBondContact O-OG1 2.97Å; M218-T220 PolarHBondContact O-N 3.29Å; T220-V348 HydrophobicContact CG2-CG2 4.04Å; T220-W351 HydrophobicContact CG2-CB 3.99Å; T220-W351 HydrophobicContact CG2-CG 3.98Å; T220-V357 HydrophobicContact CG2-CG2 3.76Å; T220-V357 WeakPolarHBondContact O-CB 3.29Å; T220-V357 VanDerWaalsContact O-CG1 3.25Å; T220-V357 WeakPolarHBondContact O-CG1 3.14Å; T220-V357 WeakPolarHBondContact O-CG2 3.27Å
221L31.1Very low37.3Very low84 Ų8458.5 Ų58.544%0.4432%0.324SS..THydrogen-bonded Turntrans-103.9-0.8-176.8-70.4169.4000115.3L66 V217 M218 C219L66-L221 HydrophobicContact CD1-CB 4.18Å; L66-L221 HydrophobicContact CD1-CD1 3.86Å; L66-L221 HydrophobicContact CD2-CB 4.34Å; V217-L221 WeakPolarHBondContact O-CD1 3.45Å; V217-L221 WeakPolarHBondContact O-CG 3.32Å; M218-L221 PolarHBondContact O-N 2.96Å; M218-L221 VanDerWaalsContact O-N 3.09Å; C219-L221 PolarHBondContact O-N 2.79Å; C219-L221 VanDerWaalsContact O-N 3.08Å
222L31.4Very low38.2Very low17 Ų1758.9 Ų58.99%0.08932%0.322CS..SBendtrans-118128.2-170.4-66.6154.6000110.6V183 L187 M218 C219 W351V183-L222 HydrophobicContact CB-CD2 4.13Å; V183-L222 HydrophobicContact CG1-CD2 3.33Å; L187-L222 HydrophobicContact CD1-CD1 3.01Å; L187-L222 HydrophobicContact CD1-CD2 4.22Å; L187-L222 HydrophobicContact CD1-CG 4.17Å; M218-L222 WeakPolarHBondContact O-CD1 3.27Å; C219-L222 PolarHBondContact O-N 2.85Å; L222-W351 WeakPolarHBondContact O-CH2 3.37Å; L222-W351 WeakPolarHBondContact O-CZ2 3.34Å
223P33.5Very low39.2Very low69 Ų6956.2 Ų56.245%0.44831%0.308SS..  trans-46.9145.3-175.519.6-31.8000113.4L90 A180 P225L90-P223 HydrophobicContact CD2-CG 4.06Å; A180-P223 HydrophobicContact CB-CG 4.42Å; P223-P225 WeakPolarHBondContact O-CD 3.45Å
224A32.2Very low40.6Very low31 Ų3155.6 Ų55.626%0.25630%0.304SS..SBendtrans-78.512-166.500000118.6V226 W351A224-V226 PolarHBondContact O-N 3.04Å; A224-V226 VanDerWaalsContact O-N 3.13Å; A224-W351 HydrophobicContact CB-CH2 3.61Å; A224-W351 HydrophobicContact CB-CZ2 4.06Å; A224-W351 HydrophobicContact CB-CZ3 4.06Å
225P34.7Very low41.9Very low91 Ų9159.2 Ų59.259%0.59132%0.315SS*.THydrogen-bonded Turntrans-92.332.2-162.939.5-35.1000114.8P223P223-P225 WeakPolarHBondContact O-CD 3.45Å
226V34.2Very low43.1Very low42 Ų4256.6 Ų56.626%0.25531%0.305SS..THydrogen-bonded Turntrans-122.4-2.7-172-156.20000117L184 A224L184-V226 HydrophobicContact CD1-CB 4.24Å; L184-V226 HydrophobicContact CD1-CG2 3.95Å; L184-V226 HydrophobicContact CD2-CB 4.09Å; L184-V226 HydrophobicContact CD2-CG1 3.53Å; L184-V226 HydrophobicContact CD2-CG2 4.23Å; A224-V226 PolarHBondContact O-N 3.04Å; A224-V226 VanDerWaalsContact O-N 3.13Å
227L34.4Very low44.5Very low87 Ų8753.8 Ų53.846%0.45529%0.292SS..SBendtrans-114.2154.1178.9-66.4170.9000112.2V229 Q232L227-V229 PolarHBondContact O-N 3.34Å; L227-Q232 VanDerWaalsContact CB-OE1 3.26Å
228N45.3Very low46.5Very low104 Ų10458.8 Ų58.856%0.55631%0.305SS*.  trans-58.896.3-170.1-167.36.5000110.6E230 E231 Q232N228-E230 PolarHBondContact O-N 2.91Å; N228-E231 PolarHBondContact O-N 3.3Å; N228-Q232 PolarHBondContact O-N 3.08Å
229V47.8Very low48.2Very low72 Ų7259.8 Ų59.844%0.43631%0.309SS..Hα-helixtrans-53.4-30.4-173.8179.40000110.7L227 T233L227-V229 PolarHBondContact O-N 3.34Å; V229-T233 VanDerWaalsContact O-CB 3.26Å; V229-T233 WeakPolarHBondContact O-CB 3.32Å; V229-T233 PolarHBondContact O-N 3.28Å; V229-T233 VanDerWaalsContact O-N 3.13Å; V229-T233 PolarHBondContact O-OG1 3.43Å
230E50.1Low49.8Very low129 Ų12958.1 Ų58.160%0.60330%0.298SS*.Hα-helixtrans-69.3-41.7-174.3-72.2-179.3170.400114N228 F287N228-E230 PolarHBondContact O-N 2.91Å; E230-F287 VanDerWaalsContact CA-CZ 3.5Å; E230-F287 HydrophobicContact CB-CZ 4.12Å; E230-F287 HydrophobicContact CG-CZ 4.35Å; E230-F287 VanDerWaalsContact O-CE1 3.31Å; E230-F287 WeakPolarHBondContact O-CE1 3.47Å; E230-F287 WeakPolarHBondContact O-CZ 3.07Å
231E52.8Low52Low99 Ų9958.9 Ų58.946%0.46330%0.301SS..Hα-helixtrans-83-32.3-178.6-163.4-177.3166.100111.8N228 R235N228-E231 PolarHBondContact O-N 3.3Å; E231-R235 WeakPolarHBondContact O-CG 3.37Å; E231-R235 IonicContact OE1-CZ 3.48Å; E231-R235 IonicContact OE1-NE 3.74Å; E231-R235 IonicContact OE1-NH2 3.64Å; E231-R235 PolarHBondContact OE1-NH2 3.49Å
232Q53.9Low54.2Low42 Ų4257.8 Ų57.820%0.19630%0.3CS..Hα-helixtrans-78.2-34.3-174.9-69.3-166.8-27.300113L227 N228 S234 R235 L236 E352L227-Q232 VanDerWaalsContact CB-OE1 3.26Å; N228-Q232 PolarHBondContact O-N 3.08Å; Q232-S234 PolarHBondContact O-N 3.11Å; Q232-R235 PolarHBondContact O-N 3.14Å; Q232-R235 VanDerWaalsContact O-N 3.17Å; Q232-L236 PolarHBondContact O-N 3.23Å; Q232-E352 VanDerWaalsContact CD-O 3.31Å; Q232-E352 PolarHBondContact NE2-O 3.25Å
233T58.7Low56.1Low4 Ų457.8 Ų57.83%0.02530%0.3CS..Hα-helixtrans-63.6-45179.3-58.90000111.8V229 R235 L236 I237 F287 L300V229-T233 VanDerWaalsContact O-CB 3.26Å; V229-T233 WeakPolarHBondContact O-CB 3.32Å; V229-T233 PolarHBondContact O-N 3.28Å; V229-T233 VanDerWaalsContact O-N 3.13Å; V229-T233 PolarHBondContact O-OG1 3.43Å; T233-R235 VanDerWaalsContact C-N 3.26Å; T233-R235 PolarHBondContact O-N 3.35Å; T233-L236 WeakPolarHBondContact O-CB 3.33Å; T233-L236 PolarHBondContact O-N 3.3Å; T233-I237 HydrophobicContact CG2-CD1 4Å; T233-I237 WeakPolarHBondContact O-CG1 3.36Å; T233-I237 PolarHBondContact O-N 3.44Å; T233-F287 HydrophobicContact CG2-CD2 3.35Å; T233-F287 HydrophobicContact CG2-CE2 3.78Å; T233-F287 HydrophobicContact CG2-CG 3.96Å; T233-L300 HydrophobicContact CG2-CD2 3.5Å; T233-L300 VanDerWaalsContact CG2-CD2 3.5Å
234S64.7Low58Low21 Ų2154.5 Ų54.515%0.14728%0.279CS..Hα-helixtrans-66.1-26.8175.9-116.80000113.3Q232 R238 Q284Q232-S234 PolarHBondContact O-N 3.11Å; S234-R238 PolarHBondContact O-N 3.17Å; S234-R238 PolarHBondContact O-NE 3.5Å; S234-R238 VanDerWaalsContact O-NE 3.13Å; S234-Q284 PolarHBondContact OG-NE2 2.88Å
235R62.7Low60.3Low130 Ų13058.5 Ų58.549%0.49129%0.292SS..Hα-helixtrans-76.5-40.6172.4-70.9178.7-176.2-155.82.9111E231 Q232 T233 R238 F239 M353E231-R235 WeakPolarHBondContact O-CG 3.37Å; E231-R235 IonicContact OE1-CZ 3.48Å; E231-R235 IonicContact OE1-NE 3.74Å; E231-R235 IonicContact OE1-NH2 3.64Å; E231-R235 PolarHBondContact OE1-NH2 3.49Å; Q232-R235 PolarHBondContact O-N 3.14Å; Q232-R235 VanDerWaalsContact O-N 3.17Å; T233-R235 VanDerWaalsContact C-N 3.26Å; T233-R235 PolarHBondContact O-N 3.35Å; R235-R238 PolarHBondContact O-N 2.93Å; R235-F239 WeakPolarHBondContact O-CB 3.35Å; R235-F239 PolarHBondContact O-N 2.82Å; R235-M353 HydrophobicContact CB-CG 4.42Å; R235-M353 HydrophobicContact CB-SD 3.67Å
236L62.1Low62.3Low1 Ų157.6 Ų57.61%0.00528%0.277CS..Hα-helixtrans-59.8-49176.2-177.554.4000110.8Q232 T233 R238 F239 L240 L300 A304 C350 M353 A355Q232-L236 PolarHBondContact O-N 3.23Å; T233-L236 WeakPolarHBondContact O-CB 3.33Å; T233-L236 PolarHBondContact O-N 3.3Å; L236-R238 PolarHBondContact O-N 2.85Å; L236-F239 WeakPolarHBondContact O-CB 3.34Å; L236-F239 PolarHBondContact O-N 3.46Å; L236-L240 HydrophobicContact CD1-CD1 4.05Å; L236-L240 HydrophobicContact CD1-CD2 4.46Å; L236-L240 HydrophobicContact CD1-CG 4.07Å; L236-L240 HydrophobicContact CG-CD1 3.95Å; L236-L240 HydrophobicContact CG-CG 4.39Å; L236-L240 VanDerWaalsContact O-CG 3.27Å; L236-L240 WeakPolarHBondContact O-CG 3.34Å; L236-L240 PolarHBondContact O-N 3.23Å; L236-L300 HydrophobicContact CD2-CD2 4.1Å; L236-L300 HydrophobicContact CD2-CG 4.2Å; L236-A304 HydrophobicContact CD1-CB 4.46Å; L236-C350 HydrophobicContact CD1-CB 4.39Å; L236-M353 VanDerWaalsContact CA-SD 3.55Å; L236-M353 HydrophobicContact CB-CB 3.69Å; L236-M353 HydrophobicContact CB-SD 4.33Å; L236-M353 HydrophobicContact CD1-CB 4.11Å; L236-M353 HydrophobicContact CD1-CE 4.48Å; L236-M353 HydrophobicContact CG-CB 4.34Å; L236-M353 PolarHBondContact N-SD 3.4Å; L236-A355 HydrophobicContact CD2-CB 4.22Å
237I69.2Low64Low0 Ų055.6 Ų55.60%027%0.265CS..Hα-helixtrans-61.5-45.5-179.4-65164.8000110.6T233 F239 L240 L241 L280 F283 Q284 L300T233-I237 HydrophobicContact CG2-CD1 4Å; T233-I237 WeakPolarHBondContact O-CG1 3.36Å; T233-I237 PolarHBondContact O-N 3.44Å; I237-F239 VanDerWaalsContact C-N 3.32Å; I237-F239 PolarHBondContact O-N 2.9Å; I237-L240 PolarHBondContact O-N 3.35Å; I237-L241 HydrophobicContact CG2-CD1 3.93Å; I237-L241 HydrophobicContact CG2-CG 4.33Å; I237-L241 WeakPolarHBondContact O-CB 3.47Å; I237-L241 VanDerWaalsContact O-CG 3.3Å; I237-L241 WeakPolarHBondContact O-CG 3.18Å; I237-L241 PolarHBondContact O-N 3.43Å; I237-L280 HydrophobicContact CG2-CB 4.29Å; I237-F283 HydrophobicContact CD1-CB 4.11Å; I237-Q284 HydrophobicContact CD1-CB 4.37Å; I237-Q284 HydrophobicContact CG2-CB 4.1Å; I237-L300 HydrophobicContact CD1-CD2 4.31Å; I237-L300 HydrophobicContact CG1-CD1 3.99Å; I237-L300 HydrophobicContact CG1-CD2 4.08Å
238R76.1Confident66Low156 Ų15654.4 Ų54.459%0.58926%0.257SS*.Hα-helixtrans-59.6-41.1174.9-84.9-175.6-77.2165.3-11.3113S234 R235 L236 S242S234-R238 PolarHBondContact O-N 3.17Å; S234-R238 PolarHBondContact O-NE 3.5Å; S234-R238 VanDerWaalsContact O-NE 3.13Å; R235-R238 PolarHBondContact O-N 2.93Å; L236-R238 PolarHBondContact O-N 2.85Å; R238-S242 PolarHBondContact O-N 3.13Å
239F70.4Confident67.4Low21 Ų2152.5 Ų52.59%0.09225%0.251CS..Hα-helixtrans-62.8-48.8176.1171-114.7000111.7R235 L236 I237 L241 S242 E243 L346 Q349 M353R235-F239 WeakPolarHBondContact O-CB 3.35Å; R235-F239 PolarHBondContact O-N 2.82Å; L236-F239 WeakPolarHBondContact O-CB 3.34Å; L236-F239 PolarHBondContact O-N 3.46Å; I237-F239 VanDerWaalsContact C-N 3.32Å; I237-F239 PolarHBondContact O-N 2.9Å; F239-L241 VanDerWaalsContact C-N 3.32Å; F239-L241 PolarHBondContact O-N 3.28Å; F239-S242 WeakPolarHBondContact O-CB 3.24Å; F239-S242 PolarHBondContact O-N 2.64Å; F239-S242 PolarHBondContact O-OG 3.22Å; F239-E243 HydrophobicContact CD2-CG 4.34Å; F239-E243 HydrophobicContact CE1-CG 4.41Å; F239-E243 HydrophobicContact CE2-CG 3.85Å; F239-E243 HydrophobicContact CZ-CG 3.96Å; F239-E243 PolarHBondContact O-N 2.89Å; F239-L346 HydrophobicContact CE1-CD2 3.88Å; F239-L346 HydrophobicContact CE2-CD2 4.25Å; F239-L346 HydrophobicContact CZ-CD2 3.32Å; F239-L346 HydrophobicContact CZ-CG 4.41Å; F239-Q349 HydrophobicContact CD1-CB 4.37Å; F239-Q349 HydrophobicContact CE1-CB 3.84Å; F239-Q349 HydrophobicContact CE2-CB 4.42Å; F239-Q349 HydrophobicContact CZ-CB 3.83Å; F239-M353 HydrophobicContact CB-CE 3.59Å; F239-M353 HydrophobicContact CB-SD 4.24Å; F239-M353 HydrophobicContact CD1-CE 3.63Å; F239-M353 HydrophobicContact CD2-CE 4.42Å; F239-M353 HydrophobicContact CE1-CE 4.37Å; F239-M353 HydrophobicContact CG-CE 3.62Å
240L67.1Low68.1Low0 Ų049.8 Ų49.80%024%0.236CC..Hα-helixtrans-62.3-40.2178.7-64.2171.9000111.9L236 I237 S242 E243 L244 L280 A304 V307L236-L240 HydrophobicContact CD1-CD1 4.05Å; L236-L240 HydrophobicContact CD1-CD2 4.46Å; L236-L240 HydrophobicContact CD1-CG 4.07Å; L236-L240 HydrophobicContact CG-CD1 3.95Å; L236-L240 HydrophobicContact CG-CG 4.39Å; L236-L240 VanDerWaalsContact O-CG 3.27Å; L236-L240 WeakPolarHBondContact O-CG 3.34Å; L236-L240 PolarHBondContact O-N 3.23Å; I237-L240 PolarHBondContact O-N 3.35Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.86Å; L240-E243 PolarHBondContact O-N 2.86Å; L240-L244 WeakPolarHBondContact O-CG 3.48Å; L240-L244 PolarHBondContact O-N 3.2Å; L240-L280 HydrophobicContact CB-CD1 3.58Å; L240-L280 HydrophobicContact CB-CD2 4.21Å; L240-L280 HydrophobicContact CD1-CD2 3.81Å; L240-A304 HydrophobicContact CD1-CB 3.62Å; L240-A304 HydrophobicContact CD2-CB 4Å; L240-A304 HydrophobicContact CG-CB 4.41Å; L240-V307 HydrophobicContact CB-CG1 4.37Å; L240-V307 HydrophobicContact CD2-CB 4.09Å; L240-V307 HydrophobicContact CD2-CG1 3.99Å
241L78.8Confident68.8Low37 Ų3743.7 Ų43.719%0.19421%0.208CC..Hα-helixtrans-60.9-38.6172.9-73.4170.9000112I237 F239 E243 L244 H245 H277 L280I237-L241 HydrophobicContact CG2-CD1 3.93Å; I237-L241 HydrophobicContact CG2-CG 4.33Å; I237-L241 WeakPolarHBondContact O-CB 3.47Å; I237-L241 VanDerWaalsContact O-CG 3.3Å; I237-L241 WeakPolarHBondContact O-CG 3.18Å; I237-L241 PolarHBondContact O-N 3.43Å; F239-L241 VanDerWaalsContact C-N 3.32Å; F239-L241 PolarHBondContact O-N 3.28Å; L241-E243 VanDerWaalsContact C-N 3.35Å; L241-L244 PolarHBondContact O-N 3.41Å; L241-H245 WeakPolarHBondContact O-CB 3.28Å; L241-H245 PolarHBondContact O-N 3.4Å; L241-H277 VanDerWaalsContact CD2-ND1 3.26Å; L241-H277 WeakPolarHBondContact CD2-ND1 3.27Å; L241-L280 HydrophobicContact CD2-CB 3.89Å; L241-L280 HydrophobicContact CD2-CD1 4.01Å; L241-L280 HydrophobicContact CG-CB 4.25Å; L241-L280 HydrophobicContact CG-CD1 4.13Å
242S78.5Confident69.5Low60 Ų6043.4 Ų43.442%0.4221%0.209SC..Hα-helixtrans-66.9-35.4176.576.60000112.8R238 F239 L240 H245 W246R238-S242 PolarHBondContact O-N 3.13Å; F239-S242 WeakPolarHBondContact O-CB 3.24Å; F239-S242 PolarHBondContact O-N 2.64Å; F239-S242 PolarHBondContact O-OG 3.22Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.86Å; S242-H245 PolarHBondContact O-N 3.34Å; S242-W246 WeakPolarHBondContact O-CB 3.04Å; S242-W246 PolarHBondContact O-N 3.41Å
243E70.6Confident70Confident17 Ų1745 Ų458%0.07923%0.23CC..Hα-helixtrans-72.5-36.4176.6-65.7-66.9122.600111.7F239 L240 L241 W246 L247 V307 T311 R315 L346F239-E243 HydrophobicContact CD2-CG 4.34Å; F239-E243 HydrophobicContact CE1-CG 4.41Å; F239-E243 HydrophobicContact CE2-CG 3.85Å; F239-E243 HydrophobicContact CZ-CG 3.96Å; F239-E243 PolarHBondContact O-N 2.89Å; L240-E243 PolarHBondContact O-N 2.86Å; L241-E243 VanDerWaalsContact C-N 3.35Å; E243-W246 PolarHBondContact O-N 2.89Å; E243-L247 WeakPolarHBondContact O-CG 3.27Å; E243-L247 PolarHBondContact O-N 3.04Å; E243-V307 HydrophobicContact CB-CG1 4.43Å; E243-T311 HydrophobicContact CB-CG2 4.39Å; E243-T311 VanDerWaalsContact OE2-CG2 3.22Å; E243-T311 WeakPolarHBondContact OE2-CG2 3.03Å; E243-R315 IonicContact OE1-NH2 3.97Å; E243-R315 PolarHBondContact OE1-NH2 2.89Å; E243-R315 IonicContact OE2-CZ 3.8Å; E243-R315 VanDerWaalsContact OE2-CZ 3.23Å; E243-R315 IonicContact OE2-NH1 3.32Å; E243-R315 PolarHBondContact OE2-NH1 3.23Å; E243-R315 IonicContact OE2-NH2 3.24Å; E243-R315 PolarHBondContact OE2-NH2 3.34Å; E243-L346 HydrophobicContact CG-CD2 3.78Å; E243-L346 VanDerWaalsContact OE2-CD2 3.26Å; E243-L346 WeakPolarHBondContact OE2-CD2 3.24Å
244L73.1Confident70.2Confident0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-64.5-42170.5-68174.9000111.7L240 L241 W246 L247 E248 V273 F276 H277 L280 V307 M310L240-L244 WeakPolarHBondContact O-CG 3.48Å; L240-L244 PolarHBondContact O-N 3.2Å; L241-L244 PolarHBondContact O-N 3.41Å; L244-W246 VanDerWaalsContact C-N 3.3Å; L244-W246 PolarHBondContact O-N 3Å; L244-L247 HydrophobicContact CD2-CD1 3.98Å; L244-L247 VanDerWaalsContact O-CB 3.27Å; L244-L247 WeakPolarHBondContact O-CB 3.24Å; L244-L247 PolarHBondContact O-N 3.17Å; L244-L247 VanDerWaalsContact O-N 3.11Å; L244-E248 PolarHBondContact O-N 2.98Å; L244-V273 HydrophobicContact CB-CG1 4.31Å; L244-V273 HydrophobicContact CD2-CG1 4.18Å; L244-F276 HydrophobicContact CD1-CB 3.79Å; L244-F276 HydrophobicContact CD2-CB 4.02Å; L244-H277 WeakPolarHBondContact CB-NE2 3.34Å; L244-L280 HydrophobicContact CD1-CD1 3.56Å; L244-V307 HydrophobicContact CD2-CG1 3.93Å; L244-V307 HydrophobicContact CD2-CG2 4.13Å; L244-V307 HydrophobicContact CG-CG1 3.99Å; L244-V307 HydrophobicContact CG-CG2 4.44Å; L244-M310 HydrophobicContact CD2-CE 4.05Å
245H81.4Confident70.3Confident116 Ų11651.4 Ų51.454%0.53725%0.252SS..Hα-helixtrans-65.5-36.1176.4-167.557.3000112.2L241 S242 E248 S249L241-H245 WeakPolarHBondContact O-CB 3.28Å; L241-H245 PolarHBondContact O-N 3.4Å; S242-H245 PolarHBondContact O-N 3.34Å; H245-E248 IonicContact ND1-OE2 2.65Å; H245-E248 PolarHBondContact O-N 2.92Å; H245-S249 WeakPolarHBondContact O-CB 3.22Å; H245-S249 PolarHBondContact O-N 3.17Å; H245-S249 PolarHBondContact O-OG 2.84Å
246W77.4Confident70.5Confident72 Ų7251.1 Ų51.127%0.27326%0.26SS..Hα-helixtrans-62.5-42.6170.9179.888000111.5S242 E243 L244 E248 S249 A250 T311 A314 R315 V318S242-W246 WeakPolarHBondContact O-CB 3.04Å; S242-W246 PolarHBondContact O-N 3.41Å; E243-W246 PolarHBondContact O-N 2.89Å; L244-W246 VanDerWaalsContact C-N 3.3Å; L244-W246 PolarHBondContact O-N 3Å; W246-E248 PolarHBondContact O-N 3.22Å; W246-S249 PolarHBondContact O-N 3.46Å; W246-S249 PolarHBondContact O-OG 3.29Å; W246-A250 HydrophobicContact CD2-CB 3.97Å; W246-A250 VanDerWaalsContact CE2-CB 3.47Å; W246-A250 HydrophobicContact CG-CB 4.35Å; W246-A250 HydrophobicContact CH2-CB 4.16Å; W246-A250 HydrophobicContact CZ2-CB 3.61Å; W246-A250 WeakPolarHBondContact O-CB 3.39Å; W246-A250 PolarHBondContact O-N 3.39Å; W246-T311 HydrophobicContact CE3-CG2 3.76Å; W246-T311 HydrophobicContact CZ3-CG2 3.97Å; W246-A314 HydrophobicContact CZ3-CB 4.11Å; W246-R315 HydrophobicContact CE3-CG 4.36Å; W246-R315 HydrophobicContact CH2-CB 4.13Å; W246-R315 HydrophobicContact CH2-CG 3.11Å; W246-R315 HydrophobicContact CZ2-CG 3.71Å; W246-R315 HydrophobicContact CZ3-CG 3.47Å; W246-R315 VanDerWaalsContact CZ3-CG 3.47Å; W246-V318 HydrophobicContact CH2-CG2 4.38Å
247L69.7Low70.6Confident0 Ų053.9 Ų53.90%028%0.28CS..Hα-helixtrans-56.5-48.6174.9-82.5161.6000111.3E243 L244 I251 L269 M310 T311 A314E243-L247 WeakPolarHBondContact O-CG 3.27Å; E243-L247 PolarHBondContact O-N 3.04Å; L244-L247 HydrophobicContact CD2-CD1 3.98Å; L244-L247 VanDerWaalsContact O-CB 3.27Å; L244-L247 WeakPolarHBondContact O-CB 3.24Å; L244-L247 PolarHBondContact O-N 3.17Å; L244-L247 VanDerWaalsContact O-N 3.11Å; L247-I251 HydrophobicContact CB-CD1 4.4Å; L247-I251 HydrophobicContact CD2-CD1 3.58Å; L247-I251 HydrophobicContact CD2-CG1 4.48Å; L247-I251 VanDerWaalsContact O-CB 3.23Å; L247-I251 WeakPolarHBondContact O-CB 3.34Å; L247-I251 WeakPolarHBondContact O-CD1 3.48Å; L247-I251 WeakPolarHBondContact O-CG1 3.42Å; L247-I251 PolarHBondContact O-N 3.39Å; L247-L269 HydrophobicContact CD2-CD2 3.84Å; L247-M310 HydrophobicContact CD1-CB 4.25Å; L247-T311 VanDerWaalsContact CD1-OG1 3.28Å; L247-T311 WeakPolarHBondContact CD1-OG1 3.26Å; L247-T311 HydrophobicContact CG-CG2 4.41Å; L247-A314 HydrophobicContact CD2-CB 3.14Å
248E76.7Confident70.4Confident62 Ų6254.3 Ų54.329%0.2928%0.282SS..Hα-helixtrans-63-47.5179.3-65.5-179.915200112.2L244 H245 W246 L252 V273 H277L244-E248 PolarHBondContact O-N 2.98Å; H245-E248 IonicContact ND1-OE2 2.65Å; H245-E248 PolarHBondContact O-N 2.92Å; W246-E248 PolarHBondContact O-N 3.22Å; E248-L252 VanDerWaalsContact O-CD1 3.27Å; E248-L252 WeakPolarHBondContact O-CD1 3.43Å; E248-L252 VanDerWaalsContact O-CG 3.26Å; E248-L252 WeakPolarHBondContact O-CG 3.23Å; E248-V273 HydrophobicContact CG-CG1 3.61Å; E248-V273 WeakPolarHBondContact OE1-CG1 3.19Å; E248-H277 IonicContact OE1-CD2 3.16Å; E248-H277 PolarHBondContact OE1-CD2 2.88Å; E248-H277 IonicContact OE1-NE2 3.5Å; E248-H277 IonicContact OE2-NE2 3.12Å
249S72.7Confident69.8Low63 Ų6349 Ų4944%0.44127%0.265SS..Hα-helixtrans-78-47.7-173.1540000113.4H245 W246H245-S249 WeakPolarHBondContact O-CB 3.22Å; H245-S249 PolarHBondContact O-N 3.17Å; H245-S249 PolarHBondContact O-OG 2.84Å; W246-S249 PolarHBondContact O-N 3.46Å; W246-S249 PolarHBondContact O-OG 3.29Å
250A62.9Low69.7Low15 Ų1554 Ų5412%0.12429%0.292CS..Hα-helixtrans-73.7-43.1-17400000111.3W246 L252 A253 F254W246-A250 HydrophobicContact CD2-CB 3.97Å; W246-A250 VanDerWaalsContact CE2-CB 3.47Å; W246-A250 HydrophobicContact CG-CB 4.35Å; W246-A250 HydrophobicContact CH2-CB 4.16Å; W246-A250 HydrophobicContact CZ2-CB 3.61Å; W246-A250 WeakPolarHBondContact O-CB 3.39Å; W246-A250 PolarHBondContact O-N 3.39Å; A250-L252 PolarHBondContact O-N 3.09Å; A250-A253 WeakPolarHBondContact O-CB 3.44Å; A250-A253 PolarHBondContact O-N 3.32Å; A250-F254 WeakPolarHBondContact O-CD2 3.3Å; A250-F254 PolarHBondContact O-N 3.04Å
251I65.4Low69.3Low1 Ų160.9 Ų60.91%0.00533%0.325CS..Hα-helixtrans-66-40.2-175.9-61.6176.8000111.5L247 A253 F254 R255 M258 V266 L269 L270 A314L247-I251 HydrophobicContact CB-CD1 4.4Å; L247-I251 HydrophobicContact CD2-CD1 3.58Å; L247-I251 HydrophobicContact CD2-CG1 4.48Å; L247-I251 VanDerWaalsContact O-CB 3.23Å; L247-I251 WeakPolarHBondContact O-CB 3.34Å; L247-I251 WeakPolarHBondContact O-CD1 3.48Å; L247-I251 WeakPolarHBondContact O-CG1 3.42Å; L247-I251 PolarHBondContact O-N 3.39Å; I251-A253 PolarHBondContact O-N 2.9Å; I251-F254 CarbonylContact O-C 3.58Å; I251-F254 PolarHBondContact O-N 2.92Å; I251-R255 PolarHBondContact O-N 3.08Å; I251-M258 HydrophobicContact CG2-CE 4.16Å; I251-V266 HydrophobicContact CG2-CB 4.01Å; I251-V266 HydrophobicContact CG2-CG1 3.13Å; I251-V266 HydrophobicContact CG2-CG2 3.69Å; I251-L269 HydrophobicContact CD1-CD2 4.42Å; I251-L270 HydrophobicContact CD1-CD2 4.4Å; I251-L270 HydrophobicContact CG2-CD1 4.33Å; I251-A314 HydrophobicContact CD1-CB 3.34Å; I251-A314 HydrophobicContact CG1-CB 3.85Å
252L68Low68.4Low94 Ų9462.6 Ų62.649%0.49233%0.329SS..Hα-helixtrans-58.6-37.2176.7-75.2175.6000111.8E248 A250 F254 R255 L270E248-L252 VanDerWaalsContact O-CD1 3.27Å; E248-L252 WeakPolarHBondContact O-CD1 3.43Å; E248-L252 VanDerWaalsContact O-CG 3.26Å; E248-L252 WeakPolarHBondContact O-CG 3.23Å; A250-L252 PolarHBondContact O-N 3.09Å; L252-F254 PolarHBondContact O-N 3.02Å; L252-R255 WeakPolarHBondContact O-CB 3.41Å; L252-R255 PolarHBondContact O-N 3.39Å; L252-L270 HydrophobicContact CD2-CD1 4.07Å; L252-L270 HydrophobicContact CG-CD1 4.43Å
253A64.3Low67.7Low76 Ų7661.9 Ų61.963%0.62832%0.319SS*.Hα-helixtrans-65.6-23.7177.400000113.7A250 I251A250-A253 WeakPolarHBondContact O-CB 3.44Å; A250-A253 PolarHBondContact O-N 3.32Å; I251-A253 PolarHBondContact O-N 2.9Å
254F62.7Low67.5Low63 Ų6365.6 Ų65.628%0.27634%0.338SS..Hα-helixtrans-103.9-6.6178.3-69.1-79000113.5A250 I251 L252 D256 S257 M258 V318 V321 C322A250-F254 WeakPolarHBondContact O-CD2 3.3Å; A250-F254 PolarHBondContact O-N 3.04Å; I251-F254 CarbonylContact O-C 3.58Å; I251-F254 PolarHBondContact O-N 2.92Å; L252-F254 PolarHBondContact O-N 3.02Å; F254-D256 PolarHBondContact O-N 2.67Å; F254-S257 WeakPolarHBondContact O-CB 3.39Å; F254-S257 PolarHBondContact O-N 3.4Å; F254-M258 HydrophobicContact CB-CE 3.56Å; F254-M258 WeakPolarHBondContact O-CG 2.98Å; F254-M258 PolarHBondContact O-N 3.11Å; F254-V318 HydrophobicContact CB-CG2 4.31Å; F254-V318 HydrophobicContact CD1-CG1 4.31Å; F254-V318 HydrophobicContact CD2-CB 4.13Å; F254-V318 HydrophobicContact CD2-CG1 3.45Å; F254-V318 VanDerWaalsContact CD2-CG1 3.45Å; F254-V318 HydrophobicContact CD2-CG2 3.7Å; F254-V318 HydrophobicContact CE1-CG1 4.25Å; F254-V318 HydrophobicContact CE2-CG1 3.4Å; F254-V318 VanDerWaalsContact CE2-CG1 3.4Å; F254-V318 HydrophobicContact CE2-CG2 4.39Å; F254-V318 HydrophobicContact CG-CB 4.45Å; F254-V318 HydrophobicContact CG-CG1 3.95Å; F254-V318 HydrophobicContact CG-CG2 4.18Å; F254-V318 HydrophobicContact CZ-CG1 3.82Å; F254-V321 HydrophobicContact CB-CG1 4.26Å; F254-V321 HydrophobicContact CD1-CB 4.47Å; F254-V321 HydrophobicContact CD1-CG1 3.92Å; F254-C322 WeakPolarHBondContact CE1-SG 3.16Å
255R66.3Low66.8Low96 Ų9668.3 Ų68.336%0.36236%0.355SS..Hα-helixtrans-52.4-51.5-172.4-170.1-171.174.9173.24.1112.3I251 L252 S257 M258 Q263I251-R255 PolarHBondContact O-N 3.08Å; L252-R255 WeakPolarHBondContact O-CB 3.41Å; L252-R255 PolarHBondContact O-N 3.39Å; R255-S257 PolarHBondContact O-N 3.27Å; R255-S257 VanDerWaalsContact O-N 3.16Å; R255-M258 PolarHBondContact O-N 2.86Å; R255-M258 VanDerWaalsContact O-N 3.11Å; R255-Q263 WeakPolarHBondContact O-CG 2.81Å; R255-Q263 PolarHBondContact O-NE2 2.99Å
256D68.1Low65.8Low124 Ų12463.1 Ų63.166%0.66333%0.331SS*.THydrogen-bonded Turntrans-73-10.6-173.9-58.2-18.2000112.5F254F254-D256 PolarHBondContact O-N 2.67Å
257S63.3Low65.4Low58 Ų5863.7 Ų63.741%0.40634%0.337SS..THydrogen-bonded Turntrans-99-5.4176.2-560000113.2F254 R255F254-S257 WeakPolarHBondContact O-CB 3.39Å; F254-S257 PolarHBondContact O-N 3.4Å; R255-S257 PolarHBondContact O-N 3.27Å; R255-S257 VanDerWaalsContact O-N 3.16Å
258M64.2Low65.4Low10 Ų1069.3 Ų69.35%0.04936%0.363CS..SBendtrans-83.8154.8179.3-47.1-141.217900111.8I251 F254 R255 W262 Q263 V266 V318 V321I251-M258 HydrophobicContact CG2-CE 4.16Å; F254-M258 HydrophobicContact CB-CE 3.56Å; F254-M258 WeakPolarHBondContact O-CG 2.98Å; F254-M258 PolarHBondContact O-N 3.11Å; R255-M258 PolarHBondContact O-N 2.86Å; R255-M258 VanDerWaalsContact O-N 3.11Å; M258-W262 HydrophobicContact CB-CB 4.17Å; M258-W262 HydrophobicContact SD-CB 4.2Å; M258-Q263 HydrophobicContact CB-CG 3.74Å; M258-Q263 PolarHBondContact O-NE2 2.82Å; M258-V266 HydrophobicContact CE-CG2 4.2Å; M258-V266 HydrophobicContact SD-CG2 3.84Å; M258-V318 HydrophobicContact CE-CG2 4.13Å; M258-V321 HydrophobicContact CB-CG2 3.92Å; M258-V321 HydrophobicContact CE-CG2 4Å; M258-V321 HydrophobicContact CG-CG2 3.36Å; M258-V321 HydrophobicContact SD-CG2 3.69Å
259N64.2Low64.6Low44 Ų4467.3 Ų67.324%0.23536%0.355CS..  trans-72.5159.4170.671.40000110.6E261 W262 Q263N259-E261 PolarHBondContact O-N 3.23Å; N259-E261 VanDerWaalsContact O-N 3.09Å; N259-W262 PolarHBondContact O-N 3.41Å; N259-W262 VanDerWaalsContact O-N 3.1Å; N259-W262 WeakPolarHBondContact OD1-CB 3.39Å; N259-W262 PolarHBondContact OD1-N 2.99Å; N259-Q263 WeakPolarHBondContact O-CG 3.08Å; N259-Q263 PolarHBondContact O-N 3.23Å
260N67.9Low64.4Low125 Ų12566 Ų6667%0.66834%0.342SS*.Hα-helixtrans-53.5-36.5-175.4-66.83.5000113.4Q263 I264N260-Q263 PolarHBondContact O-N 3.05Å; N260-I264 WeakPolarHBondContact O-CD1 3.26Å; N260-I264 WeakPolarHBondContact O-CG1 3.35Å; N260-I264 PolarHBondContact O-N 3.44Å
261E59.2Low65Low145 Ų14572.4 Ų72.468%0.67837%0.367SS*.Hα-helixtrans-67-47.2179.5-165.6175.2-169.600112N259 I264 T265N259-E261 PolarHBondContact O-N 3.23Å; N259-E261 VanDerWaalsContact O-N 3.09Å; E261-I264 PolarHBondContact O-N 3.43Å; E261-T265 PolarHBondContact O-N 3.4Å; E261-T265 VanDerWaalsContact O-N 3.09Å; E261-T265 PolarHBondContact O-OG1 3.38Å
262W59.4Low65Low74 Ų7475.5 Ų75.528%0.2839%0.386SS..Hα-helixtrans-69.5-33.6174.8-83.4101.5000112.6M258 N259 I264 T265 V266 I313M258-W262 HydrophobicContact CB-CB 4.17Å; M258-W262 HydrophobicContact SD-CB 4.2Å; N259-W262 PolarHBondContact O-N 3.41Å; N259-W262 VanDerWaalsContact O-N 3.1Å; N259-W262 WeakPolarHBondContact OD1-CB 3.39Å; N259-W262 PolarHBondContact OD1-N 2.99Å; W262-I264 VanDerWaalsContact C-N 3.33Å; W262-T265 PolarHBondContact O-N 3.01Å; W262-V266 WeakPolarHBondContact O-CB 3.46Å; W262-V266 VanDerWaalsContact O-CG2 3.31Å; W262-V266 WeakPolarHBondContact O-CG2 3.24Å; W262-V266 PolarHBondContact O-N 3.29Å; W262-I313 HydrophobicContact CZ3-CG2 4.11Å
263Q63.7Low65Low44 Ų4471 Ų7121%0.20636%0.363CS..Hα-helixtrans-58.5-46.4172.8-73.9-178.5-2300110.7R255 M258 N259 N260 V266 E267R255-Q263 WeakPolarHBondContact O-CG 2.81Å; R255-Q263 PolarHBondContact O-NE2 2.99Å; M258-Q263 HydrophobicContact CB-CG 3.74Å; M258-Q263 PolarHBondContact O-NE2 2.82Å; N259-Q263 WeakPolarHBondContact O-CG 3.08Å; N259-Q263 PolarHBondContact O-N 3.23Å; N260-Q263 PolarHBondContact O-N 3.05Å; Q263-V266 PolarHBondContact O-N 3.31Å; Q263-E267 WeakPolarHBondContact O-CB 3.07Å; Q263-E267 VanDerWaalsContact O-CG 3.31Å; Q263-E267 WeakPolarHBondContact O-CG 3.43Å; Q263-E267 PolarHBondContact O-N 3.31Å
264I67.7Low65.5Low95 Ų9571 Ų7149%0.48736%0.356SS..Hα-helixtrans-62.3-49.3177.7-67.8162.7000110.7N260 E261 W262 V266 E267 E268N260-I264 WeakPolarHBondContact O-CD1 3.26Å; N260-I264 WeakPolarHBondContact O-CG1 3.35Å; N260-I264 PolarHBondContact O-N 3.44Å; E261-I264 PolarHBondContact O-N 3.43Å; W262-I264 VanDerWaalsContact C-N 3.33Å; I264-V266 VanDerWaalsContact C-N 3.28Å; I264-V266 PolarHBondContact O-N 2.67Å; I264-E267 PolarHBondContact O-N 3.11Å; I264-E268 WeakPolarHBondContact O-CG 3.24Å; I264-E268 PolarHBondContact O-N 3.44Å
265T58.7Low65.8Low58 Ų5871.2 Ų71.236%0.35637%0.365SS..Hα-helixtrans-60.5-39.2178.2-53.80000112.1E261 W262 L269E261-T265 PolarHBondContact O-N 3.4Å; E261-T265 VanDerWaalsContact O-N 3.09Å; E261-T265 PolarHBondContact O-OG1 3.38Å; W262-T265 PolarHBondContact O-N 3.01Å; T265-L269 VanDerWaalsContact O-CB 3.31Å; T265-L269 WeakPolarHBondContact O-CB 3.37Å; T265-L269 PolarHBondContact O-N 3.14Å
266V59.7Low65.9Low6 Ų667.9 Ų67.94%0.03635%0.353CS..Hα-helixtrans-65.9-44.7175.51490000111.7I251 M258 W262 Q263 I264 E268 L269 L270I251-V266 HydrophobicContact CG2-CB 4.01Å; I251-V266 HydrophobicContact CG2-CG1 3.13Å; I251-V266 HydrophobicContact CG2-CG2 3.69Å; M258-V266 HydrophobicContact CE-CG2 4.2Å; M258-V266 HydrophobicContact SD-CG2 3.84Å; W262-V266 WeakPolarHBondContact O-CB 3.46Å; W262-V266 VanDerWaalsContact O-CG2 3.31Å; W262-V266 WeakPolarHBondContact O-CG2 3.24Å; W262-V266 PolarHBondContact O-N 3.29Å; Q263-V266 PolarHBondContact O-N 3.31Å; I264-V266 VanDerWaalsContact C-N 3.28Å; I264-V266 PolarHBondContact O-N 2.67Å; V266-E268 VanDerWaalsContact C-N 3.33Å; V266-E268 PolarHBondContact O-N 3.14Å; V266-L269 PolarHBondContact O-N 3.49Å; V266-L270 HydrophobicContact CG1-CD1 3.89Å; V266-L270 HydrophobicContact CG1-CG 4.42Å; V266-L270 WeakPolarHBondContact O-CB 3.36Å; V266-L270 VanDerWaalsContact O-CG 3.32Å; V266-L270 WeakPolarHBondContact O-CG 3.49Å; V266-L270 PolarHBondContact O-N 3.11Å
267E68.8Low66.2Low84 Ų8463.6 Ų63.639%0.39333%0.33SS..Hα-helixtrans-65-38.5178.9-78.5-179.7178.800111.7Q263 I264 K271Q263-E267 WeakPolarHBondContact O-CB 3.07Å; Q263-E267 VanDerWaalsContact O-CG 3.31Å; Q263-E267 WeakPolarHBondContact O-CG 3.43Å; Q263-E267 PolarHBondContact O-N 3.31Å; I264-E267 PolarHBondContact O-N 3.11Å; E267-K271 VanDerWaalsContact O-CG 3.27Å; E267-K271 WeakPolarHBondContact O-CG 3.18Å; E267-K271 PolarHBondContact O-N 3.05Å; E267-K271 VanDerWaalsContact O-N 3.13Å
268E69Low66.6Low119 Ų11964.4 Ų64.456%0.55634%0.335SS*.Hα-helixtrans-64.4-42172.7-72.5-174.5162.500112I264 V266 K271I264-E268 WeakPolarHBondContact O-CG 3.24Å; I264-E268 PolarHBondContact O-N 3.44Å; V266-E268 VanDerWaalsContact C-N 3.33Å; V266-E268 PolarHBondContact O-N 3.14Å; E268-K271 PolarHBondContact O-N 2.97Å
269L61.3Low66.6Low20 Ų2067 Ų6711%0.10535%0.348CS..Hα-helixtrans-66.9-41.2177.7-163.2146.2000111.3L247 I251 T265 V266 K271 V272 V273 M310 I313L247-L269 HydrophobicContact CD2-CD2 3.84Å; I251-L269 HydrophobicContact CD1-CD2 4.42Å; T265-L269 VanDerWaalsContact O-CB 3.31Å; T265-L269 WeakPolarHBondContact O-CB 3.37Å; T265-L269 PolarHBondContact O-N 3.14Å; V266-L269 PolarHBondContact O-N 3.49Å; L269-K271 VanDerWaalsContact C-N 3.29Å; L269-K271 PolarHBondContact O-N 2.93Å; L269-V272 WeakPolarHBondContact O-CG2 3.36Å; L269-V272 PolarHBondContact O-N 3.45Å; L269-V273 HydrophobicContact CD2-CG2 4.5Å; L269-V273 WeakPolarHBondContact O-CG2 3.21Å; L269-V273 PolarHBondContact O-N 3.27Å; L269-M310 HydrophobicContact CD1-CB 4.28Å; L269-M310 HydrophobicContact CD1-CG 4.33Å; L269-M310 HydrophobicContact CD2-CB 4.24Å; L269-M310 HydrophobicContact CG-CB 4.43Å; L269-M310 HydrophobicContact CG-CG 4.34Å; L269-M310 HydrophobicContact CG-SD 4.44Å; L269-I313 HydrophobicContact CD1-CB 4.36Å; L269-I313 HydrophobicContact CD1-CG2 4.16Å
270L67.6Low66.8Low34 Ų3464.9 Ų64.918%0.17834%0.337CS..Hα-helixtrans-64.9-29.1176.2-73.6173.7000113I251 L252 V266 V272 V273 P274I251-L270 HydrophobicContact CD1-CD2 4.4Å; I251-L270 HydrophobicContact CG2-CD1 4.33Å; L252-L270 HydrophobicContact CD2-CD1 4.07Å; L252-L270 HydrophobicContact CG-CD1 4.43Å; V266-L270 HydrophobicContact CG1-CD1 3.89Å; V266-L270 HydrophobicContact CG1-CG 4.42Å; V266-L270 WeakPolarHBondContact O-CB 3.36Å; V266-L270 VanDerWaalsContact O-CG 3.32Å; V266-L270 WeakPolarHBondContact O-CG 3.49Å; V266-L270 PolarHBondContact O-N 3.11Å; L270-V272 VanDerWaalsContact C-N 3.28Å; L270-V272 PolarHBondContact O-N 3.48Å; L270-V273 HydrophobicContact CD2-CG2 4.49Å; L270-V273 PolarHBondContact O-N 3Å; L270-P274 WeakPolarHBondContact O-CD 3.43Å
271K74.8Confident67.2Low151 Ų15163 Ų6366%0.65733%0.327SS*.Hα-helixtrans-64.4-29.4176.4-75.9167-168.6170.30113.3E267 E268 L269E267-K271 VanDerWaalsContact O-CG 3.27Å; E267-K271 WeakPolarHBondContact O-CG 3.18Å; E267-K271 PolarHBondContact O-N 3.05Å; E267-K271 VanDerWaalsContact O-N 3.13Å; E268-K271 PolarHBondContact O-N 2.97Å; L269-K271 VanDerWaalsContact C-N 3.29Å; L269-K271 PolarHBondContact O-N 2.93Å
272V66.9Low67.8Low65 Ų6559 Ų5939%0.39432%0.315SS..Hα-helixtrans-91.2-15.5-179.9-81.30000113.8L269 L270 S275 F276 M310L269-V272 WeakPolarHBondContact O-CG2 3.36Å; L269-V272 PolarHBondContact O-N 3.45Å; L270-V272 VanDerWaalsContact C-N 3.28Å; L270-V272 PolarHBondContact O-N 3.48Å; V272-S275 WeakPolarHBondContact O-CB 3.48Å; V272-S275 PolarHBondContact O-N 3.31Å; V272-S275 VanDerWaalsContact O-N 3.14Å; V272-F276 HydrophobicContact CB-CE2 4.43Å; V272-F276 WeakPolarHBondContact O-CD2 3.47Å; V272-F276 PolarHBondContact O-N 3.08Å; V272-M310 HydrophobicContact CG2-SD 4.28Å
273V67.2Low68Low1 Ų156.7 Ų56.71%0.00631%0.307CS..Hα-helixtrans-56.3-44.4-179.5175.30000113.7L244 E248 L269 L270 S275 F276 H277L244-V273 HydrophobicContact CB-CG1 4.31Å; L244-V273 HydrophobicContact CD2-CG1 4.18Å; E248-V273 HydrophobicContact CG-CG1 3.61Å; E248-V273 WeakPolarHBondContact OE1-CG1 3.19Å; L269-V273 HydrophobicContact CD2-CG2 4.5Å; L269-V273 WeakPolarHBondContact O-CG2 3.21Å; L269-V273 PolarHBondContact O-N 3.27Å; L270-V273 HydrophobicContact CD2-CG2 4.49Å; L270-V273 PolarHBondContact O-N 3Å; V273-S275 VanDerWaalsContact C-N 3.26Å; V273-S275 PolarHBondContact O-N 3.18Å; V273-F276 PolarHBondContact O-N 3.29Å; V273-F276 VanDerWaalsContact O-N 3.08Å; V273-H277 PolarHBondContact O-N 2.85Å
274P75.7Confident68.4Low75 Ų7556.2 Ų56.249%0.48731%0.305SS..Hα-helixtrans-60.3-34.7177.7-25.335.4000113.4L270 H277 S278L270-P274 WeakPolarHBondContact O-CD 3.43Å; P274-H277 WeakPolarHBondContact O-CB 3.44Å; P274-H277 PolarHBondContact O-N 3.5Å; P274-S278 PolarHBondContact O-N 2.74Å
275S67.9Low68.6Low67 Ų6754.7 Ų54.747%0.46931%0.306SS..Hα-helixtrans-64.6-40.9175.8-56.20000111.1V272 V273 S278 I279V272-S275 WeakPolarHBondContact O-CB 3.48Å; V272-S275 PolarHBondContact O-N 3.31Å; V272-S275 VanDerWaalsContact O-N 3.14Å; V273-S275 VanDerWaalsContact C-N 3.26Å; V273-S275 PolarHBondContact O-N 3.18Å; S275-S278 WeakPolarHBondContact O-CB 3.44Å; S275-S278 PolarHBondContact O-N 2.93Å; S275-I279 VanDerWaalsContact O-CG1 3.25Å; S275-I279 WeakPolarHBondContact O-CG1 3.36Å; S275-I279 PolarHBondContact O-N 3.37Å
276F68.1Low68.9Low26 Ų2658.3 Ų58.311%0.11431%0.313CS..Hα-helixtrans-68.3-35.5175.2-79.2-80.1000113L244 V272 V273 S278 I279 L280 V303 L306 V307 M310L244-F276 HydrophobicContact CD1-CB 3.79Å; L244-F276 HydrophobicContact CD2-CB 4.02Å; V272-F276 HydrophobicContact CB-CE2 4.43Å; V272-F276 WeakPolarHBondContact O-CD2 3.47Å; V272-F276 PolarHBondContact O-N 3.08Å; V273-F276 PolarHBondContact O-N 3.29Å; V273-F276 VanDerWaalsContact O-N 3.08Å; F276-S278 VanDerWaalsContact C-N 3.35Å; F276-I279 PolarHBondContact O-N 3.13Å; F276-L280 WeakPolarHBondContact O-CB 3.1Å; F276-L280 WeakPolarHBondContact O-CG 3.14Å; F276-L280 PolarHBondContact O-N 3.43Å; F276-V303 HydrophobicContact CD1-CG1 4.16Å; F276-V303 HydrophobicContact CE1-CG1 4.47Å; F276-L306 HydrophobicContact CE1-CB 3.8Å; F276-L306 HydrophobicContact CE1-CD1 4.04Å; F276-L306 HydrophobicContact CZ-CB 3.89Å; F276-L306 HydrophobicContact CZ-CD1 3.99Å; F276-V307 HydrophobicContact CB-CG2 4.49Å; F276-V307 HydrophobicContact CD1-CG2 3.82Å; F276-V307 HydrophobicContact CE1-CG2 4.38Å; F276-V307 HydrophobicContact CG-CG2 4.32Å; F276-M310 HydrophobicContact CD1-CE 4.3Å; F276-M310 HydrophobicContact CD2-CE 3.44Å; F276-M310 VanDerWaalsContact CD2-CE 3.44Å; F276-M310 HydrophobicContact CD2-SD 4.08Å; F276-M310 HydrophobicContact CE1-CE 4.38Å; F276-M310 HydrophobicContact CE2-CE 3.54Å; F276-M310 HydrophobicContact CE2-SD 3.78Å; F276-M310 HydrophobicContact CG-CE 3.85Å; F276-M310 HydrophobicContact CZ-CE 4.02Å; F276-M310 HydrophobicContact CZ-SD 4.47Å
277H74.4Confident69Low35 Ų3559.1 Ų59.116%0.16232%0.316CS..Hα-helixtrans-58.9-46.3169.7-88.8-59.7000111.6L241 L244 E248 V273 P274 I279 L280 N281L241-H277 VanDerWaalsContact CD2-ND1 3.26Å; L241-H277 WeakPolarHBondContact CD2-ND1 3.27Å; L244-H277 WeakPolarHBondContact CB-NE2 3.34Å; E248-H277 IonicContact OE1-CD2 3.16Å; E248-H277 PolarHBondContact OE1-CD2 2.88Å; E248-H277 IonicContact OE1-NE2 3.5Å; E248-H277 IonicContact OE2-NE2 3.12Å; V273-H277 PolarHBondContact O-N 2.85Å; P274-H277 WeakPolarHBondContact O-CB 3.44Å; P274-H277 PolarHBondContact O-N 3.5Å; H277-I279 PolarHBondContact O-N 3.42Å; H277-L280 PolarHBondContact O-N 3.45Å; H277-N281 WeakPolarHBondContact O-CB 3.29Å; H277-N281 PolarHBondContact O-N 2.93Å; H277-N281 PolarHBondContact O-ND2 3.41Å
278S72Confident68.8Low74 Ų7460.4 Ų60.452%0.51733%0.326SS..Hα-helixtrans-61.5-43.7176.9-173.90000112.5P274 S275 F276 N281 S282P274-S278 PolarHBondContact O-N 2.74Å; S275-S278 WeakPolarHBondContact O-CB 3.44Å; S275-S278 PolarHBondContact O-N 2.93Å; F276-S278 VanDerWaalsContact C-N 3.35Å; S278-N281 PolarHBondContact O-N 2.78Å; S278-S282 WeakPolarHBondContact O-CB 3.23Å; S278-S282 PolarHBondContact O-N 2.64Å; S278-S282 PolarHBondContact O-OG 3.27Å
279I65.4Low68.7Low64 Ų6459.5 Ų59.533%0.32833%0.333SS..Hα-helixtrans-61.8-49.5177.7-70164.5000110.4S275 F276 H277 N281 S282 F283 V303S275-I279 VanDerWaalsContact O-CG1 3.25Å; S275-I279 WeakPolarHBondContact O-CG1 3.36Å; S275-I279 PolarHBondContact O-N 3.37Å; F276-I279 PolarHBondContact O-N 3.13Å; H277-I279 PolarHBondContact O-N 3.42Å; I279-N281 PolarHBondContact O-N 3.04Å; I279-S282 WeakPolarHBondContact O-CB 3.35Å; I279-S282 PolarHBondContact O-N 3.21Å; I279-F283 HydrophobicContact CG2-CD2 3.75Å; I279-F283 HydrophobicContact CG2-CE2 3.68Å; I279-F283 VanDerWaalsContact O-CD2 3.26Å; I279-F283 WeakPolarHBondContact O-CD2 3.45Å; I279-F283 PolarHBondContact O-N 3.44Å; I279-V303 HydrophobicContact CG2-CG1 4.03Å; I279-V303 HydrophobicContact CG2-CG2 3.77Å
280L67.7Low68.1Low0 Ų060.4 Ų60.40%035%0.347CS..Hα-helixtrans-66.3-38.1-179.7-72.7176.9000112.8I237 L240 L241 L244 F276 H277 S282 F283 Q284 L300 V303I237-L280 HydrophobicContact CG2-CB 4.29Å; L240-L280 HydrophobicContact CB-CD1 3.58Å; L240-L280 HydrophobicContact CB-CD2 4.21Å; L240-L280 HydrophobicContact CD1-CD2 3.81Å; L241-L280 HydrophobicContact CD2-CB 3.89Å; L241-L280 HydrophobicContact CD2-CD1 4.01Å; L241-L280 HydrophobicContact CG-CB 4.25Å; L241-L280 HydrophobicContact CG-CD1 4.13Å; L244-L280 HydrophobicContact CD1-CD1 3.56Å; F276-L280 WeakPolarHBondContact O-CB 3.1Å; F276-L280 WeakPolarHBondContact O-CG 3.14Å; F276-L280 PolarHBondContact O-N 3.43Å; H277-L280 PolarHBondContact O-N 3.45Å; L280-S282 VanDerWaalsContact C-N 3.29Å; L280-S282 PolarHBondContact O-N 3.01Å; L280-F283 PolarHBondContact O-N 3.44Å; L280-Q284 WeakPolarHBondContact O-CB 3.43Å; L280-Q284 PolarHBondContact O-N 3.46Å; L280-L300 HydrophobicContact CD2-CD1 4.02Å; L280-V303 HydrophobicContact CD2-CG1 3.72Å; L280-V303 HydrophobicContact CG-CG1 4.21Å
281N77Confident67.4Low87 Ų8760.3 Ų60.347%0.46535%0.347SS..Hα-helixtrans-65.3-35.7173.8-72.2-21.2000111.5H277 S278 I279 Q284 A285H277-N281 WeakPolarHBondContact O-CB 3.29Å; H277-N281 PolarHBondContact O-N 2.93Å; H277-N281 PolarHBondContact O-ND2 3.41Å; S278-N281 PolarHBondContact O-N 2.78Å; I279-N281 PolarHBondContact O-N 3.04Å; N281-Q284 PolarHBondContact O-N 3.15Å; N281-A285 WeakPolarHBondContact O-CB 3.3Å; N281-A285 PolarHBondContact O-N 2.63Å
282S70.4Confident66.3Low61 Ų6164 Ų6443%0.42736%0.357SS..Hα-helixtrans-66.6-42173.2-60.70000111.4S278 I279 L280 Q284 R286S278-S282 WeakPolarHBondContact O-CB 3.23Å; S278-S282 PolarHBondContact O-N 2.64Å; S278-S282 PolarHBondContact O-OG 3.27Å; I279-S282 WeakPolarHBondContact O-CB 3.35Å; I279-S282 PolarHBondContact O-N 3.21Å; L280-S282 VanDerWaalsContact C-N 3.29Å; L280-S282 PolarHBondContact O-N 3.01Å; S282-Q284 VanDerWaalsContact C-N 3.35Å; S282-R286 WeakPolarHBondContact O-CB 3.34Å; S282-R286 WeakPolarHBondContact O-CG 3.42Å; S282-R286 PolarHBondContact O-N 3.47Å
283F65Low65.5Low25 Ų2563.2 Ų63.211%0.1135%0.354CS..Hα-helixtrans-61.2-42171.2-85.8-74000111.9I237 I279 L280 R286 F287 L291 E296 A299 L300 V303I237-F283 HydrophobicContact CD1-CB 4.11Å; I279-F283 HydrophobicContact CG2-CD2 3.75Å; I279-F283 HydrophobicContact CG2-CE2 3.68Å; I279-F283 VanDerWaalsContact O-CD2 3.26Å; I279-F283 WeakPolarHBondContact O-CD2 3.45Å; I279-F283 PolarHBondContact O-N 3.44Å; L280-F283 PolarHBondContact O-N 3.44Å; F283-R286 PolarHBondContact O-N 3.01Å; F283-F287 WeakPolarHBondContact O-CB 3.28Å; F283-F287 PolarHBondContact O-N 3.45Å; F283-L291 HydrophobicContact CD1-CD1 4.38Å; F283-E296 WeakPolarHBondContact CE1-O 3.41Å; F283-A299 HydrophobicContact CE1-CB 4.22Å; F283-A299 HydrophobicContact CZ-CB 3.76Å; F283-L300 HydrophobicContact CB-CD1 4.22Å; F283-L300 HydrophobicContact CD1-CB 4.12Å; F283-L300 HydrophobicContact CD1-CD1 4.32Å; F283-L300 HydrophobicContact CD2-CD1 4.25Å; F283-L300 HydrophobicContact CE1-CB 4.04Å; F283-L300 HydrophobicContact CG-CD1 4.01Å; F283-L300 HydrophobicContact CZ-CB 4.48Å; F283-V303 HydrophobicContact CE2-CG2 3.94Å
284Q70.9Confident64.4Low34 Ų3472.7 Ų72.716%0.15939%0.389CS..Hα-helixtrans-62.4-50.5177.1-1726545.900111.3S234 I237 L280 N281 S282 R286 F287 D288S234-Q284 PolarHBondContact OG-NE2 2.88Å; I237-Q284 HydrophobicContact CD1-CB 4.37Å; I237-Q284 HydrophobicContact CG2-CB 4.1Å; L280-Q284 WeakPolarHBondContact O-CB 3.43Å; L280-Q284 PolarHBondContact O-N 3.46Å; N281-Q284 PolarHBondContact O-N 3.15Å; S282-Q284 VanDerWaalsContact C-N 3.35Å; Q284-R286 VanDerWaalsContact C-N 3.32Å; Q284-R286 PolarHBondContact O-N 3.14Å; Q284-F287 CarbonylContact O-C 3.59Å; Q284-F287 WeakPolarHBondContact O-CA 3.3Å; Q284-F287 WeakPolarHBondContact O-CB 3.29Å; Q284-F287 PolarHBondContact O-N 2.87Å; Q284-D288 PolarHBondContact NE2-OD1 3.12Å; Q284-D288 PolarHBondContact NE2-OD2 3.24Å; Q284-D288 PolarHBondContact O-N 3.27Å
285A72.6Confident63.1Low62 Ų6275.8 Ų75.851%0.51240%0.395SS..Hα-helixtrans-61-42.3179.500000111.9N281 F287 S289N281-A285 WeakPolarHBondContact O-CB 3.3Å; N281-A285 PolarHBondContact O-N 2.63Å; A285-F287 VanDerWaalsContact C-N 3.28Å; A285-F287 PolarHBondContact O-N 2.94Å; A285-S289 PolarHBondContact O-N 3.36Å; A285-S289 VanDerWaalsContact O-N 3.12Å; A285-S289 PolarHBondContact O-OG 3.23Å
286R63.8Low62.4Low134 Ų13474.4 Ų74.451%0.50638%0.381SS..Hα-helixtrans-67.2-32.7175-67.7-179.184.1-160.9-3111.3S282 F283 Q284 S289 G290 L291 E296S282-R286 WeakPolarHBondContact O-CB 3.34Å; S282-R286 WeakPolarHBondContact O-CG 3.42Å; S282-R286 PolarHBondContact O-N 3.47Å; F283-R286 PolarHBondContact O-N 3.01Å; Q284-R286 VanDerWaalsContact C-N 3.32Å; Q284-R286 PolarHBondContact O-N 3.14Å; R286-S289 WeakPolarHBondContact CA-OG 3.4Å; R286-S289 PolarHBondContact O-N 2.97Å; R286-S289 PolarHBondContact O-OG 3.04Å; R286-G290 PolarHBondContact O-N 2.8Å; R286-L291 HydrophobicContact CB-CD1 4.29Å; R286-L291 HydrophobicContact CB-CG 4.36Å; R286-L291 PolarHBondContact O-N 3.34Å; R286-E296 IonicContact CZ-OE1 3.31Å; R286-E296 IonicContact NE-OE1 3.8Å; R286-E296 IonicContact NH1-OE1 3.76Å; R286-E296 PolarHBondContact NH1-OE1 3.44Å; R286-E296 IonicContact NH2-OE1 3.21Å; R286-E296 PolarHBondContact NH2-OE1 3.44Å
287F63Low61.6Low23 Ų2375.3 Ų75.310%0.10139%0.386CS..Hα-helixtrans-68.9-48.5177.8-174.3-91.2000111.4E230 T233 F283 Q284 A285 S289 G290 L291E230-F287 VanDerWaalsContact CA-CZ 3.5Å; E230-F287 HydrophobicContact CB-CZ 4.12Å; E230-F287 HydrophobicContact CG-CZ 4.35Å; E230-F287 VanDerWaalsContact O-CE1 3.31Å; E230-F287 WeakPolarHBondContact O-CE1 3.47Å; E230-F287 WeakPolarHBondContact O-CZ 3.07Å; T233-F287 HydrophobicContact CG2-CD2 3.35Å; T233-F287 HydrophobicContact CG2-CE2 3.78Å; T233-F287 HydrophobicContact CG2-CG 3.96Å; F283-F287 WeakPolarHBondContact O-CB 3.28Å; F283-F287 PolarHBondContact O-N 3.45Å; Q284-F287 CarbonylContact O-C 3.59Å; Q284-F287 WeakPolarHBondContact O-CA 3.3Å; Q284-F287 WeakPolarHBondContact O-CB 3.29Å; Q284-F287 PolarHBondContact O-N 2.87Å; A285-F287 VanDerWaalsContact C-N 3.28Å; A285-F287 PolarHBondContact O-N 2.94Å; F287-S289 PolarHBondContact O-N 2.8Å; F287-G290 WeakPolarHBondContact O-CA 3.26Å; F287-G290 PolarHBondContact O-N 3.37Å; F287-L291 VanDerWaalsContact CA-CD1 3.48Å; F287-L291 HydrophobicContact CB-CB 4.32Å; F287-L291 HydrophobicContact CB-CD1 3.54Å; F287-L291 HydrophobicContact CB-CG 4.28Å; F287-L291 HydrophobicContact CD2-CB 3.59Å; F287-L291 HydrophobicContact CD2-CD1 3.88Å; F287-L291 HydrophobicContact CD2-CG 4.29Å; F287-L291 HydrophobicContact CE2-CB 4.21Å; F287-L291 HydrophobicContact CG-CB 4.35Å; F287-L291 HydrophobicContact CG-CD1 4.21Å; F287-L291 PolarHBondContact O-N 3Å
288D65.3Low60.4Low111 Ų11177.5 Ų77.559%0.59440%0.396SS*.Hα-helixtrans-60.3-26.6176.2-63-21.2000111.3Q284 G290Q284-D288 PolarHBondContact NE2-OD1 3.12Å; Q284-D288 PolarHBondContact NE2-OD2 3.24Å; Q284-D288 PolarHBondContact O-N 3.27Å; D288-G290 VanDerWaalsContact C-N 3.34Å
289S65.6Low59.4Low100 Ų10076 Ų7670%0.69939%0.388SS*.THydrogen-bonded Turntrans-84.12.4171.875.20000115.5A285 R286 F287A285-S289 PolarHBondContact O-N 3.36Å; A285-S289 VanDerWaalsContact O-N 3.12Å; A285-S289 PolarHBondContact O-OG 3.23Å; R286-S289 WeakPolarHBondContact CA-OG 3.4Å; R286-S289 PolarHBondContact O-N 2.97Å; R286-S289 PolarHBondContact O-OG 3.04Å; F287-S289 PolarHBondContact O-N 2.8Å
290G49.8Very low59.1Low39 Ų3973 Ų7340%0.40237%0.373SS..THydrogen-bonded Turntrans9957174.300000114.8R286 F287 D288 R292R286-G290 PolarHBondContact O-N 2.8Å; F287-G290 WeakPolarHBondContact O-CA 3.26Å; F287-G290 PolarHBondContact O-N 3.37Å; D288-G290 VanDerWaalsContact C-N 3.34Å; G290-R292 WeakPolarHBondContact O-CG 3.49Å; G290-R292 PolarHBondContact O-N 3.15Å; G290-R292 VanDerWaalsContact O-N 3.11Å
291L51.7Low58.3Low33 Ų3373 Ų7317%0.17337%0.373CS..  trans-52.6115.3172.6-102.9164.4000111.3F283 R286 F287 E296F283-L291 HydrophobicContact CD1-CD1 4.38Å; R286-L291 HydrophobicContact CB-CD1 4.29Å; R286-L291 HydrophobicContact CB-CG 4.36Å; R286-L291 PolarHBondContact O-N 3.34Å; F287-L291 VanDerWaalsContact CA-CD1 3.48Å; F287-L291 HydrophobicContact CB-CB 4.32Å; F287-L291 HydrophobicContact CB-CD1 3.54Å; F287-L291 HydrophobicContact CB-CG 4.28Å; F287-L291 HydrophobicContact CD2-CB 3.59Å; F287-L291 HydrophobicContact CD2-CD1 3.88Å; F287-L291 HydrophobicContact CD2-CG 4.29Å; F287-L291 HydrophobicContact CE2-CB 4.21Å; F287-L291 HydrophobicContact CG-CB 4.35Å; F287-L291 HydrophobicContact CG-CD1 4.21Å; F287-L291 PolarHBondContact O-N 3Å; L291-E296 HydrophobicContact CD2-CB 3.23Å; L291-E296 HydrophobicContact CD2-CG 3.8Å; L291-E296 WeakPolarHBondContact CD2-OE2 3.46Å
292R52Low57Low229 Ų22974.3 Ų74.386%0.86437%0.372SS*.  trans-126.9-2.6-174.8-77.1175-172.8-164.44.3114.7G290G290-R292 WeakPolarHBondContact O-CG 3.49Å; G290-R292 PolarHBondContact O-N 3.15Å; G290-R292 VanDerWaalsContact O-N 3.11Å
293S50.1Low56.2Low48 Ų4872 Ų7234%0.33636%0.355SS..  trans-101.1134.9-177930000113.2K295 E296 H297S293-K295 PolarHBondContact O-N 3.42Å; S293-E296 VanDerWaalsContact CB-OE2 3.3Å; S293-E296 WeakPolarHBondContact CB-OE2 3.48Å; S293-E296 PolarHBondContact O-N 2.9Å; S293-E296 VanDerWaalsContact OG-CD 3.22Å; S293-E296 VanDerWaalsContact OG-CG 3.31Å; S293-E296 WeakPolarHBondContact OG-CG 3.15Å; S293-E296 PolarHBondContact OG-N 3.34Å; S293-E296 PolarHBondContact OG-OE2 3.05Å; S293-H297 PolarHBondContact O-N 3.34Å
294R43.9Very low55.7Low200 Ų20070.9 Ų70.976%0.75535%0.35SS*.Hα-helixtrans-57.9-29.5175-173.3177.6178.2-176.90112.7H297 H298R294-H297 PolarHBondContact O-N 3.04Å; R294-H298 PolarHBondContact O-CD2 3.45Å; R294-H298 VanDerWaalsContact O-CD2 3.23Å; R294-H298 PolarHBondContact O-N 2.64Å
295K49.2Very low54.8Low139 Ų13969.2 Ų69.260%0.60434%0.343SS*.Hα-helixtrans-66.8-41.3179.1-75.6175.1157.4-149.80111.9S293 H298 A299 Y381S293-K295 PolarHBondContact O-N 3.42Å; K295-H298 PolarHBondContact O-N 2.8Å; K295-A299 PolarHBondContact O-N 2.95Å; K295-Y381 WeakPolarHBondContact CD-OH 3.4Å; K295-Y381 WeakPolarHBondContact CE-OH 3.22Å; K295-Y381 PolarHBondContact NZ-OH 3.04Å; K295-Y381 VanDerWaalsContact NZ-OH 3.14Å
296E52.2Low53.8Low39 Ų3968.7 Ų68.718%0.18233%0.331CS..Hα-helixtrans-71.9-31.4178.6-69.1159.8141.700112.2F283 R286 L291 S293 A299 L300F283-E296 WeakPolarHBondContact CE1-O 3.41Å; R286-E296 IonicContact CZ-OE1 3.31Å; R286-E296 IonicContact NE-OE1 3.8Å; R286-E296 IonicContact NH1-OE1 3.76Å; R286-E296 PolarHBondContact NH1-OE1 3.44Å; R286-E296 IonicContact NH2-OE1 3.21Å; R286-E296 PolarHBondContact NH2-OE1 3.44Å; L291-E296 HydrophobicContact CD2-CB 3.23Å; L291-E296 HydrophobicContact CD2-CG 3.8Å; L291-E296 WeakPolarHBondContact CD2-OE2 3.46Å; S293-E296 VanDerWaalsContact CB-OE2 3.3Å; S293-E296 WeakPolarHBondContact CB-OE2 3.48Å; S293-E296 PolarHBondContact O-N 2.9Å; S293-E296 VanDerWaalsContact OG-CD 3.22Å; S293-E296 VanDerWaalsContact OG-CG 3.31Å; S293-E296 WeakPolarHBondContact OG-CG 3.15Å; S293-E296 PolarHBondContact OG-N 3.34Å; S293-E296 PolarHBondContact OG-OE2 3.05Å; E296-A299 PolarHBondContact O-N 2.93Å; E296-L300 PolarHBondContact O-N 2.85Å
297H52.5Low53.5Low45 Ų4562.3 Ų62.321%0.20831%0.307CS..Hα-helixtrans-65.9-39.9172.4-165.878.7000112.7S293 R294 L300 S301 G354S293-H297 PolarHBondContact O-N 3.34Å; R294-H297 PolarHBondContact O-N 3.04Å; H297-L300 PolarHBondContact O-N 3.35Å; H297-S301 PolarHBondContact O-N 3.02Å; H297-S301 PolarHBondContact O-OG 2.79Å; H297-G354 PolarHBondContact NE2-O 3.49Å
298H48.8Very low53.2Low80 Ų8061.2 Ų61.237%0.3730%0.302SS..Hα-helixtrans-66.2-40.3172-82-70.5000111.9R294 K295 L300 S301 Y302 D359R294-H298 PolarHBondContact O-CD2 3.45Å; R294-H298 VanDerWaalsContact O-CD2 3.23Å; R294-H298 PolarHBondContact O-N 2.64Å; K295-H298 PolarHBondContact O-N 2.8Å; H298-L300 VanDerWaalsContact C-N 3.35Å; H298-L300 PolarHBondContact O-N 3.37Å; H298-S301 WeakPolarHBondContact O-CB 3.4Å; H298-S301 PolarHBondContact O-N 2.81Å; H298-S301 VanDerWaalsContact O-N 3.14Å; H298-Y302 PolarHBondContact O-N 3.42Å; H298-D359 IonicContact CE1-OD2 3.23Å; H298-D359 IonicContact ND1-OD2 2.75Å; H298-D359 PolarHBondContact ND1-OD2 2.95Å
299A51.6Low52.6Low42 Ų4256.3 Ų56.335%0.34728%0.276SS..Hα-helixtrans-62.4-41.2175.500000112F283 K295 E296 S301 Y302 V303F283-A299 HydrophobicContact CE1-CB 4.22Å; F283-A299 HydrophobicContact CZ-CB 3.76Å; K295-A299 PolarHBondContact O-N 2.95Å; E296-A299 PolarHBondContact O-N 2.93Å; A299-S301 VanDerWaalsContact C-N 3.32Å; A299-S301 PolarHBondContact O-N 3.41Å; A299-Y302 WeakPolarHBondContact O-CB 3.37Å; A299-Y302 PolarHBondContact O-N 3.29Å; A299-V303 WeakPolarHBondContact O-CG2 3.37Å; A299-V303 PolarHBondContact O-N 3Å
300L57.8Low52.3Low2 Ų252.6 Ų52.61%0.0125%0.248CC..Hα-helixtrans-64.1-37172.9-178.763.3000112.2T233 L236 I237 L280 F283 E296 H297 H298 Y302 V303 A304T233-L300 HydrophobicContact CG2-CD2 3.5Å; T233-L300 VanDerWaalsContact CG2-CD2 3.5Å; L236-L300 HydrophobicContact CD2-CD2 4.1Å; L236-L300 HydrophobicContact CD2-CG 4.2Å; I237-L300 HydrophobicContact CD1-CD2 4.31Å; I237-L300 HydrophobicContact CG1-CD1 3.99Å; I237-L300 HydrophobicContact CG1-CD2 4.08Å; L280-L300 HydrophobicContact CD2-CD1 4.02Å; F283-L300 HydrophobicContact CB-CD1 4.22Å; F283-L300 HydrophobicContact CD1-CB 4.12Å; F283-L300 HydrophobicContact CD1-CD1 4.32Å; F283-L300 HydrophobicContact CD2-CD1 4.25Å; F283-L300 HydrophobicContact CE1-CB 4.04Å; F283-L300 HydrophobicContact CG-CD1 4.01Å; F283-L300 HydrophobicContact CZ-CB 4.48Å; E296-L300 PolarHBondContact O-N 2.85Å; H297-L300 PolarHBondContact O-N 3.35Å; H298-L300 VanDerWaalsContact C-N 3.35Å; H298-L300 PolarHBondContact O-N 3.37Å; L300-Y302 VanDerWaalsContact C-N 3.32Å; L300-Y302 PolarHBondContact O-N 3Å; L300-V303 PolarHBondContact O-N 3.37Å; L300-A304 WeakPolarHBondContact O-CB 3.39Å; L300-A304 PolarHBondContact O-N 3.06Å
301S50.9Low52.8Low1 Ų150.7 Ų50.71%0.00723%0.228CC..Hα-helixtrans-63.5-38.7175.7-57.20000111.9H297 H298 A299 A304 S305 A355H297-S301 PolarHBondContact O-N 3.02Å; H297-S301 PolarHBondContact O-OG 2.79Å; H298-S301 WeakPolarHBondContact O-CB 3.4Å; H298-S301 PolarHBondContact O-N 2.81Å; H298-S301 VanDerWaalsContact O-N 3.14Å; A299-S301 VanDerWaalsContact C-N 3.32Å; A299-S301 PolarHBondContact O-N 3.41Å; S301-A304 WeakPolarHBondContact O-CB 3.11Å; S301-A304 PolarHBondContact O-N 3.48Å; S301-S305 PolarHBondContact O-N 3.43Å; S301-S305 VanDerWaalsContact O-N 3.08Å; S301-A355 WeakPolarHBondContact OG-CA 3.42Å
302Y49.9Very low53Low114 Ų11449.8 Ų49.845%0.44722%0.223SC..Hα-helixtrans-63.9-48.7173.8-177.3-98.2000111.8H298 A299 L300 A304 S305 L306 C363H298-Y302 PolarHBondContact O-N 3.42Å; A299-Y302 WeakPolarHBondContact O-CB 3.37Å; A299-Y302 PolarHBondContact O-N 3.29Å; L300-Y302 VanDerWaalsContact C-N 3.32Å; L300-Y302 PolarHBondContact O-N 3Å; Y302-A304 VanDerWaalsContact C-N 3.31Å; Y302-A304 PolarHBondContact O-N 3.49Å; Y302-S305 PolarHBondContact O-N 3.08Å; Y302-S305 VanDerWaalsContact O-N 3.14Å; Y302-L306 HydrophobicContact CD1-CD1 3.91Å; Y302-L306 HydrophobicContact CE1-CD1 3.39Å; Y302-L306 HydrophobicContact CE1-CG 4.22Å; Y302-L306 PolarHBondContact O-N 3.5Å; Y302-L306 VanDerWaalsContact O-N 3.11Å; Y302-C363 WeakPolarHBondContact CD2-SG 3.05Å; Y302-C363 WeakPolarHBondContact CE2-SG 3.5Å
303V53.7Low53.2Low13 Ų1341.5 Ų41.58%0.07920%0.196CC..Hα-helixtrans-59.3-43.5175.5173.60000111.1F276 I279 L280 F283 A299 L300 S305 L306 V307F276-V303 HydrophobicContact CD1-CG1 4.16Å; F276-V303 HydrophobicContact CE1-CG1 4.47Å; I279-V303 HydrophobicContact CG2-CG1 4.03Å; I279-V303 HydrophobicContact CG2-CG2 3.77Å; L280-V303 HydrophobicContact CD2-CG1 3.72Å; L280-V303 HydrophobicContact CG-CG1 4.21Å; F283-V303 HydrophobicContact CE2-CG2 3.94Å; A299-V303 WeakPolarHBondContact O-CG2 3.37Å; A299-V303 PolarHBondContact O-N 3Å; L300-V303 PolarHBondContact O-N 3.37Å; V303-S305 VanDerWaalsContact C-N 3.27Å; V303-S305 PolarHBondContact O-N 3.01Å; V303-L306 PolarHBondContact O-N 2.82Å; V303-V307 HydrophobicContact CG1-CG2 4.42Å; V303-V307 WeakPolarHBondContact O-CG2 3.02Å; V303-V307 PolarHBondContact O-N 3.49Å
304A55.4Low53.6Low0 Ų039.4 Ų39.40%018%0.181CC..Hα-helixtrans-56.2-43.4176.100000111.6L236 L240 L300 S301 Y302 V307 V308 A355L236-A304 HydrophobicContact CD1-CB 4.46Å; L240-A304 HydrophobicContact CD1-CB 3.62Å; L240-A304 HydrophobicContact CD2-CB 4Å; L240-A304 HydrophobicContact CG-CB 4.41Å; L300-A304 WeakPolarHBondContact O-CB 3.39Å; L300-A304 PolarHBondContact O-N 3.06Å; S301-A304 WeakPolarHBondContact O-CB 3.11Å; S301-A304 PolarHBondContact O-N 3.48Å; Y302-A304 VanDerWaalsContact C-N 3.31Å; Y302-A304 PolarHBondContact O-N 3.49Å; A304-V307 PolarHBondContact O-N 2.79Å; A304-V308 VanDerWaalsContact O-CG2 3.3Å; A304-V308 WeakPolarHBondContact O-CG2 3.35Å; A304-V308 PolarHBondContact O-N 3.38Å; A304-A355 HydrophobicContact CB-CB 4.41Å
305S50.3Low54.5Low0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-66.9-39.5179.2-170.20000113.7S301 Y302 V303 V308 N309 V360 C363S301-S305 PolarHBondContact O-N 3.43Å; S301-S305 VanDerWaalsContact O-N 3.08Å; Y302-S305 PolarHBondContact O-N 3.08Å; Y302-S305 VanDerWaalsContact O-N 3.14Å; V303-S305 VanDerWaalsContact C-N 3.27Å; V303-S305 PolarHBondContact O-N 3.01Å; S305-V308 PolarHBondContact O-N 3.21Å; S305-N309 PolarHBondContact O-N 3.16Å; S305-N309 PolarHBondContact O-ND2 3.21Å; S305-V360 WeakPolarHBondContact OG-CA 3.38Å; S305-V360 WeakPolarHBondContact OG-CG1 3.43Å; S305-V360 PolarHBondContact OG-O 2.98Å; S305-C363 VanDerWaalsContact CB-CB 3.47Å; S305-C363 WeakPolarHBondContact OG-CB 3.1Å
306L52.3Low54.9Low50 Ų5029.6 Ų29.626%0.26214%0.141SC..Hα-helixtrans-64.4-44.4177.9-71.8174.7000110.8F276 Y302 V303 V308 N309 M310F276-L306 HydrophobicContact CE1-CB 3.8Å; F276-L306 HydrophobicContact CE1-CD1 4.04Å; F276-L306 HydrophobicContact CZ-CB 3.89Å; F276-L306 HydrophobicContact CZ-CD1 3.99Å; Y302-L306 HydrophobicContact CD1-CD1 3.91Å; Y302-L306 HydrophobicContact CE1-CD1 3.39Å; Y302-L306 HydrophobicContact CE1-CG 4.22Å; Y302-L306 PolarHBondContact O-N 3.5Å; Y302-L306 VanDerWaalsContact O-N 3.11Å; V303-L306 PolarHBondContact O-N 2.82Å; L306-V308 PolarHBondContact O-N 2.98Å; L306-N309 PolarHBondContact O-N 3.38Å; L306-M310 WeakPolarHBondContact O-CG 3.23Å; L306-M310 PolarHBondContact O-N 3.01Å
307V57.9Low55.2Low0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-60.2-45.8175.8174.50000111.1L240 E243 L244 F276 V303 A304 N309 M310 T311L240-V307 HydrophobicContact CB-CG1 4.37Å; L240-V307 HydrophobicContact CD2-CB 4.09Å; L240-V307 HydrophobicContact CD2-CG1 3.99Å; E243-V307 HydrophobicContact CB-CG1 4.43Å; L244-V307 HydrophobicContact CD2-CG1 3.93Å; L244-V307 HydrophobicContact CD2-CG2 4.13Å; L244-V307 HydrophobicContact CG-CG1 3.99Å; L244-V307 HydrophobicContact CG-CG2 4.44Å; F276-V307 HydrophobicContact CB-CG2 4.49Å; F276-V307 HydrophobicContact CD1-CG2 3.82Å; F276-V307 HydrophobicContact CE1-CG2 4.38Å; F276-V307 HydrophobicContact CG-CG2 4.32Å; V303-V307 HydrophobicContact CG1-CG2 4.42Å; V303-V307 WeakPolarHBondContact O-CG2 3.02Å; V303-V307 PolarHBondContact O-N 3.49Å; A304-V307 PolarHBondContact O-N 2.79Å; V307-N309 PolarHBondContact O-N 2.98Å; V307-M310 HydrophobicContact CG2-CE 4.22Å; V307-M310 PolarHBondContact O-N 2.9Å; V307-T311 PolarHBondContact O-N 3.49Å; V307-T311 PolarHBondContact O-OG1 3.21Å
308V56.5Low55.5Low1 Ų126.4 Ų26.41%0.00613%0.127CC..Hα-helixtrans-59.5-44.8177.3166.80000112A304 S305 L306 T311 L312 L346 F347 C350A304-V308 VanDerWaalsContact O-CG2 3.3Å; A304-V308 WeakPolarHBondContact O-CG2 3.35Å; A304-V308 PolarHBondContact O-N 3.38Å; S305-V308 PolarHBondContact O-N 3.21Å; L306-V308 PolarHBondContact O-N 2.98Å; V308-T311 PolarHBondContact O-N 3.28Å; V308-L312 HydrophobicContact CG1-CD1 4.03Å; V308-L312 VanDerWaalsContact O-CG 3.3Å; V308-L312 WeakPolarHBondContact O-CG 3.33Å; V308-L312 PolarHBondContact O-N 3.5Å; V308-L346 HydrophobicContact CG1-CB 3.89Å; V308-L346 HydrophobicContact CG1-CD1 4.31Å; V308-L346 HydrophobicContact CG2-CB 4.15Å; V308-L346 HydrophobicContact CG2-CD2 4.31Å; V308-F347 HydrophobicContact CG1-CD2 4.04Å; V308-F347 HydrophobicContact CG1-CE2 3.83Å; V308-C350 WeakPolarHBondContact CG2-SG 3.31Å
309N52.7Low55.9Low8 Ų823.2 Ų23.24%0.04311%0.114CC..Hα-helixtrans-64.9-43.5179.4-77.6-32.2000111.8S305 L306 V307 T311 L312 I313S305-N309 PolarHBondContact O-N 3.16Å; S305-N309 PolarHBondContact O-ND2 3.21Å; L306-N309 PolarHBondContact O-N 3.38Å; V307-N309 PolarHBondContact O-N 2.98Å; N309-T311 PolarHBondContact O-N 2.79Å; N309-L312 PolarHBondContact O-N 3.5Å; N309-I313 WeakPolarHBondContact O-CG1 3.44Å; N309-I313 PolarHBondContact O-N 3.4Å
310M58.8Low56Low21 Ų2125.6 Ų25.610%0.10312%0.119CC..Hα-helixtrans-58.3-47.7174.4-73.8-169.3-56.100111.6L244 L247 L269 V272 F276 L306 V307 L312 I313 A314L244-M310 HydrophobicContact CD2-CE 4.05Å; L247-M310 HydrophobicContact CD1-CB 4.25Å; L269-M310 HydrophobicContact CD1-CB 4.28Å; L269-M310 HydrophobicContact CD1-CG 4.33Å; L269-M310 HydrophobicContact CD2-CB 4.24Å; L269-M310 HydrophobicContact CG-CB 4.43Å; L269-M310 HydrophobicContact CG-CG 4.34Å; L269-M310 HydrophobicContact CG-SD 4.44Å; V272-M310 HydrophobicContact CG2-SD 4.28Å; F276-M310 HydrophobicContact CD1-CE 4.3Å; F276-M310 HydrophobicContact CD2-CE 3.44Å; F276-M310 VanDerWaalsContact CD2-CE 3.44Å; F276-M310 HydrophobicContact CD2-SD 4.08Å; F276-M310 HydrophobicContact CE1-CE 4.38Å; F276-M310 HydrophobicContact CE2-CE 3.54Å; F276-M310 HydrophobicContact CE2-SD 3.78Å; F276-M310 HydrophobicContact CG-CE 3.85Å; F276-M310 HydrophobicContact CZ-CE 4.02Å; F276-M310 HydrophobicContact CZ-SD 4.47Å; L306-M310 WeakPolarHBondContact O-CG 3.23Å; L306-M310 PolarHBondContact O-N 3.01Å; V307-M310 HydrophobicContact CG2-CE 4.22Å; V307-M310 PolarHBondContact O-N 2.9Å; M310-L312 VanDerWaalsContact C-N 3.28Å; M310-L312 PolarHBondContact O-N 3.23Å; M310-I313 PolarHBondContact O-N 3.37Å; M310-A314 PolarHBondContact O-N 3.5Å
311T59.7Low56.1Low0 Ų025.8 Ų25.80%012%0.121CC..Hα-helixtrans-62.9-35.1179.4-51.70000112.5E243 W246 L247 V307 V308 N309 R315E243-T311 HydrophobicContact CB-CG2 4.39Å; E243-T311 VanDerWaalsContact OE2-CG2 3.22Å; E243-T311 WeakPolarHBondContact OE2-CG2 3.03Å; W246-T311 HydrophobicContact CE3-CG2 3.76Å; W246-T311 HydrophobicContact CZ3-CG2 3.97Å; L247-T311 VanDerWaalsContact CD1-OG1 3.28Å; L247-T311 WeakPolarHBondContact CD1-OG1 3.26Å; L247-T311 HydrophobicContact CG-CG2 4.41Å; V307-T311 PolarHBondContact O-N 3.49Å; V307-T311 PolarHBondContact O-OG1 3.21Å; V308-T311 PolarHBondContact O-N 3.28Å; N309-T311 PolarHBondContact O-N 2.79Å; T311-R315 HydrophobicContact CG2-CG 4.46Å; T311-R315 WeakPolarHBondContact O-CB 3.03Å; T311-R315 VanDerWaalsContact O-CG 3.3Å; T311-R315 WeakPolarHBondContact O-CG 3.48Å; T311-R315 PolarHBondContact O-N 2.86Å
312L56.6Low56.2Low13 Ų1328.5 Ų28.57%0.06814%0.139CC..Hα-helixtrans-68-42.7175.3-74.1173.7000113V308 N309 M310 A314 R315 R316 W342 T343 L346 F347V308-L312 HydrophobicContact CG1-CD1 4.03Å; V308-L312 VanDerWaalsContact O-CG 3.3Å; V308-L312 WeakPolarHBondContact O-CG 3.33Å; V308-L312 PolarHBondContact O-N 3.5Å; N309-L312 PolarHBondContact O-N 3.5Å; M310-L312 VanDerWaalsContact C-N 3.28Å; M310-L312 PolarHBondContact O-N 3.23Å; L312-A314 VanDerWaalsContact C-N 3.35Å; L312-R315 PolarHBondContact O-N 3.33Å; L312-R316 WeakPolarHBondContact O-CG 3.35Å; L312-R316 PolarHBondContact O-N 2.93Å; L312-W342 HydrophobicContact CD2-CB 4.45Å; L312-T343 HydrophobicContact CD1-CG2 3.96Å; L312-T343 WeakPolarHBondContact CD1-OG1 2.69Å; L312-T343 WeakPolarHBondContact CD2-OG1 2.66Å; L312-L346 HydrophobicContact CD2-CD1 3.93Å; L312-L346 HydrophobicContact CG-CD1 4.06Å; L312-F347 HydrophobicContact CD1-CE2 4.35Å
313I57.1Low56.3Low56 Ų5623.9 Ų23.929%0.28712%0.122SC..Hα-helixtrans-61.3-46.8176.3-68.2167.1000109.9W262 L269 N309 M310 R316 G317W262-I313 HydrophobicContact CZ3-CG2 4.11Å; L269-I313 HydrophobicContact CD1-CB 4.36Å; L269-I313 HydrophobicContact CD1-CG2 4.16Å; N309-I313 WeakPolarHBondContact O-CG1 3.44Å; N309-I313 PolarHBondContact O-N 3.4Å; M310-I313 PolarHBondContact O-N 3.37Å; I313-R316 WeakPolarHBondContact O-CB 3.47Å; I313-R316 PolarHBondContact O-N 2.66Å; I313-G317 PolarHBondContact O-N 2.75Å
314A58.5Low56.4Low3 Ų331.2 Ų31.23%0.02515%0.148CC..Hα-helixtrans-63-43.9177.800000113.5W246 L247 I251 M310 L312 R316 G317 V318W246-A314 HydrophobicContact CZ3-CB 4.11Å; L247-A314 HydrophobicContact CD2-CB 3.14Å; I251-A314 HydrophobicContact CD1-CB 3.34Å; I251-A314 HydrophobicContact CG1-CB 3.85Å; M310-A314 PolarHBondContact O-N 3.5Å; L312-A314 VanDerWaalsContact C-N 3.35Å; A314-R316 VanDerWaalsContact C-N 3.26Å; A314-R316 PolarHBondContact O-N 3.08Å; A314-G317 PolarHBondContact O-N 2.85Å; A314-G317 VanDerWaalsContact O-N 3.11Å; A314-V318 WeakPolarHBondContact O-CG2 3.33Å; A314-V318 PolarHBondContact O-N 3.43Å
315R61Low56.6Low20 Ų2036.1 Ų36.18%0.07517%0.174CC..Hα-helixtrans-60-37.5174.8-78.5-179.8177.7160.16.8111.7E243 W246 T311 L312 A319 W342E243-R315 IonicContact OE1-NH2 3.97Å; E243-R315 PolarHBondContact OE1-NH2 2.89Å; E243-R315 IonicContact OE2-CZ 3.8Å; E243-R315 VanDerWaalsContact OE2-CZ 3.23Å; E243-R315 IonicContact OE2-NH1 3.32Å; E243-R315 PolarHBondContact OE2-NH1 3.23Å; E243-R315 IonicContact OE2-NH2 3.24Å; E243-R315 PolarHBondContact OE2-NH2 3.34Å; W246-R315 HydrophobicContact CE3-CG 4.36Å; W246-R315 HydrophobicContact CH2-CB 4.13Å; W246-R315 HydrophobicContact CH2-CG 3.11Å; W246-R315 HydrophobicContact CZ2-CG 3.71Å; W246-R315 HydrophobicContact CZ3-CG 3.47Å; W246-R315 VanDerWaalsContact CZ3-CG 3.47Å; T311-R315 HydrophobicContact CG2-CG 4.46Å; T311-R315 WeakPolarHBondContact O-CB 3.03Å; T311-R315 VanDerWaalsContact O-CG 3.3Å; T311-R315 WeakPolarHBondContact O-CG 3.48Å; T311-R315 PolarHBondContact O-N 2.86Å; L312-R315 PolarHBondContact O-N 3.33Å; R315-A319 WeakPolarHBondContact O-CB 3.23Å; R315-A319 PolarHBondContact O-N 2.93Å; R315-W342 VanDerWaalsContact NH1-CD2 3.32Å
316R58.5Low56.4Low114 Ų11442 Ų4243%0.4321%0.206SC..Hα-helixtrans-63.4-44.9172.2-74.3173.4177.3-178.10.4111.7L312 I313 A314 A319 M320 C339L312-R316 WeakPolarHBondContact O-CG 3.35Å; L312-R316 PolarHBondContact O-N 2.93Å; I313-R316 WeakPolarHBondContact O-CB 3.47Å; I313-R316 PolarHBondContact O-N 2.66Å; A314-R316 VanDerWaalsContact C-N 3.26Å; A314-R316 PolarHBondContact O-N 3.08Å; R316-A319 PolarHBondContact O-N 3.08Å; R316-M320 WeakPolarHBondContact O-CB 3.45Å; R316-M320 VanDerWaalsContact O-CG 3.29Å; R316-M320 WeakPolarHBondContact O-CG 3.43Å; R316-M320 PolarHBondContact O-N 3.26Å; R316-C339 HydrophobicContact CG-CB 4.39Å; R316-C339 WeakPolarHBondContact CG-SG 3.39Å
317G58.9Low55.9Low0 Ų047.7 Ų47.70%023%0.228CC..Hα-helixtrans-58.4-53.2176.200000112.4I313 A314 A319 M320 V321I313-G317 PolarHBondContact O-N 2.75Å; A314-G317 PolarHBondContact O-N 2.85Å; A314-G317 VanDerWaalsContact O-N 3.11Å; G317-A319 VanDerWaalsContact C-N 3.28Å; G317-A319 PolarHBondContact O-N 3.08Å; G317-M320 WeakPolarHBondContact O-CB 3.46Å; G317-M320 PolarHBondContact O-N 2.89Å; G317-V321 WeakPolarHBondContact O-CG2 3.33Å; G317-V321 PolarHBondContact O-N 3.08Å
318V58.9Low55.2Low16 Ų1651.9 Ų51.910%0.09726%0.256CS..Hα-helixtrans-55.9-45175.7168.60000111.4W246 F254 M258 A314 M320 V321 C322W246-V318 HydrophobicContact CH2-CG2 4.38Å; F254-V318 HydrophobicContact CB-CG2 4.31Å; F254-V318 HydrophobicContact CD1-CG1 4.31Å; F254-V318 HydrophobicContact CD2-CB 4.13Å; F254-V318 HydrophobicContact CD2-CG1 3.45Å; F254-V318 VanDerWaalsContact CD2-CG1 3.45Å; F254-V318 HydrophobicContact CD2-CG2 3.7Å; F254-V318 HydrophobicContact CE1-CG1 4.25Å; F254-V318 HydrophobicContact CE2-CG1 3.4Å; F254-V318 VanDerWaalsContact CE2-CG1 3.4Å; F254-V318 HydrophobicContact CE2-CG2 4.39Å; F254-V318 HydrophobicContact CG-CB 4.45Å; F254-V318 HydrophobicContact CG-CG1 3.95Å; F254-V318 HydrophobicContact CG-CG2 4.18Å; F254-V318 HydrophobicContact CZ-CG1 3.82Å; M258-V318 HydrophobicContact CE-CG2 4.13Å; A314-V318 WeakPolarHBondContact O-CG2 3.33Å; A314-V318 PolarHBondContact O-N 3.43Å; V318-M320 PolarHBondContact O-N 3.47Å; V318-V321 WeakPolarHBondContact O-CB 3.26Å; V318-V321 PolarHBondContact O-N 2.76Å; V318-C322 PolarHBondContact O-N 3.09Å; V318-C322 PolarHBondContact O-SG 3.4Å; V318-C322 VanDerWaalsContact O-SG 3.34Å
319A56Low54.5Low14 Ų1459.2 Ų59.212%0.11629%0.29CS..Hα-helixtrans-63-45.5-179.700000111.5R315 R316 G317 V321 C322 L323 V335R315-A319 WeakPolarHBondContact O-CB 3.23Å; R315-A319 PolarHBondContact O-N 2.93Å; R316-A319 PolarHBondContact O-N 3.08Å; G317-A319 VanDerWaalsContact C-N 3.28Å; G317-A319 PolarHBondContact O-N 3.08Å; A319-V321 VanDerWaalsContact C-N 3.29Å; A319-V321 PolarHBondContact O-N 2.96Å; A319-C322 WeakPolarHBondContact O-CB 3.43Å; A319-C322 PolarHBondContact O-N 3.24Å; A319-L323 WeakPolarHBondContact O-CG 3.4Å; A319-L323 PolarHBondContact O-N 3.16Å; A319-V335 HydrophobicContact CB-CB 3.98Å; A319-V335 HydrophobicContact CB-CG1 3.31Å; A319-V335 HydrophobicContact CB-CG2 3.55Å
320M55.3Low53.8Low92 Ų9263.1 Ų63.145%0.45331%0.31SS..Hα-helixtrans-58.5-37.1174.9-75.8-67.9-71.100113.2R316 G317 V318 L323 R324R316-M320 WeakPolarHBondContact O-CB 3.45Å; R316-M320 VanDerWaalsContact O-CG 3.29Å; R316-M320 WeakPolarHBondContact O-CG 3.43Å; R316-M320 PolarHBondContact O-N 3.26Å; G317-M320 WeakPolarHBondContact O-CB 3.46Å; G317-M320 PolarHBondContact O-N 2.89Å; V318-M320 PolarHBondContact O-N 3.47Å; M320-L323 PolarHBondContact O-N 3.4Å; M320-R324 PolarHBondContact O-N 3.47Å; M320-R324 VanDerWaalsContact O-N 3.1Å
321V58.1Low53.1Low6 Ų664.4 Ų64.44%0.03632%0.315CS..Hα-helixtrans-67.7-45176.71740000111.2F254 M258 G317 V318 A319 L323 R324F254-V321 HydrophobicContact CB-CG1 4.26Å; F254-V321 HydrophobicContact CD1-CB 4.47Å; F254-V321 HydrophobicContact CD1-CG1 3.92Å; M258-V321 HydrophobicContact CB-CG2 3.92Å; M258-V321 HydrophobicContact CE-CG2 4Å; M258-V321 HydrophobicContact CG-CG2 3.36Å; M258-V321 HydrophobicContact SD-CG2 3.69Å; G317-V321 WeakPolarHBondContact O-CG2 3.33Å; G317-V321 PolarHBondContact O-N 3.08Å; V318-V321 WeakPolarHBondContact O-CB 3.26Å; V318-V321 PolarHBondContact O-N 2.76Å; A319-V321 VanDerWaalsContact C-N 3.29Å; A319-V321 PolarHBondContact O-N 2.96Å; V321-L323 PolarHBondContact O-N 2.84Å; V321-R324 PolarHBondContact O-N 2.87Å
322C54.5Low52Low57 Ų5766.9 Ų66.939%0.38534%0.336SS..Hα-helixtrans-58.3-35.8173-68.40000111.9F254 V318 A319 N325F254-C322 WeakPolarHBondContact CE1-SG 3.16Å; V318-C322 PolarHBondContact O-N 3.09Å; V318-C322 PolarHBondContact O-SG 3.4Å; V318-C322 VanDerWaalsContact O-SG 3.34Å; A319-C322 WeakPolarHBondContact O-CB 3.43Å; A319-C322 PolarHBondContact O-N 3.24Å; C322-N325 PolarHBondContact O-N 3.36Å
323L51.9Low51.3Low17 Ų1769.7 Ų69.79%0.08935%0.35CS..Hα-helixtrans-71.6-37178.6-52.9-164.6000113.8A319 M320 V321 N325 N326 Q331 A332 V335A319-L323 WeakPolarHBondContact O-CG 3.4Å; A319-L323 PolarHBondContact O-N 3.16Å; M320-L323 PolarHBondContact O-N 3.4Å; V321-L323 PolarHBondContact O-N 2.84Å; L323-N325 PolarHBondContact O-N 3.43Å; L323-N326 PolarHBondContact O-N 3.32Å; L323-Q331 HydrophobicContact CB-CB 4.5Å; L323-Q331 HydrophobicContact CD1-CB 4.12Å; L323-Q331 HydrophobicContact CD2-CB 3.29Å; L323-Q331 HydrophobicContact CD2-CG 4.38Å; L323-Q331 HydrophobicContact CG-CB 4.11Å; L323-A332 HydrophobicContact CD1-CB 4.36Å; L323-V335 HydrophobicContact CD1-CB 4.22Å; L323-V335 HydrophobicContact CD1-CG2 3.5Å; L323-V335 HydrophobicContact CD2-CG2 3.32Å; L323-V335 HydrophobicContact CG-CG2 3.57Å
324R55.6Low50.7Low167 Ų16773.1 Ų73.163%0.6336%0.363SS*.Hα-helixtrans-59.2-26.2176.6-92.4-175.6169.4-151.8-2.1112.5M320 V321M320-R324 PolarHBondContact O-N 3.47Å; M320-R324 VanDerWaalsContact O-N 3.1Å; V321-R324 PolarHBondContact O-N 2.87Å
325N58.5Low49.8Very low104 Ų10473.9 Ų73.956%0.55637%0.367SS*.THydrogen-bonded Turntrans-87.9-5.8-177.1-71.8-19.4000114.9C322 L323C322-N325 PolarHBondContact O-N 3.36Å; L323-N325 PolarHBondContact O-N 3.43Å
326N47.8Very low48.9Very low124 Ų12475.8 Ų75.866%0.66339%0.388SS*.SBendtrans-16998170.1-98.6-36.7000114.1L323 Q331L323-N326 PolarHBondContact O-N 3.32Å; N326-Q331 PolarHBondContact O-NE2 3.14Å; N326-Q331 PolarHBondContact O-OE1 2.95Å
327K41.4Very low48.2Very low168 Ų16875.8 Ų75.873%0.7339%0.391SS*.  trans61.7106.6170.7-64.8-166.7177.8-172.90117.1Q331K327-Q331 VanDerWaalsContact O-CG 3.3Å; K327-Q331 WeakPolarHBondContact O-CG 3.38Å
328P42.9Very low47.5Very low88 Ų8879.2 Ų79.257%0.57141%0.412SS*.SBendtrans-77.7-30.9-163.527.1-33.5000117.2
329E41.5Very low46.8Very low155 Ų15578.8 Ų78.872%0.72441%0.41SS*.Hα-helixtrans-82-40.3-165.3-71.6151.1-178.100114.2Q331E329-Q331 PolarHBondContact O-N 3.36Å
330I39.1Very low46.2Very low90 Ų9083.7 Ų83.746%0.46243%0.43SS..Hα-helixtrans-73.4-19.9178.7-56.1-178000111.4N605I330-N605 WeakPolarHBondContact CG1-OD1 3.39Å
331Q42.4Very low45.8Very low48 Ų4885.3 Ų85.322%0.22443%0.432CS..Hα-helixtrans-100.4-21.2-167-55.1-168-500114.2L323 N326 K327 E329 I333 K334 V335L323-Q331 HydrophobicContact CB-CB 4.5Å; L323-Q331 HydrophobicContact CD1-CB 4.12Å; L323-Q331 HydrophobicContact CD2-CB 3.29Å; L323-Q331 HydrophobicContact CD2-CG 4.38Å; L323-Q331 HydrophobicContact CG-CB 4.11Å; N326-Q331 PolarHBondContact O-NE2 3.14Å; N326-Q331 PolarHBondContact O-OE1 2.95Å; K327-Q331 VanDerWaalsContact O-CG 3.3Å; K327-Q331 WeakPolarHBondContact O-CG 3.38Å; E329-Q331 PolarHBondContact O-N 3.36Å; Q331-I333 PolarHBondContact O-N 2.82Å; Q331-K334 WeakPolarHBondContact O-CA 2.81Å; Q331-K334 WeakPolarHBondContact O-CB 3.21Å; Q331-K334 PolarHBondContact O-N 3.04Å; Q331-V335 WeakPolarHBondContact O-CG2 3.36Å; Q331-V335 PolarHBondContact O-N 2.85Å
332A38Very low45.4Very low53 Ų5388.5 Ų88.544%0.43844%0.443SS..Hα-helixtrans-57.6-38.2171.600000112.3L323 V335 A336L323-A332 HydrophobicContact CD1-CB 4.36Å; A332-V335 PolarHBondContact O-N 3.41Å; A332-A336 WeakPolarHBondContact O-CB 3.33Å; A332-A336 PolarHBondContact O-N 3.33Å
333I40.4Very low45Very low71 Ų7187.3 Ų87.336%0.36443%0.434SS..Hα-helixtrans-66-37.9174.1-62.6173.2000111.3Q331 V335 A336 K337Q331-I333 PolarHBondContact O-N 2.82Å; I333-V335 VanDerWaalsContact C-N 3.34Å; I333-A336 PolarHBondContact O-N 3.3Å; I333-K337 HydrophobicContact CG2-CD 4.2Å; I333-K337 WeakPolarHBondContact O-CB 3.42Å; I333-K337 VanDerWaalsContact O-CG 3.28Å; I333-K337 WeakPolarHBondContact O-CG 3.4Å; I333-K337 PolarHBondContact O-N 2.81Å
334K44.5Very low44.9Very low128 Ų12891 Ų9156%0.55745%0.447SS*.Hα-helixtrans-66-39175.4-69.2-177.6179.8177.90111Q331 K337 V338Q331-K334 WeakPolarHBondContact O-CA 2.81Å; Q331-K334 WeakPolarHBondContact O-CB 3.21Å; Q331-K334 PolarHBondContact O-N 3.04Å; K334-K337 PolarHBondContact O-N 3.47Å; K334-V338 WeakPolarHBondContact O-CB 3.39Å; K334-V338 WeakPolarHBondContact O-CG2 3.38Å; K334-V338 PolarHBondContact O-N 3.02Å
335V40.5Very low44.6Very low19 Ų1988.1 Ų88.112%0.11544%0.436CS..Hα-helixtrans-66.9-45.5175171.40000111.7A319 L323 Q331 A332 I333 K337 V338 C339A319-V335 HydrophobicContact CB-CB 3.98Å; A319-V335 HydrophobicContact CB-CG1 3.31Å; A319-V335 HydrophobicContact CB-CG2 3.55Å; L323-V335 HydrophobicContact CD1-CB 4.22Å; L323-V335 HydrophobicContact CD1-CG2 3.5Å; L323-V335 HydrophobicContact CD2-CG2 3.32Å; L323-V335 HydrophobicContact CG-CG2 3.57Å; Q331-V335 WeakPolarHBondContact O-CG2 3.36Å; Q331-V335 PolarHBondContact O-N 2.85Å; A332-V335 PolarHBondContact O-N 3.41Å; I333-V335 VanDerWaalsContact C-N 3.34Å; V335-K337 VanDerWaalsContact C-N 3.32Å; V335-K337 PolarHBondContact O-N 2.65Å; V335-V338 PolarHBondContact O-N 3.48Å; V335-C339 VanDerWaalsContact O-CB 3.28Å; V335-C339 WeakPolarHBondContact O-CB 3.47Å; V335-C339 PolarHBondContact O-N 2.91Å; V335-C339 PolarHBondContact O-SG 3.26Å
336A41.6Very low44.1Very low61 Ų6183.2 Ų83.250%0.50441%0.41SS..Hα-helixtrans-59.9-41.9174.900000111.8A332 I333 H340A332-A336 WeakPolarHBondContact O-CB 3.33Å; A332-A336 PolarHBondContact O-N 3.33Å; I333-A336 PolarHBondContact O-N 3.3Å; A336-H340 WeakPolarHBondContact O-CB 3.38Å; A336-H340 PolarHBondContact O-N 2.75Å
337K44.9Very low44.3Very low113 Ų11378.2 Ų78.249%0.49138%0.382SS..Hα-helixtrans-64.8-44.3175.7-76.8177.6179.5-178.20112.6I333 K334 V335 H340 Y341I333-K337 HydrophobicContact CG2-CD 4.2Å; I333-K337 WeakPolarHBondContact O-CB 3.42Å; I333-K337 VanDerWaalsContact O-CG 3.28Å; I333-K337 WeakPolarHBondContact O-CG 3.4Å; I333-K337 PolarHBondContact O-N 2.81Å; K334-K337 PolarHBondContact O-N 3.47Å; V335-K337 VanDerWaalsContact C-N 3.32Å; V335-K337 PolarHBondContact O-N 2.65Å; K337-H340 PolarHBondContact O-N 2.96Å; K337-Y341 VanDerWaalsContact O-CB 3.24Å; K337-Y341 WeakPolarHBondContact O-CB 3.29Å; K337-Y341 PolarHBondContact O-N 2.96Å
338V43.7Very low44.5Very low73 Ų7370.7 Ų70.744%0.44235%0.35SS..Hα-helixtrans-64.8-47.21771690000110.1K334 V335 H340 Y341 W342K334-V338 WeakPolarHBondContact O-CB 3.39Å; K334-V338 WeakPolarHBondContact O-CG2 3.38Å; K334-V338 PolarHBondContact O-N 3.02Å; V335-V338 PolarHBondContact O-N 3.48Å; V338-H340 PolarHBondContact O-N 2.87Å; V338-Y341 PolarHBondContact O-N 3.09Å; V338-W342 VanDerWaalsContact CG1-CD1 3.47Å; V338-W342 PolarHBondContact O-N 3.24Å
339C43.2Very low44.7Very low7 Ų769.1 Ų69.15%0.04734%0.335CS..Hα-helixtrans-61.8-44.2176.5-69.90000112R316 V335 W342 T343R316-C339 HydrophobicContact CG-CB 4.39Å; R316-C339 WeakPolarHBondContact CG-SG 3.39Å; V335-C339 VanDerWaalsContact O-CB 3.28Å; V335-C339 WeakPolarHBondContact O-CB 3.47Å; V335-C339 PolarHBondContact O-N 2.91Å; V335-C339 PolarHBondContact O-SG 3.26Å; C339-W342 PolarHBondContact O-N 3.07Å; C339-T343 WeakPolarHBondContact O-CB 3.07Å; C339-T343 PolarHBondContact O-N 3.27Å; C339-T343 PolarHBondContact O-OG1 3.47Å
340H44.9Very low44.9Very low116 Ų11661.7 Ų61.754%0.53730%0.301SS..Hα-helixtrans-63.6-42.8177-175.878.2000112.1A336 K337 V338 W342 T343 R344A336-H340 WeakPolarHBondContact O-CB 3.38Å; A336-H340 PolarHBondContact O-N 2.75Å; K337-H340 PolarHBondContact O-N 2.96Å; V338-H340 PolarHBondContact O-N 2.87Å; H340-W342 VanDerWaalsContact C-N 3.34Å; H340-W342 PolarHBondContact O-N 3.13Å; H340-T343 PolarHBondContact O-N 2.83Å; H340-R344 WeakPolarHBondContact O-CB 3.12Å; H340-R344 PolarHBondContact O-N 3.43Å
341Y47.4Very low45.2Very low126 Ų12658.9 Ų58.949%0.49428%0.284SS..Hα-helixtrans-58.3-45.6173.3173.4-95.3000111.5K337 V338 R344 R345K337-Y341 VanDerWaalsContact O-CB 3.24Å; K337-Y341 WeakPolarHBondContact O-CB 3.29Å; K337-Y341 PolarHBondContact O-N 2.96Å; V338-Y341 PolarHBondContact O-N 3.09Å; Y341-R344 PolarHBondContact O-N 3.23Å; Y341-R345 VanDerWaalsContact O-CB 3.3Å; Y341-R345 WeakPolarHBondContact O-CB 3.25Å; Y341-R345 PolarHBondContact O-N 3.27Å; Y341-R345 PolarHBondContact OH-NH1 3.39Å
342W47.9Very low45.2Very low73 Ų7360.8 Ų60.828%0.27729%0.293SS..Hα-helixtrans-71.3-37.9179-75117.8000113.3L312 R315 V338 C339 H340 R345 L346L312-W342 HydrophobicContact CD2-CB 4.45Å; R315-W342 VanDerWaalsContact NH1-CD2 3.32Å; V338-W342 VanDerWaalsContact CG1-CD1 3.47Å; V338-W342 PolarHBondContact O-N 3.24Å; C339-W342 PolarHBondContact O-N 3.07Å; H340-W342 VanDerWaalsContact C-N 3.34Å; H340-W342 PolarHBondContact O-N 3.13Å; W342-R345 HydrophobicContact CE3-CB 4.5Å; W342-R345 PolarHBondContact O-N 3.4Å; W342-L346 VanDerWaalsContact O-CB 3.26Å; W342-L346 WeakPolarHBondContact O-CB 3.41Å; W342-L346 WeakPolarHBondContact O-CD1 3.49Å; W342-L346 VanDerWaalsContact O-CG 3.29Å; W342-L346 WeakPolarHBondContact O-CG 3.34Å; W342-L346 PolarHBondContact O-N 2.63Å
343T47.7Very low45.6Very low32 Ų3259.4 Ų59.420%0.19628%0.278CS..Hα-helixtrans-57.4-52.4171.7-59.20000109.3L312 C339 H340 R345 L346 F347L312-T343 HydrophobicContact CD1-CG2 3.96Å; L312-T343 WeakPolarHBondContact CD1-OG1 2.69Å; L312-T343 WeakPolarHBondContact CD2-OG1 2.66Å; C339-T343 WeakPolarHBondContact O-CB 3.07Å; C339-T343 PolarHBondContact O-N 3.27Å; C339-T343 PolarHBondContact O-OG1 3.47Å; H340-T343 PolarHBondContact O-N 2.83Å; T343-R345 VanDerWaalsContact C-N 3.32Å; T343-R345 PolarHBondContact O-N 3.5Å; T343-L346 PolarHBondContact O-N 3.1Å; T343-F347 HydrophobicContact CG2-CD2 3.73Å; T343-F347 HydrophobicContact CG2-CE2 3.72Å; T343-F347 WeakPolarHBondContact O-CB 2.97Å; T343-F347 WeakPolarHBondContact O-CD2 3.48Å; T343-F347 PolarHBondContact O-N 3.31Å
344R48.6Very low45.6Very low95 Ų9556.4 Ų56.436%0.35826%0.264SS..Hα-helixtrans-59.7-43.4179.2-166.9171.8179.4170.7-1.9111.7S213 H340 Y341 V348S213-R344 PolarHBondContact O-NH2 2.78Å; H340-R344 WeakPolarHBondContact O-CB 3.12Å; H340-R344 PolarHBondContact O-N 3.43Å; Y341-R344 PolarHBondContact O-N 3.23Å; R344-V348 HydrophobicContact CG-CG2 4.48Å; R344-V348 VanDerWaalsContact O-CB 3.25Å; R344-V348 WeakPolarHBondContact O-CB 3.17Å; R344-V348 WeakPolarHBondContact O-CG2 3.42Å; R344-V348 PolarHBondContact O-N 3.19Å
345R49.8Very low45.4Very low106 Ų10650.3 Ų50.340%0.424%0.238SC..Hα-helixtrans-66-44.7179-173.8170.8174.5159.8-3.5113.1Y341 W342 T343 Q349Y341-R345 VanDerWaalsContact O-CB 3.3Å; Y341-R345 WeakPolarHBondContact O-CB 3.25Å; Y341-R345 PolarHBondContact O-N 3.27Å; Y341-R345 PolarHBondContact OH-NH1 3.39Å; W342-R345 HydrophobicContact CE3-CB 4.5Å; W342-R345 PolarHBondContact O-N 3.4Å; T343-R345 VanDerWaalsContact C-N 3.32Å; T343-R345 PolarHBondContact O-N 3.5Å; R345-Q349 WeakPolarHBondContact O-CB 3.39Å; R345-Q349 WeakPolarHBondContact O-CG 3.48Å; R345-Q349 PolarHBondContact O-N 3.29Å
346L49.1Very low45.4Very low2 Ų250.3 Ų50.31%0.0124%0.239CC..Hα-helixtrans-64.1-45.8178.7-78.9162.5000111.2F239 E243 V308 L312 W342 T343 Q349 C350F239-L346 HydrophobicContact CE1-CD2 3.88Å; F239-L346 HydrophobicContact CE2-CD2 4.25Å; F239-L346 HydrophobicContact CZ-CD2 3.32Å; F239-L346 HydrophobicContact CZ-CG 4.41Å; E243-L346 HydrophobicContact CG-CD2 3.78Å; E243-L346 VanDerWaalsContact OE2-CD2 3.26Å; E243-L346 WeakPolarHBondContact OE2-CD2 3.24Å; V308-L346 HydrophobicContact CG1-CB 3.89Å; V308-L346 HydrophobicContact CG1-CD1 4.31Å; V308-L346 HydrophobicContact CG2-CB 4.15Å; V308-L346 HydrophobicContact CG2-CD2 4.31Å; L312-L346 HydrophobicContact CD2-CD1 3.93Å; L312-L346 HydrophobicContact CG-CD1 4.06Å; W342-L346 VanDerWaalsContact O-CB 3.26Å; W342-L346 WeakPolarHBondContact O-CB 3.41Å; W342-L346 WeakPolarHBondContact O-CD1 3.49Å; W342-L346 VanDerWaalsContact O-CG 3.29Å; W342-L346 WeakPolarHBondContact O-CG 3.34Å; W342-L346 PolarHBondContact O-N 2.63Å; T343-L346 PolarHBondContact O-N 3.1Å; L346-Q349 PolarHBondContact O-N 3.2Å; L346-C350 WeakPolarHBondContact O-CB 3.3Å; L346-C350 PolarHBondContact O-N 3.06Å; L346-C350 PolarHBondContact O-SG 3.5Å; L346-C350 VanDerWaalsContact O-SG 3.4Å
347F49.9Very low45.2Very low19 Ų1948.1 Ų48.18%0.08322%0.219CC..Hα-helixtrans-64.8-44.3177.7-87.4-102.2000112V308 L312 T343 Q349 C350 W351 V360 E361V308-F347 HydrophobicContact CG1-CD2 4.04Å; V308-F347 HydrophobicContact CG1-CE2 3.83Å; L312-F347 HydrophobicContact CD1-CE2 4.35Å; T343-F347 HydrophobicContact CG2-CD2 3.73Å; T343-F347 HydrophobicContact CG2-CE2 3.72Å; T343-F347 WeakPolarHBondContact O-CB 2.97Å; T343-F347 WeakPolarHBondContact O-CD2 3.48Å; T343-F347 PolarHBondContact O-N 3.31Å; F347-Q349 VanDerWaalsContact C-N 3.31Å; F347-Q349 PolarHBondContact O-N 3.2Å; F347-C350 PolarHBondContact O-N 3.22Å; F347-W351 WeakPolarHBondContact O-CB 3.42Å; F347-W351 PolarHBondContact O-N 3.21Å; F347-V360 HydrophobicContact CD1-CB 4.13Å; F347-V360 HydrophobicContact CD1-CG1 3.58Å; F347-V360 HydrophobicContact CE1-CB 3.75Å; F347-V360 HydrophobicContact CE1-CG1 3.1Å; F347-V360 HydrophobicContact CE2-CG1 4.25Å; F347-V360 HydrophobicContact CG-CG1 4.35Å; F347-V360 HydrophobicContact CZ-CG1 3.49Å; F347-V360 VanDerWaalsContact CZ-CG1 3.49Å; F347-E361 HydrophobicContact CE1-CG 4.17Å
348V46Very low44.9Very low10 Ų1046.1 Ų46.16%0.06122%0.223CC..Hα-helixtrans-61.9-40.2175.5168.70000110.8Q216 T220 R344 W351 E352Q216-V348 HydrophobicContact CB-CG1 4.21Å; Q216-V348 HydrophobicContact CB-CG2 3.97Å; Q216-V348 HydrophobicContact CG-CG1 3.88Å; T220-V348 HydrophobicContact CG2-CG2 4.04Å; R344-V348 HydrophobicContact CG-CG2 4.48Å; R344-V348 VanDerWaalsContact O-CB 3.25Å; R344-V348 WeakPolarHBondContact O-CB 3.17Å; R344-V348 WeakPolarHBondContact O-CG2 3.42Å; R344-V348 PolarHBondContact O-N 3.19Å; V348-W351 WeakPolarHBondContact O-CB 3.34Å; V348-W351 PolarHBondContact O-N 3.11Å; V348-E352 HydrophobicContact CG1-CG 4.14Å; V348-E352 WeakPolarHBondContact CG1-OE1 3.34Å; V348-E352 VanDerWaalsContact O-CB 3.29Å; V348-E352 WeakPolarHBondContact O-CB 3.43Å; V348-E352 WeakPolarHBondContact O-CG 3.44Å; V348-E352 PolarHBondContact O-N 3.21Å
349Q47Very low44.7Very low54 Ų5444.6 Ų44.625%0.25221%0.213SC..Hα-helixtrans-71.8-41.2178.6-77.6-160.8-26.800113.3F239 R345 L346 F347 W351 M353F239-Q349 HydrophobicContact CD1-CB 4.37Å; F239-Q349 HydrophobicContact CE1-CB 3.84Å; F239-Q349 HydrophobicContact CE2-CB 4.42Å; F239-Q349 HydrophobicContact CZ-CB 3.83Å; R345-Q349 WeakPolarHBondContact O-CB 3.39Å; R345-Q349 WeakPolarHBondContact O-CG 3.48Å; R345-Q349 PolarHBondContact O-N 3.29Å; L346-Q349 PolarHBondContact O-N 3.2Å; F347-Q349 VanDerWaalsContact C-N 3.31Å; F347-Q349 PolarHBondContact O-N 3.2Å; Q349-W351 PolarHBondContact O-N 3.28Å; Q349-M353 HydrophobicContact CB-CE 3.7Å; Q349-M353 HydrophobicContact CG-CE 4.46Å; Q349-M353 WeakPolarHBondContact O-CB 3.4Å; Q349-M353 WeakPolarHBondContact O-CE 3.36Å; Q349-M353 VanDerWaalsContact O-CG 3.27Å; Q349-M353 WeakPolarHBondContact O-CG 3.4Å; Q349-M353 PolarHBondContact O-N 3.41Å
350C46.6Very low44.5Very low0 Ų044.3 Ų44.30%021%0.211CC..Hα-helixtrans-60.5-39171.9-72.70000111.6L236 V308 L346 F347 M353 G354 A355L236-C350 HydrophobicContact CD1-CB 4.39Å; V308-C350 WeakPolarHBondContact CG2-SG 3.31Å; L346-C350 WeakPolarHBondContact O-CB 3.3Å; L346-C350 PolarHBondContact O-N 3.06Å; L346-C350 PolarHBondContact O-SG 3.5Å; L346-C350 VanDerWaalsContact O-SG 3.4Å; F347-C350 PolarHBondContact O-N 3.22Å; C350-M353 CarbonylContact O-C 3.53Å; C350-M353 PolarHBondContact O-N 3.12Å; C350-G354 PolarHBondContact O-N 3.44Å; C350-A355 HydrophobicContact CB-CB 4.2Å; C350-A355 WeakPolarHBondContact O-CB 3.12Å; C350-A355 PolarHBondContact O-N 2.93Å
351W44.5Very low44.2Very low30 Ų3042.5 Ų42.511%0.11420%0.203CC..Hα-helixtrans-67.9-50.8176.7179-92.2000113.7C219 T220 L222 A224 F347 V348 Q349 M353 G354 S356 V357C219-W351 WeakPolarHBondContact O-CZ2 3.11Å; C219-W351 PolarHBondContact O-NE1 2.8Å; T220-W351 HydrophobicContact CG2-CB 3.99Å; T220-W351 HydrophobicContact CG2-CG 3.98Å; L222-W351 WeakPolarHBondContact O-CH2 3.37Å; L222-W351 WeakPolarHBondContact O-CZ2 3.34Å; A224-W351 HydrophobicContact CB-CH2 3.61Å; A224-W351 HydrophobicContact CB-CZ2 4.06Å; A224-W351 HydrophobicContact CB-CZ3 4.06Å; F347-W351 WeakPolarHBondContact O-CB 3.42Å; F347-W351 PolarHBondContact O-N 3.21Å; V348-W351 WeakPolarHBondContact O-CB 3.34Å; V348-W351 PolarHBondContact O-N 3.11Å; Q349-W351 PolarHBondContact O-N 3.28Å; W351-M353 PolarHBondContact O-N 2.92Å; W351-G354 PolarHBondContact O-N 3.29Å; W351-S356 VanDerWaalsContact CZ3-CA 3.47Å; W351-V357 HydrophobicContact CB-CG2 4.06Å; W351-V357 HydrophobicContact CD2-CG2 3.75Å; W351-V357 HydrophobicContact CE3-CB 3.71Å; W351-V357 HydrophobicContact CE3-CG2 3.17Å; W351-V357 HydrophobicContact CG-CG2 4.08Å; W351-V357 HydrophobicContact CZ3-CB 3.93Å; W351-V357 HydrophobicContact CZ3-CG2 3.91Å
352E42.7Very low43.8Very low89 Ų8941.6 Ų41.642%0.41620%0.199SC..Hα-helixtrans-57.1-22.5177.1-79.2174.9173.100112.1Q232 V348Q232-E352 VanDerWaalsContact CD-O 3.31Å; Q232-E352 PolarHBondContact NE2-O 3.25Å; V348-E352 HydrophobicContact CG1-CG 4.14Å; V348-E352 WeakPolarHBondContact CG1-OE1 3.34Å; V348-E352 VanDerWaalsContact O-CB 3.29Å; V348-E352 WeakPolarHBondContact O-CB 3.43Å; V348-E352 WeakPolarHBondContact O-CG 3.44Å; V348-E352 PolarHBondContact O-N 3.21Å
353M46.3Very low43.2Very low24 Ų2438.2 Ų38.212%0.11819%0.187CC..THydrogen-bonded Turntrans-105.512.1179.2-56.8-174.7-96.400113.9R235 L236 F239 Q349 C350 W351R235-M353 HydrophobicContact CB-CG 4.42Å; R235-M353 HydrophobicContact CB-SD 3.67Å; L236-M353 VanDerWaalsContact CA-SD 3.55Å; L236-M353 HydrophobicContact CB-CB 3.69Å; L236-M353 HydrophobicContact CB-SD 4.33Å; L236-M353 HydrophobicContact CD1-CB 4.11Å; L236-M353 HydrophobicContact CD1-CE 4.48Å; L236-M353 HydrophobicContact CG-CB 4.34Å; L236-M353 PolarHBondContact N-SD 3.4Å; F239-M353 HydrophobicContact CB-CE 3.59Å; F239-M353 HydrophobicContact CB-SD 4.24Å; F239-M353 HydrophobicContact CD1-CE 3.63Å; F239-M353 HydrophobicContact CD2-CE 4.42Å; F239-M353 HydrophobicContact CE1-CE 4.37Å; F239-M353 HydrophobicContact CG-CE 3.62Å; Q349-M353 HydrophobicContact CB-CE 3.7Å; Q349-M353 HydrophobicContact CG-CE 4.46Å; Q349-M353 WeakPolarHBondContact O-CB 3.4Å; Q349-M353 WeakPolarHBondContact O-CE 3.36Å; Q349-M353 VanDerWaalsContact O-CG 3.27Å; Q349-M353 WeakPolarHBondContact O-CG 3.4Å; Q349-M353 PolarHBondContact O-N 3.41Å; C350-M353 CarbonylContact O-C 3.53Å; C350-M353 PolarHBondContact O-N 3.12Å; W351-M353 PolarHBondContact O-N 2.92Å
354G40.2Very low42.7Very low7 Ų740.9 Ų40.97%0.07219%0.193CC..THydrogen-bonded Turntrans101.23.1164.100000116.9H297 C350 W351H297-G354 PolarHBondContact NE2-O 3.49Å; C350-G354 PolarHBondContact O-N 3.44Å; W351-G354 PolarHBondContact O-N 3.29Å
355A40.5Very low42.2Very low0 Ų039.3 Ų39.30%019%0.192CC..  trans-79.1132.8172.700000110.4L236 S301 A304 C350 V357 V360L236-A355 HydrophobicContact CD2-CB 4.22Å; S301-A355 WeakPolarHBondContact OG-CA 3.42Å; A304-A355 HydrophobicContact CB-CB 4.41Å; C350-A355 HydrophobicContact CB-CB 4.2Å; C350-A355 WeakPolarHBondContact O-CB 3.12Å; C350-A355 PolarHBondContact O-N 2.93Å; A355-V357 PolarHBondContact O-N 2.83Å; A355-V360 HydrophobicContact CB-CG2 4.4Å
356S41.3Very low41.3Very low20 Ų2037.9 Ų37.914%0.1420%0.195CC..  trans-75.1129.4-176.4100.70000111.5W351 A358 D359 V360W351-S356 VanDerWaalsContact CZ3-CA 3.47Å; S356-A358 PolarHBondContact O-N 3.27Å; S356-D359 WeakPolarHBondContact CB-OD2 3.43Å; S356-D359 WeakPolarHBondContact O-CA 3.34Å; S356-D359 WeakPolarHBondContact O-CB 3.39Å; S356-D359 PolarHBondContact O-N 2.97Å; S356-D359 WeakPolarHBondContact OG-CB 3.25Å; S356-D359 PolarHBondContact OG-N 3.33Å; S356-D359 PolarHBondContact OG-OD2 3.33Å; S356-V360 WeakPolarHBondContact O-CG2 3.1Å; S356-V360 PolarHBondContact O-N 3.23Å
357V38.1Very low40.5Very low15 Ų1540.7 Ų40.79%0.09122%0.218CC..Hα-helixtrans-58.3-30.8174.4164.40000111.1T220 W351 A355 D359 V360 E361T220-V357 HydrophobicContact CG2-CG2 3.76Å; T220-V357 WeakPolarHBondContact O-CB 3.29Å; T220-V357 VanDerWaalsContact O-CG1 3.25Å; T220-V357 WeakPolarHBondContact O-CG1 3.14Å; T220-V357 WeakPolarHBondContact O-CG2 3.27Å; W351-V357 HydrophobicContact CB-CG2 4.06Å; W351-V357 HydrophobicContact CD2-CG2 3.75Å; W351-V357 HydrophobicContact CE3-CB 3.71Å; W351-V357 HydrophobicContact CE3-CG2 3.17Å; W351-V357 HydrophobicContact CG-CG2 4.08Å; W351-V357 HydrophobicContact CZ3-CB 3.93Å; W351-V357 HydrophobicContact CZ3-CG2 3.91Å; A355-V357 PolarHBondContact O-N 2.83Å; V357-D359 VanDerWaalsContact C-N 3.34Å; V357-V360 PolarHBondContact O-N 3.1Å; V357-E361 HydrophobicContact CG1-CG 4.08Å; V357-E361 VanDerWaalsContact O-CB 3.29Å; V357-E361 WeakPolarHBondContact O-CB 3.45Å; V357-E361 PolarHBondContact O-N 2.91Å
358A37.9Very low39.6Very low70 Ų7045 Ų4558%0.57924%0.237SC*.Hα-helixtrans-60-44.517000000111.3S356 Y362S356-A358 PolarHBondContact O-N 3.27Å; A358-Y362 WeakPolarHBondContact O-CA 3.44Å; A358-Y362 WeakPolarHBondContact O-CB 3.49Å; A358-Y362 PolarHBondContact O-N 2.96Å
359D39.9Very low38.7Very low41 Ų4147.2 Ų47.222%0.21926%0.261CS..Hα-helixtrans-69.1-36.8176.9-61.4-39000111.8H298 S356 V357 C363H298-D359 IonicContact CE1-OD2 3.23Å; H298-D359 IonicContact ND1-OD2 2.75Å; H298-D359 PolarHBondContact ND1-OD2 2.95Å; S356-D359 WeakPolarHBondContact CB-OD2 3.43Å; S356-D359 WeakPolarHBondContact O-CA 3.34Å; S356-D359 WeakPolarHBondContact O-CB 3.39Å; S356-D359 PolarHBondContact O-N 2.97Å; S356-D359 WeakPolarHBondContact OG-CB 3.25Å; S356-D359 PolarHBondContact OG-N 3.33Å; S356-D359 PolarHBondContact OG-OD2 3.33Å; V357-D359 VanDerWaalsContact C-N 3.34Å; D359-C363 WeakPolarHBondContact O-CB 3.17Å; D359-C363 PolarHBondContact O-N 3.47Å; D359-C363 PolarHBondContact O-SG 3.34Å
360V39.3Very low37.7Very low2 Ų248.3 Ų48.31%0.01227%0.272CS..Hα-helixtrans-74.5-39.7179.4-170.30000112S305 F347 A355 S356 V357 R364S305-V360 WeakPolarHBondContact OG-CA 3.38Å; S305-V360 WeakPolarHBondContact OG-CG1 3.43Å; S305-V360 PolarHBondContact OG-O 2.98Å; F347-V360 HydrophobicContact CD1-CB 4.13Å; F347-V360 HydrophobicContact CD1-CG1 3.58Å; F347-V360 HydrophobicContact CE1-CB 3.75Å; F347-V360 HydrophobicContact CE1-CG1 3.1Å; F347-V360 HydrophobicContact CE2-CG1 4.25Å; F347-V360 HydrophobicContact CG-CG1 4.35Å; F347-V360 HydrophobicContact CZ-CG1 3.49Å; F347-V360 VanDerWaalsContact CZ-CG1 3.49Å; A355-V360 HydrophobicContact CB-CG2 4.4Å; S356-V360 WeakPolarHBondContact O-CG2 3.1Å; S356-V360 PolarHBondContact O-N 3.23Å; V357-V360 PolarHBondContact O-N 3.1Å; V360-R364 VanDerWaalsContact O-CB 3.31Å; V360-R364 WeakPolarHBondContact O-CB 3.38Å; V360-R364 PolarHBondContact O-N 2.86Å
361E38.6Very low37.1Very low77 Ų7755.4 Ų55.436%0.3630%0.3SS..Hα-helixtrans-72.9-35172.8-76.1-158.2130.500112.5F347 V357 R364 N365F347-E361 HydrophobicContact CE1-CG 4.17Å; V357-E361 HydrophobicContact CG1-CG 4.08Å; V357-E361 VanDerWaalsContact O-CB 3.29Å; V357-E361 WeakPolarHBondContact O-CB 3.45Å; V357-E361 PolarHBondContact O-N 2.91Å; E361-R364 WeakPolarHBondContact O-CB 3.48Å; E361-R364 PolarHBondContact O-N 2.84Å; E361-R364 IonicContact OE1-CZ 3.45Å; E361-R364 IonicContact OE1-NH1 3.66Å; E361-R364 PolarHBondContact OE1-NH1 2.99Å; E361-R364 IonicContact OE1-NH2 2.73Å; E361-N365 WeakPolarHBondContact O-CB 3.38Å; E361-N365 PolarHBondContact O-N 3.15Å; E361-N365 PolarHBondContact O-ND2 3.49Å
362Y39Very low36.5Very low107 Ų10759.7 Ų59.742%0.4232%0.321SS..Hα-helixtrans-58.5-50.9170.5176.1-100.5000110.5A358 R364 N365 V366A358-Y362 WeakPolarHBondContact O-CA 3.44Å; A358-Y362 WeakPolarHBondContact O-CB 3.49Å; A358-Y362 PolarHBondContact O-N 2.96Å; Y362-R364 VanDerWaalsContact C-N 3.33Å; Y362-R364 PolarHBondContact O-N 3.39Å; Y362-N365 PolarHBondContact O-N 2.95Å; Y362-N365 VanDerWaalsContact O-N 3.14Å; Y362-V366 HydrophobicContact CD1-CG2 4.31Å; Y362-V366 HydrophobicContact CE1-CG2 4.04Å; Y362-V366 HydrophobicContact CE2-CG2 4.46Å; Y362-V366 WeakPolarHBondContact O-CB 3.34Å; Y362-V366 VanDerWaalsContact O-CG2 3.24Å; Y362-V366 WeakPolarHBondContact O-CG2 3.35Å; Y362-V366 PolarHBondContact O-N 3.44Å
363C34.5Very low36Very low3 Ų360.8 Ų60.82%0.0233%0.33CS..Hα-helixtrans-66.1-32.2176.3-69.40000113.3Y302 S305 D359 A367Y302-C363 WeakPolarHBondContact CD2-SG 3.05Å; Y302-C363 WeakPolarHBondContact CE2-SG 3.5Å; S305-C363 VanDerWaalsContact CB-CB 3.47Å; S305-C363 WeakPolarHBondContact OG-CB 3.1Å; D359-C363 WeakPolarHBondContact O-CB 3.17Å; D359-C363 PolarHBondContact O-N 3.47Å; D359-C363 PolarHBondContact O-SG 3.34Å; C363-A367 VanDerWaalsContact O-CB 3.25Å; C363-A367 WeakPolarHBondContact O-CB 3.1Å; C363-A367 PolarHBondContact O-N 3.41Å
364R37.6Very low35.1Very low88 Ų8864.3 Ų64.333%0.33235%0.349SS..Hα-helixtrans-60.4-50.8168.8-170.6-176.4104.6-152.7-1.2110V360 E361 Y362 V366 A367 F368V360-R364 VanDerWaalsContact O-CB 3.31Å; V360-R364 WeakPolarHBondContact O-CB 3.38Å; V360-R364 PolarHBondContact O-N 2.86Å; E361-R364 WeakPolarHBondContact O-CB 3.48Å; E361-R364 PolarHBondContact O-N 2.84Å; E361-R364 IonicContact OE1-CZ 3.45Å; E361-R364 IonicContact OE1-NH1 3.66Å; E361-R364 PolarHBondContact OE1-NH1 2.99Å; E361-R364 IonicContact OE1-NH2 2.73Å; Y362-R364 VanDerWaalsContact C-N 3.33Å; Y362-R364 PolarHBondContact O-N 3.39Å; R364-V366 VanDerWaalsContact C-N 3.29Å; R364-V366 PolarHBondContact O-N 2.78Å; R364-A367 PolarHBondContact O-N 3.45Å; R364-A367 VanDerWaalsContact O-N 3.16Å; R364-F368 HydrophobicContact CG-CD2 3.61Å; R364-F368 HydrophobicContact CG-CE2 3.78Å; R364-F368 WeakPolarHBondContact O-CB 3.27Å; R364-F368 WeakPolarHBondContact O-CD2 3.29Å; R364-F368 PolarHBondContact O-N 2.79Å
365N37.3Very low34.8Very low61 Ų6172 Ų7233%0.32639%0.388SS..Hα-helixtrans-66.9-31.2-178.6-65.3-19.9000112.4E361 Y362 F368 G369 T370E361-N365 WeakPolarHBondContact O-CB 3.38Å; E361-N365 PolarHBondContact O-N 3.15Å; E361-N365 PolarHBondContact O-ND2 3.49Å; Y362-N365 PolarHBondContact O-N 2.95Å; Y362-N365 VanDerWaalsContact O-N 3.14Å; N365-F368 CarbonylContact O-C 3.58Å; N365-G369 PolarHBondContact O-N 2.97Å; N365-T370 PolarHBondContact O-N 2.58Å; N365-T370 VanDerWaalsContact O-N 3.08Å
366V31.7Very low34.3Very low77 Ų7776 Ų7647%0.46742%0.422SS..Hα-helixtrans-67.1-46169.6170.40000111.2Y362 R364 F368 G369Y362-V366 HydrophobicContact CD1-CG2 4.31Å; Y362-V366 HydrophobicContact CE1-CG2 4.04Å; Y362-V366 HydrophobicContact CE2-CG2 4.46Å; Y362-V366 WeakPolarHBondContact O-CB 3.34Å; Y362-V366 VanDerWaalsContact O-CG2 3.24Å; Y362-V366 WeakPolarHBondContact O-CG2 3.35Å; Y362-V366 PolarHBondContact O-N 3.44Å; R364-V366 VanDerWaalsContact C-N 3.29Å; R364-V366 PolarHBondContact O-N 2.78Å; V366-F368 VanDerWaalsContact C-N 3.29Å; V366-F368 PolarHBondContact O-N 3.36Å; V366-G369 PolarHBondContact O-N 3.41Å
367A31.7Very low33.8Very low61 Ų6179.6 Ų79.650%0.50444%0.438SS..Hα-helixtrans-68.3-25.6177.400000113.4C363 R364C363-A367 VanDerWaalsContact O-CB 3.25Å; C363-A367 WeakPolarHBondContact O-CB 3.1Å; C363-A367 PolarHBondContact O-N 3.41Å; R364-A367 PolarHBondContact O-N 3.45Å; R364-A367 VanDerWaalsContact O-N 3.16Å
368F30.5Very low33.4Very low110 Ų11083.5 Ų83.548%0.48246%0.458SS..THydrogen-bonded Turntrans-1069.6179.3-68.2-71.3000114.2R364 N365 V366R364-F368 HydrophobicContact CG-CD2 3.61Å; R364-F368 HydrophobicContact CG-CE2 3.78Å; R364-F368 WeakPolarHBondContact O-CB 3.27Å; R364-F368 WeakPolarHBondContact O-CD2 3.29Å; R364-F368 PolarHBondContact O-N 2.79Å; N365-F368 CarbonylContact O-C 3.58Å; V366-F368 VanDerWaalsContact C-N 3.29Å; V366-F368 PolarHBondContact O-N 3.36Å
369G27.2Very low32.8Very low55 Ų5584.7 Ų84.757%0.56746%0.46SS*.THydrogen-bonded Turntrans76.439.1161.600000117.8N365 V366N365-G369 PolarHBondContact O-N 2.97Å; V366-G369 PolarHBondContact O-N 3.41Å
370T27Very low32.3Very low78 Ų7885.6 Ų85.648%0.47947%0.47SS..  trans-124.1105.6177.441.50000113.9N365N365-T370 PolarHBondContact O-N 2.58Å; N365-T370 VanDerWaalsContact O-N 3.08Å
371Y34.2Very low31.7Very low149 Ų14991.9 Ų91.958%0.58450%0.495SS*.  trans74.7116.7160.7-73.8-94.4000118.7I425Y371-I425 HydrophobicContact CE1-CD1 3.6Å; Y371-I425 HydrophobicContact CE1-CG1 4.44Å; Y371-I425 HydrophobicContact CE1-CG2 4.07Å; Y371-I425 HydrophobicContact CE2-CD1 4.4Å; Y371-I425 WeakPolarHBondContact OH-CD1 3.36Å; Y371-I425 WeakPolarHBondContact OH-CG1 3.45Å; Y371-I425 WeakPolarHBondContact OH-CG2 3.48Å
372E31.1Very low31.2Very low119 Ų11991.9 Ų91.956%0.55651%0.507SS*.  100.1-8.275-91.4-174.1-17500115.7
373D31.8Very low30.6Very low112 Ų11291.3 Ų91.360%0.59952%0.515SS*.  trans-120.642.7177.8-83.1-34.6000114.5D375D373-D375 PolarHBondContact O-N 2.87Å
374L28.2Very low30.2Very low99 Ų9994.3 Ų94.352%0.51854%0.54SS..G310 helixtrans-73.4-12.3174.5-86.4161.9000113.7A376 I377L374-A376 PolarHBondContact O-N 3.1Å; L374-I377 HydrophobicContact CD2-CD1 3.7Å; L374-I377 PolarHBondContact O-N 2.8Å
375D32.7Very low29.7Very low168 Ų16898.1 Ų98.190%0.89856%0.561SS**G310 helixtrans-73.1-8.6176-72.4-18.7000113.4D373 I377D373-D375 PolarHBondContact O-N 2.87Å; D375-I377 VanDerWaalsContact C-N 3.31Å
376A31Very low29.3Very low85 Ų8598.7 Ų98.770%0.70258%0.575SS**G310 helixtrans-82.5-4.9175.400000113.8L374 D378L374-A376 PolarHBondContact O-N 3.1Å; A376-D378 PolarHBondContact O-N 3.47Å
377I31.6Very low29Very low95 Ų9599.2 Ų99.249%0.48758%0.582SS.*SBendtrans-83.8102.4173.4-57.6-179.1000108.2L374 D375 P379L374-I377 HydrophobicContact CD2-CD1 3.7Å; L374-I377 PolarHBondContact O-N 2.8Å; D375-I377 VanDerWaalsContact C-N 3.31Å; I377-P379 WeakPolarHBondContact O-CD 3.11Å; I377-P379 VanDerWaalsContact O-N 3.08Å
378D28.6Very low28.8Very low96 Ų96101 Ų10151%0.51359%0.591SS.*  trans-50.2113.6167.1-174-20.7000109.5A376 S380 Y381A376-D378 PolarHBondContact O-N 3.47Å; D378-S380 PolarHBondContact O-N 2.64Å; D378-S380 VanDerWaalsContact OD1-CB 3.24Å; D378-S380 WeakPolarHBondContact OD1-CB 3.49Å; D378-S380 PolarHBondContact OD1-N 3.48Å; D378-S380 PolarHBondContact OD1-OG 3.36Å; D378-S380 PolarHBondContact OD2-OG 2.96Å; D378-S380 VanDerWaalsContact OD2-OG 3.14Å; D378-Y381 PolarHBondContact O-N 2.91Å; D378-Y381 VanDerWaalsContact O-N 3.14Å
379P26.6Very low28.7Very low95 Ų95103.7 Ų103.762%0.61761%0.609SS**THydrogen-bonded Turntrans-58.1-17.3-177.7-24.734000113.6I377 Y381 A382 V383I377-P379 WeakPolarHBondContact O-CD 3.11Å; I377-P379 VanDerWaalsContact O-N 3.08Å; P379-Y381 PolarHBondContact O-N 3.35Å; P379-A382 PolarHBondContact O-N 3.39Å; P379-V383 WeakPolarHBondContact O-CG2 3.12Å; P379-V383 PolarHBondContact O-N 3Å
380S28.7Very low28.6Very low61 Ų61105.5 Ų105.543%0.42761%0.613SS.*Hα-helixtrans-62-22.2177.165.80000113.8D378 A384D378-S380 PolarHBondContact O-N 2.64Å; D378-S380 VanDerWaalsContact OD1-CB 3.24Å; D378-S380 WeakPolarHBondContact OD1-CB 3.49Å; D378-S380 PolarHBondContact OD1-N 3.48Å; D378-S380 PolarHBondContact OD1-OG 3.36Å; D378-S380 PolarHBondContact OD2-OG 2.96Å; D378-S380 VanDerWaalsContact OD2-OG 3.14Å; S380-A384 PolarHBondContact O-N 3.34Å
381Y26.9Very low28.5Very low134 Ų134110.5 Ų110.553%0.52563%0.631SS.*Hα-helixtrans-75.1-28.4176.3-98.1-87.9000113.9K295 D378 P379K295-Y381 WeakPolarHBondContact CD-OH 3.4Å; K295-Y381 WeakPolarHBondContact CE-OH 3.22Å; K295-Y381 PolarHBondContact NZ-OH 3.04Å; K295-Y381 VanDerWaalsContact NZ-OH 3.14Å; D378-Y381 PolarHBondContact O-N 2.91Å; D378-Y381 VanDerWaalsContact O-N 3.14Å; P379-Y381 PolarHBondContact O-N 3.35Å
382A27.4Very low28.4Very low76 Ų76109.9 Ų109.963%0.62864%0.643SS**Hα-helixtrans-82.5-26.5173.500000112.1P379P379-A382 PolarHBondContact O-N 3.39Å
383V26.4Very low28.1Very low95 Ų95112.7 Ų112.758%0.57666%0.656SS**Hα-helixtrans-77.6-25.9178.3178.60000111.9P379 E385 A386 S387P379-V383 WeakPolarHBondContact O-CG2 3.12Å; P379-V383 PolarHBondContact O-N 3Å; V383-E385 VanDerWaalsContact C-N 3.32Å; V383-E385 PolarHBondContact O-N 3.47Å; V383-A386 PolarHBondContact O-N 3.32Å; V383-A386 VanDerWaalsContact O-N 3.12Å; V383-S387 PolarHBondContact O-OG 2.83Å
384A27.1Very low27.9Very low66 Ų66116.9 Ų116.955%0.54567%0.669SS.*THydrogen-bonded Turntrans-68.3-25.1179.100000114.2S380 S387S380-A384 PolarHBondContact O-N 3.34Å; A384-S387 PolarHBondContact O-OG 2.85Å; A384-S387 VanDerWaalsContact O-OG 3.06Å
385E27.1Very low27.9Very low168 Ų168119.6 Ų119.679%0.78569%0.689SS**THydrogen-bonded Turntrans-89.3-10.2171.4-87.8-173.9162.100113.6V383 S387V383-E385 VanDerWaalsContact C-N 3.32Å; V383-E385 PolarHBondContact O-N 3.47Å; E385-S387 VanDerWaalsContact C-N 3.33Å
386A28Very low27.6Very low74 Ų74114.8 Ų114.861%0.61268%0.679SS**G310 helixtrans-81.6-11.8173.400000113.1V383V383-A386 PolarHBondContact O-N 3.32Å; V383-A386 VanDerWaalsContact O-N 3.12Å
387S24.8Very low27.4Very low87 Ų87115.9 Ų115.961%0.60868%0.682SS**G310 helixtrans-91.77.5-174.431.40000116.4V383 A384 E385V383-S387 PolarHBondContact O-OG 2.83Å; A384-S387 PolarHBondContact O-OG 2.85Å; A384-S387 VanDerWaalsContact O-OG 3.06Å; E385-S387 VanDerWaalsContact C-N 3.33Å
388S27.5Very low27.1Very low100 Ų100120.3 Ų120.370%0.69970%0.701SS**G310 helixtrans-113.27.2178.3530000115.4S390S388-S390 VanDerWaalsContact C-N 3.32Å
389L28.4Very low27.1Very low165 Ų165122.1 Ų122.186%0.86472%0.715SS**  trans-89.912.9174-87161.3000114.4
390S25.9Very low27.2Very low94 Ų94124.4 Ų124.466%0.65772%0.722SS**SBendtrans-104.568.2171.965.40000111.3S388S388-S390 VanDerWaalsContact C-N 3.32Å
391Q25.6Very low27Very low183 Ų183131.3 Ų131.386%0.85574%0.744SS**  trans173.889.7152.8-98.1161.223.900110.8
392T30.4Very low26.9Very low136 Ų136130.9 Ų130.983%0.83476%0.756SS**  trans17772.1147.921.80000105.2
393E26.4Very low26.9Very low178 Ų178138.1 Ų138.183%0.83277%0.767SS**  52.796.8107.4-78.2-171.6143.500112.4
394K27.5Very low26.8Very low200 Ų200139.7 Ų139.787%0.8778%0.782SS**  46.189.8100.6-80.2-173.3175.5177.60112.7
395V27.8Very low26.6Very low155 Ų155141 Ų14194%0.93978%0.783SS**  trans-160.4126.9134-178.90000108.6
396G25.5Very low26.6Very low67 Ų67138.3 Ų138.369%0.69177%0.77SS**  trans109.273.6140.800000120.2
397S26.9Very low26.5Very low108 Ų108140.4 Ų140.476%0.75578%0.779SS**  trans46.5113142.866.60000122.4
398E26Very low26.5Very low188 Ų188141 Ų14188%0.87978%0.784SS**  48.1104.3128.6-64.8-177.3152.700119.6
399V28.4Very low26.5Very low134 Ų134139.7 Ų139.781%0.81277%0.771SS**  -165134.8117.7168.60000109
400D27.9Very low26.4Very low143 Ų143140 Ų14077%0.76576%0.761SS**  trans74.791165.6-77-18.8000122.5T402D400-T402 PolarHBondContact O-N 3.18Å
401K24.9Very low26.3Very low207 Ų207143.9 Ų143.990%0.976%0.762SS**  trans-66.6103.9145.1-68.8173.3177.9173.90109.2
402T25.4Very low26.4Very low124 Ų124137.4 Ų137.476%0.76174%0.741SS**  trans173.383.3148.129.60000110.6D400D400-T402 PolarHBondContact O-N 3.18Å
403R26.7Very low26.3Very low229 Ų229137.3 Ų137.386%0.86473%0.73SS**  trans-172.562.6152.7-107.5169.9-173.7-179.92.6110.6V405R403-V405 HydrophobicContact CG-CB 4.35Å; R403-V405 HydrophobicContact CG-CG2 4.28Å; R403-V405 PolarHBondContact O-N 3.34Å
404S24.2Very low26.3Very low128 Ų128134.6 Ų134.690%0.89572%0.716SS**  trans-82.373.5150.758.70000107
405V23.9Very low26.3Very low94 Ų94131.5 Ų131.557%0.5771%0.705SS**  trans-134.3123.6-173.6177.10000109.1R403R403-V405 HydrophobicContact CG-CB 4.35Å; R403-V405 HydrophobicContact CG-CG2 4.28Å; R403-V405 PolarHBondContact O-N 3.34Å
406E26.7Very low26.3Very low110 Ų110129.6 Ų129.651%0.51469%0.69SS.*SBendtrans76.752.7153.2-74.7168-17800120.6T409E406-T409 VanDerWaalsContact CG-OG1 3.3Å; E406-T409 WeakPolarHBondContact CG-OG1 3.31Å
407C25Very low26.4Very low118 Ų118131 Ų13180%0.79768%0.684SS**SBendtrans-103.8-25.3150-86.90000113.3
408S25.5Very low26.5Very low101 Ų101129 Ų12971%0.70667%0.667SS**Hα-helixtrans-86.8-26.6-178.360.80000114.5A412S408-A412 PolarHBondContact O-N 2.94Å
409T26.5Very low26.5Very low71 Ų71122.3 Ų122.344%0.43665%0.645SS.*Hα-helixtrans-77-31.6-179.714.50000113.3E406 A412 E413E406-T409 VanDerWaalsContact CG-OG1 3.3Å; E406-T409 WeakPolarHBondContact CG-OG1 3.31Å; T409-A412 PolarHBondContact O-N 3.31Å; T409-E413 PolarHBondContact O-N 2.86Å; T409-E413 VanDerWaalsContact O-N 3.1Å
410R26.9Very low26.4Very low172 Ų172122.3 Ų122.365%0.64964%0.635SS**Hα-helixtrans-71.6-28.6176-72.2-174.1-173.71763.7113.3F414R410-F414 WeakPolarHBondContact O-CB 3.45Å; R410-F414 PolarHBondContact O-N 3.35Å; R410-F414 VanDerWaalsContact O-N 3.09Å
411Y25Very low26.3Very low175 Ų175121.5 Ų121.569%0.68663%0.625SS**Hα-helixtrans-72.3-38.8173.6-109.3-85.9000112F414 E415Y411-F414 PolarHBondContact O-N 2.84Å; Y411-E415 PolarHBondContact O-N 3.34Å
412A27Very low26.4Very low48 Ų48114.2 Ų114.240%0.39760%0.6SS.*Hα-helixtrans-70.5-32.2176.300000113.3S408 T409 N416S408-A412 PolarHBondContact O-N 2.94Å; T409-A412 PolarHBondContact O-N 3.31Å; A412-N416 PolarHBondContact O-N 3.47Å; A412-N416 VanDerWaalsContact O-N 3.11Å; A412-N416 PolarHBondContact O-ND2 3.21Å
413E28Very low26.5Very low133 Ų133114.7 Ų114.762%0.62159%0.594SS**Hα-helixtrans-69.9-35.8169.8-75.6-179.2163.800112.1T409 N416 V417T409-E413 PolarHBondContact O-N 2.86Å; T409-E413 VanDerWaalsContact O-N 3.1Å; E413-N416 PolarHBondContact O-N 2.94Å; E413-V417 WeakPolarHBondContact O-CG2 3.43Å; E413-V417 PolarHBondContact O-N 3.36Å
414F27.2Very low26.5Very low121 Ų121107.8 Ų107.853%0.53157%0.574SS.*Hα-helixtrans-67.1-43.1173.7-167.7-97.3000111.9R410 Y411 N416 V417 V418R410-F414 WeakPolarHBondContact O-CB 3.45Å; R410-F414 PolarHBondContact O-N 3.35Å; R410-F414 VanDerWaalsContact O-N 3.09Å; Y411-F414 PolarHBondContact O-N 2.84Å; F414-N416 VanDerWaalsContact C-N 3.34Å; F414-N416 PolarHBondContact O-N 3.43Å; F414-V417 PolarHBondContact O-N 3.34Å; F414-V418 HydrophobicContact CD1-CG2 4.08Å; F414-V418 HydrophobicContact CE1-CG2 3.94Å; F414-V418 HydrophobicContact CZ-CG2 4.46Å; F414-V418 WeakPolarHBondContact O-CB 3.35Å; F414-V418 VanDerWaalsContact O-CG2 3.24Å; F414-V418 WeakPolarHBondContact O-CG2 3.25Å; F414-V418 PolarHBondContact O-N 3.46Å
415E26.5Very low26.6Very low135 Ų135105 Ų10563%0.63155%0.548SS*.Hα-helixtrans-60.5-39.7172.9-81.1-171.6157.600112.5Y411 V418 A419Y411-E415 PolarHBondContact O-N 3.34Å; E415-V418 PolarHBondContact O-N 2.87Å; E415-A419 WeakPolarHBondContact O-CB 3.36Å; E415-A419 PolarHBondContact O-N 3.23Å
416N28.5Very low26.8Very low116 Ų116104.1 Ų104.162%0.6255%0.55SS**Hα-helixtrans-69.1-33.8176.5-88.5-34.6000113.2A412 E413 F414 H420A412-N416 PolarHBondContact O-N 3.47Å; A412-N416 VanDerWaalsContact O-N 3.11Å; A412-N416 PolarHBondContact O-ND2 3.21Å; E413-N416 PolarHBondContact O-N 2.94Å; F414-N416 VanDerWaalsContact C-N 3.34Å; F414-N416 PolarHBondContact O-N 3.43Å; N416-H420 WeakPolarHBondContact O-CB 3.47Å; N416-H420 PolarHBondContact O-N 2.89Å; N416-H420 VanDerWaalsContact O-N 3.08Å
417V28.3Very low26.7Very low95 Ų95105.5 Ų105.558%0.57656%0.557SS**Hα-helixtrans-70.8-37173.5171.80000111.2E413 F414 H420 K421E413-V417 WeakPolarHBondContact O-CG2 3.43Å; E413-V417 PolarHBondContact O-N 3.36Å; F414-V417 PolarHBondContact O-N 3.34Å; V417-H420 PolarHBondContact O-N 2.95Å; V417-K421 PolarHBondContact O-N 3.36Å; V417-K421 VanDerWaalsContact O-N 3.11Å
418V27.9Very low26.7Very low66 Ų66104.9 Ų104.940%0.455%0.545SS..Hα-helixtrans-66.6-42.5174.4170.90000111.1F414 E415 H420 K421 S422F414-V418 HydrophobicContact CD1-CG2 4.08Å; F414-V418 HydrophobicContact CE1-CG2 3.94Å; F414-V418 HydrophobicContact CZ-CG2 4.46Å; F414-V418 WeakPolarHBondContact O-CB 3.35Å; F414-V418 VanDerWaalsContact O-CG2 3.24Å; F414-V418 WeakPolarHBondContact O-CG2 3.25Å; F414-V418 PolarHBondContact O-N 3.46Å; E415-V418 PolarHBondContact O-N 2.87Å; V418-H420 VanDerWaalsContact C-N 3.31Å; V418-H420 PolarHBondContact O-N 2.84Å; V418-K421 PolarHBondContact O-N 2.99Å; V418-S422 PolarHBondContact O-N 2.68Å; V418-S422 PolarHBondContact O-OG 3.36Å
419A26.7Very low26.9Very low49 Ų49102.2 Ų102.241%0.40553%0.525SS..Hα-helixtrans-64.8-31.8174.900000113.2E415 S422E415-A419 WeakPolarHBondContact O-CB 3.36Å; E415-A419 PolarHBondContact O-N 3.23Å; A419-S422 PolarHBondContact O-OG 3.18Å; A419-S422 VanDerWaalsContact O-OG 3.09Å
420H26.2Very low27Very low133 Ų133102.1 Ų102.162%0.61652%0.522SS*.Hα-helixtrans-79.4-23.6177.5-150-45.8000113N416 V417 V418N416-H420 WeakPolarHBondContact O-CB 3.47Å; N416-H420 PolarHBondContact O-N 2.89Å; N416-H420 VanDerWaalsContact O-N 3.08Å; V417-H420 PolarHBondContact O-N 2.95Å; V418-H420 VanDerWaalsContact C-N 3.31Å; V418-H420 PolarHBondContact O-N 2.84Å
421K26.3Very low26.9Very low127 Ų127102.3 Ų102.355%0.55253%0.527SS*.Hα-helixtrans-87.5-35178.3-122.2178.2-179.5-179.50113V417 V418 Q423 L424 I425V417-K421 PolarHBondContact O-N 3.36Å; V417-K421 VanDerWaalsContact O-N 3.11Å; V418-K421 PolarHBondContact O-N 2.99Å; K421-Q423 PolarHBondContact O-N 3.28Å; K421-L424 WeakPolarHBondContact O-CA 3.47Å; K421-L424 WeakPolarHBondContact O-CB 3.39Å; K421-L424 PolarHBondContact O-N 3.22Å; K421-I425 WeakPolarHBondContact O-CD1 3.49Å; K421-I425 WeakPolarHBondContact O-CG1 3.2Å; K421-I425 PolarHBondContact O-N 3.1Å; K421-I425 VanDerWaalsContact O-N 3.08Å
422S26.8Very low27Very low54 Ų5496.2 Ų96.238%0.37851%0.513SS..Hα-helixtrans-60.6-31.2174.762.30000112.2V418 A419 A426V418-S422 PolarHBondContact O-N 2.68Å; V418-S422 PolarHBondContact O-OG 3.36Å; A419-S422 PolarHBondContact O-OG 3.18Å; A419-S422 VanDerWaalsContact O-OG 3.09Å; S422-A426 PolarHBondContact O-N 3.23Å
423Q26.7Very low27.1Very low134 Ų13499.3 Ų99.363%0.62652%0.522SS*.Hα-helixtrans-69-29.1170.6-70.6-175.8-4.100113.6K421 H427K421-Q423 PolarHBondContact O-N 3.28Å; Q423-H427 PolarHBondContact O-CD2 3.14Å
424L26.1Very low27.2Very low84 Ų8498 Ų9844%0.4452%0.516SS..Hα-helixtrans-80.9-30.3179-102.1144.4000113.1K421 H427 M449K421-L424 WeakPolarHBondContact O-CA 3.47Å; K421-L424 WeakPolarHBondContact O-CB 3.39Å; K421-L424 PolarHBondContact O-N 3.22Å; L424-H427 PolarHBondContact O-N 3.13Å; L424-M449 HydrophobicContact CD2-CE 4.11Å
425I26.7Very low27Very low70 Ų7095.2 Ų95.236%0.35951%0.511SS..Hα-helixtrans-81.1-29.8-177.7-64.8157.6000111.3Y371 K421 H427Y371-I425 HydrophobicContact CE1-CD1 3.6Å; Y371-I425 HydrophobicContact CE1-CG1 4.44Å; Y371-I425 HydrophobicContact CE1-CG2 4.07Å; Y371-I425 HydrophobicContact CE2-CD1 4.4Å; Y371-I425 WeakPolarHBondContact OH-CD1 3.36Å; Y371-I425 WeakPolarHBondContact OH-CG1 3.45Å; Y371-I425 WeakPolarHBondContact OH-CG2 3.48Å; K421-I425 WeakPolarHBondContact O-CD1 3.49Å; K421-I425 WeakPolarHBondContact O-CG1 3.2Å; K421-I425 PolarHBondContact O-N 3.1Å; K421-I425 VanDerWaalsContact O-N 3.08Å; I425-H427 PolarHBondContact O-N 3.29Å
426A27.7Very low27Very low75 Ų7593 Ų9362%0.6253%0.525SS*.THydrogen-bonded Turntrans-63.7-16.1170.200000113.3S422S422-A426 PolarHBondContact O-N 3.23Å
427H24.6Very low27Very low139 Ų13995.5 Ų95.564%0.64453%0.533SS*.THydrogen-bonded Turntrans-120.515-167.2-71.4-47.7000117.1Q423 L424 I425Q423-H427 PolarHBondContact O-CD2 3.14Å; L424-H427 PolarHBondContact O-N 3.13Å; I425-H427 PolarHBondContact O-N 3.29Å
428L26.8Very low27.5Very low105 Ų10596.6 Ų96.655%0.5554%0.536SS..SBendtrans-99.6140.8170-112.5104.9000114.4L430 M449L428-L430 PolarHBondContact O-N 3.09Å; L428-M449 HydrophobicContact CD1-CE 3.98Å; L428-M449 HydrophobicContact CD1-SD 4.48Å
429P29Very low27.8Very low45 Ų4598.5 Ų98.529%0.29254%0.538SS..THydrogen-bonded Turn-98.740.2-126.539-40.4000114.7A432 L433 L442P429-A432 HydrophobicContact CB-CB 4.3Å; P429-L433 WeakPolarHBondContact O-CD1 3.39Å; P429-L433 WeakPolarHBondContact O-CG 3.45Å; P429-L433 PolarHBondContact O-N 3.11Å; P429-L442 HydrophobicContact CB-CD1 3.24Å; P429-L442 HydrophobicContact CG-CD1 4.11Å
430L27.5Very low28.4Very low69 Ų69101.5 Ų101.536%0.36155%0.548SS..Hα-helixtrans-96.3-20.6176.2-93.5134.9000112.8K58 L428 A432 L433 E434K58-L430 HydrophobicContact CD-CB 4.06Å; K58-L430 HydrophobicContact CD-CD1 3.72Å; K58-L430 HydrophobicContact CD-CD2 4.3Å; K58-L430 HydrophobicContact CD-CG 4.18Å; K58-L430 HydrophobicContact CG-CB 4.14Å; K58-L430 HydrophobicContact CG-CD1 4.06Å; K58-L430 HydrophobicContact CG-CD2 3.7Å; K58-L430 HydrophobicContact CG-CG 4.13Å; L428-L430 PolarHBondContact O-N 3.09Å; L430-A432 VanDerWaalsContact C-N 3.34Å; L430-L433 HydrophobicContact CD2-CD1 4.48Å; L430-L433 HydrophobicContact CG-CD1 4.34Å; L430-E434 WeakPolarHBondContact O-CG 3.41Å; L430-E434 PolarHBondContact O-N 2.78Å
431K26.3Very low29.1Very low176 Ų17697.8 Ų97.877%0.76554%0.54SS*.Hα-helixtrans-67.5-37.5159.5-87.1-177.8175.4174.90111L433 E434 S435K431-L433 VanDerWaalsContact C-N 3.34Å; K431-L433 PolarHBondContact O-N 3.46Å; K431-E434 PolarHBondContact O-N 3.05Å; K431-S435 PolarHBondContact O-N 3.31Å; K431-S435 PolarHBondContact O-OG 3.35Å
432A27.3Very low29.7Very low47 Ų4794.1 Ų94.139%0.38853%0.526SS..Hα-helixtrans-72.1-21.8176.600000114.4P429 L430 S435P429-A432 HydrophobicContact CB-CB 4.3Å; L430-A432 VanDerWaalsContact C-N 3.34Å; A432-S435 VanDerWaalsContact O-O 3.04Å
433L28.1Very low30.4Very low113 Ų11393.4 Ų93.459%0.59252%0.518SS*.Hα-helixtrans-79.9-25.8169.7-83.4160.2000112.7P429 L430 K431P429-L433 WeakPolarHBondContact O-CD1 3.39Å; P429-L433 WeakPolarHBondContact O-CG 3.45Å; P429-L433 PolarHBondContact O-N 3.11Å; L430-L433 HydrophobicContact CD2-CD1 4.48Å; L430-L433 HydrophobicContact CG-CD1 4.34Å; K431-L433 VanDerWaalsContact C-N 3.34Å; K431-L433 PolarHBondContact O-N 3.46Å
434E29.4Very low31.3Very low104 Ų10489.5 Ų89.549%0.48651%0.509SS..Hα-helixtrans-89.3-31.1178.4-75.2179.7176.600112.8R57 L430 K431R57-E434 PolarHBondContact N-OE1 3.16Å; L430-E434 WeakPolarHBondContact O-CG 3.41Å; L430-E434 PolarHBondContact O-N 2.78Å; K431-E434 PolarHBondContact O-N 3.05Å
435S24.8Very low32.2Very low63 Ų6388.2 Ų88.244%0.44150%0.504SS..SBendtrans-101.7107.1172.961.30000109K431 A432 E437K431-S435 PolarHBondContact O-N 3.31Å; K431-S435 PolarHBondContact O-OG 3.35Å; A432-S435 VanDerWaalsContact O-O 3.04Å; S435-E437 PolarHBondContact O-N 3.23Å
436G26Very low32.8Very low88 Ų8888.4 Ų88.491%0.90751%0.506SS*.  trans-65.347-17700000116.2
437E27.7Very low33.7Very low169 Ų16986 Ų8679%0.7948%0.483SS*.  trans-121.3129.5179.8-70.3-169164.100113S435S435-E437 PolarHBondContact O-N 3.23Å
438N39.7Very low34.8Very low119 Ų11983.3 Ų83.364%0.63647%0.473SS*.  trans50.681.2169.5-100.8-18.5000119.7D440 A441N438-D440 PolarHBondContact O-N 3.18Å; N438-A441 HydrophobicContact CB-CB 4.35Å; N438-A441 WeakPolarHBondContact O-CB 3.19Å; N438-A441 PolarHBondContact O-N 3.08Å
439F34.6Very low35.4Very low105 Ų10582.6 Ų82.646%0.46147%0.468SS..Hα-helixtrans-50.2-33.7165.9-176.5-101.9000114A441 L442 L443 F477F439-A441 VanDerWaalsContact C-N 3.29Å; F439-A441 PolarHBondContact O-N 3.24Å; F439-L442 PolarHBondContact O-N 3.03Å; F439-L443 PolarHBondContact O-N 2.93Å; F439-F477 HydrophobicContact CE1-CD1 4.27Å; F439-F477 HydrophobicContact CE1-CD2 4.34Å; F439-F477 HydrophobicContact CE1-CG 4.15Å; F439-F477 HydrophobicContact CE2-CE1 4.13Å; F439-F477 HydrophobicContact CE2-CZ 4.29Å; F439-F477 AromaticContact CZ-CD1 3.65Å; F439-F477 HydrophobicContact CZ-CD1 3.65Å; F439-F477 AromaticContact CZ-CD2 3.92Å; F439-F477 HydrophobicContact CZ-CD2 3.92Å; F439-F477 AromaticContact CZ-CE1 3.58Å; F439-F477 HydrophobicContact CZ-CE1 3.58Å; F439-F477 AromaticContact CZ-CE2 3.87Å; F439-F477 HydrophobicContact CZ-CE2 3.87Å; F439-F477 AromaticContact CZ-CG 3.84Å; F439-F477 HydrophobicContact CZ-CG 3.84Å; F439-F477 AromaticContact CZ-CZ 3.7Å; F439-F477 HydrophobicContact CZ-CZ 3.7Å
440D37.4Very low36Very low113 Ų11382.9 Ų82.960%0.60447%0.467SS*.Hα-helixtrans-64.9-32.2176.8-69.4-29.4000112.7N438 A444N438-D440 PolarHBondContact O-N 3.18Å; D440-A444 VanDerWaalsContact O-CB 3.29Å; D440-A444 WeakPolarHBondContact O-CB 3.29Å; D440-A444 PolarHBondContact O-N 3.42Å
441A42.3Very low36.8Very low55 Ų5583.3 Ų83.346%0.45547%0.467SS..Hα-helixtrans-70.1-40.9175.700000110.9N438 F439 A444 T445N438-A441 HydrophobicContact CB-CB 4.35Å; N438-A441 WeakPolarHBondContact O-CB 3.19Å; N438-A441 PolarHBondContact O-N 3.08Å; F439-A441 VanDerWaalsContact C-N 3.29Å; F439-A441 PolarHBondContact O-N 3.24Å; A441-A444 PolarHBondContact O-N 3.43Å; A441-T445 PolarHBondContact O-N 3.29Å; A441-T445 PolarHBondContact O-OG1 3.23Å
442L39.3Very low37.5Very low50 Ų5081.8 Ų81.826%0.26246%0.463SS..Hα-helixtrans-64.4-43.9177.7-173.174.7000111.9P429 F439 A444 T445 I446P429-L442 HydrophobicContact CB-CD1 3.24Å; P429-L442 HydrophobicContact CG-CD1 4.11Å; F439-L442 PolarHBondContact O-N 3.03Å; L442-A444 VanDerWaalsContact C-N 3.34Å; L442-T445 PolarHBondContact O-N 3.38Å; L442-I446 HydrophobicContact CG-CD1 4.3Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 2.9Å
443L40.6Very low38Very low38 Ų3880.7 Ų80.720%0.19946%0.456CS..Hα-helixtrans-64.5-40.8176.6-167.171.9000111F439 I446 V447 L474F439-L443 PolarHBondContact O-N 2.93Å; L443-I446 PolarHBondContact O-N 3.04Å; L443-V447 WeakPolarHBondContact O-CB 3.47Å; L443-V447 VanDerWaalsContact O-CG2 3.25Å; L443-V447 WeakPolarHBondContact O-CG2 3.23Å; L443-V447 PolarHBondContact O-N 2.85Å; L443-L474 HydrophobicContact CD2-CD1 4.35Å
444A46.7Very low38.4Very low53 Ų5381.4 Ų81.444%0.43846%0.46SS..Hα-helixtrans-63.9-38.3174.200000112.4D440 A441 L442 N448D440-A444 VanDerWaalsContact O-CB 3.29Å; D440-A444 WeakPolarHBondContact O-CB 3.29Å; D440-A444 PolarHBondContact O-N 3.42Å; A441-A444 PolarHBondContact O-N 3.43Å; L442-A444 VanDerWaalsContact C-N 3.34Å; A444-N448 WeakPolarHBondContact O-CB 3.38Å; A444-N448 PolarHBondContact O-N 3.02Å
445T43.9Very low38.7Very low56 Ų5684.9 Ų84.934%0.34448%0.476SS..Hα-helixtrans-66.3-44.2176.7-50.20000112A441 L442 N448 M449A441-T445 PolarHBondContact O-N 3.29Å; A441-T445 PolarHBondContact O-OG1 3.23Å; L442-T445 PolarHBondContact O-N 3.38Å; T445-N448 PolarHBondContact O-N 3Å; T445-M449 WeakPolarHBondContact O-CG 3.18Å; T445-M449 PolarHBondContact O-N 2.81Å
446I39.9Very low39.2Very low75 Ų7583.5 Ų83.539%0.38546%0.464SS..Hα-helixtrans-63.6-44.3178-67.6168.3000110.5L442 L443 N448 M449 I450L442-I446 HydrophobicContact CG-CD1 4.3Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 2.9Å; L443-I446 PolarHBondContact O-N 3.04Å; I446-N448 VanDerWaalsContact C-N 3.35Å; I446-N448 PolarHBondContact O-N 3.2Å; I446-M449 PolarHBondContact O-N 3.36Å; I446-I450 HydrophobicContact CG2-CD1 4.08Å; I446-I450 WeakPolarHBondContact O-CG1 3.45Å; I446-I450 PolarHBondContact O-N 3.19Å; I446-I450 VanDerWaalsContact O-N 3.08Å
447V45.5Very low39.8Very low25 Ų2585.6 Ų85.615%0.15245%0.448CS..Hα-helixtrans-62.1-42.2175.6170.60000111.1L443 I450 E451 K470L443-V447 WeakPolarHBondContact O-CB 3.47Å; L443-V447 VanDerWaalsContact O-CG2 3.25Å; L443-V447 WeakPolarHBondContact O-CG2 3.23Å; L443-V447 PolarHBondContact O-N 2.85Å; V447-I450 PolarHBondContact O-N 3.33Å; V447-E451 HydrophobicContact CG1-CG 4.43Å; V447-E451 WeakPolarHBondContact CG1-OE1 3.38Å; V447-E451 WeakPolarHBondContact O-CB 3.38Å; V447-E451 WeakPolarHBondContact O-CG 3.48Å; V447-E451 PolarHBondContact O-N 2.99Å; V447-K470 HydrophobicContact CG1-CD 4.46Å
448N47.6Very low40.3Very low81 Ų8186.4 Ų86.443%0.43345%0.449SS..Hα-helixtrans-64.6-38.7175.2-105.8-18.5000112.9A444 T445 I446 I450 E451 Q452A444-N448 WeakPolarHBondContact O-CB 3.38Å; A444-N448 PolarHBondContact O-N 3.02Å; T445-N448 PolarHBondContact O-N 3Å; I446-N448 VanDerWaalsContact C-N 3.35Å; I446-N448 PolarHBondContact O-N 3.2Å; N448-I450 VanDerWaalsContact C-N 3.28Å; N448-I450 PolarHBondContact O-N 3.46Å; N448-E451 PolarHBondContact O-N 3.46Å; N448-Q452 WeakPolarHBondContact O-CB 3.05Å; N448-Q452 VanDerWaalsContact O-CG 3.28Å; N448-Q452 WeakPolarHBondContact O-CG 3.49Å; N448-Q452 PolarHBondContact O-N 2.67Å
449M41Very low40.2Very low90 Ų9089 Ų8944%0.44346%0.455SS..Hα-helixtrans-65.1-34.5177-74.1-175.889.200111.9L424 L428 T445 I446 G453L424-M449 HydrophobicContact CD2-CE 4.11Å; L428-M449 HydrophobicContact CD1-CE 3.98Å; L428-M449 HydrophobicContact CD1-SD 4.48Å; T445-M449 WeakPolarHBondContact O-CG 3.18Å; T445-M449 PolarHBondContact O-N 2.81Å; I446-M449 PolarHBondContact O-N 3.36Å; M449-G453 PolarHBondContact O-N 3.26Å
450I40.2Very low40.3Very low51 Ų5186.6 Ų86.626%0.26244%0.442SS..Hα-helixtrans-70.2-41.2172.5-66.7168.1000110.5I446 V447 N448 W460I446-I450 HydrophobicContact CG2-CD1 4.08Å; I446-I450 WeakPolarHBondContact O-CG1 3.45Å; I446-I450 PolarHBondContact O-N 3.19Å; I446-I450 VanDerWaalsContact O-N 3.08Å; V447-I450 PolarHBondContact O-N 3.33Å; N448-I450 VanDerWaalsContact C-N 3.28Å; N448-I450 PolarHBondContact O-N 3.46Å; I450-W460 HydrophobicContact CG2-CE3 3.57Å; I450-W460 HydrophobicContact CG2-CH2 4.14Å; I450-W460 HydrophobicContact CG2-CZ3 3.38Å
451E44.3Very low40.3Very low78 Ų7885.5 Ų85.536%0.36444%0.444SS..Hα-helixtrans-71.9-26.5-179.6-75.2176.9-172.500114V447 N448 K470V447-E451 HydrophobicContact CG1-CG 4.43Å; V447-E451 WeakPolarHBondContact CG1-OE1 3.38Å; V447-E451 WeakPolarHBondContact O-CB 3.38Å; V447-E451 WeakPolarHBondContact O-CG 3.48Å; V447-E451 PolarHBondContact O-N 2.99Å; N448-E451 PolarHBondContact O-N 3.46Å; E451-K470 IonicContact OE1-NZ 2.75Å
452Q41.9Very low40.3Very low144 Ų14485.2 Ų85.267%0.67344%0.438SS*.Hα-helixtrans-89.1-13.2-179.8-71.5-176.23.800114.4N448 N454N448-Q452 WeakPolarHBondContact O-CB 3.05Å; N448-Q452 VanDerWaalsContact O-CG 3.28Å; N448-Q452 WeakPolarHBondContact O-CG 3.49Å; N448-Q452 PolarHBondContact O-N 2.67Å; Q452-N454 PolarHBondContact O-N 3.48Å; Q452-N454 VanDerWaalsContact O-N 3.08Å
453G36.8Very low40.3Very low25 Ų2589.6 Ų89.626%0.25846%0.462SS..  trans-71.599.3172.200000111.5M449 H455 L456 K457M449-G453 PolarHBondContact O-N 3.26Å; G453-H455 PolarHBondContact O-N 3.36Å; G453-L456 WeakPolarHBondContact O-CA 3.39Å; G453-L456 WeakPolarHBondContact O-CB 3.35Å; G453-L456 PolarHBondContact O-N 3.12Å; G453-K457 PolarHBondContact O-N 3.28Å
454N36.3Very low40.3Very low127 Ų12791.3 Ų91.368%0.67948%0.477SS*.Hα-helixtrans-55.5-24.8-179.6-81.5-25.1000114.3Q452Q452-N454 PolarHBondContact O-N 3.48Å; Q452-N454 VanDerWaalsContact O-N 3.08Å
455H37.5Very low39.9Very low177 Ų17793.7 Ų93.782%0.81948%0.482SS*.Hα-helixtrans-79.1-28.1173.2-73.7-79.6000113.9G453G453-H455 PolarHBondContact O-N 3.36Å
456L34.4Very low39.6Very low34 Ų3492.9 Ų92.918%0.17848%0.477CS..Hα-helixtrans-77.8-37.8174.7-69.6165.6000110.4G453 K458 K459 W460G453-L456 WeakPolarHBondContact O-CA 3.39Å; G453-L456 WeakPolarHBondContact O-CB 3.35Å; G453-L456 PolarHBondContact O-N 3.12Å; L456-K458 PolarHBondContact O-N 3.5Å; L456-K458 VanDerWaalsContact O-N 3.16Å; L456-K459 PolarHBondContact O-N 2.88Å; L456-W460 HydrophobicContact CD2-CZ2 4.37Å; L456-W460 WeakPolarHBondContact O-CB 3.38Å; L456-W460 PolarHBondContact O-N 3.23Å
457K38Very low39.8Very low132 Ų13292 Ų9257%0.57448%0.481SS*.Hα-helixtrans-55.8-32.4176.6-121.9177.5-174.5172.60114.4G453 S461G453-K457 PolarHBondContact O-N 3.28Å; K457-S461 WeakPolarHBondContact O-CB 3.45Å; K457-S461 PolarHBondContact O-N 3.27Å
458K39.8Very low39.7Very low187 Ų18796.6 Ų96.681%0.81350%0.501SS*.Hα-helixtrans-80.7-26.9176.9-89.4-175.4174.31780114.3L456 S461L456-K458 PolarHBondContact O-N 3.5Å; L456-K458 VanDerWaalsContact O-N 3.16Å; K458-S461 PolarHBondContact O-OG 3.04Å
459K37.3Very low39.3Very low173 Ų17393.7 Ų93.775%0.75249%0.488SS*.Hα-helixtrans-93.8-22.9177.6-111.3-175.9174.6-177.70112.7L456L456-K459 PolarHBondContact O-N 2.88Å
460W36.6Very low39.3Very low54 Ų5493.5 Ų93.521%0.20549%0.485CS..SBendtrans-106.813-175.1-67.533.5000112.1I450 L456 S462 V466I450-W460 HydrophobicContact CG2-CE3 3.57Å; I450-W460 HydrophobicContact CG2-CH2 4.14Å; I450-W460 HydrophobicContact CG2-CZ3 3.38Å; L456-W460 HydrophobicContact CD2-CZ2 4.37Å; L456-W460 WeakPolarHBondContact O-CB 3.38Å; L456-W460 PolarHBondContact O-N 3.23Å; W460-S462 PolarHBondContact O-N 3.32Å; W460-S462 VanDerWaalsContact O-N 3.11Å; W460-V466 HydrophobicContact CB-CG2 3.93Å; W460-V466 HydrophobicContact CE3-CG2 3.97Å; W460-V466 WeakPolarHBondContact O-CG2 3.41Å
461S36.6Very low39.5Very low90 Ų9097.8 Ų97.863%0.62950%0.502SS*.  trans-67.8-3.6-177.851.30000115.2K457 K458 D463K457-S461 WeakPolarHBondContact O-CB 3.45Å; K457-S461 PolarHBondContact O-N 3.27Å; K458-S461 PolarHBondContact O-OG 3.04Å; S461-D463 PolarHBondContact O-N 2.92Å
462S41.7Very low39.4Very low49 Ų4996.3 Ų96.334%0.34350%0.498SS..SBendtrans-81.7107.8165.275.60000108W460 S464 L465W460-S462 PolarHBondContact O-N 3.32Å; W460-S462 VanDerWaalsContact O-N 3.11Å; S462-S464 PolarHBondContact O-N 3.19Å; S462-S464 PolarHBondContact OG-OG 2.98Å; S462-L465 PolarHBondContact O-N 3.49Å
463D39.1Very low39.3Very low142 Ų14291.6 Ų91.676%0.75948%0.477SS*.Hα-helixtrans-47.6-24.2175.8-73.4-36.9000112.9S461 A467S461-D463 PolarHBondContact O-N 2.92Å; D463-A467 WeakPolarHBondContact O-CB 3.5Å; D463-A467 PolarHBondContact O-N 3.48Å
464S41.5Very low39.3Very low74 Ų7494.5 Ų94.552%0.51749%0.486SS..Hα-helixtrans-62.9-43175.777.70000115S462 Q468S462-S464 PolarHBondContact O-N 3.19Å; S462-S464 PolarHBondContact OG-OG 2.98Å; S464-Q468 WeakPolarHBondContact O-CB 3.16Å; S464-Q468 PolarHBondContact O-N 3.29Å
465L37.8Very low39.4Very low104 Ų10491.5 Ų91.555%0.54547%0.47SS..Hα-helixtrans-79.6-35.5-174.1-98.9157.1000112.2S462 Q468 A469S462-L465 PolarHBondContact O-N 3.49Å; L465-Q468 PolarHBondContact O-N 2.89Å; L465-A469 VanDerWaalsContact O-CB 3.26Å; L465-A469 WeakPolarHBondContact O-CB 3.31Å; L465-A469 PolarHBondContact O-N 3.34Å
466V38.9Very low39.3Very low39 Ų3984.2 Ų84.224%0.23644%0.436CS..Hα-helixtrans-70.5-45172.7-177.40000110.1W460 Q468 A469 K470W460-V466 HydrophobicContact CB-CG2 3.93Å; W460-V466 HydrophobicContact CE3-CG2 3.97Å; W460-V466 WeakPolarHBondContact O-CG2 3.41Å; V466-Q468 VanDerWaalsContact C-N 3.28Å; V466-Q468 PolarHBondContact O-N 3.5Å; V466-A469 PolarHBondContact O-N 3.46Å; V466-K470 WeakPolarHBondContact O-CB 3.47Å; V466-K470 PolarHBondContact O-N 2.95Å
467A43.4Very low39.2Very low57 Ų5785.7 Ų85.747%0.47144%0.441SS..Hα-helixtrans-62.7-36.3173.800000111.7D463 K471D463-A467 WeakPolarHBondContact O-CB 3.5Å; D463-A467 PolarHBondContact O-N 3.48Å; A467-K471 WeakPolarHBondContact O-CA 3.32Å; A467-K471 WeakPolarHBondContact O-CB 3.04Å; A467-K471 PolarHBondContact O-N 3.4Å
468Q42.9Very low39Very low120 Ų12085.9 Ų85.956%0.56145%0.448SS*.Hα-helixtrans-73.7-41.8177.1-169.1165.38.100112.1S464 L465 V466 K471 T472S464-Q468 WeakPolarHBondContact O-CB 3.16Å; S464-Q468 PolarHBondContact O-N 3.29Å; L465-Q468 PolarHBondContact O-N 2.89Å; V466-Q468 VanDerWaalsContact C-N 3.28Å; V466-Q468 PolarHBondContact O-N 3.5Å; Q468-K471 PolarHBondContact O-N 2.87Å; Q468-T472 WeakPolarHBondContact O-CA 3.4Å; Q468-T472 WeakPolarHBondContact O-CB 3.42Å; Q468-T472 PolarHBondContact O-N 3.16Å; Q468-T472 PolarHBondContact O-OG1 3.38Å
469A39.9Very low38.5Very low20 Ų2080.5 Ų80.517%0.16543%0.427CS..Hα-helixtrans-63.2-43172.900000111.5L465 V466 T472 L473L465-A469 VanDerWaalsContact O-CB 3.26Å; L465-A469 WeakPolarHBondContact O-CB 3.31Å; L465-A469 PolarHBondContact O-N 3.34Å; V466-A469 PolarHBondContact O-N 3.46Å; A469-T472 PolarHBondContact O-N 2.86Å; A469-L473 VanDerWaalsContact O-CB 3.25Å; A469-L473 WeakPolarHBondContact O-CB 3.33Å; A469-L473 WeakPolarHBondContact O-CD1 3.38Å; A469-L473 VanDerWaalsContact O-CG 3.28Å; A469-L473 WeakPolarHBondContact O-CG 3.38Å; A469-L473 PolarHBondContact O-N 2.88Å
470K41.2Very low38.1Very low87 Ų8779.1 Ų79.138%0.37843%0.434SS..Hα-helixtrans-68-40.6177.3-157.1171.5-172.6170.40111.6V447 E451 V466 L474V447-K470 HydrophobicContact CG1-CD 4.46Å; E451-K470 IonicContact OE1-NZ 2.75Å; V466-K470 WeakPolarHBondContact O-CB 3.47Å; V466-K470 PolarHBondContact O-N 2.95Å; K470-L474 HydrophobicContact CG-CD1 4.38Å; K470-L474 WeakPolarHBondContact O-CB 3.43Å; K470-L474 WeakPolarHBondContact O-CD1 3.25Å; K470-L474 PolarHBondContact O-N 3.16Å
471K44.2Very low38.1Very low141 Ų14182.4 Ų82.461%0.61345%0.45SS*.Hα-helixtrans-70.3-37.8174.8-173177.8-175.8-179.80112.1A467 Q468 N475A467-K471 WeakPolarHBondContact O-CA 3.32Å; A467-K471 WeakPolarHBondContact O-CB 3.04Å; A467-K471 PolarHBondContact O-N 3.4Å; Q468-K471 PolarHBondContact O-N 2.87Å; K471-N475 WeakPolarHBondContact O-CB 3.21Å; K471-N475 PolarHBondContact O-N 3.39Å; K471-N475 PolarHBondContact O-ND2 3.48Å
472T42.4Very low38.2Very low46 Ų4682 Ų8228%0.28245%0.446SS..Hα-helixtrans-68.9-41.5174.8-62.50000110.5Q468 A469 F476Q468-T472 WeakPolarHBondContact O-CA 3.4Å; Q468-T472 WeakPolarHBondContact O-CB 3.42Å; Q468-T472 PolarHBondContact O-N 3.16Å; Q468-T472 PolarHBondContact O-OG1 3.38Å; A469-T472 PolarHBondContact O-N 2.86Å; T472-F476 WeakPolarHBondContact O-CB 3.48Å; T472-F476 PolarHBondContact O-N 3.28Å
473L38.5Very low37.9Very low46 Ų4682.3 Ų82.324%0.24144%0.444CS..Hα-helixtrans-65.5-45.9172.9-78.6162.2000112.1A469 F476 F477 W513A469-L473 VanDerWaalsContact O-CB 3.25Å; A469-L473 WeakPolarHBondContact O-CB 3.33Å; A469-L473 WeakPolarHBondContact O-CD1 3.38Å; A469-L473 VanDerWaalsContact O-CG 3.28Å; A469-L473 WeakPolarHBondContact O-CG 3.38Å; A469-L473 PolarHBondContact O-N 2.88Å; L473-F476 PolarHBondContact O-N 2.94Å; L473-F477 WeakPolarHBondContact O-CD2 3.35Å; L473-F477 PolarHBondContact O-N 2.98Å; L473-W513 HydrophobicContact CD2-CH2 3.44Å; L473-W513 VanDerWaalsContact CD2-CH2 3.44Å; L473-W513 HydrophobicContact CD2-CZ2 3.74Å; L473-W513 HydrophobicContact CD2-CZ3 4.36Å
474L37.7Very low37.9Very low85 Ų8579.5 Ų79.545%0.44543%0.429SS..Hα-helixtrans-63.3-41.9175.2-108.3100.7000112.3L443 K470 F477 N478L443-L474 HydrophobicContact CD2-CD1 4.35Å; K470-L474 HydrophobicContact CG-CD1 4.38Å; K470-L474 WeakPolarHBondContact O-CB 3.43Å; K470-L474 WeakPolarHBondContact O-CD1 3.25Å; K470-L474 PolarHBondContact O-N 3.16Å; L474-F477 PolarHBondContact O-N 3.09Å; L474-N478 PolarHBondContact O-N 3.04Å
475N39Very low37.9Very low65 Ų6579 Ų7935%0.34842%0.42SS..Hα-helixtrans-65.9-42.9175.7-81.3-13.3000110.9K471 F477 N478 M479K471-N475 WeakPolarHBondContact O-CB 3.21Å; K471-N475 PolarHBondContact O-N 3.39Å; K471-N475 PolarHBondContact O-ND2 3.48Å; N475-F477 PolarHBondContact O-N 2.92Å; N475-N478 PolarHBondContact O-N 3.11Å; N475-N478 VanDerWaalsContact O-N 3.09Å; N475-M479 HydrophobicContact CB-CE 3.61Å; N475-M479 HydrophobicContact CB-SD 4.05Å; N475-M479 WeakPolarHBondContact O-CB 3.37Å; N475-M479 WeakPolarHBondContact O-CG 3.44Å; N475-M479 PolarHBondContact O-N 3.14Å; N475-M479 VanDerWaalsContact O-N 3.09Å
476F34.8Very low38Very low23 Ų2375.7 Ų75.710%0.10140%0.403CS..Hα-helixtrans-57-30.5178.2-174.1-102.7000113.5T472 L473 L486 V490 W513 Y517T472-F476 WeakPolarHBondContact O-CB 3.48Å; T472-F476 PolarHBondContact O-N 3.28Å; L473-F476 PolarHBondContact O-N 2.94Å; F476-L486 HydrophobicContact CE2-CD1 3.79Å; F476-V490 HydrophobicContact CD2-CG1 3.91Å; F476-V490 HydrophobicContact CD2-CG2 4.02Å; F476-V490 HydrophobicContact CE2-CB 4.44Å; F476-V490 HydrophobicContact CE2-CG1 3.6Å; F476-V490 HydrophobicContact CE2-CG2 4.28Å; F476-V490 HydrophobicContact CZ-CG1 4.4Å; F476-W513 HydrophobicContact CD1-CH2 4.18Å; F476-W513 AromaticContact CE1-CH2 3.96Å; F476-W513 HydrophobicContact CE1-CH2 3.96Å; F476-W513 HydrophobicContact CE1-CZ2 4.33Å; F476-Y517 HydrophobicContact CD1-CE1 4.38Å; F476-Y517 HydrophobicContact CD1-CE2 4.11Å; F476-Y517 AromaticContact CD1-CZ 3.97Å; F476-Y517 AromaticContact CE1-CD1 3.6Å; F476-Y517 HydrophobicContact CE1-CD1 3.6Å; F476-Y517 AromaticContact CE1-CD2 3.7Å; F476-Y517 HydrophobicContact CE1-CD2 3.7Å; F476-Y517 AromaticContact CE1-CE1 3.44Å; F476-Y517 HydrophobicContact CE1-CE1 3.44Å; F476-Y517 VanDerWaalsContact CE1-CE1 3.44Å; F476-Y517 AromaticContact CE1-CE2 3.53Å; F476-Y517 HydrophobicContact CE1-CE2 3.53Å; F476-Y517 AromaticContact CE1-CG 3.71Å; F476-Y517 HydrophobicContact CE1-CG 3.71Å; F476-Y517 AromaticContact CE1-CZ 3.38Å; F476-Y517 HydrophobicContact CE2-CD1 4.42Å; F476-Y517 HydrophobicContact CE2-CE1 4.02Å; F476-Y517 AromaticContact CZ-CD1 3.34Å; F476-Y517 HydrophobicContact CZ-CD1 3.34Å; F476-Y517 HydrophobicContact CZ-CD2 4.33Å; F476-Y517 AromaticContact CZ-CE1 3.23Å; F476-Y517 HydrophobicContact CZ-CE1 3.23Å; F476-Y517 HydrophobicContact CZ-CE2 4.23Å; F476-Y517 AromaticContact CZ-CG 3.91Å; F476-Y517 HydrophobicContact CZ-CG 3.91Å; F476-Y517 AromaticContact CZ-CZ 3.68Å; F476-Y517 PolarHBondContact O-OH 2.98Å
477F32.4Very low38.1Very low65 Ų6576 Ų7629%0.28540%0.403SS..Hα-helixtrans-91.6-20.6176.6-74.7-70.4000114.6F439 L473 L474 N475 W513 Y517F439-F477 HydrophobicContact CE1-CD1 4.27Å; F439-F477 HydrophobicContact CE1-CD2 4.34Å; F439-F477 HydrophobicContact CE1-CG 4.15Å; F439-F477 HydrophobicContact CE2-CE1 4.13Å; F439-F477 HydrophobicContact CE2-CZ 4.29Å; F439-F477 AromaticContact CZ-CD1 3.65Å; F439-F477 HydrophobicContact CZ-CD1 3.65Å; F439-F477 AromaticContact CZ-CD2 3.92Å; F439-F477 HydrophobicContact CZ-CD2 3.92Å; F439-F477 AromaticContact CZ-CE1 3.58Å; F439-F477 HydrophobicContact CZ-CE1 3.58Å; F439-F477 AromaticContact CZ-CE2 3.87Å; F439-F477 HydrophobicContact CZ-CE2 3.87Å; F439-F477 AromaticContact CZ-CG 3.84Å; F439-F477 HydrophobicContact CZ-CG 3.84Å; F439-F477 AromaticContact CZ-CZ 3.7Å; F439-F477 HydrophobicContact CZ-CZ 3.7Å; L473-F477 WeakPolarHBondContact O-CD2 3.35Å; L473-F477 PolarHBondContact O-N 2.98Å; L474-F477 PolarHBondContact O-N 3.09Å; N475-F477 PolarHBondContact O-N 2.92Å; F477-W513 AromaticContact CE2-CZ2 3.74Å; F477-W513 HydrophobicContact CE2-CZ2 3.74Å; F477-W513 AromaticContact CZ-CZ2 3.62Å; F477-W513 HydrophobicContact CZ-CZ2 3.62Å; F477-Y517 HydrophobicContact CD1-CE2 4.05Å; F477-Y517 AromaticContact CE1-CD2 3.98Å; F477-Y517 HydrophobicContact CE1-CD2 3.98Å; F477-Y517 AromaticContact CE1-CE2 3.59Å; F477-Y517 HydrophobicContact CE1-CE2 3.59Å; F477-Y517 HydrophobicContact CZ-CD2 4.44Å; F477-Y517 HydrophobicContact CZ-CE2 4.33Å
478N32.3Very low38.1Very low136 Ų13677.7 Ų77.773%0.72741%0.408SS*.Hα-helixtrans-96.35.8176.7-84.1-20.6000114.1L474 N475L474-N478 PolarHBondContact O-N 3.04Å; N475-N478 PolarHBondContact O-N 3.11Å; N475-N478 VanDerWaalsContact O-N 3.09Å
479M31Very low38.1Very low74 Ų7476.2 Ų76.237%0.36540%0.404SS..  trans-110.7111.3-169.6-88.5-172-173.600112.8N475 F481N475-M479 HydrophobicContact CB-CE 3.61Å; N475-M479 HydrophobicContact CB-SD 4.05Å; N475-M479 WeakPolarHBondContact O-CB 3.37Å; N475-M479 WeakPolarHBondContact O-CG 3.44Å; N475-M479 PolarHBondContact O-N 3.14Å; N475-M479 VanDerWaalsContact O-N 3.09Å; M479-F481 HydrophobicContact CB-CB 4.21Å; M479-F481 HydrophobicContact CB-CD2 3.27Å; M479-F481 HydrophobicContact CB-CE2 3.94Å; M479-F481 HydrophobicContact CB-CG 4.07Å; M479-F481 HydrophobicContact CE-CE2 3.99Å; M479-F481 HydrophobicContact CE-CZ 4.36Å; M479-F481 HydrophobicContact CG-CD2 3.28Å; M479-F481 HydrophobicContact CG-CE2 3.38Å; M479-F481 HydrophobicContact CG-CG 4.29Å; M479-F481 HydrophobicContact CG-CZ 4.49Å; M479-F481 PolarHBondContact O-N 3.41Å; M479-F481 VanDerWaalsContact O-N 3.17Å; M479-F481 HydrophobicContact SD-CD2 3.51Å; M479-F481 VanDerWaalsContact SD-CD2 3.51Å; M479-F481 HydrophobicContact SD-CE2 3.42Å; M479-F481 WeakPolarHBondContact SD-CE2 3.47Å; M479-F481 HydrophobicContact SD-CG 4.1Å; M479-F481 HydrophobicContact SD-CZ 4.04Å
480T27.3Very low38.3Very low145 Ų14576.3 Ų76.389%0.8940%0.402SS*.  trans-68.995.3153.445.70000108.1
481F37.8Very low38.4Very low123 Ų12373.8 Ų73.854%0.53939%0.394SS..  trans-131.5150.2-172.5-100.3-92.9000116.8M479 N485M479-F481 HydrophobicContact CB-CB 4.21Å; M479-F481 HydrophobicContact CB-CD2 3.27Å; M479-F481 HydrophobicContact CB-CE2 3.94Å; M479-F481 HydrophobicContact CB-CG 4.07Å; M479-F481 HydrophobicContact CE-CE2 3.99Å; M479-F481 HydrophobicContact CE-CZ 4.36Å; M479-F481 HydrophobicContact CG-CD2 3.28Å; M479-F481 HydrophobicContact CG-CE2 3.38Å; M479-F481 HydrophobicContact CG-CG 4.29Å; M479-F481 HydrophobicContact CG-CZ 4.49Å; M479-F481 PolarHBondContact O-N 3.41Å; M479-F481 VanDerWaalsContact O-N 3.17Å; M479-F481 HydrophobicContact SD-CD2 3.51Å; M479-F481 VanDerWaalsContact SD-CD2 3.51Å; M479-F481 HydrophobicContact SD-CE2 3.42Å; M479-F481 WeakPolarHBondContact SD-CE2 3.47Å; M479-F481 HydrophobicContact SD-CG 4.1Å; M479-F481 HydrophobicContact SD-CZ 4.04Å; F481-N485 HydrophobicContact CD1-CB 3.92Å; F481-N485 WeakPolarHBondContact CD1-ND2 3.43Å; F481-N485 WeakPolarHBondContact CE1-ND2 3.38Å
482S38.3Very low38.6Very low80 Ų8069.9 Ų69.956%0.55938%0.383SS*.  trans-78.9154.7179.862.40000112.9D484 N485S482-D484 PolarHBondContact O-N 2.96Å; S482-D484 VanDerWaalsContact O-N 3.11Å; S482-N485 PolarHBondContact O-N 2.79Å
483L36.1Very low38.8Very low56 Ų5670.5 Ų70.529%0.29339%0.387SS..Hα-helixtrans-52.2-32.9-172.9-165.174000114.5N485 L486 L487 L524 K531L483-N485 PolarHBondContact O-N 2.84Å; L483-L486 WeakPolarHBondContact O-CB 3.26Å; L483-L486 PolarHBondContact O-N 3.49Å; L483-L487 HydrophobicContact CG-CD1 4.26Å; L483-L487 PolarHBondContact O-N 3.29Å; L483-L524 HydrophobicContact CD1-CD2 4.41Å; L483-K531 HydrophobicContact CD2-CB 4.11Å; L483-K531 HydrophobicContact CD2-CD 4.26Å
484D37.9Very low39.1Very low84 Ų8469.1 Ų69.145%0.44938%0.38SS..Hα-helixtrans-67.9-34.7-175.8-77.6-17.6000113.2S482 T488 K531S482-D484 PolarHBondContact O-N 2.96Å; S482-D484 VanDerWaalsContact O-N 3.11Å; D484-T488 PolarHBondContact O-N 3.08Å; D484-T488 PolarHBondContact O-OG1 3.02Å; D484-K531 IonicContact OD1-NZ 2.92Å; D484-K531 PolarHBondContact OD1-NZ 3.38Å; D484-K531 IonicContact OD2-NZ 2.77Å; D484-K531 PolarHBondContact OD2-NZ 3.45Å
485N41.4Very low39.5Very low62 Ų6268.6 Ų68.633%0.33238%0.377SS..Hα-helixtrans-74.7-27.5178.1-101.31.6000113F481 S482 L483 N489F481-N485 HydrophobicContact CD1-CB 3.92Å; F481-N485 WeakPolarHBondContact CD1-ND2 3.43Å; F481-N485 WeakPolarHBondContact CE1-ND2 3.38Å; S482-N485 PolarHBondContact O-N 2.79Å; L483-N485 PolarHBondContact O-N 2.84Å; N485-N489 PolarHBondContact O-N 3.01Å
486L40.8Very low40Very low35 Ų3569.9 Ų69.918%0.18339%0.387CS..Iπ-helixtrans-68.7-44.3177.2-165.577.2000111F476 L483 V490 V491 F518F476-L486 HydrophobicContact CE2-CD1 3.79Å; L483-L486 WeakPolarHBondContact O-CB 3.26Å; L483-L486 PolarHBondContact O-N 3.49Å; L486-V490 HydrophobicContact CD1-CB 4.47Å; L486-V490 WeakPolarHBondContact O-CB 3.3Å; L486-V490 PolarHBondContact O-N 3.37Å; L486-V491 PolarHBondContact O-N 3.25Å; L486-V491 VanDerWaalsContact O-N 3.12Å; L486-F518 HydrophobicContact CD1-CZ 4.33Å; L486-F518 HydrophobicContact CD2-CD1 4.39Å; L486-F518 HydrophobicContact CD2-CE1 3.29Å; L486-F518 HydrophobicContact CD2-CE2 4.27Å; L486-F518 HydrophobicContact CD2-CZ 3.22Å; L486-F518 HydrophobicContact CG-CE1 4.34Å; L486-F518 HydrophobicContact CG-CZ 3.79Å
487L39.6Very low40.5Very low46 Ų4670.8 Ų70.824%0.24139%0.393CS..Iπ-helixtrans-75.8-36.9-177.2-73.2171.9000113.3L483 P492 L535L483-L487 HydrophobicContact CG-CD1 4.26Å; L483-L487 PolarHBondContact O-N 3.29Å; L487-P492 WeakPolarHBondContact O-CD 3.41Å; L487-L535 HydrophobicContact CD2-CD1 3.9Å
488T44.5Very low41.2Very low92 Ų9267.9 Ų67.956%0.56438%0.38SS*.Iπ-helixtrans-84.8-32.8-176.244.70000114D484D484-T488 PolarHBondContact O-N 3.08Å; D484-T488 PolarHBondContact O-OG1 3.02Å
489N43.6Very low41.8Very low90 Ų9067.1 Ų67.148%0.48138%0.376SS..Iπ-helixtrans-116.2-29.2-171.7-66.7-49.3000114.3N485 T493N485-N489 PolarHBondContact O-N 3.01Å; N489-T493 WeakPolarHBondContact O-CB 3Å; N489-T493 PolarHBondContact O-OG1 3.36Å
490V42.6Very low42.5Very low21 Ų2165.9 Ų65.913%0.12738%0.375CS..Iπ-helixtrans-97.3-48.3-169.1-1800000112.1F476 L486 T493 L494F476-V490 HydrophobicContact CD2-CG1 3.91Å; F476-V490 HydrophobicContact CD2-CG2 4.02Å; F476-V490 HydrophobicContact CE2-CB 4.44Å; F476-V490 HydrophobicContact CE2-CG1 3.6Å; F476-V490 HydrophobicContact CE2-CG2 4.28Å; F476-V490 HydrophobicContact CZ-CG1 4.4Å; L486-V490 HydrophobicContact CD1-CB 4.47Å; L486-V490 WeakPolarHBondContact O-CB 3.3Å; L486-V490 PolarHBondContact O-N 3.37Å; V490-T493 PolarHBondContact O-N 3.46Å; V490-L494 HydrophobicContact CG1-CD1 3.47Å; V490-L494 VanDerWaalsContact CG1-CD1 3.47Å; V490-L494 HydrophobicContact CG1-CG 4.35Å; V490-L494 WeakPolarHBondContact O-CB 3.5Å; V490-L494 WeakPolarHBondContact O-CD1 3.4Å; V490-L494 WeakPolarHBondContact O-CG 3.43Å; V490-L494 PolarHBondContact O-N 3.14Å
491V45.1Very low43.3Very low34 Ų3459.6 Ų59.621%0.20634%0.337CS..Hα-helixtrans-61.9-47179.9174.30000112.6L486 T493 L494 L495 F518L486-V491 PolarHBondContact O-N 3.25Å; L486-V491 VanDerWaalsContact O-N 3.12Å; V491-T493 PolarHBondContact O-N 2.64Å; V491-L494 PolarHBondContact O-N 3.02Å; V491-L495 HydrophobicContact CG1-CD1 3.97Å; V491-L495 HydrophobicContact CG1-CG 4.49Å; V491-L495 WeakPolarHBondContact O-CG 3.37Å; V491-L495 PolarHBondContact O-N 3.47Å; V491-F518 HydrophobicContact CG2-CZ 4.41Å
492P46.8Very low43.4Very low59 Ų5959.2 Ų59.238%0.38335%0.349SS..Hα-helixtrans-63.7-42178.3-22.134.6000112.5L487 L494 L495 T496L487-P492 WeakPolarHBondContact O-CD 3.41Å; P492-L494 PolarHBondContact O-N 3.47Å; P492-L495 PolarHBondContact O-N 2.92Å; P492-T496 PolarHBondContact O-N 3.01Å; P492-T496 PolarHBondContact O-OG1 3.35Å
493T46.2Very low43.4Very low60 Ų6057.6 Ų57.637%0.36834%0.337SS..Hα-helixtrans-65.8-37.7178.3-58.40000111.9N489 V490 V491 T496 I497N489-T493 WeakPolarHBondContact O-CB 3Å; N489-T493 PolarHBondContact O-OG1 3.36Å; V490-T493 PolarHBondContact O-N 3.46Å; V491-T493 PolarHBondContact O-N 2.64Å; T493-T496 PolarHBondContact O-N 3.38Å; T493-I497 HydrophobicContact CG2-CD1 4.18Å; T493-I497 VanDerWaalsContact O-CG1 3.25Å; T493-I497 WeakPolarHBondContact O-CG1 3.38Å; T493-I497 PolarHBondContact O-N 2.98Å
494L45.4Very low43.6Very low17 Ų1760.1 Ų60.19%0.08935%0.351CS..Hα-helixtrans-69.1-39.8175.1-77.3162.2000112.8V490 V491 P492 T496 I497 I498 V510 W513 M514V490-L494 HydrophobicContact CG1-CD1 3.47Å; V490-L494 VanDerWaalsContact CG1-CD1 3.47Å; V490-L494 HydrophobicContact CG1-CG 4.35Å; V490-L494 WeakPolarHBondContact O-CB 3.5Å; V490-L494 WeakPolarHBondContact O-CD1 3.4Å; V490-L494 WeakPolarHBondContact O-CG 3.43Å; V490-L494 PolarHBondContact O-N 3.14Å; V491-L494 PolarHBondContact O-N 3.02Å; P492-L494 PolarHBondContact O-N 3.47Å; L494-T496 VanDerWaalsContact C-N 3.29Å; L494-T496 PolarHBondContact O-N 3.5Å; L494-I497 HydrophobicContact CD2-CD1 4.39Å; L494-I497 WeakPolarHBondContact O-CB 3.4Å; L494-I497 PolarHBondContact O-N 3.17Å; L494-I498 WeakPolarHBondContact O-CB 3.07Å; L494-I498 WeakPolarHBondContact O-CD1 2.94Å; L494-I498 WeakPolarHBondContact O-CG1 3.25Å; L494-I498 PolarHBondContact O-N 3.13Å; L494-V510 HydrophobicContact CD2-CG1 4.26Å; L494-W513 HydrophobicContact CD1-CZ3 4.28Å; L494-W513 HydrophobicContact CD2-CE3 4.36Å; L494-W513 HydrophobicContact CD2-CZ3 3.73Å; L494-M514 HydrophobicContact CB-SD 3.56Å; L494-M514 VanDerWaalsContact CB-SD 3.56Å; L494-M514 HydrophobicContact CD1-CG 3.92Å; L494-M514 HydrophobicContact CD1-SD 3.73Å; L494-M514 HydrophobicContact CD2-CG 4.32Å; L494-M514 HydrophobicContact CD2-SD 4.34Å; L494-M514 HydrophobicContact CG-SD 4.08Å
495L46.7Very low43.8Very low74 Ų7463.1 Ų63.139%0.38736%0.362SS..Hα-helixtrans-60.8-40.7171.4-72.9168.9000111.2V491 P492 I497 I498 D499V491-L495 HydrophobicContact CG1-CD1 3.97Å; V491-L495 HydrophobicContact CG1-CG 4.49Å; V491-L495 WeakPolarHBondContact O-CG 3.37Å; V491-L495 PolarHBondContact O-N 3.47Å; P492-L495 PolarHBondContact O-N 2.92Å; L495-I497 VanDerWaalsContact C-N 3.33Å; L495-I497 PolarHBondContact O-N 3.36Å; L495-I498 PolarHBondContact O-N 3.44Å; L495-D499 WeakPolarHBondContact O-CB 3.39Å; L495-D499 PolarHBondContact O-N 3.37Å
496T49.5Very low43.8Very low92 Ų9263.9 Ų63.956%0.56436%0.364SS*.Hα-helixtrans-64.1-38175.4-38.90000111.9P492 T493 L494 S500P492-T496 PolarHBondContact O-N 3.01Å; P492-T496 PolarHBondContact O-OG1 3.35Å; T493-T496 PolarHBondContact O-N 3.38Å; L494-T496 VanDerWaalsContact C-N 3.29Å; L494-T496 PolarHBondContact O-N 3.5Å; T496-S500 WeakPolarHBondContact O-CB 3.23Å; T496-S500 PolarHBondContact O-N 2.65Å; T496-S500 VanDerWaalsContact O-N 3.1Å; T496-S500 PolarHBondContact O-OG 3.45Å
497I45.5Very low44Very low41 Ų4166.3 Ų66.321%0.2137%0.371CS..Hα-helixtrans-64.6-45.1174.3-71.3163.1000110.3T493 L494 L495 S500 C501 V510T493-I497 HydrophobicContact CG2-CD1 4.18Å; T493-I497 VanDerWaalsContact O-CG1 3.25Å; T493-I497 WeakPolarHBondContact O-CG1 3.38Å; T493-I497 PolarHBondContact O-N 2.98Å; L494-I497 HydrophobicContact CD2-CD1 4.39Å; L494-I497 WeakPolarHBondContact O-CB 3.4Å; L494-I497 PolarHBondContact O-N 3.17Å; L495-I497 VanDerWaalsContact C-N 3.33Å; L495-I497 PolarHBondContact O-N 3.36Å; I497-S500 WeakPolarHBondContact CA-OG 3.25Å; I497-S500 PolarHBondContact O-N 3.46Å; I497-S500 PolarHBondContact O-OG 3.05Å; I497-C501 PolarHBondContact O-N 3.3Å; I497-C501 PolarHBondContact O-SG 3.3Å; I497-V510 HydrophobicContact CG2-CG1 4.49Å
498I45.9Very low44.1Very low4 Ų469.1 Ų69.12%0.02138%0.382CS..Hα-helixtrans-62.3-45.5178.4-70.8161.2000111.3L494 L495 S500 C501 R507 V510 F511 M514L494-I498 WeakPolarHBondContact O-CB 3.07Å; L494-I498 WeakPolarHBondContact O-CD1 2.94Å; L494-I498 WeakPolarHBondContact O-CG1 3.25Å; L494-I498 PolarHBondContact O-N 3.13Å; L495-I498 PolarHBondContact O-N 3.44Å; I498-S500 PolarHBondContact O-N 2.68Å; I498-C501 WeakPolarHBondContact O-CB 3.35Å; I498-C501 PolarHBondContact O-N 3.47Å; I498-C501 VanDerWaalsContact O-N 3.13Å; I498-R507 HydrophobicContact CG2-CB 4.41Å; I498-R507 HydrophobicContact CG2-CG 4.09Å; I498-R507 WeakPolarHBondContact O-CG 3.46Å; I498-R507 PolarHBondContact O-NE 3.17Å; I498-V510 HydrophobicContact CD1-CG1 4.01Å; I498-V510 HydrophobicContact CG1-CB 4.11Å; I498-V510 HydrophobicContact CG1-CG1 3.59Å; I498-F511 HydrophobicContact CB-CZ 4.5Å; I498-F511 HydrophobicContact CD1-CD1 3.9Å; I498-F511 HydrophobicContact CD1-CE1 3.67Å; I498-F511 HydrophobicContact CD1-CE2 4.38Å; I498-F511 HydrophobicContact CD1-CG 4.36Å; I498-F511 HydrophobicContact CD1-CZ 3.93Å; I498-F511 HydrophobicContact CG1-CZ 4.46Å; I498-F511 HydrophobicContact CG2-CD2 4.31Å; I498-F511 HydrophobicContact CG2-CE1 4.29Å; I498-F511 HydrophobicContact CG2-CE2 3.42Å; I498-F511 VanDerWaalsContact CG2-CE2 3.42Å; I498-F511 HydrophobicContact CG2-CZ 3.42Å; I498-F511 VanDerWaalsContact CG2-CZ 3.42Å; I498-M514 HydrophobicContact CD1-CE 3.4Å; I498-M514 VanDerWaalsContact CD1-CE 3.4Å; I498-M514 HydrophobicContact CD1-SD 4.04Å
499D46.7Very low43.9Very low120 Ų12067.7 Ų67.764%0.64238%0.38SS*.Hα-helixtrans-64.7-27.4177.4-74-19.2000112L495L495-D499 WeakPolarHBondContact O-CB 3.39Å; L495-D499 PolarHBondContact O-N 3.37Å
500S44.3Very low43.9Very low49 Ų4964.9 Ų64.934%0.34337%0.366SS..Hα-helixtrans-81.7-12.517776.20000114.5T496 I497 I498T496-S500 WeakPolarHBondContact O-CB 3.23Å; T496-S500 PolarHBondContact O-N 2.65Å; T496-S500 VanDerWaalsContact O-N 3.1Å; T496-S500 PolarHBondContact O-OG 3.45Å; I497-S500 WeakPolarHBondContact CA-OG 3.25Å; I497-S500 PolarHBondContact O-N 3.46Å; I497-S500 PolarHBondContact O-OG 3.05Å; I498-S500 PolarHBondContact O-N 2.68Å
501C43.5Very low44Very low13 Ų1366.4 Ų66.49%0.08837%0.371CS..  trans-74.6130.4176.6-69.70000111I497 I498 Q506 R507I497-C501 PolarHBondContact O-N 3.3Å; I497-C501 PolarHBondContact O-SG 3.3Å; I498-C501 WeakPolarHBondContact O-CB 3.35Å; I498-C501 PolarHBondContact O-N 3.47Å; I498-C501 VanDerWaalsContact O-N 3.13Å; C501-Q506 HydrophobicContact CB-CB 3.98Å; C501-R507 HydrophobicContact CB-CG 3.59Å; C501-R507 PolarHBondContact O-NE 3.15Å; C501-R507 PolarHBondContact O-NH2 3.07Å
502S40.3Very low43.8Very low115 Ų11567.8 Ų67.880%0.80439%0.386SS*.SBendtrans-88.3-11.8-174.155.40000114.8
503C39.7Very low43.7Very low45 Ų4568.9 Ų68.930%0.30438%0.383SS..SBendtrans-136151.9174.976.40000112.2E505 Q506 R507C503-E505 PolarHBondContact O-N 2.82Å; C503-Q506 PolarHBondContact O-N 3.44Å; C503-R507 PolarHBondContact O-N 2.89Å
504D40.2Very low43.6Very low110 Ų11067 Ų6759%0.58837%0.37SS*.Hα-helixtrans-61.1-29.1-175.1-71.3-27.7000112.8Q506 R507 Q508D504-Q506 PolarHBondContact O-N 3.34Å; D504-R507 PolarHBondContact O-N 3.3Å; D504-Q508 VanDerWaalsContact O-CB 3.26Å; D504-Q508 WeakPolarHBondContact O-CB 3.34Å; D504-Q508 VanDerWaalsContact O-CG 3.23Å; D504-Q508 WeakPolarHBondContact O-CG 3.5Å; D504-Q508 PolarHBondContact O-N 3.31Å
505E40.5Very low43.4Very low146 Ų14667.4 Ų67.468%0.68238%0.375SS*.Hα-helixtrans-68-37.2179.7-67143.4157.100112.4C503 A509C503-E505 PolarHBondContact O-N 2.82Å; E505-A509 WeakPolarHBondContact O-CB 3.13Å; E505-A509 PolarHBondContact O-N 3.2Å
506Q43.1Very low42.9Very low79 Ų7965.7 Ų65.737%0.36938%0.376SS..Hα-helixtrans-71.3-40.5174.7-75.2-178.2-10.900111.3C501 C503 D504 A509 V510C501-Q506 HydrophobicContact CB-CB 3.98Å; C503-Q506 PolarHBondContact O-N 3.44Å; D504-Q506 PolarHBondContact O-N 3.34Å; Q506-A509 PolarHBondContact O-N 3.18Å; Q506-V510 WeakPolarHBondContact O-CG2 3.45Å; Q506-V510 PolarHBondContact O-N 3.31Å
507R44.6Very low42.4Very low86 Ų8663.9 Ų63.933%0.32536%0.359SS..Hα-helixtrans-60.1-49.6173.2-69.5-176.5-169.4-179.50.7110.4I498 C501 C503 D504 A509 V510 F511I498-R507 HydrophobicContact CG2-CB 4.41Å; I498-R507 HydrophobicContact CG2-CG 4.09Å; I498-R507 WeakPolarHBondContact O-CG 3.46Å; I498-R507 PolarHBondContact O-NE 3.17Å; C501-R507 HydrophobicContact CB-CG 3.59Å; C501-R507 PolarHBondContact O-NE 3.15Å; C501-R507 PolarHBondContact O-NH2 3.07Å; C503-R507 PolarHBondContact O-N 2.89Å; D504-R507 PolarHBondContact O-N 3.3Å; R507-A509 VanDerWaalsContact C-N 3.32Å; R507-A509 PolarHBondContact O-N 3.48Å; R507-V510 PolarHBondContact O-N 3.39Å; R507-F511 HydrophobicContact CB-CD2 4.05Å; R507-F511 HydrophobicContact CB-CE2 4.05Å; R507-F511 WeakPolarHBondContact O-CB 3.46Å; R507-F511 WeakPolarHBondContact O-CD2 3.49Å; R507-F511 WeakPolarHBondContact O-CG 3.4Å; R507-F511 PolarHBondContact O-N 2.91Å
508Q40.8Very low42.2Very low104 Ų10465.1 Ų65.149%0.48636%0.363SS..Hα-helixtrans-60.4-38.1178.8-78.1179.3-5.300112.7D504 F511 A512D504-Q508 VanDerWaalsContact O-CB 3.26Å; D504-Q508 WeakPolarHBondContact O-CB 3.34Å; D504-Q508 VanDerWaalsContact O-CG 3.23Å; D504-Q508 WeakPolarHBondContact O-CG 3.5Å; D504-Q508 PolarHBondContact O-N 3.31Å; Q508-F511 PolarHBondContact O-N 3.03Å; Q508-A512 WeakPolarHBondContact O-CB 3.09Å; Q508-A512 PolarHBondContact O-N 3.3Å
509A41.3Very low41.7Very low62 Ų6270 Ų7051%0.51239%0.389SS..Hα-helixtrans-66-43.4175.600000112.3E505 Q506 R507 W513E505-A509 WeakPolarHBondContact O-CB 3.13Å; E505-A509 PolarHBondContact O-N 3.2Å; Q506-A509 PolarHBondContact O-N 3.18Å; R507-A509 VanDerWaalsContact C-N 3.32Å; R507-A509 PolarHBondContact O-N 3.48Å; A509-W513 VanDerWaalsContact O-CB 3.27Å; A509-W513 WeakPolarHBondContact O-CB 3.25Å; A509-W513 PolarHBondContact O-N 3.07Å
510V44.1Very low41Very low31 Ų3174.6 Ų74.619%0.18840%0.397CS..Hα-helixtrans-67.8-40.9175.9178.40000110.8L494 I497 I498 Q506 R507 W513 M514L494-V510 HydrophobicContact CD2-CG1 4.26Å; I497-V510 HydrophobicContact CG2-CG1 4.49Å; I498-V510 HydrophobicContact CD1-CG1 4.01Å; I498-V510 HydrophobicContact CG1-CB 4.11Å; I498-V510 HydrophobicContact CG1-CG1 3.59Å; Q506-V510 WeakPolarHBondContact O-CG2 3.45Å; Q506-V510 PolarHBondContact O-N 3.31Å; R507-V510 PolarHBondContact O-N 3.39Å; V510-W513 PolarHBondContact O-N 3.38Å; V510-M514 WeakPolarHBondContact O-CG 3.42Å; V510-M514 PolarHBondContact O-N 3.45Å
511F44.5Very low40.5Very low53 Ų5375.3 Ų75.323%0.23240%0.402CS..Hα-helixtrans-62.8-46.5175.3-82.8-60.7000112.9I498 R507 Q508 W513 M514 A515 I542I498-F511 HydrophobicContact CB-CZ 4.5Å; I498-F511 HydrophobicContact CD1-CD1 3.9Å; I498-F511 HydrophobicContact CD1-CE1 3.67Å; I498-F511 HydrophobicContact CD1-CE2 4.38Å; I498-F511 HydrophobicContact CD1-CG 4.36Å; I498-F511 HydrophobicContact CD1-CZ 3.93Å; I498-F511 HydrophobicContact CG1-CZ 4.46Å; I498-F511 HydrophobicContact CG2-CD2 4.31Å; I498-F511 HydrophobicContact CG2-CE1 4.29Å; I498-F511 HydrophobicContact CG2-CE2 3.42Å; I498-F511 VanDerWaalsContact CG2-CE2 3.42Å; I498-F511 HydrophobicContact CG2-CZ 3.42Å; I498-F511 VanDerWaalsContact CG2-CZ 3.42Å; R507-F511 HydrophobicContact CB-CD2 4.05Å; R507-F511 HydrophobicContact CB-CE2 4.05Å; R507-F511 WeakPolarHBondContact O-CB 3.46Å; R507-F511 WeakPolarHBondContact O-CD2 3.49Å; R507-F511 WeakPolarHBondContact O-CG 3.4Å; R507-F511 PolarHBondContact O-N 2.91Å; Q508-F511 PolarHBondContact O-N 3.03Å; F511-W513 VanDerWaalsContact C-N 3.28Å; F511-W513 PolarHBondContact O-N 2.87Å; F511-M514 HydrophobicContact CD1-CE 3.56Å; F511-M514 HydrophobicContact CE1-CE 3.99Å; F511-M514 PolarHBondContact O-N 2.76Å; F511-A515 WeakPolarHBondContact O-CB 3.24Å; F511-A515 PolarHBondContact O-N 3.23Å; F511-I542 HydrophobicContact CD1-CG2 4.18Å; F511-I542 HydrophobicContact CE1-CG1 4.32Å; F511-I542 HydrophobicContact CE1-CG2 4.23Å
512A39.7Very low39.9Very low63 Ų6377 Ų7752%0.52142%0.421SS..Hα-helixtrans-64.2-34.9176.800000111.9Q508 G516Q508-A512 WeakPolarHBondContact O-CB 3.09Å; Q508-A512 PolarHBondContact O-N 3.3Å; A512-G516 PolarHBondContact O-N 3.48Å
513W44.8Very low39.3Very low82 Ų8279.5 Ų79.531%0.31142%0.418SS..Hα-helixtrans-68.4-44.4175.8-179.982.2000112.4L473 F476 F477 L494 A509 V510 F511 G516 Y517L473-W513 HydrophobicContact CD2-CH2 3.44Å; L473-W513 VanDerWaalsContact CD2-CH2 3.44Å; L473-W513 HydrophobicContact CD2-CZ2 3.74Å; L473-W513 HydrophobicContact CD2-CZ3 4.36Å; F476-W513 HydrophobicContact CD1-CH2 4.18Å; F476-W513 AromaticContact CE1-CH2 3.96Å; F476-W513 HydrophobicContact CE1-CH2 3.96Å; F476-W513 HydrophobicContact CE1-CZ2 4.33Å; F477-W513 AromaticContact CE2-CZ2 3.74Å; F477-W513 HydrophobicContact CE2-CZ2 3.74Å; F477-W513 AromaticContact CZ-CZ2 3.62Å; F477-W513 HydrophobicContact CZ-CZ2 3.62Å; L494-W513 HydrophobicContact CD1-CZ3 4.28Å; L494-W513 HydrophobicContact CD2-CE3 4.36Å; L494-W513 HydrophobicContact CD2-CZ3 3.73Å; A509-W513 VanDerWaalsContact O-CB 3.27Å; A509-W513 WeakPolarHBondContact O-CB 3.25Å; A509-W513 PolarHBondContact O-N 3.07Å; V510-W513 PolarHBondContact O-N 3.38Å; F511-W513 VanDerWaalsContact C-N 3.28Å; F511-W513 PolarHBondContact O-N 2.87Å; W513-G516 PolarHBondContact O-N 3.07Å; W513-Y517 PolarHBondContact O-N 3.39Å
514M44.2Very low38.9Very low22 Ų2281.8 Ų81.811%0.10843%0.426CS..Hα-helixtrans-60.5-46.3174.2-70.8-165.1-51.800112.2L494 I498 V510 F511 G516 Y517 F518L494-M514 HydrophobicContact CB-SD 3.56Å; L494-M514 VanDerWaalsContact CB-SD 3.56Å; L494-M514 HydrophobicContact CD1-CG 3.92Å; L494-M514 HydrophobicContact CD1-SD 3.73Å; L494-M514 HydrophobicContact CD2-CG 4.32Å; L494-M514 HydrophobicContact CD2-SD 4.34Å; L494-M514 HydrophobicContact CG-SD 4.08Å; I498-M514 HydrophobicContact CD1-CE 3.4Å; I498-M514 VanDerWaalsContact CD1-CE 3.4Å; I498-M514 HydrophobicContact CD1-SD 4.04Å; V510-M514 WeakPolarHBondContact O-CG 3.42Å; V510-M514 PolarHBondContact O-N 3.45Å; F511-M514 HydrophobicContact CD1-CE 3.56Å; F511-M514 HydrophobicContact CE1-CE 3.99Å; F511-M514 PolarHBondContact O-N 2.76Å; M514-G516 VanDerWaalsContact C-N 3.35Å; M514-Y517 PolarHBondContact O-N 2.82Å; M514-F518 PolarHBondContact O-N 3.09Å
515A40.5Very low38.3Very low24 Ų2485.3 Ų85.320%0.19843%0.433CS..Hα-helixtrans-62.9-43178.400000111.6F511 Y517 L519 F549F511-A515 WeakPolarHBondContact O-CB 3.24Å; F511-A515 PolarHBondContact O-N 3.23Å; A515-Y517 VanDerWaalsContact C-N 3.33Å; A515-Y517 PolarHBondContact O-N 3.43Å; A515-L519 WeakPolarHBondContact O-CB 3.4Å; A515-L519 PolarHBondContact O-N 3.3Å; A515-L519 VanDerWaalsContact O-N 3.14Å; A515-F549 HydrophobicContact CB-CE2 3.67Å; A515-F549 HydrophobicContact CB-CZ 3.59Å
516G36.5Very low37.7Very low38 Ų3887.4 Ų87.439%0.39244%0.435SS..Hα-helixtrans-61.6-38177.100000113.1A512 W513 M514 R520A512-G516 PolarHBondContact O-N 3.48Å; W513-G516 PolarHBondContact O-N 3.07Å; M514-G516 VanDerWaalsContact C-N 3.35Å; G516-R520 WeakPolarHBondContact O-CB 3.4Å; G516-R520 PolarHBondContact O-N 3.27Å
517Y39.6Very low36.9Very low54 Ų5488.2 Ų88.221%0.21245%0.45CS..Hα-helixtrans-76.8-43.7179.1-167.1-85.8000112.7F476 F477 W513 M514 A515 L519 R520 S521F476-Y517 HydrophobicContact CD1-CE1 4.38Å; F476-Y517 HydrophobicContact CD1-CE2 4.11Å; F476-Y517 AromaticContact CD1-CZ 3.97Å; F476-Y517 AromaticContact CE1-CD1 3.6Å; F476-Y517 HydrophobicContact CE1-CD1 3.6Å; F476-Y517 AromaticContact CE1-CD2 3.7Å; F476-Y517 HydrophobicContact CE1-CD2 3.7Å; F476-Y517 AromaticContact CE1-CE1 3.44Å; F476-Y517 HydrophobicContact CE1-CE1 3.44Å; F476-Y517 VanDerWaalsContact CE1-CE1 3.44Å; F476-Y517 AromaticContact CE1-CE2 3.53Å; F476-Y517 HydrophobicContact CE1-CE2 3.53Å; F476-Y517 AromaticContact CE1-CG 3.71Å; F476-Y517 HydrophobicContact CE1-CG 3.71Å; F476-Y517 AromaticContact CE1-CZ 3.38Å; F476-Y517 HydrophobicContact CE2-CD1 4.42Å; F476-Y517 HydrophobicContact CE2-CE1 4.02Å; F476-Y517 AromaticContact CZ-CD1 3.34Å; F476-Y517 HydrophobicContact CZ-CD1 3.34Å; F476-Y517 HydrophobicContact CZ-CD2 4.33Å; F476-Y517 AromaticContact CZ-CE1 3.23Å; F476-Y517 HydrophobicContact CZ-CE1 3.23Å; F476-Y517 HydrophobicContact CZ-CE2 4.23Å; F476-Y517 AromaticContact CZ-CG 3.91Å; F476-Y517 HydrophobicContact CZ-CG 3.91Å; F476-Y517 AromaticContact CZ-CZ 3.68Å; F476-Y517 PolarHBondContact O-OH 2.98Å; F477-Y517 HydrophobicContact CD1-CE2 4.05Å; F477-Y517 AromaticContact CE1-CD2 3.98Å; F477-Y517 HydrophobicContact CE1-CD2 3.98Å; F477-Y517 AromaticContact CE1-CE2 3.59Å; F477-Y517 HydrophobicContact CE1-CE2 3.59Å; F477-Y517 HydrophobicContact CZ-CD2 4.44Å; F477-Y517 HydrophobicContact CZ-CE2 4.33Å; W513-Y517 PolarHBondContact O-N 3.39Å; M514-Y517 PolarHBondContact O-N 2.82Å; A515-Y517 VanDerWaalsContact C-N 3.33Å; A515-Y517 PolarHBondContact O-N 3.43Å; Y517-L519 VanDerWaalsContact C-N 3.29Å; Y517-L519 PolarHBondContact O-N 2.88Å; Y517-R520 PolarHBondContact O-N 2.88Å; Y517-R520 VanDerWaalsContact O-N 3.16Å; Y517-S521 WeakPolarHBondContact CE1-OG 3.14Å; Y517-S521 WeakPolarHBondContact O-CB 3.39Å; Y517-S521 PolarHBondContact O-N 3Å; Y517-S521 PolarHBondContact O-OG 3.09Å
518F40.4Very low36Very low68 Ų6887.3 Ų87.330%0.29845%0.452SS..Hα-helixtrans-61.9-36.7177.3-97.2-82.6000112.8L486 V491 M514 G522 L535L486-F518 HydrophobicContact CD1-CZ 4.33Å; L486-F518 HydrophobicContact CD2-CD1 4.39Å; L486-F518 HydrophobicContact CD2-CE1 3.29Å; L486-F518 HydrophobicContact CD2-CE2 4.27Å; L486-F518 HydrophobicContact CD2-CZ 3.22Å; L486-F518 HydrophobicContact CG-CE1 4.34Å; L486-F518 HydrophobicContact CG-CZ 3.79Å; V491-F518 HydrophobicContact CG2-CZ 4.41Å; M514-F518 PolarHBondContact O-N 3.09Å; F518-G522 WeakPolarHBondContact O-CA 3.18Å; F518-G522 PolarHBondContact O-N 3.31Å; F518-L535 HydrophobicContact CD1-CD2 4.25Å; F518-L535 HydrophobicContact CE1-CD1 3.77Å; F518-L535 HydrophobicContact CE1-CD2 4.04Å; F518-L535 HydrophobicContact CE1-CG 4.31Å; F518-L535 HydrophobicContact CZ-CD1 4.19Å
519L36Very low35.4Very low107 Ų10789.9 Ų89.956%0.5646%0.461SS*.Hα-helixtrans-78.2-22.6175.9-80.1157.8000113.8A515 Y517A515-L519 WeakPolarHBondContact O-CB 3.4Å; A515-L519 PolarHBondContact O-N 3.3Å; A515-L519 VanDerWaalsContact O-N 3.14Å; Y517-L519 VanDerWaalsContact C-N 3.29Å; Y517-L519 PolarHBondContact O-N 2.88Å
520R32.4Very low34.9Very low216 Ų21693.8 Ų93.882%0.81547%0.474SS*.Hα-helixtrans-85.9-36.9175.1-106.2-177.7173.4175.2-0.5113.3G516 Y517G516-R520 WeakPolarHBondContact O-CB 3.4Å; G516-R520 PolarHBondContact O-N 3.27Å; Y517-R520 PolarHBondContact O-N 2.88Å; Y517-R520 VanDerWaalsContact O-N 3.16Å
521S33.2Very low34.3Very low64 Ų6495.7 Ų95.745%0.44848%0.479SS..Hα-helixtrans-101.5-8.2-172.3-51.80000112.8Y517 K523Y517-S521 WeakPolarHBondContact CE1-OG 3.14Å; Y517-S521 WeakPolarHBondContact O-CB 3.39Å; Y517-S521 PolarHBondContact O-N 3Å; Y517-S521 PolarHBondContact O-OG 3.09Å; S521-K523 VanDerWaalsContact C-N 3.27Å; S521-K523 PolarHBondContact O-N 3.46Å
522G30.4Very low33.7Very low47 Ų4795.6 Ų95.649%0.48548%0.484SS..  trans-70.370.7-178.100000114.4F518 L524F518-G522 WeakPolarHBondContact O-CA 3.18Å; F518-G522 PolarHBondContact O-N 3.31Å; G522-L524 PolarHBondContact O-N 2.91Å; G522-L524 VanDerWaalsContact O-N 3.17Å
523K28.9Very low33.3Very low169 Ų16997.7 Ų97.774%0.73549%0.486SS*.  trans-72.581.5140-76.3-175.3177.7-1790106.9S521 Y525S521-K523 VanDerWaalsContact C-N 3.27Å; S521-K523 PolarHBondContact O-N 3.46Å; K523-Y525 VanDerWaalsContact C-N 3.31Å; K523-Y525 HydrophobicContact CB-CD2 4.22Å; K523-Y525 HydrophobicContact CB-CE2 4.18Å; K523-Y525 HydrophobicContact CD-CE2 4.19Å; K523-Y525 PolarHBondContact O-N 3.06Å
524L31.2Very low32.7Very low93 Ų9396.5 Ų96.549%0.48749%0.49SS..  trans-70.196.7163.8-88.9156.1000106.7L483 G522 Y526 L535L483-L524 HydrophobicContact CD1-CD2 4.41Å; G522-L524 PolarHBondContact O-N 2.91Å; G522-L524 VanDerWaalsContact O-N 3.17Å; L524-Y526 PolarHBondContact O-N 3.22Å; L524-L535 HydrophobicContact CD1-CD2 4.34Å
525Y27.8Very low32.3Very low184 Ų18496.6 Ų96.672%0.72249%0.491SS*.  trans-65.9131172-90.5-87.9000109.1K523 S527K523-Y525 VanDerWaalsContact C-N 3.31Å; K523-Y525 HydrophobicContact CB-CD2 4.22Å; K523-Y525 HydrophobicContact CB-CE2 4.18Å; K523-Y525 HydrophobicContact CD-CE2 4.19Å; K523-Y525 PolarHBondContact O-N 3.06Å; Y525-S527 PolarHBondContact O-N 3.43Å
526Y26.8Very low32.2Very low189 Ų18997 Ų9774%0.74149%0.491SS*.THydrogen-bonded Turntrans-61.27.6-170-103-100000116.9L524L524-Y526 PolarHBondContact O-N 3.22Å
527S26.3Very low32.2Very low97 Ų9798.5 Ų98.568%0.67850%0.496SS*.THydrogen-bonded Turntrans-91.5-20.3-16463.70000116.4Y525Y525-S527 PolarHBondContact O-N 3.43Å
528D27.4Very low32Very low67 Ų6797.9 Ų97.936%0.35850%0.501SS..  trans-119.282.2-172.3-74.84.7000112.5D530 K531 T532D528-D530 PolarHBondContact O-N 3.49Å; D528-K531 HydrophobicContact CB-CB 4.19Å; D528-K531 HydrophobicContact CB-CD 4.31Å; D528-K531 HydrophobicContact CB-CG 4.36Å; D528-K531 PolarHBondContact O-N 3.05Å; D528-K531 IonicContact OD2-NZ 2.96Å; D528-T532 PolarHBondContact O-N 3.42Å; D528-T532 PolarHBondContact O-OG1 2.95Å
529F26.3Very low32.1Very low157 Ų15796.9 Ų96.969%0.68950%0.501SS*.Hα-helixtrans-59-31.2179.8-150.7-97.3000112.9L584F529-L584 HydrophobicContact CE2-CD1 4.47Å
530D32.3Very low32.2Very low145 Ų14592.5 Ų92.578%0.77548%0.478SS*.Hα-helixtrans-78.8-29.5179.7-78.8-26.7000114.1D528D528-D530 PolarHBondContact O-N 3.49Å
531K31.2Very low32.3Very low70 Ų7084.3 Ų84.330%0.30446%0.456SS..Hα-helixtrans-85.1-18.5-179.1-65.8-177.3-176174.20113L483 D484 D528 N533 S534L483-K531 HydrophobicContact CD2-CB 4.11Å; L483-K531 HydrophobicContact CD2-CD 4.26Å; D484-K531 IonicContact OD1-NZ 2.92Å; D484-K531 PolarHBondContact OD1-NZ 3.38Å; D484-K531 IonicContact OD2-NZ 2.77Å; D484-K531 PolarHBondContact OD2-NZ 3.45Å; D528-K531 HydrophobicContact CB-CB 4.19Å; D528-K531 HydrophobicContact CB-CD 4.31Å; D528-K531 HydrophobicContact CB-CG 4.36Å; D528-K531 PolarHBondContact O-N 3.05Å; D528-K531 IonicContact OD2-NZ 2.96Å; K531-N533 VanDerWaalsContact C-N 3.28Å; K531-N533 PolarHBondContact O-N 2.7Å; K531-S534 PolarHBondContact O-N 3.13Å; K531-S534 PolarHBondContact O-OG 3.19Å
532T32Very low32.6Very low52 Ų5283.2 Ų83.232%0.31945%0.445SS..Hα-helixtrans-68.9-29.3178.8-44.20000111.5D528 S534 L535 V536D528-T532 PolarHBondContact O-N 3.42Å; D528-T532 PolarHBondContact O-OG1 2.95Å; T532-S534 PolarHBondContact O-N 2.92Å; T532-L535 PolarHBondContact O-N 3.46Å; T532-V536 HydrophobicContact CG2-CG2 4.39Å; T532-V536 WeakPolarHBondContact O-CB 3.4Å; T532-V536 VanDerWaalsContact O-CG2 3.23Å; T532-V536 WeakPolarHBondContact O-CG2 3.29Å; T532-V536 PolarHBondContact O-N 2.95Å
533N31.4Very low33Very low106 Ų10681.1 Ų81.157%0.56742%0.423SS*.Hα-helixtrans-63.9-35.7176.6-88.6-18000113.6K531 S537K531-N533 VanDerWaalsContact C-N 3.28Å; K531-N533 PolarHBondContact O-N 2.7Å; N533-S537 WeakPolarHBondContact O-CB 3.22Å; N533-S537 PolarHBondContact O-N 2.96Å; N533-S537 PolarHBondContact O-OG 2.77Å
534S32.5Very low33.5Very low58 Ų5873.8 Ų73.841%0.40639%0.391SS..Hα-helixtrans-73.4-36.4179.7660000112.6K531 T532 S537 A538K531-S534 PolarHBondContact O-N 3.13Å; K531-S534 PolarHBondContact O-OG 3.19Å; T532-S534 PolarHBondContact O-N 2.92Å; S534-S537 PolarHBondContact O-N 2.96Å; S534-A538 WeakPolarHBondContact O-CB 3.36Å; S534-A538 PolarHBondContact O-N 3.13Å
535L35.3Very low33.9Very low24 Ų2475.9 Ų75.913%0.12640%0.398CS..Hα-helixtrans-66.9-43174.3-147.398.1000111L487 F518 L524 T532 A538 V539L487-L535 HydrophobicContact CD2-CD1 3.9Å; F518-L535 HydrophobicContact CD1-CD2 4.25Å; F518-L535 HydrophobicContact CE1-CD1 3.77Å; F518-L535 HydrophobicContact CE1-CD2 4.04Å; F518-L535 HydrophobicContact CE1-CG 4.31Å; F518-L535 HydrophobicContact CZ-CD1 4.19Å; L524-L535 HydrophobicContact CD1-CD2 4.34Å; T532-L535 PolarHBondContact O-N 3.46Å; L535-A538 PolarHBondContact O-N 3Å; L535-V539 WeakPolarHBondContact O-CG2 3.35Å; L535-V539 PolarHBondContact O-N 2.9Å
536V37.4Very low34.6Very low31 Ų3170 Ų7019%0.18838%0.38CS..Hα-helixtrans-62.7-44.2174.3163.90000110.5T532 A538 V539 L540 F588T532-V536 HydrophobicContact CG2-CG2 4.39Å; T532-V536 WeakPolarHBondContact O-CB 3.4Å; T532-V536 VanDerWaalsContact O-CG2 3.23Å; T532-V536 WeakPolarHBondContact O-CG2 3.29Å; T532-V536 PolarHBondContact O-N 2.95Å; V536-A538 PolarHBondContact O-N 3.41Å; V536-V539 PolarHBondContact O-N 3.4Å; V536-L540 HydrophobicContact CG1-CD1 3.46Å; V536-L540 VanDerWaalsContact CG1-CD1 3.46Å; V536-L540 HydrophobicContact CG1-CG 4.22Å; V536-L540 WeakPolarHBondContact O-CB 3.39Å; V536-L540 WeakPolarHBondContact O-CD1 3.49Å; V536-L540 WeakPolarHBondContact O-CG 3.49Å; V536-L540 PolarHBondContact O-N 2.82Å; V536-F588 HydrophobicContact CB-CD2 4.22Å; V536-F588 HydrophobicContact CB-CE2 4.18Å; V536-F588 HydrophobicContact CG1-CD2 3.57Å; V536-F588 HydrophobicContact CG1-CE2 3.72Å; V536-F588 HydrophobicContact CG2-CD2 3.74Å; V536-F588 HydrophobicContact CG2-CE2 3.89Å
537S37Very low35.4Very low71 Ų7165.3 Ų65.350%0.49737%0.367SS..Hα-helixtrans-63-37.8174.8-680000113.4N533 S534 L540 A541N533-S537 WeakPolarHBondContact O-CB 3.22Å; N533-S537 PolarHBondContact O-N 2.96Å; N533-S537 PolarHBondContact O-OG 2.77Å; S534-S537 PolarHBondContact O-N 2.96Å; S537-L540 PolarHBondContact O-N 3.04Å; S537-A541 WeakPolarHBondContact O-CB 3.3Å; S537-A541 PolarHBondContact O-N 3.02Å
538A36.4Very low36.1Very low40 Ų4065.9 Ų65.933%0.33136%0.355SS..Hα-helixtrans-68.6-45.4176.100000111.6S534 L535 V536 L540 A541 I542S534-A538 WeakPolarHBondContact O-CB 3.36Å; S534-A538 PolarHBondContact O-N 3.13Å; L535-A538 PolarHBondContact O-N 3Å; V536-A538 PolarHBondContact O-N 3.41Å; A538-L540 VanDerWaalsContact C-N 3.31Å; A538-L540 PolarHBondContact O-N 3.34Å; A538-A541 PolarHBondContact O-N 3.35Å; A538-I542 WeakPolarHBondContact O-CB 3.48Å; A538-I542 VanDerWaalsContact O-CD1 3.27Å; A538-I542 WeakPolarHBondContact O-CD1 3.35Å; A538-I542 WeakPolarHBondContact O-CG1 3.05Å; A538-I542 PolarHBondContact O-N 2.92Å
539V40.9Very low37Very low48 Ų4864.4 Ų64.429%0.29135%0.346SS..Hα-helixtrans-64.5-37.2174.9173.80000111.3L535 V536 I542 A543 I553 F588L535-V539 WeakPolarHBondContact O-CG2 3.35Å; L535-V539 PolarHBondContact O-N 2.9Å; V536-V539 PolarHBondContact O-N 3.4Å; V539-I542 PolarHBondContact O-N 3.32Å; V539-A543 VanDerWaalsContact O-CB 3.29Å; V539-A543 WeakPolarHBondContact O-CB 3.44Å; V539-A543 PolarHBondContact O-N 2.87Å; V539-I553 HydrophobicContact CG1-CD1 3.82Å; V539-F588 HydrophobicContact CG1-CZ 4.19Å
540L38Very low38Very low15 Ų1557.1 Ų57.18%0.07931%0.314CS..Hα-helixtrans-63-48.3173.3-79.6164000111.4V536 S537 A538 I542 A543 Q544 L592V536-L540 HydrophobicContact CG1-CD1 3.46Å; V536-L540 VanDerWaalsContact CG1-CD1 3.46Å; V536-L540 HydrophobicContact CG1-CG 4.22Å; V536-L540 WeakPolarHBondContact O-CB 3.39Å; V536-L540 WeakPolarHBondContact O-CD1 3.49Å; V536-L540 WeakPolarHBondContact O-CG 3.49Å; V536-L540 PolarHBondContact O-N 2.82Å; S537-L540 PolarHBondContact O-N 3.04Å; A538-L540 VanDerWaalsContact C-N 3.31Å; A538-L540 PolarHBondContact O-N 3.34Å; L540-I542 VanDerWaalsContact C-N 3.25Å; L540-I542 PolarHBondContact O-N 3.4Å; L540-A543 PolarHBondContact O-N 3.22Å; L540-Q544 VanDerWaalsContact O-CB 3.31Å; L540-Q544 WeakPolarHBondContact O-CB 3.27Å; L540-Q544 WeakPolarHBondContact O-CG 3.4Å; L540-Q544 PolarHBondContact O-N 2.97Å; L540-L592 HydrophobicContact CD2-CB 3.74Å; L540-L592 HydrophobicContact CD2-CD1 3.59Å; L540-L592 HydrophobicContact CD2-CG 3.83Å; L540-L592 HydrophobicContact CG-CD1 4.45Å
541A36.3Very low38.6Very low43 Ų4354.9 Ų54.936%0.35530%0.301SS..Hα-helixtrans-59.4-37.7176.300000112S537 A538 H545S537-A541 WeakPolarHBondContact O-CB 3.3Å; S537-A541 PolarHBondContact O-N 3.02Å; A538-A541 PolarHBondContact O-N 3.35Å; A541-H545 PolarHBondContact O-N 3.45Å
542I38.4Very low39.3Very low42 Ų4254.9 Ų54.922%0.21531%0.307CS..Hα-helixtrans-70.9-40.6176.5-63.6161.9000111.4F511 A538 V539 L540 Q544 F549F511-I542 HydrophobicContact CD1-CG2 4.18Å; F511-I542 HydrophobicContact CE1-CG1 4.32Å; F511-I542 HydrophobicContact CE1-CG2 4.23Å; A538-I542 WeakPolarHBondContact O-CB 3.48Å; A538-I542 VanDerWaalsContact O-CD1 3.27Å; A538-I542 WeakPolarHBondContact O-CD1 3.35Å; A538-I542 WeakPolarHBondContact O-CG1 3.05Å; A538-I542 PolarHBondContact O-N 2.92Å; V539-I542 PolarHBondContact O-N 3.32Å; L540-I542 VanDerWaalsContact C-N 3.25Å; L540-I542 PolarHBondContact O-N 3.4Å; I542-Q544 VanDerWaalsContact C-N 3.32Å; I542-F549 HydrophobicContact CB-CE1 4.29Å; I542-F549 HydrophobicContact CG2-CD1 3.66Å; I542-F549 HydrophobicContact CG2-CE1 3.47Å; I542-F549 VanDerWaalsContact CG2-CE1 3.47Å; I542-F549 HydrophobicContact CG2-CE2 4.41Å; I542-F549 HydrophobicContact CG2-CG 4.2Å; I542-F549 HydrophobicContact CG2-CZ 3.88Å
543A38.4Very low40.3Very low2 Ų253.5 Ų53.52%0.01730%0.297CS..Hα-helixtrans-70-28.2176.600000113.1V539 L540 F549 I553 L592V539-A543 VanDerWaalsContact O-CB 3.29Å; V539-A543 WeakPolarHBondContact O-CB 3.44Å; V539-A543 PolarHBondContact O-N 2.87Å; L540-A543 PolarHBondContact O-N 3.22Å; A543-F549 HydrophobicContact CB-CD1 4.44Å; A543-I553 HydrophobicContact CB-CD1 3.63Å; A543-L592 HydrophobicContact CB-CD1 4.27Å
544Q40.6Very low41.3Very low15 Ų1549.1 Ų49.17%0.0727%0.274CS..Hα-helixtrans-76.5-24.2-178.9-75.2178.2-21.200113.2L540 I542 S595 L597 R614L540-Q544 VanDerWaalsContact O-CB 3.31Å; L540-Q544 WeakPolarHBondContact O-CB 3.27Å; L540-Q544 WeakPolarHBondContact O-CG 3.4Å; L540-Q544 PolarHBondContact O-N 2.97Å; I542-Q544 VanDerWaalsContact C-N 3.32Å; Q544-S595 PolarHBondContact NE2-O 2.79Å; Q544-S595 PolarHBondContact NE2-OG 3Å; Q544-L597 HydrophobicContact CB-CD1 3.9Å; Q544-R614 PolarHBondContact O-NH2 2.93Å
545H40Very low42Very low137 Ų13754 Ų5463%0.63428%0.284SS*.Hα-helixtrans-87.1-25.9-179.9-102.5-76.4000114.9A541A541-H545 PolarHBondContact O-N 3.45Å
546D41.8Very low42.7Very low62 Ų6259.2 Ų59.233%0.33230%0.302SS..  trans-134.3110-175.3-163.6-19.1000111.6Y548 F549 F550D546-Y548 PolarHBondContact O-N 3.47Å; D546-Y548 VanDerWaalsContact O-N 3.09Å; D546-Y548 WeakPolarHBondContact OD1-CB 3.33Å; D546-Y548 PolarHBondContact OD1-N 2.93Å; D546-Y548 VanDerWaalsContact OD1-N 3.14Å; D546-F549 HydrophobicContact CB-CB 4.19Å; D546-F549 WeakPolarHBondContact O-CB 3.35Å; D546-F549 PolarHBondContact O-N 3.04Å; D546-F550 PolarHBondContact O-N 3.31Å; D546-F550 VanDerWaalsContact O-N 3.08Å
547N44.2Very low43.6Very low89 Ų8958.2 Ų58.248%0.47630%0.296SS..Hα-helixtrans-56.7-26.8-180-76.8-31.3000112.5L551N547-L551 WeakPolarHBondContact O-CB 3.03Å; N547-L551 PolarHBondContact O-N 3.43Å
548Y41.1Very low44.5Very low109 Ų10956.9 Ų56.943%0.42728%0.28SS..Hα-helixtrans-71.4-38.1178-141.3-91.8000111.4T61 D546 L551 V552T61-Y548 WeakPolarHBondContact CA-OH 3.47Å; T61-Y548 HydrophobicContact CG2-CD1 3.83Å; T61-Y548 HydrophobicContact CG2-CD2 3.77Å; T61-Y548 HydrophobicContact CG2-CE1 3.32Å; T61-Y548 HydrophobicContact CG2-CE2 3.29Å; T61-Y548 HydrophobicContact CG2-CG 4.04Å; T61-Y548 WeakPolarHBondContact CG2-OH 3.41Å; T61-Y548 PolarHBondContact N-OH 3.34Å; T61-Y548 VanDerWaalsContact N-OH 3.11Å; D546-Y548 PolarHBondContact O-N 3.47Å; D546-Y548 VanDerWaalsContact O-N 3.09Å; D546-Y548 WeakPolarHBondContact OD1-CB 3.33Å; D546-Y548 PolarHBondContact OD1-N 2.93Å; D546-Y548 VanDerWaalsContact OD1-N 3.14Å; Y548-L551 PolarHBondContact O-N 3.4Å; Y548-V552 WeakPolarHBondContact O-CG2 3.31Å; Y548-V552 PolarHBondContact O-N 2.88Å
549F44.7Very low45.1Very low37 Ų3758.9 Ų58.916%0.16229%0.285CS..Hα-helixtrans-70.7-38.9176-154.1-98.6000111.6A515 I542 A543 D546 L551 V552 I553A515-F549 HydrophobicContact CB-CE2 3.67Å; A515-F549 HydrophobicContact CB-CZ 3.59Å; I542-F549 HydrophobicContact CB-CE1 4.29Å; I542-F549 HydrophobicContact CG2-CD1 3.66Å; I542-F549 HydrophobicContact CG2-CE1 3.47Å; I542-F549 VanDerWaalsContact CG2-CE1 3.47Å; I542-F549 HydrophobicContact CG2-CE2 4.41Å; I542-F549 HydrophobicContact CG2-CG 4.2Å; I542-F549 HydrophobicContact CG2-CZ 3.88Å; A543-F549 HydrophobicContact CB-CD1 4.44Å; D546-F549 HydrophobicContact CB-CB 4.19Å; D546-F549 WeakPolarHBondContact O-CB 3.35Å; D546-F549 PolarHBondContact O-N 3.04Å; F549-L551 PolarHBondContact O-N 3.42Å; F549-V552 PolarHBondContact O-N 3.2Å; F549-I553 HydrophobicContact CD1-CD1 3.6Å; F549-I553 HydrophobicContact CD1-CG1 4.31Å; F549-I553 HydrophobicContact CE1-CD1 3.69Å; F549-I553 HydrophobicContact CE1-CG1 4.37Å; F549-I553 WeakPolarHBondContact O-CG1 3.25Å; F549-I553 PolarHBondContact O-N 3.46Å
550F47.5Very low45.7Very low4 Ų464.8 Ų64.82%0.01830%0.304CS..Hα-helixtrans-58.3-45.1169.8-179-92.3000112D546 V552 I553 M554 L592 L593 F613 R614 I617D546-F550 PolarHBondContact O-N 3.31Å; D546-F550 VanDerWaalsContact O-N 3.08Å; F550-V552 PolarHBondContact O-N 3.34Å; F550-I553 PolarHBondContact O-N 3.23Å; F550-M554 HydrophobicContact CD1-CG 3.85Å; F550-M554 HydrophobicContact CE1-CG 3.5Å; F550-M554 VanDerWaalsContact CE1-CG 3.5Å; F550-M554 HydrophobicContact CE1-SD 4.26Å; F550-M554 HydrophobicContact CE2-CG 4.36Å; F550-M554 HydrophobicContact CG-CG 4.41Å; F550-M554 HydrophobicContact CZ-CG 3.77Å; F550-M554 HydrophobicContact CZ-SD 4Å; F550-M554 WeakPolarHBondContact O-CB 3.26Å; F550-M554 VanDerWaalsContact O-CG 3.23Å; F550-M554 WeakPolarHBondContact O-CG 3.45Å; F550-M554 PolarHBondContact O-N 2.83Å; F550-L592 HydrophobicContact CD2-CD2 3.65Å; F550-L592 HydrophobicContact CD2-CG 4.35Å; F550-L592 HydrophobicContact CE2-CD2 3.3Å; F550-L592 HydrophobicContact CE2-CG 4.09Å; F550-L592 HydrophobicContact CZ-CD2 4.15Å; F550-L593 HydrophobicContact CE2-CD2 4.16Å; F550-L593 HydrophobicContact CZ-CD2 3.62Å; F550-F613 HydrophobicContact CD1-CE1 4.36Å; F550-F613 HydrophobicContact CE1-CE1 4.07Å; F550-R614 HydrophobicContact CE2-CG 3.89Å; F550-R614 HydrophobicContact CZ-CG 3.93Å; F550-I617 HydrophobicContact CE1-CD1 3.78Å; F550-I617 HydrophobicContact CZ-CD1 4.25Å
551L46.3Very low46.6Very low97 Ų9764.9 Ų64.951%0.50831%0.305SS..Hα-helixtrans-62.6-40.5175.7-95.8157.8000112.7N547 Y548 F549 M554 Y555N547-L551 WeakPolarHBondContact O-CB 3.03Å; N547-L551 PolarHBondContact O-N 3.43Å; Y548-L551 PolarHBondContact O-N 3.4Å; F549-L551 PolarHBondContact O-N 3.42Å; L551-M554 PolarHBondContact O-N 2.85Å; L551-Y555 WeakPolarHBondContact O-CB 3.38Å; L551-Y555 PolarHBondContact O-N 3.2Å
552V46.2Very low47.6Very low71 Ų7164.7 Ų64.743%0.4330%0.301SS..Hα-helixtrans-64.9-41.5175.7170.70000111Y548 F549 F550 R556Y548-V552 WeakPolarHBondContact O-CG2 3.31Å; Y548-V552 PolarHBondContact O-N 2.88Å; F549-V552 PolarHBondContact O-N 3.2Å; F550-V552 PolarHBondContact O-N 3.34Å; V552-R556 VanDerWaalsContact O-CB 3.27Å; V552-R556 WeakPolarHBondContact O-CB 3.43Å; V552-R556 VanDerWaalsContact O-CG 3.32Å; V552-R556 WeakPolarHBondContact O-CG 3.19Å; V552-R556 PolarHBondContact O-N 3.06Å
553I50.9Low48.5Very low23 Ų2362.9 Ų62.912%0.11829%0.291CS..Hα-helixtrans-65.2-44.5174.6-71.9169.7000110.8V539 A543 F549 F550 R556 L557 F588 L592V539-I553 HydrophobicContact CG1-CD1 3.82Å; A543-I553 HydrophobicContact CB-CD1 3.63Å; F549-I553 HydrophobicContact CD1-CD1 3.6Å; F549-I553 HydrophobicContact CD1-CG1 4.31Å; F549-I553 HydrophobicContact CE1-CD1 3.69Å; F549-I553 HydrophobicContact CE1-CG1 4.37Å; F549-I553 WeakPolarHBondContact O-CG1 3.25Å; F549-I553 PolarHBondContact O-N 3.46Å; F550-I553 PolarHBondContact O-N 3.23Å; I553-R556 PolarHBondContact O-N 3.34Å; I553-L557 HydrophobicContact CG2-CD1 3.64Å; I553-L557 HydrophobicContact CG2-CG 4.24Å; I553-L557 WeakPolarHBondContact O-CB 3.33Å; I553-L557 VanDerWaalsContact O-CG 3.29Å; I553-L557 WeakPolarHBondContact O-CG 3.36Å; I553-L557 PolarHBondContact O-N 3.5Å; I553-F588 HydrophobicContact CG2-CE1 4.2Å; I553-L592 HydrophobicContact CG2-CD1 3.99Å; I553-L592 HydrophobicContact CG2-CD2 4.13Å
554M53.1Low49.4Very low14 Ų1462.9 Ų62.97%0.06929%0.291CS..Hα-helixtrans-64.7-42.7177.9-75-67.6-68.400112.3F550 L551 R556 L557 Y558 L565 F589 L592 I617F550-M554 HydrophobicContact CD1-CG 3.85Å; F550-M554 HydrophobicContact CE1-CG 3.5Å; F550-M554 VanDerWaalsContact CE1-CG 3.5Å; F550-M554 HydrophobicContact CE1-SD 4.26Å; F550-M554 HydrophobicContact CE2-CG 4.36Å; F550-M554 HydrophobicContact CG-CG 4.41Å; F550-M554 HydrophobicContact CZ-CG 3.77Å; F550-M554 HydrophobicContact CZ-SD 4Å; F550-M554 WeakPolarHBondContact O-CB 3.26Å; F550-M554 VanDerWaalsContact O-CG 3.23Å; F550-M554 WeakPolarHBondContact O-CG 3.45Å; F550-M554 PolarHBondContact O-N 2.83Å; L551-M554 PolarHBondContact O-N 2.85Å; M554-R556 VanDerWaalsContact C-N 3.33Å; M554-R556 PolarHBondContact O-N 3.17Å; M554-L557 PolarHBondContact O-N 2.7Å; M554-Y558 WeakPolarHBondContact O-CB 3.16Å; M554-Y558 PolarHBondContact O-N 3.48Å; M554-L565 HydrophobicContact CE-CD1 4.31Å; M554-F589 HydrophobicContact CE-CE2 3.53Å; M554-F589 HydrophobicContact CE-CZ 4.12Å; M554-F589 HydrophobicContact SD-CD2 4.03Å; M554-F589 HydrophobicContact SD-CE2 3.56Å; M554-F589 VanDerWaalsContact SD-CE2 3.56Å; M554-L592 HydrophobicContact SD-CD2 4.25Å; M554-I617 HydrophobicContact CE-CG2 3.76Å
555Y48Very low50.3Low159 Ų15965.2 Ų65.262%0.62430%0.303SS*.Hα-helixtrans-63.6-40.3175.3-176.6-99.6000111.3L551 N559L551-Y555 WeakPolarHBondContact O-CB 3.38Å; L551-Y555 PolarHBondContact O-N 3.2Å; Y555-N559 WeakPolarHBondContact CE1-ND2 3.38Å; Y555-N559 WeakPolarHBondContact O-CB 3.36Å; Y555-N559 PolarHBondContact O-N 2.8Å; Y555-N559 PolarHBondContact O-ND2 2.89Å
556R50.3Low50.6Low134 Ų13459 Ų5951%0.50628%0.276SS..Hα-helixtrans-67.6-41.6173.7-82.3-95.4-176.5161.6-1112.5V552 I553 M554 N559 Y560V552-R556 VanDerWaalsContact O-CB 3.27Å; V552-R556 WeakPolarHBondContact O-CB 3.43Å; V552-R556 VanDerWaalsContact O-CG 3.32Å; V552-R556 WeakPolarHBondContact O-CG 3.19Å; V552-R556 PolarHBondContact O-N 3.06Å; I553-R556 PolarHBondContact O-N 3.34Å; M554-R556 VanDerWaalsContact C-N 3.33Å; M554-R556 PolarHBondContact O-N 3.17Å; R556-N559 PolarHBondContact O-N 3.27Å; R556-Y560 WeakPolarHBondContact O-CB 3.36Å; R556-Y560 PolarHBondContact O-N 2.82Å
557L56.6Low50.7Low11 Ų1160.9 Ų60.96%0.05829%0.285CS..Hα-helixtrans-63.9-42.1176-79.9167.2000111.3I553 M554 Y560 C561 F564 L585 F588 F589I553-L557 HydrophobicContact CG2-CD1 3.64Å; I553-L557 HydrophobicContact CG2-CG 4.24Å; I553-L557 WeakPolarHBondContact O-CB 3.33Å; I553-L557 VanDerWaalsContact O-CG 3.29Å; I553-L557 WeakPolarHBondContact O-CG 3.36Å; I553-L557 PolarHBondContact O-N 3.5Å; M554-L557 PolarHBondContact O-N 2.7Å; L557-Y560 PolarHBondContact O-N 2.83Å; L557-C561 PolarHBondContact O-N 3.02Å; L557-F564 HydrophobicContact CB-CD2 4.3Å; L557-F564 HydrophobicContact CD2-CE2 4.43Å; L557-L585 HydrophobicContact CD2-CD2 3.28Å; L557-F588 HydrophobicContact CD1-CD1 4.16Å; L557-F588 HydrophobicContact CD1-CE1 4.08Å; L557-F588 HydrophobicContact CD2-CD1 4.13Å; L557-F588 HydrophobicContact CD2-CE1 4.47Å; L557-F589 HydrophobicContact CD1-CD2 4.05Å
558Y54Low50.4Low42 Ų4261.1 Ų61.117%0.16528%0.282CS..Hα-helixtrans-62-44.1174174-105.3000112.1M554 Y560 C561 P562 L565M554-Y558 WeakPolarHBondContact O-CB 3.16Å; M554-Y558 PolarHBondContact O-N 3.48Å; Y558-Y560 PolarHBondContact O-N 3.19Å; Y558-C561 CarbonylContact O-C 3.53Å; Y558-P562 HydrophobicContact CE2-CB 4.49Å; Y558-P562 WeakPolarHBondContact O-CA 3.3Å; Y558-L565 HydrophobicContact CD2-CB 3.81Å; Y558-L565 HydrophobicContact CD2-CD1 4.06Å; Y558-L565 HydrophobicContact CE2-CB 4.04Å; Y558-L565 HydrophobicContact CG-CD1 4.36Å
559N50.2Low50.2Low82 Ų8264.2 Ų64.244%0.43930%0.297SS..Hα-helixtrans-65.9-27.3175.3-76.6-29.1000112.8Y555 R556Y555-N559 WeakPolarHBondContact CE1-ND2 3.38Å; Y555-N559 WeakPolarHBondContact O-CB 3.36Å; Y555-N559 PolarHBondContact O-N 2.8Å; Y555-N559 PolarHBondContact O-ND2 2.89Å; R556-N559 PolarHBondContact O-N 3.27Å
560Y52.3Low50Low173 Ų17367.8 Ų67.868%0.67832%0.319SS*.Hα-helixtrans-81.3-45.6177.7-126.8-87000112.7R556 L557 Y558 L585R556-Y560 WeakPolarHBondContact O-CB 3.36Å; R556-Y560 PolarHBondContact O-N 2.82Å; L557-Y560 PolarHBondContact O-N 2.83Å; Y558-Y560 PolarHBondContact O-N 3.19Å; Y560-L585 HydrophobicContact CD1-CD1 4.09Å
561C57.6Low49.8Very low16 Ų1668.2 Ų68.211%0.10832%0.322CS..  trans-138.895.8-178.5-175.30000108L557 Y558 L563 F564L557-C561 PolarHBondContact O-N 3.02Å; Y558-C561 CarbonylContact O-C 3.53Å; C561-L563 PolarHBondContact O-N 3.29Å; C561-F564 HydrophobicContact CB-CD2 3.58Å; C561-F564 HydrophobicContact CB-CE2 3.49Å; C561-F564 VanDerWaalsContact CB-CE2 3.49Å; C561-F564 WeakPolarHBondContact O-CD2 3.16Å; C561-F564 PolarHBondContact O-N 3.37Å
562P56.9Low49.5Very low40 Ų4065 Ų6526%0.2631%0.31SS..G310 helixtrans-58.6-21-177.8-24.333.3000113.1Y558 F564 L565Y558-P562 HydrophobicContact CE2-CB 4.49Å; Y558-P562 WeakPolarHBondContact O-CA 3.3Å; P562-F564 PolarHBondContact O-N 2.73Å; P562-F564 VanDerWaalsContact O-N 3.09Å; P562-L565 PolarHBondContact O-N 3.47Å
563L57.8Low49.4Very low4 Ų466.2 Ų66.22%0.02132%0.318CS..G310 helixtrans-57.4-19.9175.2-68.7170000113.2C561 L565 A571 V575 F621 W636 F639C561-L563 PolarHBondContact O-N 3.29Å; L563-L565 VanDerWaalsContact C-N 3.31Å; L563-L565 PolarHBondContact O-N 2.96Å; L563-A571 HydrophobicContact CD2-CB 4.35Å; L563-V575 HydrophobicContact CD1-CG1 4.01Å; L563-V575 HydrophobicContact CD1-CG2 3.62Å; L563-V575 HydrophobicContact CD2-CG2 3.8Å; L563-V575 HydrophobicContact CG-CG2 3.55Å; L563-F621 WeakPolarHBondContact O-CE2 3.14Å; L563-W636 HydrophobicContact CD2-CD2 4.07Å; L563-W636 VanDerWaalsContact CD2-CE2 3.48Å; L563-W636 HydrophobicContact CD2-CE3 4.27Å; L563-W636 HydrophobicContact CD2-CH2 3.45Å; L563-W636 VanDerWaalsContact CD2-CH2 3.45Å; L563-W636 HydrophobicContact CD2-CZ2 3.18Å; L563-W636 HydrophobicContact CD2-CZ3 3.97Å; L563-F639 HydrophobicContact CB-CD1 4.49Å; L563-F639 HydrophobicContact CB-CD2 4.1Å; L563-F639 HydrophobicContact CB-CE1 3.97Å; L563-F639 HydrophobicContact CB-CE2 3.54Å; L563-F639 HydrophobicContact CB-CZ 3.47Å; L563-F639 VanDerWaalsContact CB-CZ 3.47Å; L563-F639 HydrophobicContact CD1-CB 4.41Å; L563-F639 HydrophobicContact CD1-CD2 3.55Å; L563-F639 HydrophobicContact CD1-CE2 3.85Å; L563-F639 HydrophobicContact CD1-CG 3.93Å; L563-F639 HydrophobicContact CD1-CZ 4.46Å; L563-F639 HydrophobicContact CG-CD2 4.44Å; L563-F639 HydrophobicContact CG-CE2 4.34Å
564F57.7Low49Very low1 Ų167.1 Ų67.10%0.00433%0.328CS..G310 helixtrans-73.1-10.1177.9-73-51.7000116.1L557 C561 P562 L585 V586 F589 F621 F639L557-F564 HydrophobicContact CB-CD2 4.3Å; L557-F564 HydrophobicContact CD2-CE2 4.43Å; C561-F564 HydrophobicContact CB-CD2 3.58Å; C561-F564 HydrophobicContact CB-CE2 3.49Å; C561-F564 VanDerWaalsContact CB-CE2 3.49Å; C561-F564 WeakPolarHBondContact O-CD2 3.16Å; C561-F564 PolarHBondContact O-N 3.37Å; P562-F564 PolarHBondContact O-N 2.73Å; P562-F564 VanDerWaalsContact O-N 3.09Å; F564-L585 HydrophobicContact CE2-CB 3.93Å; F564-L585 HydrophobicContact CE2-CD2 3.98Å; F564-L585 HydrophobicContact CZ-CB 3.94Å; F564-L585 VanDerWaalsContact CZ-O 3.32Å; F564-L585 WeakPolarHBondContact CZ-O 3.38Å; F564-V586 HydrophobicContact CE1-CB 4.26Å; F564-V586 HydrophobicContact CE1-CG2 3.72Å; F564-V586 HydrophobicContact CZ-CB 4.28Å; F564-V586 HydrophobicContact CZ-CG2 3.72Å; F564-F589 HydrophobicContact CB-CD2 4.04Å; F564-F589 HydrophobicContact CB-CE2 3.67Å; F564-F589 HydrophobicContact CB-CZ 3.93Å; F564-F589 HydrophobicContact CD1-CB 3.71Å; F564-F589 AromaticContact CD1-CD1 3.25Å; F564-F589 HydrophobicContact CD1-CD1 3.25Å; F564-F589 AromaticContact CD1-CD2 3.51Å; F564-F589 HydrophobicContact CD1-CD2 3.51Å; F564-F589 AromaticContact CD1-CE1 3.54Å; F564-F589 HydrophobicContact CD1-CE1 3.54Å; F564-F589 AromaticContact CD1-CE2 3.77Å; F564-F589 HydrophobicContact CD1-CE2 3.77Å; F564-F589 AromaticContact CD1-CG 3.21Å; F564-F589 HydrophobicContact CD1-CG 3.21Å; F564-F589 AromaticContact CD1-CZ 3.78Å; F564-F589 HydrophobicContact CD1-CZ 3.78Å; F564-F589 HydrophobicContact CD2-CD2 4.41Å; F564-F589 HydrophobicContact CE1-CB 3.38Å; F564-F589 AromaticContact CE1-CD1 3.54Å; F564-F589 HydrophobicContact CE1-CD1 3.54Å; F564-F589 HydrophobicContact CE1-CD2 4.12Å; F564-F589 HydrophobicContact CE1-CE1 4.25Å; F564-F589 AromaticContact CE1-CG 3.44Å; F564-F589 HydrophobicContact CE1-CG 3.44Å; F564-F589 VanDerWaalsContact CE1-CG 3.44Å; F564-F589 HydrophobicContact CE2-CB 4.43Å; F564-F589 HydrophobicContact CG-CB 4.4Å; F564-F589 HydrophobicContact CG-CD1 4.27Å; F564-F589 AromaticContact CG-CD2 3.72Å; F564-F589 HydrophobicContact CG-CD2 3.72Å; F564-F589 HydrophobicContact CG-CE1 4.4Å; F564-F589 AromaticContact CG-CE2 3.86Å; F564-F589 HydrophobicContact CG-CE2 3.86Å; F564-F589 AromaticContact CG-CG 3.91Å; F564-F589 HydrophobicContact CG-CG 3.91Å; F564-F589 HydrophobicContact CG-CZ 4.19Å; F564-F589 HydrophobicContact CZ-CB 3.82Å; F564-F589 HydrophobicContact CZ-CG 4.26Å; F564-F589 WeakPolarHBondContact O-CZ 3.28Å; F564-F621 VanDerWaalsContact CA-CE2 3.41Å; F564-F621 HydrophobicContact CD1-CE2 4.41Å; F564-F621 HydrophobicContact CD1-CZ 4.26Å; F564-F621 WeakPolarHBondContact O-CD2 3.48Å; F564-F621 VanDerWaalsContact O-CE2 3.26Å; F564-F621 WeakPolarHBondContact O-CE2 3.47Å; F564-F639 HydrophobicContact CD1-CZ 4.16Å; F564-F639 HydrophobicContact CE1-CE2 4.1Å; F564-F639 AromaticContact CE1-CZ 3.97Å; F564-F639 HydrophobicContact CE1-CZ 3.97Å; F564-F639 HydrophobicContact CZ-CE2 4.28Å
565L58.5Low48.6Very low64 Ų6467 Ų6734%0.33533%0.328SS..SBendtrans-136.994.9163.7-89.5114.6000107.6M554 Y558 P562 L563 L567M554-L565 HydrophobicContact CE-CD1 4.31Å; Y558-L565 HydrophobicContact CD2-CB 3.81Å; Y558-L565 HydrophobicContact CD2-CD1 4.06Å; Y558-L565 HydrophobicContact CE2-CB 4.04Å; Y558-L565 HydrophobicContact CG-CD1 4.36Å; P562-L565 PolarHBondContact O-N 3.47Å; L563-L565 VanDerWaalsContact C-N 3.31Å; L563-L565 PolarHBondContact O-N 2.96Å; L565-L567 HydrophobicContact CB-CD1 4.32Å; L565-L567 HydrophobicContact CD2-CD1 3.82Å; L565-L567 PolarHBondContact O-N 3.39Å
566P46.5Very low48.4Very low8 Ų866.7 Ų66.75%0.05233%0.333CS..  trans-77.173.7-176.58.56.4000108.7F621 N624 M628 W636P566-F621 HydrophobicContact CG-CD2 3.93Å; P566-F621 HydrophobicContact CG-CE2 3.9Å; P566-N624 HydrophobicContact CB-CB 3.87Å; P566-N624 HydrophobicContact CG-CB 3.72Å; P566-N624 WeakPolarHBondContact O-CB 3.24Å; P566-N624 PolarHBondContact O-ND2 3.38Å; P566-M628 HydrophobicContact CB-CE 3.91Å; P566-M628 HydrophobicContact CB-SD 4.37Å; P566-W636 HydrophobicContact CB-CH2 4.26Å
567L44Very low47.9Very low101 Ų10167.6 Ų67.653%0.52934%0.343SS..  trans-98.6-2.7179.1-76.8169.3000112.5L565L565-L567 HydrophobicContact CB-CD1 4.32Å; L565-L567 HydrophobicContact CD2-CD1 3.82Å; L565-L567 PolarHBondContact O-N 3.39Å
568F37.9Very low47.3Very low93 Ų9372.3 Ų72.341%0.40836%0.363SS..  trans-140.3135.3-170.1-69-79.7000115D570 A571 M628F568-D570 PolarHBondContact O-N 3.12Å; F568-D570 VanDerWaalsContact O-N 3.09Å; F568-A571 PolarHBondContact O-N 2.97Å; F568-M628 WeakPolarHBondContact O-CE 3.38Å
569K38.1Very low46.6Very low174 Ų17472.3 Ų72.376%0.75738%0.375SS*.THydrogen-bonded Turntrans-53.5-17.9169.4-96.8177.1170.2178.40114.2
570D40.4Very low46.2Very low113 Ų11378 Ų7860%0.60440%0.396SS*.THydrogen-bonded Turntrans-100.711.2-176.3-57.1-36.7000113.8F568 A572 T573F568-D570 PolarHBondContact O-N 3.12Å; F568-D570 VanDerWaalsContact O-N 3.09Å; D570-A572 PolarHBondContact O-N 2.7Å; D570-T573 PolarHBondContact O-N 3.12Å; D570-T573 PolarHBondContact O-OG1 3Å
571A42.2Very low46.3Very low12 Ų1275.2 Ų75.210%0.09939%0.39CS..THydrogen-bonded Turntrans-63.4-20.8176.600000113.1L563 F568 V575 W636L563-A571 HydrophobicContact CD2-CB 4.35Å; F568-A571 PolarHBondContact O-N 2.97Å; A571-V575 WeakPolarHBondContact O-CB 3.3Å; A571-V575 WeakPolarHBondContact O-CG2 3.45Å; A571-W636 HydrophobicContact CB-CZ2 3.95Å
572A41.4Very low46Very low30 Ų3075.6 Ų75.625%0.24839%0.392CS..THydrogen-bonded Turntrans-64.9-38.1177.200000112.8D570D570-A572 PolarHBondContact O-N 2.7Å
573T43.4Very low45.8Very low97 Ų9776.9 Ų76.960%0.59540%0.399SS*.Hα-helixtrans-80.9-32.3-177.140.70000113.1D570 V575D570-T573 PolarHBondContact O-N 3.12Å; D570-T573 PolarHBondContact O-OG1 3Å; T573-V575 PolarHBondContact O-N 3.15Å
574A42.5Very low45.5Very low41 Ų4180.8 Ų80.834%0.33942%0.42SS..Hα-helixtrans-71-12.9178.900000114.2
575V44.2Very low45.4Very low11 Ų1183.1 Ų83.17%0.06743%0.432CS..Hα-helixtrans-101.9-26.6-168.2168.40000112.4L563 A571 T573 E577 G579 L635L563-V575 HydrophobicContact CD1-CG1 4.01Å; L563-V575 HydrophobicContact CD1-CG2 3.62Å; L563-V575 HydrophobicContact CD2-CG2 3.8Å; L563-V575 HydrophobicContact CG-CG2 3.55Å; A571-V575 WeakPolarHBondContact O-CB 3.3Å; A571-V575 WeakPolarHBondContact O-CG2 3.45Å; T573-V575 PolarHBondContact O-N 3.15Å; V575-E577 PolarHBondContact O-N 2.77Å; V575-G579 PolarHBondContact O-N 3.47Å; V575-L635 HydrophobicContact CG1-CB 4.21Å; V575-L635 HydrophobicContact CG1-CD1 3.88Å; V575-L635 HydrophobicContact CG1-CD2 3.17Å; V575-L635 HydrophobicContact CG1-CG 3.89Å
576E43.2Very low45.4Very low154 Ų15480 Ų8072%0.7242%0.416SS*.Hα-helixtrans-65.1-26.7174.5-72.6-175.1161.400112.6
577E41.6Very low45.8Very low152 Ų15282 Ų8271%0.7143%0.429SS*.THydrogen-bonded Turntrans-89.3-20.9-178.7-72.9-169.4149.500115.4V575V575-E577 PolarHBondContact O-N 2.77Å
578K42.7Very low46.4Very low110 Ų11079.2 Ų79.248%0.47841%0.413SS..THydrogen-bonded Turntrans-116.49.6-174.8-72.7-173.4177.6179.90114.7K580K578-K580 PolarHBondContact O-N 3.16Å
579G39.4Very low47.6Very low42 Ų4274.8 Ų74.843%0.43339%0.394SS..  trans-68.739-168.600000118.7V575 E581V575-G579 PolarHBondContact O-N 3.47Å; G579-E581 PolarHBondContact O-N 3.35Å
580K42.2Very low48.7Very low201 Ų20166.5 Ų66.587%0.87436%0.358SS*.SBendtrans-93.491.5164.8-69.9-171.2179-178.20109.5K578K578-K580 PolarHBondContact O-N 3.16Å
581E53.4Low49.6Very low116 Ų11663.2 Ų63.254%0.54234%0.343SS..  trans64.782.3166.4-65.8-170.1146.400118.4G579 T583G579-E581 PolarHBondContact O-N 3.35Å; E581-T583 PolarHBondContact O-N 3.49Å
582P52.3Low50.4Low23 Ų2362.7 Ų62.715%0.14934%0.339CS..Hα-helixtrans-66.1-16.4168.824.5-31.7000114.2L584 L585 V586 L635 F639P582-L584 PolarHBondContact O-N 2.82Å; P582-L585 PolarHBondContact O-N 3.46Å; P582-V586 HydrophobicContact CB-CG2 4.38Å; P582-V586 WeakPolarHBondContact O-CB 3.49Å; P582-V586 WeakPolarHBondContact O-CG2 3.3Å; P582-V586 PolarHBondContact O-N 3.43Å; P582-L635 HydrophobicContact CG-CD2 4.39Å; P582-F639 HydrophobicContact CB-CD2 3.81Å; P582-F639 HydrophobicContact CB-CE2 4.41Å; P582-F639 HydrophobicContact CG-CD2 4.48Å
583T52.2Low51.3Low68 Ų6861.3 Ų61.342%0.41733%0.327SS..Hα-helixtrans-54.8-50.1-169.1-4.80000113.9E581 V586 S587 S642E581-T583 PolarHBondContact O-N 3.49Å; T583-V586 PolarHBondContact O-N 2.82Å; T583-S587 WeakPolarHBondContact O-CB 3.46Å; T583-S587 PolarHBondContact O-N 3.01Å; T583-S642 WeakPolarHBondContact CG2-OG 3.29Å
584L52Low52Low86 Ų8657.9 Ų57.945%0.4531%0.307SS..Hα-helixtrans-73-40.1-177-101.6157.3000112.3F529 P582 V586 S587 F588F529-L584 HydrophobicContact CE2-CD1 4.47Å; P582-L584 PolarHBondContact O-N 2.82Å; L584-V586 VanDerWaalsContact C-N 3.31Å; L584-S587 PolarHBondContact O-N 2.91Å; L584-F588 WeakPolarHBondContact O-CB 3.26Å; L584-F588 PolarHBondContact O-N 3.05Å
585L55Low52.4Low49 Ų4957.3 Ų57.326%0.25730%0.301SS..Hα-helixtrans-63.5-39.8174.5-101.1154.6000110.9L557 Y560 F564 P582 F588 F589L557-L585 HydrophobicContact CD2-CD2 3.28Å; Y560-L585 HydrophobicContact CD1-CD1 4.09Å; F564-L585 HydrophobicContact CE2-CB 3.93Å; F564-L585 HydrophobicContact CE2-CD2 3.98Å; F564-L585 HydrophobicContact CZ-CB 3.94Å; F564-L585 VanDerWaalsContact CZ-O 3.32Å; F564-L585 WeakPolarHBondContact CZ-O 3.38Å; P582-L585 PolarHBondContact O-N 3.46Å; L585-F588 PolarHBondContact O-N 3.27Å; L585-F589 VanDerWaalsContact O-CB 3.24Å; L585-F589 WeakPolarHBondContact O-CB 3.28Å; L585-F589 PolarHBondContact O-N 3.4Å
586V58.3Low52.4Low0 Ų061.1 Ų61.10%033%0.328CS..Hα-helixtrans-66.4-43.1175.1168.80000110F564 P582 T583 L584 F588 F589 T590 F639 V643F564-V586 HydrophobicContact CE1-CB 4.26Å; F564-V586 HydrophobicContact CE1-CG2 3.72Å; F564-V586 HydrophobicContact CZ-CB 4.28Å; F564-V586 HydrophobicContact CZ-CG2 3.72Å; P582-V586 HydrophobicContact CB-CG2 4.38Å; P582-V586 WeakPolarHBondContact O-CB 3.49Å; P582-V586 WeakPolarHBondContact O-CG2 3.3Å; P582-V586 PolarHBondContact O-N 3.43Å; T583-V586 PolarHBondContact O-N 2.82Å; L584-V586 VanDerWaalsContact C-N 3.31Å; V586-F588 VanDerWaalsContact C-N 3.34Å; V586-F588 PolarHBondContact O-N 3.42Å; V586-F589 PolarHBondContact O-N 2.89Å; V586-T590 HydrophobicContact CG1-CG2 4.12Å; V586-T590 VanDerWaalsContact O-CB 3.3Å; V586-T590 WeakPolarHBondContact O-CB 3.26Å; V586-T590 VanDerWaalsContact O-CG2 3.28Å; V586-T590 WeakPolarHBondContact O-CG2 3.27Å; V586-T590 PolarHBondContact O-N 3.5Å; V586-T590 PolarHBondContact O-OG1 3.48Å; V586-F639 HydrophobicContact CG2-CD2 3.53Å; V586-F639 HydrophobicContact CG2-CE2 3.17Å; V586-F639 HydrophobicContact CG2-CG 4.4Å; V586-F639 HydrophobicContact CG2-CZ 3.81Å; V586-V643 HydrophobicContact CG1-CB 4.2Å; V586-V643 HydrophobicContact CG1-CG2 3.5Å; V586-V643 VanDerWaalsContact CG1-CG2 3.5Å; V586-V643 HydrophobicContact CG2-CG2 4.4Å
587S56.3Low51.9Low48 Ų4855.7 Ų55.734%0.33630%0.304SS..Hα-helixtrans-64.9-38.1177.4-147.50000112.3T583 L584 T590 S591 S646T583-S587 WeakPolarHBondContact O-CB 3.46Å; T583-S587 PolarHBondContact O-N 3.01Å; L584-S587 PolarHBondContact O-N 2.91Å; S587-T590 WeakPolarHBondContact CA-OG1 3.45Å; S587-T590 PolarHBondContact O-OG1 3.15Å; S587-T590 VanDerWaalsContact O-OG1 3.14Å; S587-S591 WeakPolarHBondContact O-CB 3.45Å; S587-S591 PolarHBondContact O-N 3.49Å; S587-S591 PolarHBondContact O-OG 2.79Å; S587-S646 PolarHBondContact OG-OG 3.35Å
588F56.3Low51.4Low44 Ų4452.5 Ų52.519%0.19330%0.296CS..Hα-helixtrans-65.5-49.3173.2-179.3-99000111.6V536 V539 I553 L557 L584 L585 V586 S591 L592V536-F588 HydrophobicContact CB-CD2 4.22Å; V536-F588 HydrophobicContact CB-CE2 4.18Å; V536-F588 HydrophobicContact CG1-CD2 3.57Å; V536-F588 HydrophobicContact CG1-CE2 3.72Å; V536-F588 HydrophobicContact CG2-CD2 3.74Å; V536-F588 HydrophobicContact CG2-CE2 3.89Å; V539-F588 HydrophobicContact CG1-CZ 4.19Å; I553-F588 HydrophobicContact CG2-CE1 4.2Å; L557-F588 HydrophobicContact CD1-CD1 4.16Å; L557-F588 HydrophobicContact CD1-CE1 4.08Å; L557-F588 HydrophobicContact CD2-CD1 4.13Å; L557-F588 HydrophobicContact CD2-CE1 4.47Å; L584-F588 WeakPolarHBondContact O-CB 3.26Å; L584-F588 PolarHBondContact O-N 3.05Å; L585-F588 PolarHBondContact O-N 3.27Å; V586-F588 VanDerWaalsContact C-N 3.34Å; V586-F588 PolarHBondContact O-N 3.42Å; F588-S591 PolarHBondContact O-N 3.47Å; F588-L592 HydrophobicContact CE1-CD1 3.8Å; F588-L592 HydrophobicContact CZ-CD1 3.78Å; F588-L592 VanDerWaalsContact O-CB 3.29Å; F588-L592 WeakPolarHBondContact O-CB 3.46Å; F588-L592 PolarHBondContact O-N 2.92Å
589F63.3Low50.6Low0 Ų052.6 Ų52.60%031%0.311CS..Hα-helixtrans-62-46.4179.3176.5-99.1000112.3M554 L557 F564 L585 V586 L592 L593 F621M554-F589 HydrophobicContact CE-CE2 3.53Å; M554-F589 HydrophobicContact CE-CZ 4.12Å; M554-F589 HydrophobicContact SD-CD2 4.03Å; M554-F589 HydrophobicContact SD-CE2 3.56Å; M554-F589 VanDerWaalsContact SD-CE2 3.56Å; L557-F589 HydrophobicContact CD1-CD2 4.05Å; F564-F589 HydrophobicContact CB-CD2 4.04Å; F564-F589 HydrophobicContact CB-CE2 3.67Å; F564-F589 HydrophobicContact CB-CZ 3.93Å; F564-F589 HydrophobicContact CD1-CB 3.71Å; F564-F589 AromaticContact CD1-CD1 3.25Å; F564-F589 HydrophobicContact CD1-CD1 3.25Å; F564-F589 AromaticContact CD1-CD2 3.51Å; F564-F589 HydrophobicContact CD1-CD2 3.51Å; F564-F589 AromaticContact CD1-CE1 3.54Å; F564-F589 HydrophobicContact CD1-CE1 3.54Å; F564-F589 AromaticContact CD1-CE2 3.77Å; F564-F589 HydrophobicContact CD1-CE2 3.77Å; F564-F589 AromaticContact CD1-CG 3.21Å; F564-F589 HydrophobicContact CD1-CG 3.21Å; F564-F589 AromaticContact CD1-CZ 3.78Å; F564-F589 HydrophobicContact CD1-CZ 3.78Å; F564-F589 HydrophobicContact CD2-CD2 4.41Å; F564-F589 HydrophobicContact CE1-CB 3.38Å; F564-F589 AromaticContact CE1-CD1 3.54Å; F564-F589 HydrophobicContact CE1-CD1 3.54Å; F564-F589 HydrophobicContact CE1-CD2 4.12Å; F564-F589 HydrophobicContact CE1-CE1 4.25Å; F564-F589 AromaticContact CE1-CG 3.44Å; F564-F589 HydrophobicContact CE1-CG 3.44Å; F564-F589 VanDerWaalsContact CE1-CG 3.44Å; F564-F589 HydrophobicContact CE2-CB 4.43Å; F564-F589 HydrophobicContact CG-CB 4.4Å; F564-F589 HydrophobicContact CG-CD1 4.27Å; F564-F589 AromaticContact CG-CD2 3.72Å; F564-F589 HydrophobicContact CG-CD2 3.72Å; F564-F589 HydrophobicContact CG-CE1 4.4Å; F564-F589 AromaticContact CG-CE2 3.86Å; F564-F589 HydrophobicContact CG-CE2 3.86Å; F564-F589 AromaticContact CG-CG 3.91Å; F564-F589 HydrophobicContact CG-CG 3.91Å; F564-F589 HydrophobicContact CG-CZ 4.19Å; F564-F589 HydrophobicContact CZ-CB 3.82Å; F564-F589 HydrophobicContact CZ-CG 4.26Å; F564-F589 WeakPolarHBondContact O-CZ 3.28Å; L585-F589 VanDerWaalsContact O-CB 3.24Å; L585-F589 WeakPolarHBondContact O-CB 3.28Å; L585-F589 PolarHBondContact O-N 3.4Å; V586-F589 PolarHBondContact O-N 2.89Å; F589-L592 WeakPolarHBondContact O-CB 3.45Å; F589-L592 PolarHBondContact O-N 2.92Å; F589-L593 HydrophobicContact CD1-CD1 3.69Å; F589-L593 HydrophobicContact CD2-CD1 4.3Å; F589-L593 HydrophobicContact CE1-CD1 3.23Å; F589-L593 HydrophobicContact CE1-CG 4.48Å; F589-L593 HydrophobicContact CE2-CD1 3.92Å; F589-L593 HydrophobicContact CG-CD1 4.22Å; F589-L593 HydrophobicContact CZ-CD1 3.38Å; F589-L593 VanDerWaalsContact O-CG 3.3Å; F589-L593 WeakPolarHBondContact O-CG 3.43Å; F589-L593 PolarHBondContact O-N 3.35Å; F589-F621 HydrophobicContact CE1-CD1 4.17Å; F589-F621 HydrophobicContact CE1-CD2 4.05Å; F589-F621 HydrophobicContact CE1-CE1 4.16Å; F589-F621 HydrophobicContact CE1-CE2 4.1Å; F589-F621 HydrophobicContact CE1-CG 4.09Å; F589-F621 HydrophobicContact CE1-CZ 4.12Å; F589-F621 HydrophobicContact CZ-CD2 4.1Å; F589-F621 HydrophobicContact CZ-CE2 4.32Å; F589-F621 HydrophobicContact CZ-CG 4.44Å
590T61Low50Low0 Ų055 Ų550%033%0.327CS..Hα-helixtrans-64.4-44.317749.80000110.3V586 S587 L592 L593 S594 V643 S646 C647V586-T590 HydrophobicContact CG1-CG2 4.12Å; V586-T590 VanDerWaalsContact O-CB 3.3Å; V586-T590 WeakPolarHBondContact O-CB 3.26Å; V586-T590 VanDerWaalsContact O-CG2 3.28Å; V586-T590 WeakPolarHBondContact O-CG2 3.27Å; V586-T590 PolarHBondContact O-N 3.5Å; V586-T590 PolarHBondContact O-OG1 3.48Å; S587-T590 WeakPolarHBondContact CA-OG1 3.45Å; S587-T590 PolarHBondContact O-OG1 3.15Å; S587-T590 VanDerWaalsContact O-OG1 3.14Å; T590-L592 VanDerWaalsContact C-N 3.31Å; T590-L592 PolarHBondContact O-N 3.01Å; T590-L593 CarbonylContact O-C 3.56Å; T590-L593 PolarHBondContact O-N 3.34Å; T590-L593 VanDerWaalsContact O-N 3.1Å; T590-S594 WeakPolarHBondContact O-CA 3.37Å; T590-S594 WeakPolarHBondContact O-CB 3.39Å; T590-S594 PolarHBondContact O-N 3.44Å; T590-S594 PolarHBondContact O-OG 3.34Å; T590-V643 HydrophobicContact CG2-CG1 4.44Å; T590-S646 WeakPolarHBondContact OG1-CB 3.3Å; T590-C647 HydrophobicContact CG2-CB 4.18Å; T590-C647 WeakPolarHBondContact CG2-SG 3.4Å
591S58.8Low49.2Very low43 Ų4348.3 Ų48.330%0.30130%0.304SS..Hα-helixtrans-60.4-37.3173-700000112.7S587 F588 L593 S594 S595S587-S591 WeakPolarHBondContact O-CB 3.45Å; S587-S591 PolarHBondContact O-N 3.49Å; S587-S591 PolarHBondContact O-OG 2.79Å; F588-S591 PolarHBondContact O-N 3.47Å; S591-L593 VanDerWaalsContact C-N 3.28Å; S591-L593 PolarHBondContact O-N 2.91Å; S591-S594 PolarHBondContact O-N 2.82Å; S591-S595 WeakPolarHBondContact O-CB 3.44Å; S591-S595 PolarHBondContact O-N 3.24Å; S591-S595 PolarHBondContact O-OG 3.03Å
592L59.6Low47.9Very low2 Ų250.1 Ų50.11%0.0132%0.318CS..Hα-helixtrans-64.2-33175.5-159.3113.1000112.8L540 A543 F550 I553 M554 F588 F589 T590L540-L592 HydrophobicContact CD2-CB 3.74Å; L540-L592 HydrophobicContact CD2-CD1 3.59Å; L540-L592 HydrophobicContact CD2-CG 3.83Å; L540-L592 HydrophobicContact CG-CD1 4.45Å; A543-L592 HydrophobicContact CB-CD1 4.27Å; F550-L592 HydrophobicContact CD2-CD2 3.65Å; F550-L592 HydrophobicContact CD2-CG 4.35Å; F550-L592 HydrophobicContact CE2-CD2 3.3Å; F550-L592 HydrophobicContact CE2-CG 4.09Å; F550-L592 HydrophobicContact CZ-CD2 4.15Å; I553-L592 HydrophobicContact CG2-CD1 3.99Å; I553-L592 HydrophobicContact CG2-CD2 4.13Å; M554-L592 HydrophobicContact SD-CD2 4.25Å; F588-L592 HydrophobicContact CE1-CD1 3.8Å; F588-L592 HydrophobicContact CZ-CD1 3.78Å; F588-L592 VanDerWaalsContact O-CB 3.29Å; F588-L592 WeakPolarHBondContact O-CB 3.46Å; F588-L592 PolarHBondContact O-N 2.92Å; F589-L592 WeakPolarHBondContact O-CB 3.45Å; F589-L592 PolarHBondContact O-N 2.92Å; T590-L592 VanDerWaalsContact C-N 3.31Å; T590-L592 PolarHBondContact O-N 3.01Å
593L60.5Low46.7Very low0 Ų054.5 Ų54.50%034%0.34CS..Hα-helixtrans-92.7-20.2-179.6-67.1176.3000113.8F550 F589 T590 S591 R614 I617 L618F550-L593 HydrophobicContact CE2-CD2 4.16Å; F550-L593 HydrophobicContact CZ-CD2 3.62Å; F589-L593 HydrophobicContact CD1-CD1 3.69Å; F589-L593 HydrophobicContact CD2-CD1 4.3Å; F589-L593 HydrophobicContact CE1-CD1 3.23Å; F589-L593 HydrophobicContact CE1-CG 4.48Å; F589-L593 HydrophobicContact CE2-CD1 3.92Å; F589-L593 HydrophobicContact CG-CD1 4.22Å; F589-L593 HydrophobicContact CZ-CD1 3.38Å; F589-L593 VanDerWaalsContact O-CG 3.3Å; F589-L593 WeakPolarHBondContact O-CG 3.43Å; F589-L593 PolarHBondContact O-N 3.35Å; T590-L593 CarbonylContact O-C 3.56Å; T590-L593 PolarHBondContact O-N 3.34Å; T590-L593 VanDerWaalsContact O-N 3.1Å; S591-L593 VanDerWaalsContact C-N 3.28Å; S591-L593 PolarHBondContact O-N 2.91Å; L593-R614 HydrophobicContact CD2-CB 4.19Å; L593-I617 HydrophobicContact CD1-CG2 4.21Å; L593-I617 HydrophobicContact CD2-CB 4.18Å; L593-I617 HydrophobicContact CD2-CG2 3.92Å; L593-L618 HydrophobicContact CB-CB 4.25Å; L593-L618 HydrophobicContact CB-CD1 3.7Å; L593-L618 HydrophobicContact CB-CG 4.43Å; L593-L618 HydrophobicContact CD1-CB 4.21Å; L593-L618 HydrophobicContact CD1-CD1 3.51Å; L593-L618 HydrophobicContact CD1-CG 4.48Å; L593-L618 HydrophobicContact CG-CD1 4.27Å
594S56.8Low45.7Very low25 Ų2560.6 Ų60.618%0.17536%0.364CS..Hα-helixtrans-115.3-8.7-169.484.50000114.3T590 S591 I650T590-S594 WeakPolarHBondContact O-CA 3.37Å; T590-S594 WeakPolarHBondContact O-CB 3.39Å; T590-S594 PolarHBondContact O-N 3.44Å; T590-S594 PolarHBondContact O-OG 3.34Å; S591-S594 PolarHBondContact O-N 2.82Å; S594-I650 WeakPolarHBondContact OG-CD1 3.22Å
595S52.3Low44.9Very low29 Ų2958.9 Ų58.920%0.20336%0.355CS..PPolyproline II helixtrans-76126.1177.947.90000112.3Q544 S591Q544-S595 PolarHBondContact NE2-O 2.79Å; Q544-S595 PolarHBondContact NE2-OG 3Å; S591-S595 WeakPolarHBondContact O-CB 3.44Å; S591-S595 PolarHBondContact O-N 3.24Å; S591-S595 PolarHBondContact O-OG 3.03Å
596S43.5Very low43.9Very low92 Ų9259.7 Ų59.764%0.64336%0.357SS*.PPolyproline II helixtrans-79.8142.3158.951.80000109.5
597L33.3Very low43.1Very low39 Ų3962 Ų6220%0.20437%0.373CS..PPolyproline II helixtrans-53.9141.4-177.7-127.7113.3000111.4Q544 S599 C601 E606Q544-L597 HydrophobicContact CB-CD1 3.9Å; L597-S599 PolarHBondContact O-N 3.34Å; L597-C601 HydrophobicContact CD2-CB 3.51Å; L597-E606 VanDerWaalsContact CD1-CD 3.42Å; L597-E606 HydrophobicContact CD1-CG 4.18Å; L597-E606 WeakPolarHBondContact CD1-OE1 3.46Å
598P29.5Very low42.2Very low85 Ų8563.5 Ų63.555%0.55238%0.384SS*.PPolyproline II helixtrans-61.6137170-15.929.2000109.5A600 C601P598-A600 PolarHBondContact O-N 3.26Å; P598-C601 PolarHBondContact O-N 3.48Å
599S26.7Very low41Very low113 Ų11365.4 Ų65.479%0.7940%0.399SS*.THydrogen-bonded Turntrans-57.62.4-179.352.20000115.9L597 C601L597-S599 PolarHBondContact O-N 3.34Å; S599-C601 VanDerWaalsContact C-N 3.29Å
600A26.2Very low40Very low92 Ų9265.9 Ų65.976%0.7640%0.403SS*.THydrogen-bonded Turntrans-74.3-1817600000113.3P598P598-A600 PolarHBondContact O-N 3.26Å
601C26.8Very low39.4Very low60 Ų6068 Ų6841%0.40541%0.414SS..SBendtrans-96.997168.9-630000108L597 P598 S599 D603L597-C601 HydrophobicContact CD2-CB 3.51Å; P598-C601 PolarHBondContact O-N 3.48Å; S599-C601 VanDerWaalsContact C-N 3.29Å; C601-D603 PolarHBondContact O-N 2.99Å
602N25.9Very low38.9Very low155 Ų15569.5 Ų69.583%0.82942%0.418SS*.  trans-64.222.3177.8-83.9-24.3000114.6E604N602-E604 PolarHBondContact O-N 2.98Å
603D27.3Very low38.4Very low115 Ų11573.9 Ų73.962%0.61544%0.437SS*.  trans-86.791173.6-86.7-35.2000109.6C601 N605 E606C601-D603 PolarHBondContact O-N 2.99Å; D603-N605 PolarHBondContact O-N 3.37Å; D603-E606 PolarHBondContact O-N 2.95Å
604E30.3Very low38.3Very low195 Ų19574 Ų7491%0.91144%0.438SS*.THydrogen-bonded Turntrans-57.62.2166.1-64.9-171157.500113.5N602N602-E604 PolarHBondContact O-N 2.98Å
605N34.8Very low38.3Very low50 Ų5073.9 Ų73.927%0.26744%0.435SS..THydrogen-bonded Turntrans-104.315.1-176.9-76.1-40.7000114.4I330 D603 S607I330-N605 WeakPolarHBondContact CG1-OD1 3.39Å; D603-N605 PolarHBondContact O-N 3.37Å; N605-S607 PolarHBondContact O-N 3.33Å
606E35.2Very low38.5Very low66 Ų6675.7 Ų75.731%0.30845%0.448SS..  trans-51.3115.9173.2-150-165.6173.300108.9L597 D603 S608 R614L597-E606 VanDerWaalsContact CD1-CD 3.42Å; L597-E606 HydrophobicContact CD1-CG 4.18Å; L597-E606 WeakPolarHBondContact CD1-OE1 3.46Å; D603-E606 PolarHBondContact O-N 2.95Å; E606-S608 PolarHBondContact O-N 3.48Å; E606-R614 IonicContact OE1-NH1 2.74Å; E606-R614 IonicContact OE1-NH2 3.16Å; E606-R614 PolarHBondContact OE1-NH2 2.96Å
607S40.3Very low39.2Very low48 Ų4873 Ų7334%0.33643%0.426SS..  trans-59.2119.5-168.7710000108.7N605 V609 S610N605-S607 PolarHBondContact O-N 3.33Å; S607-V609 PolarHBondContact O-N 2.99Å; S607-S610 PolarHBondContact O-N 2.99Å; S607-S610 WeakPolarHBondContact OG-CB 3.38Å; S607-S610 PolarHBondContact OG-N 2.99Å
608S37.3Very low40.7Very low80 Ų8071.1 Ų71.156%0.55942%0.416SS*.Hα-helixtrans-47.4-22170.9560000112.8E606 N612E606-S608 PolarHBondContact O-N 3.48Å; S608-N612 WeakPolarHBondContact O-CB 3.33Å; S608-N612 PolarHBondContact O-N 3.4Å; S608-N612 VanDerWaalsContact O-N 3.09Å; S608-N612 PolarHBondContact O-ND2 2.9Å
609V30.8Very low42.2Very low85 Ų8571.2 Ų71.252%0.51541%0.406SS..Hα-helixtrans-68.1-46.2174.9-1740000113S607 F613S607-V609 PolarHBondContact O-N 2.99Å; V609-F613 VanDerWaalsContact O-CB 3.23Å; V609-F613 WeakPolarHBondContact O-CB 3.41Å; V609-F613 PolarHBondContact O-N 3.29Å
610S43.8Very low43.8Very low10 Ų1071.5 Ų71.57%0.0739%0.39CS..Hα-helixtrans-65.9-46.8-179.2168.70000111.5S607 F613 R614S607-S610 PolarHBondContact O-N 2.99Å; S607-S610 WeakPolarHBondContact OG-CB 3.38Å; S607-S610 PolarHBondContact OG-N 2.99Å; S610-F613 PolarHBondContact O-N 3.24Å; S610-R614 WeakPolarHBondContact O-CG 3.44Å; S610-R614 PolarHBondContact O-N 3.43Å; S610-R614 VanDerWaalsContact O-N 3.09Å; S610-R614 PolarHBondContact OG-NE 3.4Å; S610-R614 PolarHBondContact OG-NH2 3.44Å
611N46.8Very low45.7Very low45 Ų4567.4 Ų67.424%0.24136%0.355CS..Hα-helixtrans-69.4-39.2-180-141.8-7.4000111.2L615N611-L615 WeakPolarHBondContact O-CB 3.38Å; N611-L615 VanDerWaalsContact O-CD1 3.25Å; N611-L615 WeakPolarHBondContact O-CD1 3.48Å; N611-L615 PolarHBondContact O-N 3.39Å; N611-L615 VanDerWaalsContact O-N 3.07Å
612N49.4Very low47.5Very low73 Ų7364.7 Ų64.739%0.3934%0.336SS..Hα-helixtrans-65.7-36.9172.6-78-26.3000112.9S608 L615 S616 R654S608-N612 WeakPolarHBondContact O-CB 3.33Å; S608-N612 PolarHBondContact O-N 3.4Å; S608-N612 VanDerWaalsContact O-N 3.09Å; S608-N612 PolarHBondContact O-ND2 2.9Å; N612-L615 PolarHBondContact O-N 3.34Å; N612-S616 WeakPolarHBondContact O-CB 3.5Å; N612-S616 PolarHBondContact O-N 3.29Å; N612-S616 PolarHBondContact O-OG 2.9Å; N612-R654 PolarHBondContact OD1-NH1 2.99Å; N612-R654 PolarHBondContact OD1-NH2 3.33Å; N612-R654 VanDerWaalsContact OD1-NH2 3.16Å
613F49.6Very low49.1Very low94 Ų9463.1 Ų63.141%0.41232%0.319SS..Hα-helixtrans-64.1-45.9177.4178.5-105.2000112.3F550 V609 S610 L615 S616 I617F550-F613 HydrophobicContact CD1-CE1 4.36Å; F550-F613 HydrophobicContact CE1-CE1 4.07Å; V609-F613 VanDerWaalsContact O-CB 3.23Å; V609-F613 WeakPolarHBondContact O-CB 3.41Å; V609-F613 PolarHBondContact O-N 3.29Å; S610-F613 PolarHBondContact O-N 3.24Å; F613-L615 VanDerWaalsContact C-N 3.32Å; F613-L615 PolarHBondContact O-N 3.14Å; F613-S616 PolarHBondContact O-N 3.08Å; F613-I617 HydrophobicContact CD1-CD1 3.97Å; F613-I617 HydrophobicContact CE1-CD1 3.46Å; F613-I617 VanDerWaalsContact CE1-CD1 3.46Å; F613-I617 HydrophobicContact CE2-CD1 4.33Å; F613-I617 HydrophobicContact CZ-CD1 3.67Å; F613-I617 HydrophobicContact CZ-CG1 4.46Å; F613-I617 WeakPolarHBondContact O-CG1 3.47Å; F613-I617 PolarHBondContact O-N 3.06Å
614R57.1Low50.8Low3 Ų359.3 Ų59.31%0.01130%0.299CS..Hα-helixtrans-61.7-41.8175.4-64.1179.4-143151.7-1111.3Q544 F550 L593 E606 S610 I617 L618Q544-R614 PolarHBondContact O-NH2 2.93Å; F550-R614 HydrophobicContact CE2-CG 3.89Å; F550-R614 HydrophobicContact CZ-CG 3.93Å; L593-R614 HydrophobicContact CD2-CB 4.19Å; E606-R614 IonicContact OE1-NH1 2.74Å; E606-R614 IonicContact OE1-NH2 3.16Å; E606-R614 PolarHBondContact OE1-NH2 2.96Å; S610-R614 WeakPolarHBondContact O-CG 3.44Å; S610-R614 PolarHBondContact O-N 3.43Å; S610-R614 VanDerWaalsContact O-N 3.09Å; S610-R614 PolarHBondContact OG-NE 3.4Å; S610-R614 PolarHBondContact OG-NH2 3.44Å; R614-I617 PolarHBondContact O-N 3.04Å; R614-L618 PolarHBondContact O-N 3.18Å
615L57.6Low52.4Low23 Ų2350.6 Ų50.612%0.1226%0.258CS..Hα-helixtrans-69.5-32.9175.8-80.2148000113.2N611 N612 F613 L618 W619 I650 R654N611-L615 WeakPolarHBondContact O-CB 3.38Å; N611-L615 VanDerWaalsContact O-CD1 3.25Å; N611-L615 WeakPolarHBondContact O-CD1 3.48Å; N611-L615 PolarHBondContact O-N 3.39Å; N611-L615 VanDerWaalsContact O-N 3.07Å; N612-L615 PolarHBondContact O-N 3.34Å; F613-L615 VanDerWaalsContact C-N 3.32Å; F613-L615 PolarHBondContact O-N 3.14Å; L615-L618 HydrophobicContact CD2-CD2 4.36Å; L615-L618 PolarHBondContact O-N 2.93Å; L615-W619 WeakPolarHBondContact O-CB 3.28Å; L615-W619 PolarHBondContact O-N 3.38Å; L615-I650 HydrophobicContact CD2-CG2 4.48Å; L615-R654 HydrophobicContact CD2-CG 4.49Å
616S55.6Low53.5Low66 Ų6651.8 Ų51.846%0.46226%0.264SS..Hα-helixtrans-66.8-38.9172.5-70.70000111.5N612 F613 W619 Y620N612-S616 WeakPolarHBondContact O-CB 3.5Å; N612-S616 PolarHBondContact O-N 3.29Å; N612-S616 PolarHBondContact O-OG 2.9Å; F613-S616 PolarHBondContact O-N 3.08Å; S616-W619 PolarHBondContact O-N 3.39Å; S616-Y620 WeakPolarHBondContact O-CB 3.29Å; S616-Y620 PolarHBondContact O-N 2.96Å
617I59.7Low54.4Low35 Ų3552.5 Ų52.518%0.17928%0.276CS..Hα-helixtrans-63.2-46.2171.7-70171.9000109.9F550 M554 L593 F613 R614 W619 Y620 F621F550-I617 HydrophobicContact CE1-CD1 3.78Å; F550-I617 HydrophobicContact CZ-CD1 4.25Å; M554-I617 HydrophobicContact CE-CG2 3.76Å; L593-I617 HydrophobicContact CD1-CG2 4.21Å; L593-I617 HydrophobicContact CD2-CB 4.18Å; L593-I617 HydrophobicContact CD2-CG2 3.92Å; F613-I617 HydrophobicContact CD1-CD1 3.97Å; F613-I617 HydrophobicContact CE1-CD1 3.46Å; F613-I617 VanDerWaalsContact CE1-CD1 3.46Å; F613-I617 HydrophobicContact CE2-CD1 4.33Å; F613-I617 HydrophobicContact CZ-CD1 3.67Å; F613-I617 HydrophobicContact CZ-CG1 4.46Å; F613-I617 WeakPolarHBondContact O-CG1 3.47Å; F613-I617 PolarHBondContact O-N 3.06Å; R614-I617 PolarHBondContact O-N 3.04Å; I617-W619 VanDerWaalsContact C-N 3.27Å; I617-W619 PolarHBondContact O-N 3.13Å; I617-Y620 PolarHBondContact O-N 3.27Å; I617-F621 WeakPolarHBondContact O-CB 3.47Å; I617-F621 PolarHBondContact O-N 2.93Å
618L63.2Low55.1Low1 Ų152 Ų521%0.00527%0.269CS..Hα-helixtrans-60.5-36.7176.6-164.276.9000112L593 R614 L615 F621 F622 L651L593-L618 HydrophobicContact CB-CB 4.25Å; L593-L618 HydrophobicContact CB-CD1 3.7Å; L593-L618 HydrophobicContact CB-CG 4.43Å; L593-L618 HydrophobicContact CD1-CB 4.21Å; L593-L618 HydrophobicContact CD1-CD1 3.51Å; L593-L618 HydrophobicContact CD1-CG 4.48Å; L593-L618 HydrophobicContact CG-CD1 4.27Å; R614-L618 PolarHBondContact O-N 3.18Å; L615-L618 HydrophobicContact CD2-CD2 4.36Å; L615-L618 PolarHBondContact O-N 2.93Å; L618-F621 WeakPolarHBondContact O-CB 3.19Å; L618-F622 WeakPolarHBondContact O-CB 3.36Å; L618-F622 PolarHBondContact O-N 3.5Å; L618-L651 HydrophobicContact CD2-CD2 4.03Å; L618-L651 HydrophobicContact CD2-CG 4.44Å; L618-L651 HydrophobicContact CG-CD2 4.41Å
619W61.7Low55.8Low87 Ų8757.5 Ų57.533%0.3328%0.282SS..Hα-helixtrans-71.3-46.1175.4178.677000112.5L615 S616 I617 F621 F622 R623L615-W619 WeakPolarHBondContact O-CB 3.28Å; L615-W619 PolarHBondContact O-N 3.38Å; S616-W619 PolarHBondContact O-N 3.39Å; I617-W619 VanDerWaalsContact C-N 3.27Å; I617-W619 PolarHBondContact O-N 3.13Å; W619-F621 PolarHBondContact O-N 3.2Å; W619-F622 PolarHBondContact O-N 3.47Å; W619-F622 VanDerWaalsContact O-N 3.15Å; W619-R623 WeakPolarHBondContact O-CB 3.37Å; W619-R623 PolarHBondContact O-N 3.43Å
620Y59.9Low56.8Low119 Ų11958 Ų5847%0.46728%0.278SS..Hα-helixtrans-59.8-40176.4-122.5-79.8000111.2S616 I617 N624S616-Y620 WeakPolarHBondContact O-CB 3.29Å; S616-Y620 PolarHBondContact O-N 2.96Å; I617-Y620 PolarHBondContact O-N 3.27Å; Y620-N624 WeakPolarHBondContact O-CB 3.22Å; Y620-N624 PolarHBondContact O-N 2.84Å; Y620-N624 PolarHBondContact O-ND2 3.33Å
621F66Low57.1Low5 Ų558.9 Ų58.92%0.02228%0.282CS..Hα-helixtrans-57.2-53.3172.9-175.1-101.6000111.6L563 F564 P566 F589 I617 L618 W619 N624 L625 F639 V643L563-F621 WeakPolarHBondContact O-CE2 3.14Å; F564-F621 VanDerWaalsContact CA-CE2 3.41Å; F564-F621 HydrophobicContact CD1-CE2 4.41Å; F564-F621 HydrophobicContact CD1-CZ 4.26Å; F564-F621 WeakPolarHBondContact O-CD2 3.48Å; F564-F621 VanDerWaalsContact O-CE2 3.26Å; F564-F621 WeakPolarHBondContact O-CE2 3.47Å; P566-F621 HydrophobicContact CG-CD2 3.93Å; P566-F621 HydrophobicContact CG-CE2 3.9Å; F589-F621 HydrophobicContact CE1-CD1 4.17Å; F589-F621 HydrophobicContact CE1-CD2 4.05Å; F589-F621 HydrophobicContact CE1-CE1 4.16Å; F589-F621 HydrophobicContact CE1-CE2 4.1Å; F589-F621 HydrophobicContact CE1-CG 4.09Å; F589-F621 HydrophobicContact CE1-CZ 4.12Å; F589-F621 HydrophobicContact CZ-CD2 4.1Å; F589-F621 HydrophobicContact CZ-CE2 4.32Å; F589-F621 HydrophobicContact CZ-CG 4.44Å; I617-F621 WeakPolarHBondContact O-CB 3.47Å; I617-F621 PolarHBondContact O-N 2.93Å; L618-F621 WeakPolarHBondContact O-CB 3.19Å; W619-F621 PolarHBondContact O-N 3.2Å; F621-N624 PolarHBondContact O-N 2.92Å; F621-L625 HydrophobicContact CD1-CD1 3.93Å; F621-L625 HydrophobicContact CE1-CD1 3.42Å; F621-L625 VanDerWaalsContact CE1-CD1 3.42Å; F621-L625 HydrophobicContact CZ-CD1 3.87Å; F621-L625 WeakPolarHBondContact O-CB 3.39Å; F621-L625 PolarHBondContact O-N 3.48Å; F621-F639 HydrophobicContact CE1-CE1 4.27Å; F621-F639 AromaticContact CZ-CE1 3.58Å; F621-F639 HydrophobicContact CZ-CE1 3.58Å; F621-F639 AromaticContact CZ-CZ 3.71Å; F621-F639 HydrophobicContact CZ-CZ 3.71Å; F621-V643 HydrophobicContact CE1-CG1 4.14Å; F621-V643 HydrophobicContact CE1-CG2 3.92Å; F621-V643 HydrophobicContact CZ-CG2 4.46Å
622F64.1Low57.3Low3 Ų364.3 Ų64.31%0.01331%0.311CS..Hα-helixtrans-62.6-47.3179.1-124.8-90.4000112.5L618 W619 N624 L625 I626 V643 I644 L651 F659 F662L618-F622 WeakPolarHBondContact O-CB 3.36Å; L618-F622 PolarHBondContact O-N 3.5Å; W619-F622 PolarHBondContact O-N 3.47Å; W619-F622 VanDerWaalsContact O-N 3.15Å; F622-N624 VanDerWaalsContact C-N 3.29Å; F622-N624 PolarHBondContact O-N 2.92Å; F622-L625 CarbonylContact O-C 3.55Å; F622-L625 WeakPolarHBondContact O-CA 3.47Å; F622-L625 WeakPolarHBondContact O-CB 3.44Å; F622-L625 PolarHBondContact O-N 2.83Å; F622-I626 HydrophobicContact CD1-CD1 4.26Å; F622-I626 HydrophobicContact CD1-CG1 4.42Å; F622-I626 VanDerWaalsContact O-CG1 3.22Å; F622-I626 WeakPolarHBondContact O-CG1 3.3Å; F622-I626 PolarHBondContact O-N 2.9Å; F622-V643 HydrophobicContact CD2-CG1 4.16Å; F622-V643 HydrophobicContact CE2-CG1 3.4Å; F622-V643 HydrophobicContact CZ-CG1 4.15Å; F622-I644 HydrophobicContact CZ-CG1 4.24Å; F622-L651 HydrophobicContact CD2-CD1 3.46Å; F622-L651 VanDerWaalsContact CD2-CD1 3.46Å; F622-L651 HydrophobicContact CD2-CD2 4Å; F622-L651 HydrophobicContact CD2-CG 4.4Å; F622-L651 HydrophobicContact CE1-CD1 4.27Å; F622-L651 HydrophobicContact CE2-CD1 2.99Å; F622-L651 HydrophobicContact CE2-CD2 4.38Å; F622-L651 HydrophobicContact CE2-CG 4.28Å; F622-L651 HydrophobicContact CG-CD1 4.28Å; F622-L651 HydrophobicContact CG-CD2 4.35Å; F622-L651 HydrophobicContact CZ-CD1 3.48Å; F622-L651 VanDerWaalsContact CZ-CD1 3.48Å; F622-F659 AromaticContact CE1-CD2 3.85Å; F622-F659 HydrophobicContact CE1-CD2 3.85Å; F622-F659 AromaticContact CE1-CE2 3.68Å; F622-F659 HydrophobicContact CE1-CE2 3.68Å; F622-F659 HydrophobicContact CZ-CD2 4.25Å; F622-F659 AromaticContact CZ-CE2 3.68Å; F622-F659 HydrophobicContact CZ-CE2 3.68Å; F622-F662 HydrophobicContact CD1-CD1 4.34Å; F622-F662 HydrophobicContact CD1-CE1 4.37Å; F622-F662 AromaticContact CE1-CD1 3.6Å; F622-F662 HydrophobicContact CE1-CD1 3.6Å; F622-F662 AromaticContact CE1-CE1 3.48Å; F622-F662 HydrophobicContact CE1-CE1 3.48Å; F622-F662 VanDerWaalsContact CE1-CE1 3.48Å; F622-F662 HydrophobicContact CE1-CZ 4.3Å; F622-F662 HydrophobicContact CZ-CE1 4.17Å
623R61.6Low57.7Low123 Ų12362.3 Ų62.346%0.46430%0.302SS..Hα-helixtrans-58.8-42.1180-176.1179.9163.3-173-3111.8W619 L625 I626 S627W619-R623 WeakPolarHBondContact O-CB 3.37Å; W619-R623 PolarHBondContact O-N 3.43Å; R623-L625 VanDerWaalsContact C-N 3.34Å; R623-I626 PolarHBondContact O-N 3.39Å; R623-S627 WeakPolarHBondContact O-CB 3.31Å; R623-S627 PolarHBondContact O-N 3.35Å; R623-S627 PolarHBondContact O-OG 3.5Å
624N62.7Low58.3Low35 Ų3563 Ų6319%0.18731%0.307CS..Hα-helixtrans-68.2-35.9176.1-76.1-20.4000112P566 Y620 F621 F622 S627 M628P566-N624 HydrophobicContact CB-CB 3.87Å; P566-N624 HydrophobicContact CG-CB 3.72Å; P566-N624 WeakPolarHBondContact O-CB 3.24Å; P566-N624 PolarHBondContact O-ND2 3.38Å; Y620-N624 WeakPolarHBondContact O-CB 3.22Å; Y620-N624 PolarHBondContact O-N 2.84Å; Y620-N624 PolarHBondContact O-ND2 3.33Å; F621-N624 PolarHBondContact O-N 2.92Å; F622-N624 VanDerWaalsContact C-N 3.29Å; F622-N624 PolarHBondContact O-N 2.92Å; N624-S627 PolarHBondContact O-N 3.25Å; N624-M628 WeakPolarHBondContact O-CG 3.09Å; N624-M628 PolarHBondContact O-N 2.88Å
625L63.1Low58.5Low12 Ų1264.8 Ų64.86%0.06332%0.316CS..Hα-helixtrans-58.2-44.9171-116154.8000112.2F621 F622 R623 S627 W636 F639 T640 V643F621-L625 HydrophobicContact CD1-CD1 3.93Å; F621-L625 HydrophobicContact CE1-CD1 3.42Å; F621-L625 VanDerWaalsContact CE1-CD1 3.42Å; F621-L625 HydrophobicContact CZ-CD1 3.87Å; F621-L625 WeakPolarHBondContact O-CB 3.39Å; F621-L625 PolarHBondContact O-N 3.48Å; F622-L625 CarbonylContact O-C 3.55Å; F622-L625 WeakPolarHBondContact O-CA 3.47Å; F622-L625 WeakPolarHBondContact O-CB 3.44Å; F622-L625 PolarHBondContact O-N 2.83Å; R623-L625 VanDerWaalsContact C-N 3.34Å; L625-S627 VanDerWaalsContact C-N 3.29Å; L625-S627 PolarHBondContact O-N 3.43Å; L625-W636 HydrophobicContact CD2-CE3 4.03Å; L625-W636 HydrophobicContact CD2-CZ3 3.61Å; L625-W636 HydrophobicContact CG-CZ3 3.91Å; L625-F639 HydrophobicContact CD1-CE1 4.29Å; L625-T640 HydrophobicContact CD2-CG2 3.84Å; L625-T640 WeakPolarHBondContact CD2-OG1 3.3Å; L625-V643 HydrophobicContact CD1-CG2 4.49Å
626I57.1Low58.9Low74 Ų7464.1 Ų64.138%0.37931%0.312SS..Hα-helixtrans-64.5-35176.4-58166.6000111.4F622 R623 F662F622-I626 HydrophobicContact CD1-CD1 4.26Å; F622-I626 HydrophobicContact CD1-CG1 4.42Å; F622-I626 VanDerWaalsContact O-CG1 3.22Å; F622-I626 WeakPolarHBondContact O-CG1 3.3Å; F622-I626 PolarHBondContact O-N 2.9Å; R623-I626 PolarHBondContact O-N 3.39Å; I626-F662 HydrophobicContact CB-CD2 4.06Å; I626-F662 HydrophobicContact CB-CE2 4.35Å; I626-F662 HydrophobicContact CD1-CB 3.93Å; I626-F662 HydrophobicContact CD1-CD2 4.23Å; I626-F662 HydrophobicContact CD1-CG 4.09Å; I626-F662 HydrophobicContact CG1-CB 4.04Å; I626-F662 HydrophobicContact CG1-CD1 4.5Å; I626-F662 HydrophobicContact CG1-CD2 3.37Å; I626-F662 HydrophobicContact CG1-CE2 3.77Å; I626-F662 HydrophobicContact CG1-CG 3.7Å; I626-F662 HydrophobicContact CG1-CZ 4.49Å; I626-F662 HydrophobicContact CG2-CD2 4Å
627S55.2Low59.3Low81 Ų8161.1 Ų61.157%0.56629%0.291SS*.Hα-helixtrans-83.4-13.9-171.4-53.20000113.9R623 N624 L625R623-S627 WeakPolarHBondContact O-CB 3.31Å; R623-S627 PolarHBondContact O-N 3.35Å; R623-S627 PolarHBondContact O-OG 3.5Å; N624-S627 PolarHBondContact O-N 3.25Å; L625-S627 VanDerWaalsContact C-N 3.29Å; L625-S627 PolarHBondContact O-N 3.43Å
628M55.8Low59.5Low37 Ų3764.8 Ų64.818%0.18231%0.306CS..  trans-83.3118.1-177.6-78.5-157.8175.100111.5P566 F568 N624 F630 W636P566-M628 HydrophobicContact CB-CE 3.91Å; P566-M628 HydrophobicContact CB-SD 4.37Å; F568-M628 WeakPolarHBondContact O-CE 3.38Å; N624-M628 WeakPolarHBondContact O-CG 3.09Å; N624-M628 PolarHBondContact O-N 2.88Å; M628-F630 PolarHBondContact O-N 2.79Å; M628-W636 HydrophobicContact SD-CH2 4.11Å; M628-W636 HydrophobicContact SD-CZ2 3.8Å
629K51.5Low59.8Low196 Ų19664.8 Ų64.885%0.85231%0.306SS*.SBendtrans-65.722.2177-88.2-170.8171-172.40115.5
630F51Low60.1Low97 Ų9760.8 Ų60.843%0.42529%0.291SS..  trans-11842.3-169.3-70.1-71.4000114M628 N632M628-F630 PolarHBondContact O-N 2.79Å; F630-N632 PolarHBondContact O-N 3.23Å
631L50.7Low60.6Low28 Ų2855.8 Ų55.815%0.14727%0.272CS..THydrogen-bonded Turntrans-68.5-10172-79.6163.5000113.7S633 F666 E669 F670L631-S633 PolarHBondContact O-N 3.4Å; L631-F666 HydrophobicContact CD1-CD2 4.26Å; L631-F666 HydrophobicContact CD2-CD2 3.46Å; L631-F666 VanDerWaalsContact CD2-CD2 3.46Å; L631-F666 HydrophobicContact CD2-CE2 3.21Å; L631-F666 HydrophobicContact CD2-CZ 4.19Å; L631-E669 HydrophobicContact CD1-CB 4.28Å; L631-F670 HydrophobicContact CB-CD2 4.24Å; L631-F670 HydrophobicContact CB-CE2 4.09Å; L631-F670 HydrophobicContact CD2-CD2 4.12Å; L631-F670 HydrophobicContact CD2-CE2 4.07Å; L631-F670 WeakPolarHBondContact O-CE2 3.44Å; L631-F670 WeakPolarHBondContact O-CZ 3.27Å
632N50Low60.7Low159 Ų15956.3 Ų56.385%0.8528%0.277SS*.THydrogen-bonded Turntrans-76.8-1.1-179.8-66.2-7.4000114.8F630F630-N632 PolarHBondContact O-N 3.23Å
633S59.2Low60.9Low30 Ų3056.2 Ų56.221%0.2128%0.276CS..  trans-98117.5178167.40000111.3L631 L635 W636 T637L631-S633 PolarHBondContact O-N 3.4Å; S633-L635 PolarHBondContact O-N 2.93Å; S633-W636 WeakPolarHBondContact O-CB 3.43Å; S633-W636 PolarHBondContact O-N 2.85Å; S633-T637 PolarHBondContact O-N 3.3Å; S633-T637 VanDerWaalsContact O-N 3.08Å; S633-T637 PolarHBondContact O-OG1 3.36Å; S633-T637 VanDerWaalsContact O-OG1 3.05Å
634Q62.1Low61.4Low108 Ų10850.5 Ų50.551%0.50526%0.255SS..Hα-helixtrans-53-28.3-179.6-150.8-172.322.700113.2K638 D674 I677Q634-K638 PolarHBondContact O-N 2.99Å; Q634-K638 VanDerWaalsContact O-N 3.11Å; Q634-D674 PolarHBondContact NE2-OD2 2.94Å; Q634-I677 HydrophobicContact CG-CD1 3.71Å
635L61.5Low61.6Low41 Ų4155.7 Ų55.722%0.21527%0.272CS..Hα-helixtrans-80-37.9-179.1-144.7154.8000112V575 P582 S633 T637 K638 F639V575-L635 HydrophobicContact CG1-CB 4.21Å; V575-L635 HydrophobicContact CG1-CD1 3.88Å; V575-L635 HydrophobicContact CG1-CD2 3.17Å; V575-L635 HydrophobicContact CG1-CG 3.89Å; P582-L635 HydrophobicContact CG-CD2 4.39Å; S633-L635 PolarHBondContact O-N 2.93Å; L635-T637 VanDerWaalsContact C-N 3.32Å; L635-K638 PolarHBondContact O-N 3.48Å; L635-F639 WeakPolarHBondContact O-CB 3.48Å; L635-F639 PolarHBondContact O-N 2.87Å
636W65Low61.8Low10 Ų1057.2 Ų57.24%0.03828%0.283CS..Hα-helixtrans-62.8-40168.8-98109000111.4L563 P566 A571 L625 M628 S633 F639 T640L563-W636 HydrophobicContact CD2-CD2 4.07Å; L563-W636 VanDerWaalsContact CD2-CE2 3.48Å; L563-W636 HydrophobicContact CD2-CE3 4.27Å; L563-W636 HydrophobicContact CD2-CH2 3.45Å; L563-W636 VanDerWaalsContact CD2-CH2 3.45Å; L563-W636 HydrophobicContact CD2-CZ2 3.18Å; L563-W636 HydrophobicContact CD2-CZ3 3.97Å; P566-W636 HydrophobicContact CB-CH2 4.26Å; A571-W636 HydrophobicContact CB-CZ2 3.95Å; L625-W636 HydrophobicContact CD2-CE3 4.03Å; L625-W636 HydrophobicContact CD2-CZ3 3.61Å; L625-W636 HydrophobicContact CG-CZ3 3.91Å; M628-W636 HydrophobicContact SD-CH2 4.11Å; M628-W636 HydrophobicContact SD-CZ2 3.8Å; S633-W636 WeakPolarHBondContact O-CB 3.43Å; S633-W636 PolarHBondContact O-N 2.85Å; W636-F639 HydrophobicContact CE3-CD1 4.25Å; W636-F639 HydrophobicContact CZ3-CD1 4.05Å; W636-F639 HydrophobicContact CZ3-CE1 4.38Å; W636-F639 PolarHBondContact O-N 2.78Å; W636-T640 WeakPolarHBondContact O-CB 3.26Å; W636-T640 PolarHBondContact O-N 3.04Å; W636-T640 PolarHBondContact O-OG1 3.3Å
637T64.5Low62.3Low2 Ų253.8 Ų53.81%0.01227%0.266CS..Hα-helixtrans-61.9-47.7175.9-39.10000111.5S633 L635 F639 T640 L641 F666 F670 I677S633-T637 PolarHBondContact O-N 3.3Å; S633-T637 VanDerWaalsContact O-N 3.08Å; S633-T637 PolarHBondContact O-OG1 3.36Å; S633-T637 VanDerWaalsContact O-OG1 3.05Å; L635-T637 VanDerWaalsContact C-N 3.32Å; T637-F639 VanDerWaalsContact C-N 3.33Å; T637-F639 PolarHBondContact O-N 2.9Å; T637-T640 PolarHBondContact O-N 2.94Å; T637-L641 HydrophobicContact CG2-CD1 4.19Å; T637-L641 VanDerWaalsContact O-CB 3.25Å; T637-L641 WeakPolarHBondContact O-CB 3.37Å; T637-L641 PolarHBondContact O-N 3.29Å; T637-F666 HydrophobicContact CG2-CZ 4.01Å; T637-F670 HydrophobicContact CG2-CD1 4.44Å; T637-F670 HydrophobicContact CG2-CD2 4.19Å; T637-F670 HydrophobicContact CG2-CE1 3.84Å; T637-F670 HydrophobicContact CG2-CE2 3.5Å; T637-F670 HydrophobicContact CG2-CZ 3.38Å; T637-F670 WeakPolarHBondContact OG1-CE2 3.48Å; T637-F670 WeakPolarHBondContact OG1-CZ 3.27Å; T637-I677 HydrophobicContact CG2-CG2 4.18Å
638K64.9Low62.8Low113 Ų11350 Ų5049%0.49124%0.24SC..Hα-helixtrans-60.3-41.8175.6-82-179.3177.9174.10112.1Q634 L635 L641 S642Q634-K638 PolarHBondContact O-N 2.99Å; Q634-K638 VanDerWaalsContact O-N 3.11Å; L635-K638 PolarHBondContact O-N 3.48Å; K638-L641 PolarHBondContact O-N 2.88Å; K638-S642 PolarHBondContact O-N 3.24Å; K638-S642 PolarHBondContact O-OG 3.09Å
639F68.8Low63.2Low0 Ų052.6 Ų52.60%025%0.254CS..Hα-helixtrans-63.3-50.7177.5-175.7-92.4000111.6L563 F564 P582 V586 F621 L625 L635 W636 T637 L641 S642 V643L563-F639 HydrophobicContact CB-CD1 4.49Å; L563-F639 HydrophobicContact CB-CD2 4.1Å; L563-F639 HydrophobicContact CB-CE1 3.97Å; L563-F639 HydrophobicContact CB-CE2 3.54Å; L563-F639 HydrophobicContact CB-CZ 3.47Å; L563-F639 VanDerWaalsContact CB-CZ 3.47Å; L563-F639 HydrophobicContact CD1-CB 4.41Å; L563-F639 HydrophobicContact CD1-CD2 3.55Å; L563-F639 HydrophobicContact CD1-CE2 3.85Å; L563-F639 HydrophobicContact CD1-CG 3.93Å; L563-F639 HydrophobicContact CD1-CZ 4.46Å; L563-F639 HydrophobicContact CG-CD2 4.44Å; L563-F639 HydrophobicContact CG-CE2 4.34Å; F564-F639 HydrophobicContact CD1-CZ 4.16Å; F564-F639 HydrophobicContact CE1-CE2 4.1Å; F564-F639 AromaticContact CE1-CZ 3.97Å; F564-F639 HydrophobicContact CE1-CZ 3.97Å; F564-F639 HydrophobicContact CZ-CE2 4.28Å; P582-F639 HydrophobicContact CB-CD2 3.81Å; P582-F639 HydrophobicContact CB-CE2 4.41Å; P582-F639 HydrophobicContact CG-CD2 4.48Å; V586-F639 HydrophobicContact CG2-CD2 3.53Å; V586-F639 HydrophobicContact CG2-CE2 3.17Å; V586-F639 HydrophobicContact CG2-CG 4.4Å; V586-F639 HydrophobicContact CG2-CZ 3.81Å; F621-F639 HydrophobicContact CE1-CE1 4.27Å; F621-F639 AromaticContact CZ-CE1 3.58Å; F621-F639 HydrophobicContact CZ-CE1 3.58Å; F621-F639 AromaticContact CZ-CZ 3.71Å; F621-F639 HydrophobicContact CZ-CZ 3.71Å; L625-F639 HydrophobicContact CD1-CE1 4.29Å; L635-F639 WeakPolarHBondContact O-CB 3.48Å; L635-F639 PolarHBondContact O-N 2.87Å; W636-F639 HydrophobicContact CE3-CD1 4.25Å; W636-F639 HydrophobicContact CZ3-CD1 4.05Å; W636-F639 HydrophobicContact CZ3-CE1 4.38Å; W636-F639 PolarHBondContact O-N 2.78Å; T637-F639 VanDerWaalsContact C-N 3.33Å; T637-F639 PolarHBondContact O-N 2.9Å; F639-L641 VanDerWaalsContact C-N 3.32Å; F639-L641 PolarHBondContact O-N 3.37Å; F639-S642 WeakPolarHBondContact O-CB 3.41Å; F639-S642 PolarHBondContact O-N 2.75Å; F639-S642 VanDerWaalsContact O-N 3.13Å; F639-V643 HydrophobicContact CD1-CG2 4.11Å; F639-V643 HydrophobicContact CE1-CG2 3.84Å; F639-V643 HydrophobicContact CZ-CG2 4.28Å; F639-V643 WeakPolarHBondContact O-CG2 3.48Å; F639-V643 PolarHBondContact O-N 3.33Å
640T68.6Low63.8Low3 Ų346.2 Ų46.22%0.01823%0.229CC..Hα-helixtrans-60.8-41.2177.7-53.90000111.6L625 W636 T637 V643 I644 F662 F666L625-T640 HydrophobicContact CD2-CG2 3.84Å; L625-T640 WeakPolarHBondContact CD2-OG1 3.3Å; W636-T640 WeakPolarHBondContact O-CB 3.26Å; W636-T640 PolarHBondContact O-N 3.04Å; W636-T640 PolarHBondContact O-OG1 3.3Å; T637-T640 PolarHBondContact O-N 2.94Å; T640-V643 PolarHBondContact O-N 3.11Å; T640-I644 HydrophobicContact CG2-CD1 3.99Å; T640-I644 VanDerWaalsContact O-CG1 3.29Å; T640-I644 WeakPolarHBondContact O-CG1 3.49Å; T640-I644 PolarHBondContact O-N 2.98Å; T640-F662 HydrophobicContact CG2-CE1 4.42Å; T640-F662 HydrophobicContact CG2-CZ 3.82Å; T640-F666 HydrophobicContact CG2-CD2 4Å; T640-F666 HydrophobicContact CG2-CE2 3.45Å; T640-F666 VanDerWaalsContact CG2-CE2 3.45Å; T640-F666 HydrophobicContact CG2-CZ 4.05Å
641L69.3Low64.4Low15 Ų1542 Ų428%0.07921%0.211CC..Hα-helixtrans-59.3-45.4172.4-98.1156.7000112.5T637 K638 F639 V643 I644 R645 I677 L681T637-L641 HydrophobicContact CG2-CD1 4.19Å; T637-L641 VanDerWaalsContact O-CB 3.25Å; T637-L641 WeakPolarHBondContact O-CB 3.37Å; T637-L641 PolarHBondContact O-N 3.29Å; K638-L641 PolarHBondContact O-N 2.88Å; F639-L641 VanDerWaalsContact C-N 3.32Å; F639-L641 PolarHBondContact O-N 3.37Å; L641-V643 VanDerWaalsContact C-N 3.33Å; L641-V643 PolarHBondContact O-N 3.21Å; L641-I644 PolarHBondContact O-N 2.89Å; L641-R645 WeakPolarHBondContact O-CB 3.43Å; L641-R645 PolarHBondContact O-N 2.93Å; L641-I677 HydrophobicContact CD1-CG2 3.56Å; L641-L681 HydrophobicContact CD1-CD1 4.3Å; L641-L681 HydrophobicContact CD2-CB 3.89Å; L641-L681 HydrophobicContact CD2-CD1 3.36Å; L641-L681 HydrophobicContact CD2-CG 4.22Å; L641-L681 HydrophobicContact CG-CD1 3.8Å
642S68.2Low65.2Low16 Ų1644.6 Ų44.611%0.11222%0.221CC..Hα-helixtrans-62.3-40.8175.4-79.40000112.2T583 K638 F639 R645 S646T583-S642 WeakPolarHBondContact CG2-OG 3.29Å; K638-S642 PolarHBondContact O-N 3.24Å; K638-S642 PolarHBondContact O-OG 3.09Å; F639-S642 WeakPolarHBondContact O-CB 3.41Å; F639-S642 PolarHBondContact O-N 2.75Å; F639-S642 VanDerWaalsContact O-N 3.13Å; S642-R645 PolarHBondContact O-N 3.31Å; S642-S646 WeakPolarHBondContact O-CB 3.21Å; S642-S646 PolarHBondContact O-N 3.21Å; S642-S646 PolarHBondContact O-OG 3.14Å
643V68.8Low65.9Low0 Ų043.2 Ų43.20%022%0.218CC..Hα-helixtrans-63.3-50.9177174.10000109.8V586 T590 F621 F622 L625 F639 T640 L641 R645 S646 C647V586-V643 HydrophobicContact CG1-CB 4.2Å; V586-V643 HydrophobicContact CG1-CG2 3.5Å; V586-V643 VanDerWaalsContact CG1-CG2 3.5Å; V586-V643 HydrophobicContact CG2-CG2 4.4Å; T590-V643 HydrophobicContact CG2-CG1 4.44Å; F621-V643 HydrophobicContact CE1-CG1 4.14Å; F621-V643 HydrophobicContact CE1-CG2 3.92Å; F621-V643 HydrophobicContact CZ-CG2 4.46Å; F622-V643 HydrophobicContact CD2-CG1 4.16Å; F622-V643 HydrophobicContact CE2-CG1 3.4Å; F622-V643 HydrophobicContact CZ-CG1 4.15Å; L625-V643 HydrophobicContact CD1-CG2 4.49Å; F639-V643 HydrophobicContact CD1-CG2 4.11Å; F639-V643 HydrophobicContact CE1-CG2 3.84Å; F639-V643 HydrophobicContact CZ-CG2 4.28Å; F639-V643 WeakPolarHBondContact O-CG2 3.48Å; F639-V643 PolarHBondContact O-N 3.33Å; T640-V643 PolarHBondContact O-N 3.11Å; L641-V643 VanDerWaalsContact C-N 3.33Å; L641-V643 PolarHBondContact O-N 3.21Å; V643-R645 VanDerWaalsContact C-N 3.27Å; V643-R645 PolarHBondContact O-N 3.35Å; V643-S646 PolarHBondContact O-N 3.34Å; V643-C647 PolarHBondContact O-N 2.64Å; V643-C647 PolarHBondContact O-SG 2.93Å
644I70.7Confident66Low4 Ų448.2 Ų48.22%0.02123%0.232CC..Hα-helixtrans-57.4-42.7176.9-67.6164.8000110.4F622 T640 L641 S646 G648 F659 F662 L663F622-I644 HydrophobicContact CZ-CG1 4.24Å; T640-I644 HydrophobicContact CG2-CD1 3.99Å; T640-I644 VanDerWaalsContact O-CG1 3.29Å; T640-I644 WeakPolarHBondContact O-CG1 3.49Å; T640-I644 PolarHBondContact O-N 2.98Å; L641-I644 PolarHBondContact O-N 2.89Å; I644-S646 PolarHBondContact O-N 2.84Å; I644-G648 WeakPolarHBondContact O-CA 3.49Å; I644-G648 PolarHBondContact O-N 3.4Å; I644-F659 HydrophobicContact CG2-CZ 4.48Å; I644-F662 HydrophobicContact CD1-CE1 4Å; I644-F662 HydrophobicContact CG1-CE1 4.35Å; I644-L663 HydrophobicContact CD1-CD2 4.04Å; I644-L663 HydrophobicContact CG2-CD2 4.42Å
645R68.8Low65.9Low144 Ų14445 Ų4554%0.54322%0.218SC..Hα-helixtrans-69.3-32.6-178.3-165.6175.1178.6142.5-1.1113.1L641 S642 V643L641-R645 WeakPolarHBondContact O-CB 3.43Å; L641-R645 PolarHBondContact O-N 2.93Å; S642-R645 PolarHBondContact O-N 3.31Å; V643-R645 VanDerWaalsContact C-N 3.27Å; V643-R645 PolarHBondContact O-N 3.35Å
646S65.7Low66.3Low43 Ų4344.7 Ų44.730%0.30122%0.224SC..Hα-helixtrans-87-31-178.9-68.90000114S587 T590 S642 V643 I644S587-S646 PolarHBondContact OG-OG 3.35Å; T590-S646 WeakPolarHBondContact OG1-CB 3.3Å; S642-S646 WeakPolarHBondContact O-CB 3.21Å; S642-S646 PolarHBondContact O-N 3.21Å; S642-S646 PolarHBondContact O-OG 3.14Å; V643-S646 PolarHBondContact O-N 3.34Å; I644-S646 PolarHBondContact O-N 2.84Å
647C67.8Low66.3Low2 Ų252.3 Ų52.31%0.01426%0.26CS..Hα-helixtrans-134.310.7-176.859.60000115.9T590 V643 D649 I650 L651T590-C647 HydrophobicContact CG2-CB 4.18Å; T590-C647 WeakPolarHBondContact CG2-SG 3.4Å; V643-C647 PolarHBondContact O-N 2.64Å; V643-C647 PolarHBondContact O-SG 2.93Å; C647-D649 VanDerWaalsContact C-N 3.32Å; C647-D649 PolarHBondContact O-N 3.01Å; C647-I650 PolarHBondContact O-N 3.5Å; C647-I650 VanDerWaalsContact O-N 3.17Å; C647-L651 HydrophobicContact CB-CD1 4.41Å; C647-L651 WeakPolarHBondContact O-CD1 3.2Å; C647-L651 WeakPolarHBondContact O-CG 3.08Å; C647-L651 PolarHBondContact O-N 3.2Å
648G66.4Low66.2Low2 Ų257.8 Ų57.82%0.02129%0.286CS..Hα-helixtrans-56.2-39.9-178.800000114.1I644 I650 L651 K652I644-G648 WeakPolarHBondContact O-CA 3.49Å; I644-G648 PolarHBondContact O-N 3.4Å; G648-I650 VanDerWaalsContact C-N 3.34Å; G648-I650 PolarHBondContact O-N 2.82Å; G648-L651 PolarHBondContact O-N 3.37Å; G648-K652 WeakPolarHBondContact O-CB 3.47Å; G648-K652 PolarHBondContact O-N 2.94Å
649D64.3Low66.4Low91 Ų9152.6 Ų52.649%0.48726%0.263SS..Hα-helixtrans-65.9-39179.7-59.5-24000111.9C647 L651 K652 V653 C688C647-D649 VanDerWaalsContact C-N 3.32Å; C647-D649 PolarHBondContact O-N 3.01Å; D649-L651 VanDerWaalsContact C-N 3.35Å; D649-K652 PolarHBondContact O-N 3.44Å; D649-V653 WeakPolarHBondContact O-CG2 3.4Å; D649-V653 PolarHBondContact O-N 2.94Å; D649-V653 VanDerWaalsContact O-N 3.12Å; D649-C688 PolarHBondContact OD1-SG 3.25Å
650I63.9Low66.4Low63 Ų6360.3 Ų60.332%0.32329%0.293SS..Hα-helixtrans-68.8-39.1178.5-65.6171.9000110.2S594 L615 C647 G648 V653 R654S594-I650 WeakPolarHBondContact OG-CD1 3.22Å; L615-I650 HydrophobicContact CD2-CG2 4.48Å; C647-I650 PolarHBondContact O-N 3.5Å; C647-I650 VanDerWaalsContact O-N 3.17Å; G648-I650 VanDerWaalsContact C-N 3.34Å; G648-I650 PolarHBondContact O-N 2.82Å; I650-V653 PolarHBondContact O-N 3.49Å; I650-R654 PolarHBondContact O-N 3.27Å; I650-R654 VanDerWaalsContact O-N 3.15Å
651L64.4Low66.2Low7 Ų766.7 Ų66.74%0.03733%0.325CS..Hα-helixtrans-69.4-41.7176.3-68.5159.2000111.6L618 F622 C647 G648 D649 V653 R654 I655 F659L618-L651 HydrophobicContact CD2-CD2 4.03Å; L618-L651 HydrophobicContact CD2-CG 4.44Å; L618-L651 HydrophobicContact CG-CD2 4.41Å; F622-L651 HydrophobicContact CD2-CD1 3.46Å; F622-L651 VanDerWaalsContact CD2-CD1 3.46Å; F622-L651 HydrophobicContact CD2-CD2 4Å; F622-L651 HydrophobicContact CD2-CG 4.4Å; F622-L651 HydrophobicContact CE1-CD1 4.27Å; F622-L651 HydrophobicContact CE2-CD1 2.99Å; F622-L651 HydrophobicContact CE2-CD2 4.38Å; F622-L651 HydrophobicContact CE2-CG 4.28Å; F622-L651 HydrophobicContact CG-CD1 4.28Å; F622-L651 HydrophobicContact CG-CD2 4.35Å; F622-L651 HydrophobicContact CZ-CD1 3.48Å; F622-L651 VanDerWaalsContact CZ-CD1 3.48Å; C647-L651 HydrophobicContact CB-CD1 4.41Å; C647-L651 WeakPolarHBondContact O-CD1 3.2Å; C647-L651 WeakPolarHBondContact O-CG 3.08Å; C647-L651 PolarHBondContact O-N 3.2Å; G648-L651 PolarHBondContact O-N 3.37Å; D649-L651 VanDerWaalsContact C-N 3.35Å; L651-V653 VanDerWaalsContact C-N 3.29Å; L651-V653 PolarHBondContact O-N 3Å; L651-R654 PolarHBondContact O-N 3.4Å; L651-I655 HydrophobicContact CB-CD1 4.2Å; L651-I655 HydrophobicContact CB-CG1 4.24Å; L651-I655 HydrophobicContact CD2-CD1 3.71Å; L651-I655 HydrophobicContact CD2-CG1 4.3Å; L651-I655 WeakPolarHBondContact O-CG1 3.41Å; L651-I655 PolarHBondContact O-N 3.43Å; L651-F659 HydrophobicContact CB-CD2 3.85Å; L651-F659 HydrophobicContact CB-CE2 3.94Å; L651-F659 HydrophobicContact CB-CG 4.17Å; L651-F659 HydrophobicContact CB-CZ 4.32Å; L651-F659 HydrophobicContact CD1-CD2 4.48Å; L651-F659 HydrophobicContact CD1-CE2 4.05Å
652K67.5Low66.3Low83 Ų8366.6 Ų66.636%0.36132%0.324SS..Hα-helixtrans-53.8-46.6173.5179.6-175.4171.7-172.30111.1G648 D649 G656 F659 C688 R690G648-K652 WeakPolarHBondContact O-CB 3.47Å; G648-K652 PolarHBondContact O-N 2.94Å; D649-K652 PolarHBondContact O-N 3.44Å; K652-G656 VanDerWaalsContact O-CA 3.3Å; K652-G656 WeakPolarHBondContact O-CA 3.08Å; K652-G656 PolarHBondContact O-N 3.38Å; K652-G656 VanDerWaalsContact O-N 3.15Å; K652-F659 HydrophobicContact CB-CD1 4.12Å; K652-F659 HydrophobicContact CB-CE1 4.28Å; K652-C688 WeakPolarHBondContact CD-O 3.27Å; K652-C688 WeakPolarHBondContact CE-O 3.26Å; K652-C688 PolarHBondContact NZ-O 3.3Å; K652-R690 PolarHBondContact NZ-OXT 3.42Å
653V64.2Low66.5Low130 Ų13066.7 Ų66.779%0.78832%0.323SS*.Hα-helixtrans-66.4-38.7179.8172.90000112.4D649 I650 L651D649-V653 WeakPolarHBondContact O-CG2 3.4Å; D649-V653 PolarHBondContact O-N 2.94Å; D649-V653 VanDerWaalsContact O-N 3.12Å; I650-V653 PolarHBondContact O-N 3.49Å; L651-V653 VanDerWaalsContact C-N 3.29Å; L651-V653 PolarHBondContact O-N 3Å
654R61.2Low66.4Low135 Ų13569.5 Ų69.551%0.50934%0.34SS..Hα-helixtrans-87.5-41.9-172.5-93.6-119.7179.7174.2-6.9115.2N612 L615 I650 L651N612-R654 PolarHBondContact OD1-NH1 2.99Å; N612-R654 PolarHBondContact OD1-NH2 3.33Å; N612-R654 VanDerWaalsContact OD1-NH2 3.16Å; L615-R654 HydrophobicContact CD2-CG 4.49Å; I650-R654 PolarHBondContact O-N 3.27Å; I650-R654 VanDerWaalsContact O-N 3.15Å; L651-R654 PolarHBondContact O-N 3.4Å
655I60Low66.2Low42 Ų4274.4 Ų74.422%0.21536%0.363CS..Hα-helixtrans-117.7-2.4-171.644.7168.2000113.1L651 Q657 E658 F659L651-I655 HydrophobicContact CB-CD1 4.2Å; L651-I655 HydrophobicContact CB-CG1 4.24Å; L651-I655 HydrophobicContact CD2-CD1 3.71Å; L651-I655 HydrophobicContact CD2-CG1 4.3Å; L651-I655 WeakPolarHBondContact O-CG1 3.41Å; L651-I655 PolarHBondContact O-N 3.43Å; I655-Q657 PolarHBondContact O-N 3.37Å; I655-E658 PolarHBondContact O-N 3.01Å; I655-F659 HydrophobicContact CD1-CB 4.1Å; I655-F659 HydrophobicContact CG1-CB 4.03Å
656G68.6Low66.1Low33 Ų3367.7 Ų67.734%0.3434%0.337SS..THydrogen-bonded Turntrans44.2-108.1163.100000114.1K652 E658 F659 Y660K652-G656 VanDerWaalsContact O-CA 3.3Å; K652-G656 WeakPolarHBondContact O-CA 3.08Å; K652-G656 PolarHBondContact O-N 3.38Å; K652-G656 VanDerWaalsContact O-N 3.15Å; G656-E658 VanDerWaalsContact C-N 3.32Å; G656-E658 PolarHBondContact O-N 3.41Å; G656-F659 PolarHBondContact O-N 3.33Å; G656-Y660 PolarHBondContact O-N 3.27Å
657Q65.7Low66.1Low170 Ų17070.2 Ų70.279%0.79435%0.346SS*.Hα-helixtrans-57.2-38.2-175.4-143.8102.58.700113.7I655 Y660 M661I655-Q657 PolarHBondContact O-N 3.37Å; Q657-Y660 WeakPolarHBondContact O-CB 3.31Å; Q657-Y660 PolarHBondContact O-N 3.48Å; Q657-M661 WeakPolarHBondContact O-CG 3.21Å; Q657-M661 PolarHBondContact O-N 3.04Å
658E63Low65.9Low117 Ų11777 Ų7755%0.54738%0.377SS..Hα-helixtrans-68.4-39-179.7-68.8-163.3160.400111.5I655 G656 Y660 M661 F662I655-E658 PolarHBondContact O-N 3.01Å; G656-E658 VanDerWaalsContact C-N 3.32Å; G656-E658 PolarHBondContact O-N 3.41Å; E658-Y660 VanDerWaalsContact C-N 3.31Å; E658-M661 PolarHBondContact O-N 3.3Å; E658-F662 PolarHBondContact O-N 3.31Å
659F68.9Low65.5Low5 Ų582.4 Ų82.42%0.02240%0.402CS..Hα-helixtrans-66.3-37.5174.8-175.9-113.6000111.4F622 I644 L651 K652 I655 G656 F662 L663F622-F659 AromaticContact CE1-CD2 3.85Å; F622-F659 HydrophobicContact CE1-CD2 3.85Å; F622-F659 AromaticContact CE1-CE2 3.68Å; F622-F659 HydrophobicContact CE1-CE2 3.68Å; F622-F659 HydrophobicContact CZ-CD2 4.25Å; F622-F659 AromaticContact CZ-CE2 3.68Å; F622-F659 HydrophobicContact CZ-CE2 3.68Å; I644-F659 HydrophobicContact CG2-CZ 4.48Å; L651-F659 HydrophobicContact CB-CD2 3.85Å; L651-F659 HydrophobicContact CB-CE2 3.94Å; L651-F659 HydrophobicContact CB-CG 4.17Å; L651-F659 HydrophobicContact CB-CZ 4.32Å; L651-F659 HydrophobicContact CD1-CD2 4.48Å; L651-F659 HydrophobicContact CD1-CE2 4.05Å; K652-F659 HydrophobicContact CB-CD1 4.12Å; K652-F659 HydrophobicContact CB-CE1 4.28Å; I655-F659 HydrophobicContact CD1-CB 4.1Å; I655-F659 HydrophobicContact CG1-CB 4.03Å; G656-F659 PolarHBondContact O-N 3.33Å; F659-F662 PolarHBondContact O-N 3.05Å; F659-L663 HydrophobicContact CD1-CD1 3.97Å; F659-L663 HydrophobicContact CE1-CD1 3.55Å; F659-L663 HydrophobicContact CE1-CG 4.36Å; F659-L663 HydrophobicContact CZ-CD1 3.92Å; F659-L663 HydrophobicContact CZ-CG 4.32Å; F659-L663 PolarHBondContact O-N 3.35Å
660Y67.4Low65Low161 Ų16180.4 Ų80.463%0.63139%0.389SS*.Hα-helixtrans-65-44.3174.9-144-81.9000112.1G656 Q657 E658 F662 L663 T664G656-Y660 PolarHBondContact O-N 3.27Å; Q657-Y660 WeakPolarHBondContact O-CB 3.31Å; Q657-Y660 PolarHBondContact O-N 3.48Å; E658-Y660 VanDerWaalsContact C-N 3.31Å; Y660-F662 VanDerWaalsContact C-N 3.33Å; Y660-F662 PolarHBondContact O-N 2.99Å; Y660-L663 PolarHBondContact O-N 3.26Å; Y660-T664 PolarHBondContact O-N 3.5Å; Y660-T664 PolarHBondContact O-OG1 3.33Å
661M66Low64.1Low138 Ų13881.6 Ų81.668%0.6840%0.403SS*.Hα-helixtrans-60.4-43.1174.6-75.4-118.6-63.900111.6Q657 E658 T664 H665Q657-M661 WeakPolarHBondContact O-CG 3.21Å; Q657-M661 PolarHBondContact O-N 3.04Å; E658-M661 PolarHBondContact O-N 3.3Å; M661-T664 PolarHBondContact O-N 3.21Å; M661-H665 WeakPolarHBondContact O-CB 3.17Å; M661-H665 PolarHBondContact O-N 2.95Å
662F71.5Confident63.2Low13 Ų1384.8 Ų84.86%0.05742%0.423CS..Hα-helixtrans-60.3-50.9174.8166.6-115.2000112.2F622 I626 T640 I644 E658 F659 Y660 T664 H665 F666F622-F662 HydrophobicContact CD1-CD1 4.34Å; F622-F662 HydrophobicContact CD1-CE1 4.37Å; F622-F662 AromaticContact CE1-CD1 3.6Å; F622-F662 HydrophobicContact CE1-CD1 3.6Å; F622-F662 AromaticContact CE1-CE1 3.48Å; F622-F662 HydrophobicContact CE1-CE1 3.48Å; F622-F662 VanDerWaalsContact CE1-CE1 3.48Å; F622-F662 HydrophobicContact CE1-CZ 4.3Å; F622-F662 HydrophobicContact CZ-CE1 4.17Å; I626-F662 HydrophobicContact CB-CD2 4.06Å; I626-F662 HydrophobicContact CB-CE2 4.35Å; I626-F662 HydrophobicContact CD1-CB 3.93Å; I626-F662 HydrophobicContact CD1-CD2 4.23Å; I626-F662 HydrophobicContact CD1-CG 4.09Å; I626-F662 HydrophobicContact CG1-CB 4.04Å; I626-F662 HydrophobicContact CG1-CD1 4.5Å; I626-F662 HydrophobicContact CG1-CD2 3.37Å; I626-F662 HydrophobicContact CG1-CE2 3.77Å; I626-F662 HydrophobicContact CG1-CG 3.7Å; I626-F662 HydrophobicContact CG1-CZ 4.49Å; I626-F662 HydrophobicContact CG2-CD2 4Å; T640-F662 HydrophobicContact CG2-CE1 4.42Å; T640-F662 HydrophobicContact CG2-CZ 3.82Å; I644-F662 HydrophobicContact CD1-CE1 4Å; I644-F662 HydrophobicContact CG1-CE1 4.35Å; E658-F662 PolarHBondContact O-N 3.31Å; F659-F662 PolarHBondContact O-N 3.05Å; Y660-F662 VanDerWaalsContact C-N 3.33Å; Y660-F662 PolarHBondContact O-N 2.99Å; F662-T664 PolarHBondContact O-N 3.22Å; F662-H665 PolarHBondContact O-N 3.34Å; F662-H665 VanDerWaalsContact O-N 3.1Å; F662-F666 HydrophobicContact CD2-CB 4.39Å; F662-F666 HydrophobicContact CE2-CB 4.13Å; F662-F666 HydrophobicContact CE2-CD2 4.13Å; F662-F666 HydrophobicContact CZ-CB 4.3Å; F662-F666 AromaticContact CZ-CD2 3.94Å; F662-F666 HydrophobicContact CZ-CD2 3.94Å; F662-F666 HydrophobicContact CZ-CG 4.36Å; F662-F666 VanDerWaalsContact O-CB 3.27Å; F662-F666 WeakPolarHBondContact O-CB 3.31Å; F662-F666 PolarHBondContact O-N 2.9Å
663L70.8Confident61.9Low17 Ų1789.6 Ų89.69%0.08945%0.446CS..Hα-helixtrans-57-39.9178.6-83.9170.2000111.4I644 F659 Y660 M667 L685I644-L663 HydrophobicContact CD1-CD2 4.04Å; I644-L663 HydrophobicContact CG2-CD2 4.42Å; F659-L663 HydrophobicContact CD1-CD1 3.97Å; F659-L663 HydrophobicContact CE1-CD1 3.55Å; F659-L663 HydrophobicContact CE1-CG 4.36Å; F659-L663 HydrophobicContact CZ-CD1 3.92Å; F659-L663 HydrophobicContact CZ-CG 4.32Å; F659-L663 PolarHBondContact O-N 3.35Å; Y660-L663 PolarHBondContact O-N 3.26Å; L663-M667 VanDerWaalsContact O-CB 3.25Å; L663-M667 WeakPolarHBondContact O-CB 3.4Å; L663-M667 WeakPolarHBondContact O-CG 3.39Å; L663-M667 PolarHBondContact O-N 3.1Å; L663-L685 HydrophobicContact CD1-CD2 4.16Å; L663-L685 HydrophobicContact CD2-CD2 3.88Å
664T67.8Low60.8Low59 Ų5986.6 Ų86.636%0.36243%0.426SS..Hα-helixtrans-65.7-42.7177.7-44.90000111.3Y660 M661 F662 M667 Q668Y660-T664 PolarHBondContact O-N 3.5Å; Y660-T664 PolarHBondContact O-OG1 3.33Å; M661-T664 PolarHBondContact O-N 3.21Å; F662-T664 PolarHBondContact O-N 3.22Å; T664-M667 PolarHBondContact O-N 2.85Å; T664-Q668 WeakPolarHBondContact O-CB 3.16Å; T664-Q668 VanDerWaalsContact O-CG 3.29Å; T664-Q668 WeakPolarHBondContact O-CG 3.23Å; T664-Q668 PolarHBondContact O-N 3.04Å
665H66Low59.9Low107 Ų10789 Ų8950%0.49544%0.443SS..Hα-helixtrans-70.4-42.2179.1-145.935.2000112M661 F662 M667 Q668 E669M661-H665 WeakPolarHBondContact O-CB 3.17Å; M661-H665 PolarHBondContact O-N 2.95Å; F662-H665 PolarHBondContact O-N 3.34Å; F662-H665 VanDerWaalsContact O-N 3.1Å; H665-M667 VanDerWaalsContact C-N 3.31Å; H665-M667 PolarHBondContact O-N 3.09Å; H665-Q668 PolarHBondContact O-N 3.48Å; H665-E669 PolarHBondContact O-N 3Å
666F67.9Low59.2Low3 Ų390.3 Ų90.31%0.01346%0.46CS..Hα-helixtrans-58.7-42.2173.5-175.3-89000111.2L631 T637 T640 F662 F670 L681L631-F666 HydrophobicContact CD1-CD2 4.26Å; L631-F666 HydrophobicContact CD2-CD2 3.46Å; L631-F666 VanDerWaalsContact CD2-CD2 3.46Å; L631-F666 HydrophobicContact CD2-CE2 3.21Å; L631-F666 HydrophobicContact CD2-CZ 4.19Å; T637-F666 HydrophobicContact CG2-CZ 4.01Å; T640-F666 HydrophobicContact CG2-CD2 4Å; T640-F666 HydrophobicContact CG2-CE2 3.45Å; T640-F666 VanDerWaalsContact CG2-CE2 3.45Å; T640-F666 HydrophobicContact CG2-CZ 4.05Å; F662-F666 HydrophobicContact CD2-CB 4.39Å; F662-F666 HydrophobicContact CE2-CB 4.13Å; F662-F666 HydrophobicContact CE2-CD2 4.13Å; F662-F666 HydrophobicContact CZ-CB 4.3Å; F662-F666 AromaticContact CZ-CD2 3.94Å; F662-F666 HydrophobicContact CZ-CD2 3.94Å; F662-F666 HydrophobicContact CZ-CG 4.36Å; F662-F666 VanDerWaalsContact O-CB 3.27Å; F662-F666 WeakPolarHBondContact O-CB 3.31Å; F662-F666 PolarHBondContact O-N 2.9Å; F666-F670 WeakPolarHBondContact O-CB 3.15Å; F666-F670 PolarHBondContact O-N 2.83Å; F666-L681 HydrophobicContact CD1-CD1 4.38Å; F666-L681 HydrophobicContact CE1-CD1 3.76Å; F666-L681 HydrophobicContact CE1-CD2 4.46Å
667M65Low57.9Low97 Ų9789.6 Ų89.648%0.47845%0.448SS..Hα-helixtrans-67.4-36.2175.2-78.5-89.3-53.300113.5L663 T664 H665 L681 L685L663-M667 VanDerWaalsContact O-CB 3.25Å; L663-M667 WeakPolarHBondContact O-CB 3.4Å; L663-M667 WeakPolarHBondContact O-CG 3.39Å; L663-M667 PolarHBondContact O-N 3.1Å; T664-M667 PolarHBondContact O-N 2.85Å; H665-M667 VanDerWaalsContact C-N 3.31Å; H665-M667 PolarHBondContact O-N 3.09Å; M667-L681 HydrophobicContact SD-CD2 4Å; M667-L685 HydrophobicContact SD-CD1 3.65Å
668Q63.2Low57Low144 Ų14482.2 Ų82.267%0.67342%0.417SS*.Hα-helixtrans-76.6-35.1-177.1-80176.9-11.100113.2T664 H665T664-Q668 WeakPolarHBondContact O-CB 3.16Å; T664-Q668 VanDerWaalsContact O-CG 3.29Å; T664-Q668 WeakPolarHBondContact O-CG 3.23Å; T664-Q668 PolarHBondContact O-N 3.04Å; H665-Q668 PolarHBondContact O-N 3.48Å
669E57.4Low56.2Low115 Ų11578.4 Ų78.454%0.53741%0.41SS..Hα-helixtrans-80.7-17.2177.5-74.6-157.5153.800113.3L631 H665L631-E669 HydrophobicContact CD1-CB 4.28Å; H665-E669 PolarHBondContact O-N 3Å
670F54.5Low55.2Low50 Ų5080.8 Ų80.822%0.21943%0.427CS..  trans-95.7103.9-179.2-125.1-82.7000112.2L631 T637 F666 V672L631-F670 HydrophobicContact CB-CD2 4.24Å; L631-F670 HydrophobicContact CB-CE2 4.09Å; L631-F670 HydrophobicContact CD2-CD2 4.12Å; L631-F670 HydrophobicContact CD2-CE2 4.07Å; L631-F670 WeakPolarHBondContact O-CE2 3.44Å; L631-F670 WeakPolarHBondContact O-CZ 3.27Å; T637-F670 HydrophobicContact CG2-CD1 4.44Å; T637-F670 HydrophobicContact CG2-CD2 4.19Å; T637-F670 HydrophobicContact CG2-CE1 3.84Å; T637-F670 HydrophobicContact CG2-CE2 3.5Å; T637-F670 HydrophobicContact CG2-CZ 3.38Å; T637-F670 WeakPolarHBondContact OG1-CE2 3.48Å; T637-F670 WeakPolarHBondContact OG1-CZ 3.27Å; F666-F670 WeakPolarHBondContact O-CB 3.15Å; F666-F670 PolarHBondContact O-N 2.83Å; F670-V672 PolarHBondContact O-N 3.32Å
671S44.3Very low54Low87 Ų8773.8 Ų73.861%0.60840%0.401SS*.  trans-73.7108.715861.10000107.9E673S671-E673 VanDerWaalsContact C-N 3.26Å; S671-E673 PolarHBondContact O-N 3.11Å
672V46.4Very low53.3Low75 Ų7572.5 Ų72.546%0.45540%0.396SS..  trans-68.387.1176-178.40000108.5F670 D674 G678F670-V672 PolarHBondContact O-N 3.32Å; V672-D674 VanDerWaalsContact C-N 3.25Å; V672-D674 WeakPolarHBondContact CG1-O 3.32Å; V672-G678 VanDerWaalsContact CG1-CA 3.43Å
673E39.8Very low52.3Low184 Ų18476.1 Ų76.186%0.8642%0.415SS*.  trans-81.5-8.1170.7-68.7-170.4159.400112S671S671-E673 VanDerWaalsContact C-N 3.26Å; S671-E673 PolarHBondContact O-N 3.11Å
674D41.8Very low51.1Low67 Ų6775.4 Ų75.436%0.35841%0.412SS..  trans-121.6100.3-174.5-152.7-15000111Q634 V672 A676 I677 G678Q634-D674 PolarHBondContact NE2-OD2 2.94Å; V672-D674 VanDerWaalsContact C-N 3.25Å; V672-D674 WeakPolarHBondContact CG1-O 3.32Å; D674-A676 PolarHBondContact O-N 3.43Å; D674-A676 VanDerWaalsContact O-N 3.12Å; D674-I677 HydrophobicContact CB-CB 4.37Å; D674-I677 HydrophobicContact CB-CD1 4.08Å; D674-I677 HydrophobicContact CB-CG1 4.21Å; D674-I677 PolarHBondContact O-N 3.37Å; D674-G678 PolarHBondContact O-N 3.13Å
675E41.8Very low50Low184 Ų18474.6 Ų74.686%0.8641%0.405SS*.Hα-helixtrans-53-32.8-175.5-82.7-175.6149.700113.3G678 G679E675-G678 PolarHBondContact O-N 3.01Å; E675-G679 PolarHBondContact O-N 2.83Å
676A46.4Very low49.2Very low70 Ų7075.1 Ų75.158%0.57941%0.408SS*.Hα-helixtrans-69.6-34.8179.500000112.9D674 S680D674-A676 PolarHBondContact O-N 3.43Å; D674-A676 VanDerWaalsContact O-N 3.12Å; A676-S680 PolarHBondContact O-N 3.48Å; A676-S680 PolarHBondContact O-OG 3.27Å
677I41.3Very low48.2Very low19 Ų1979.2 Ų79.210%0.09743%0.43CS..Hα-helixtrans-79.2-39.5177.4-58.6-179.5000109.3Q634 T637 L641 D674 G679 S680 L681Q634-I677 HydrophobicContact CG-CD1 3.71Å; T637-I677 HydrophobicContact CG2-CG2 4.18Å; L641-I677 HydrophobicContact CD1-CG2 3.56Å; D674-I677 HydrophobicContact CB-CB 4.37Å; D674-I677 HydrophobicContact CB-CD1 4.08Å; D674-I677 HydrophobicContact CB-CG1 4.21Å; D674-I677 PolarHBondContact O-N 3.37Å; I677-G679 PolarHBondContact O-N 2.72Å; I677-S680 PolarHBondContact O-N 3.26Å; I677-L681 WeakPolarHBondContact O-CB 3.43Å; I677-L681 PolarHBondContact O-N 2.72Å
678G44.9Very low47Very low14 Ų1475.1 Ų75.114%0.14441%0.411CS..Hα-helixtrans-55.4-48.717200000113.2V672 D674 E675 S680 L681 L682V672-G678 VanDerWaalsContact CG1-CA 3.43Å; D674-G678 PolarHBondContact O-N 3.13Å; E675-G678 PolarHBondContact O-N 3.01Å; G678-S680 PolarHBondContact O-N 3.17Å; G678-L681 PolarHBondContact O-N 3.43Å; G678-L682 WeakPolarHBondContact O-CB 3.42Å; G678-L682 PolarHBondContact O-N 3.1Å
679G47.8Very low45.6Very low38 Ų3873.6 Ų73.639%0.39241%0.411SS..Hα-helixtrans-63.1-38.7177.700000113.3E675 I677 L682 L683E675-G679 PolarHBondContact O-N 2.83Å; I677-G679 PolarHBondContact O-N 2.72Å; G679-L682 PolarHBondContact O-N 3.3Å; G679-L683 PolarHBondContact O-N 3.03Å; G679-L683 VanDerWaalsContact O-N 3.11Å
680S46.5Very low44.5Very low54 Ų5480.4 Ų80.438%0.37843%0.432SS..Hα-helixtrans-69.4-35.2177.2-62.80000112.9A676 I677 G678 A684A676-S680 PolarHBondContact O-N 3.48Å; A676-S680 PolarHBondContact O-OG 3.27Å; I677-S680 PolarHBondContact O-N 3.26Å; G678-S680 PolarHBondContact O-N 3.17Å; S680-A684 WeakPolarHBondContact O-CB 3.38Å; S680-A684 PolarHBondContact O-N 3.45Å; S680-A684 VanDerWaalsContact O-N 3.08Å
681L43.8Very low44Very low15 Ų1581.9 Ų81.98%0.07944%0.442CS..Hα-helixtrans-70-42174.8-168.276000111.5L641 F666 M667 I677 G678 L683 A684 L685L641-L681 HydrophobicContact CD1-CD1 4.3Å; L641-L681 HydrophobicContact CD2-CB 3.89Å; L641-L681 HydrophobicContact CD2-CD1 3.36Å; L641-L681 HydrophobicContact CD2-CG 4.22Å; L641-L681 HydrophobicContact CG-CD1 3.8Å; F666-L681 HydrophobicContact CD1-CD1 4.38Å; F666-L681 HydrophobicContact CE1-CD1 3.76Å; F666-L681 HydrophobicContact CE1-CD2 4.46Å; M667-L681 HydrophobicContact SD-CD2 4Å; I677-L681 WeakPolarHBondContact O-CB 3.43Å; I677-L681 PolarHBondContact O-N 2.72Å; G678-L681 PolarHBondContact O-N 3.43Å; L681-L683 VanDerWaalsContact C-N 3.32Å; L681-L683 PolarHBondContact O-N 3.02Å; L681-A684 PolarHBondContact O-N 3.31Å; L681-L685 HydrophobicContact CG-CD1 4.13Å; L681-L685 WeakPolarHBondContact O-CB 3.48Å; L681-L685 WeakPolarHBondContact O-CG 3.18Å; L681-L685 PolarHBondContact O-N 2.96Å
682L50.3Low44Very low110 Ų11081.6 Ų81.658%0.57643%0.434SS*.Hα-helixtrans-61.7-41.1176.7-137.5113.3000111.6G678 G679 L685 Q686G678-L682 WeakPolarHBondContact O-CB 3.42Å; G678-L682 PolarHBondContact O-N 3.1Å; G679-L682 PolarHBondContact O-N 3.3Å; L682-L685 PolarHBondContact O-N 3.28Å; L682-Q686 WeakPolarHBondContact O-CB 3.48Å; L682-Q686 WeakPolarHBondContact O-CG 3.42Å; L682-Q686 PolarHBondContact O-N 3.11Å
683L50.4Low43.9Very low89 Ų8982 Ų8247%0.46643%0.432SS..Hα-helixtrans-67.4-40.3176-116.3141.3000112.8G679 L681 N687G679-L683 PolarHBondContact O-N 3.03Å; G679-L683 VanDerWaalsContact O-N 3.11Å; L681-L683 VanDerWaalsContact C-N 3.32Å; L681-L683 PolarHBondContact O-N 3.02Å; L683-N687 PolarHBondContact O-N 3.16Å
684A45.6Very low44.1Very low3 Ų376 Ų763%0.02541%0.407CS..Hα-helixtrans-66.3-40.4175.900000111.8S680 L681 N687 C688S680-A684 WeakPolarHBondContact O-CB 3.38Å; S680-A684 PolarHBondContact O-N 3.45Å; S680-A684 VanDerWaalsContact O-N 3.08Å; L681-A684 PolarHBondContact O-N 3.31Å; A684-N687 PolarHBondContact O-N 2.83Å; A684-C688 PolarHBondContact O-N 3.29Å
685L45.6Very low44.3Very low41 Ų4176.6 Ų76.622%0.21541%0.41CS..Hα-helixtrans-68.6-38.6176-79.4165.9000112.8L663 M667 L681 L682 N687 C688 V689L663-L685 HydrophobicContact CD1-CD2 4.16Å; L663-L685 HydrophobicContact CD2-CD2 3.88Å; M667-L685 HydrophobicContact SD-CD1 3.65Å; L681-L685 HydrophobicContact CG-CD1 4.13Å; L681-L685 WeakPolarHBondContact O-CB 3.48Å; L681-L685 WeakPolarHBondContact O-CG 3.18Å; L681-L685 PolarHBondContact O-N 2.96Å; L682-L685 PolarHBondContact O-N 3.28Å; L685-N687 PolarHBondContact O-N 3.03Å; L685-C688 PolarHBondContact O-N 3.46Å; L685-C688 VanDerWaalsContact O-N 3.17Å; L685-V689 WeakPolarHBondContact O-CG2 3.44Å; L685-V689 PolarHBondContact O-N 3.19Å
686Q48.7Very low44.4Very low118 Ų11869.4 Ų69.455%0.55138%0.38SS*.Hα-helixtrans-61.3-33.7174.9-83.3179.4-16.500112.6L682 R690L682-Q686 WeakPolarHBondContact O-CB 3.48Å; L682-Q686 WeakPolarHBondContact O-CG 3.42Å; L682-Q686 PolarHBondContact O-N 3.11Å; Q686-R690 PolarHBondContact O-N 3.29Å
687N47.8Very low44.3Very low89 Ų8969.4 Ų69.448%0.47637%0.366SS..Hα-helixtrans-71.2-37.5173.9-75.4-16.3000112.4L683 A684 L685L683-N687 PolarHBondContact O-N 3.16Å; A684-N687 PolarHBondContact O-N 2.83Å; L685-N687 PolarHBondContact O-N 3.03Å
688C38.4Very low44.5Very low11 Ų1173.2 Ų73.27%0.07439%0.387CS..Hα-helixtrans-77.2-17177-86.30000114.8D649 K652 A684 L685D649-C688 PolarHBondContact OD1-SG 3.25Å; K652-C688 WeakPolarHBondContact CD-O 3.27Å; K652-C688 WeakPolarHBondContact CE-O 3.26Å; K652-C688 PolarHBondContact NZ-O 3.3Å; A684-C688 PolarHBondContact O-N 3.29Å; L685-C688 PolarHBondContact O-N 3.46Å; L685-C688 VanDerWaalsContact O-N 3.17Å
689V34.3Very low44.5Very low113 Ų11378.2 Ų78.269%0.68541%0.407SS*.Hα-helixtrans-85.2-25.4175171.80000112L685L685-V689 WeakPolarHBondContact O-CG2 3.44Å; L685-V689 PolarHBondContact O-N 3.19Å
690R34.6Very low44.2Very low257 Ų25781.8 Ų81.897%0.9741%0.409SS*.  trans-66.80161.5-95.5179.3163.8163.2-4.3111.1K652 Q686K652-R690 PolarHBondContact NZ-OXT 3.42Å; Q686-R690 PolarHBondContact O-N 3.29Å

Retrieved 690 of 690 residues in 394.2 ms (Link to these results)

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