A0A3Q0KNS1_SCHMA Loading...

LisH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,102 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
1M32.9Very low49.1Very low98 Ų9855.2 Ų55.248%0.48328%0.281SS..  0-44.80-166.1-171.4-15700110.6F425M1-F425 HydrophobicContact CE-CE1 3.72Å; M1-F425 HydrophobicContact CE-CE2 4.04Å; M1-F425 HydrophobicContact CE-CZ 3.36Å; M1-F425 HydrophobicContact CG-CE1 4.18Å
2T37.2Very low50.5Low7 Ų752.3 Ų52.34%0.04327%0.267CS..  trans-84.8-20.2-169.532.40000115.3Y4 F5 N6 F32 E35 N36T2-Y4 PolarHBondContact O-N 3.08Å; T2-F5 CarbonylContact O-C 3.05Å; T2-F5 PolarHBondContact O-N 2.76Å; T2-N6 PolarHBondContact O-N 3.37Å; T2-F32 HydrophobicContact CG2-CD2 3.78Å; T2-F32 HydrophobicContact CG2-CE2 4.34Å; T2-E35 HydrophobicContact CG2-CB 3.67Å; T2-E35 WeakPolarHBondContact CG2-OE2 3.44Å; T2-E35 WeakPolarHBondContact OG1-CB 3.23Å; T2-E35 PolarHBondContact OG1-OE2 3.2Å; T2-N36 HydrophobicContact CG2-CB 4.42Å
3D37.8Very low51.9Low100 Ų10048.3 Ų48.354%0.53525%0.246SC..THydrogen-bonded Turntrans-55.9-35.4176.5-44.2-78.7000112.6F5 N6D3-F5 VanDerWaalsContact C-N 3.33Å; D3-F5 PolarHBondContact O-N 3.45Å; D3-N6 WeakPolarHBondContact O-CB 3.47Å; D3-N6 PolarHBondContact O-N 2.78Å
4Y41.4Very low52.9Low76 Ų7645.4 Ų45.430%0.29823%0.234SC..THydrogen-bonded Turntrans-66.1-33.9176.5-60.2-90.2000112.5T2 A428 E429 A432T2-Y4 PolarHBondContact O-N 3.08Å; Y4-A428 HydrophobicContact CE1-CB 3.74Å; Y4-A428 VanDerWaalsContact CE1-O 3.29Å; Y4-A428 WeakPolarHBondContact CE1-O 3.48Å; Y4-A428 HydrophobicContact CE2-CB 3.91Å; Y4-A428 VanDerWaalsContact OH-CB 3.32Å; Y4-A428 WeakPolarHBondContact OH-CB 3.11Å; Y4-A428 PolarHBondContact OH-O 3.25Å; Y4-E429 WeakPolarHBondContact OH-CA 3.14Å; Y4-E429 PolarHBondContact OH-N 3.17Å; Y4-E429 VanDerWaalsContact OH-N 3.16Å; Y4-A432 HydrophobicContact CD1-CB 4.24Å; Y4-A432 HydrophobicContact CE1-CB 3.56Å
5F50.9Low53.9Low33 Ų3345.5 Ų45.515%0.14524%0.235CC..THydrogen-bonded Turntrans-92.8-12178.2-63.5-101.1000112.4T2 D3 L7 L8 S13 V16 F32 N36T2-F5 CarbonylContact O-C 3.05Å; T2-F5 PolarHBondContact O-N 2.76Å; D3-F5 VanDerWaalsContact C-N 3.33Å; D3-F5 PolarHBondContact O-N 3.45Å; F5-L7 PolarHBondContact O-N 2.79Å; F5-L8 HydrophobicContact CD1-CD1 3.69Å; F5-L8 HydrophobicContact CE1-CD1 4.29Å; F5-L8 HydrophobicContact CG-CD1 4.43Å; F5-L8 PolarHBondContact O-N 2.91Å; F5-S13 PolarHBondContact O-OG 3.08Å; F5-V16 HydrophobicContact CD1-CB 4.43Å; F5-V16 HydrophobicContact CD1-CG1 3.92Å; F5-V16 HydrophobicContact CD1-CG2 4.08Å; F5-V16 HydrophobicContact CE1-CB 4.41Å; F5-V16 HydrophobicContact CE1-CG1 3.65Å; F5-V16 HydrophobicContact CE1-CG2 3.98Å; F5-V16 HydrophobicContact CZ-CG1 4.49Å; F5-F32 HydrophobicContact CB-CE2 3.43Å; F5-F32 VanDerWaalsContact CB-CE2 3.43Å; F5-F32 HydrophobicContact CB-CZ 3.64Å; F5-F32 AromaticContact CD1-CE2 3.65Å; F5-F32 HydrophobicContact CD1-CE2 3.65Å; F5-F32 AromaticContact CD1-CZ 3.64Å; F5-F32 HydrophobicContact CD1-CZ 3.64Å; F5-F32 AromaticContact CD2-CE2 3.74Å; F5-F32 HydrophobicContact CD2-CE2 3.74Å; F5-F32 HydrophobicContact CE1-CE2 4.33Å; F5-F32 HydrophobicContact CE1-CZ 4.44Å; F5-F32 HydrophobicContact CE2-CE2 4.38Å; F5-F32 AromaticContact CG-CE2 3.35Å; F5-F32 HydrophobicContact CG-CE2 3.35Å; F5-F32 AromaticContact CG-CZ 3.72Å; F5-F32 HydrophobicContact CG-CZ 3.72Å; F5-N36 PolarHBondContact O-ND2 2.91Å
6N49.1Very low55Low42 Ų4242.8 Ų42.823%0.22522%0.221CC..THydrogen-bonded Turntrans-67.1-11.7164.7-66.7-26.3000112.2T2 D3 N36 I37 H38T2-N6 PolarHBondContact O-N 3.37Å; D3-N6 WeakPolarHBondContact O-CB 3.47Å; D3-N6 PolarHBondContact O-N 2.78Å; N6-N36 VanDerWaalsContact OD1-CA 3.24Å; N6-N36 WeakPolarHBondContact OD1-CA 3.45Å; N6-I37 HydrophobicContact CB-CG2 4.09Å; N6-I37 PolarHBondContact OD1-N 3.16Å; N6-H38 PolarHBondContact O-NE2 3.18Å
7L49.6Very low56.1Low72 Ų7240.3 Ų40.338%0.37721%0.208SC..THydrogen-bonded Turntrans-86.3-8.5168.5-59.6173.6000113.5F5 G89F5-L7 PolarHBondContact O-N 2.79Å; L7-G89 WeakPolarHBondContact O-CA 3.12Å; L7-G89 PolarHBondContact O-N 3.25Å
8L59.1Low56.8Low23 Ų2338.1 Ų38.112%0.1220%0.196CC..SBendtrans-99.9134.3179.6-63.1178.7000110.8F5 I12 S13 H38 Y68F5-L8 HydrophobicContact CD1-CD1 3.69Å; F5-L8 HydrophobicContact CE1-CD1 4.29Å; F5-L8 HydrophobicContact CG-CD1 4.43Å; F5-L8 PolarHBondContact O-N 2.91Å; L8-I12 HydrophobicContact CB-CB 4.37Å; L8-I12 HydrophobicContact CB-CG2 4.06Å; L8-I12 HydrophobicContact CD1-CG2 3.91Å; L8-I12 HydrophobicContact CD2-CG2 4.45Å; L8-I12 HydrophobicContact CG-CG2 4.37Å; L8-S13 PolarHBondContact O-OG 3Å; L8-H38 PolarHBondContact O-CD2 2.76Å; L8-Y68 HydrophobicContact CD2-CD1 3.7Å; L8-Y68 HydrophobicContact CD2-CE1 3.53Å
9P62.1Low57.5Low12 Ų1238.4 Ų38.48%0.07820%0.196CC..  trans-50.1156.2176.6-2834.7000113.9E11 I12 S13 Y68P9-E11 WeakPolarHBondContact CB-OE2 3.45Å; P9-E11 PolarHBondContact O-N 3.19Å; P9-I12 HydrophobicContact CG-CD1 4.3Å; P9-I12 PolarHBondContact O-N 2.95Å; P9-S13 PolarHBondContact O-N 3.23Å; P9-S13 PolarHBondContact O-OG 2.89Å; P9-Y68 HydrophobicContact CG-CE2 4.03Å
10S60Low58.2Low50 Ų5038 Ų3835%0.3519%0.194SC..Hα-helixtrans-57.9-33.4-176.357.90000113.2G14S10-G14 PolarHBondContact O-N 2.79Å
11E60.4Low58.8Low94 Ų9437.5 Ų37.544%0.43919%0.19SC..Hα-helixtrans-63.6-44.7176.5-51.786.6165.600110.9P9 G14 L15 N92P9-E11 WeakPolarHBondContact CB-OE2 3.45Å; P9-E11 PolarHBondContact O-N 3.19Å; E11-G14 WeakPolarHBondContact O-CA 3.24Å; E11-G14 PolarHBondContact O-N 3.21Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 2.76Å; E11-N92 PolarHBondContact OE1-ND2 3.4Å
12I65.5Low60.6Low21 Ų2135.5 Ų35.511%0.10818%0.181CC..Hα-helixtrans-76.3-38.5-179.2-67.1164.9000110.8L8 P9 G14 L15 V16 I64 Y68L8-I12 HydrophobicContact CB-CB 4.37Å; L8-I12 HydrophobicContact CB-CG2 4.06Å; L8-I12 HydrophobicContact CD1-CG2 3.91Å; L8-I12 HydrophobicContact CD2-CG2 4.45Å; L8-I12 HydrophobicContact CG-CG2 4.37Å; P9-I12 HydrophobicContact CG-CD1 4.3Å; P9-I12 PolarHBondContact O-N 2.95Å; I12-G14 PolarHBondContact O-N 3.24Å; I12-L15 HydrophobicContact CG1-CD1 4.48Å; I12-L15 WeakPolarHBondContact O-CB 3.3Å; I12-L15 PolarHBondContact O-N 3.4Å; I12-V16 HydrophobicContact CG2-CG2 4.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 3.42Å; I12-I64 HydrophobicContact CG2-CG2 4.04Å; I12-Y68 HydrophobicContact CD1-CD1 4.15Å; I12-Y68 HydrophobicContact CD1-CD2 3.16Å; I12-Y68 HydrophobicContact CD1-CE2 3.69Å; I12-Y68 HydrophobicContact CD1-CG 3.41Å; I12-Y68 VanDerWaalsContact CD1-CG 3.41Å
13S68.2Low62.2Low0 Ų037.7 Ų37.70%020%0.197CC..Hα-helixtrans-56.9-36.2167.6-69.10000111F5 L8 P9 L17 F32 N36F5-S13 PolarHBondContact O-OG 3.08Å; L8-S13 PolarHBondContact O-OG 3Å; P9-S13 PolarHBondContact O-N 3.23Å; P9-S13 PolarHBondContact O-OG 2.89Å; S13-L17 WeakPolarHBondContact O-CB 3.49Å; S13-L17 PolarHBondContact O-N 3.02Å; S13-F32 WeakPolarHBondContact O-CE1 3.4Å; S13-N36 PolarHBondContact OG-ND2 3.18Å
14G66.2Low63.6Low7 Ų739.2 Ų39.27%0.07221%0.205CC..Hα-helixtrans-63.9-43.6170.300000113.8S10 E11 I12 L17 G18 L54S10-G14 PolarHBondContact O-N 2.79Å; E11-G14 WeakPolarHBondContact O-CA 3.24Å; E11-G14 PolarHBondContact O-N 3.21Å; I12-G14 PolarHBondContact O-N 3.24Å; G14-L17 PolarHBondContact O-N 3.14Å; G14-G18 PolarHBondContact O-N 3.07Å; G14-G18 VanDerWaalsContact O-N 3.07Å; G14-L54 WeakPolarHBondContact O-CD1 3.38Å
15L68.4Low64.9Low47 Ų4738.2 Ų38.225%0.24621%0.209CC..Hα-helixtrans-59.7-47.8174.2-63.3179.2000111.5E11 I12 L17 G18 F19 F56 I64E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 2.76Å; I12-L15 HydrophobicContact CG1-CD1 4.48Å; I12-L15 WeakPolarHBondContact O-CB 3.3Å; I12-L15 PolarHBondContact O-N 3.4Å; L15-L17 PolarHBondContact O-N 3.11Å; L15-G18 PolarHBondContact O-N 3.43Å; L15-F19 PolarHBondContact O-N 2.96Å; L15-F56 HydrophobicContact CD2-CE1 3.71Å; L15-F56 HydrophobicContact CD2-CE2 4.05Å; L15-F56 HydrophobicContact CD2-CZ 3.45Å; L15-F56 VanDerWaalsContact CD2-CZ 3.45Å; L15-I64 HydrophobicContact CB-CD1 4.05Å; L15-I64 HydrophobicContact CB-CG1 4.37Å; L15-I64 HydrophobicContact CB-CG2 3.89Å; L15-I64 HydrophobicContact CD1-CG1 4.39Å; L15-I64 HydrophobicContact CD1-CG2 3.84Å
16V70.9Confident65.8Low2 Ų239 Ų391%0.01222%0.216CC..Hα-helixtrans-61.6-44178175.50000111.5F5 I12 G18 F19 L20 F32 L61F5-V16 HydrophobicContact CD1-CB 4.43Å; F5-V16 HydrophobicContact CD1-CG1 3.92Å; F5-V16 HydrophobicContact CD1-CG2 4.08Å; F5-V16 HydrophobicContact CE1-CB 4.41Å; F5-V16 HydrophobicContact CE1-CG1 3.65Å; F5-V16 HydrophobicContact CE1-CG2 3.98Å; F5-V16 HydrophobicContact CZ-CG1 4.49Å; I12-V16 HydrophobicContact CG2-CG2 4.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 3.42Å; V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 2.8Å; V16-F19 PolarHBondContact O-N 3.47Å; V16-L20 HydrophobicContact CG1-CD1 4.07Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.49Å; V16-L20 PolarHBondContact O-N 3.42Å; V16-F32 HydrophobicContact CB-CE1 3.89Å; V16-F32 HydrophobicContact CB-CZ 3.92Å; V16-F32 HydrophobicContact CG1-CD1 4.39Å; V16-F32 HydrophobicContact CG1-CE1 3.66Å; V16-F32 HydrophobicContact CG1-CE2 4.1Å; V16-F32 HydrophobicContact CG1-CZ 3.5Å; V16-L61 HydrophobicContact CG1-CD1 4.31Å; V16-L61 HydrophobicContact CG2-CD1 3.72Å
17L73.4Confident66.9Low1 Ų143.2 Ų43.21%0.00524%0.243CC..Hα-helixtrans-59.3-43.1176.9179.266.4000111.8S13 G14 L15 R21 A29 F32 L33 L39 F42 I52S13-L17 WeakPolarHBondContact O-CB 3.49Å; S13-L17 PolarHBondContact O-N 3.02Å; G14-L17 PolarHBondContact O-N 3.14Å; L15-L17 PolarHBondContact O-N 3.11Å; L17-R21 WeakPolarHBondContact O-CB 3.48Å; L17-R21 PolarHBondContact O-N 3.4Å; L17-R21 VanDerWaalsContact O-N 3.09Å; L17-A29 HydrophobicContact CD1-CB 4.23Å; L17-A29 WeakPolarHBondContact CD1-O 3.32Å; L17-F32 HydrophobicContact CB-CD1 4.07Å; L17-F32 HydrophobicContact CB-CE1 4.24Å; L17-F32 HydrophobicContact CD1-CD1 4.11Å; L17-L33 HydrophobicContact CD1-CB 3.98Å; L17-L33 HydrophobicContact CD2-CD1 4.11Å; L17-L39 HydrophobicContact CB-CD1 4.09Å; L17-L39 HydrophobicContact CD1-CD1 4.27Å; L17-L39 HydrophobicContact CD2-CD1 4.02Å; L17-L39 HydrophobicContact CD2-CD2 4.09Å; L17-L39 HydrophobicContact CG-CD1 4.36Å; L17-F42 HydrophobicContact CD2-CD1 4.26Å; L17-F42 HydrophobicContact CD2-CG 4.27Å; L17-I52 HydrophobicContact CD2-CD1 3.69Å; L17-I52 HydrophobicContact CG-CD1 4.48Å
18G69.6Low67.9Low0 Ų041.3 Ų41.30%024%0.238CC..Hα-helixtrans-69.6-35.8176.200000113.3G14 L15 V16 R21 D22G14-G18 PolarHBondContact O-N 3.07Å; G14-G18 VanDerWaalsContact O-N 3.07Å; L15-G18 PolarHBondContact O-N 3.43Å; V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 2.8Å; G18-R21 WeakPolarHBondContact O-CB 3.44Å; G18-R21 PolarHBondContact O-N 2.95Å; G18-D22 PolarHBondContact O-N 3.43Å
19F68.7Low68.6Low45 Ų4540.2 Ų40.220%0.19723%0.232CC..Hα-helixtrans-62.5-49.8173.4176.2-97.6000111.1L15 V16 R21 D22 S23 L59 L61 I64L15-F19 PolarHBondContact O-N 2.96Å; V16-F19 PolarHBondContact O-N 3.47Å; F19-R21 PolarHBondContact O-N 3.24Å; F19-D22 PolarHBondContact O-N 3.34Å; F19-S23 WeakPolarHBondContact O-CB 3.26Å; F19-S23 PolarHBondContact O-N 3.43Å; F19-S23 PolarHBondContact O-OG 2.83Å; F19-S23 VanDerWaalsContact O-OG 3.06Å; F19-L59 WeakPolarHBondContact CD2-O 3.33Å; F19-L59 WeakPolarHBondContact CE2-O 3.36Å; F19-L61 HydrophobicContact CD1-CB 3.95Å; F19-L61 HydrophobicContact CE1-CB 3.76Å; F19-L61 HydrophobicContact CG-CB 4.5Å; F19-L61 HydrophobicContact CZ-CB 4.16Å; F19-I64 HydrophobicContact CB-CD1 4.4Å
20L72.9Confident69.1Low30 Ų3040.3 Ų40.316%0.15724%0.235CC..Hα-helixtrans-58.9-32.9175.7-67.6170.8000112.3V16 C25 A28 A29 F32V16-L20 HydrophobicContact CG1-CD1 4.07Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.49Å; V16-L20 PolarHBondContact O-N 3.42Å; L20-C25 HydrophobicContact CD2-CB 4.35Å; L20-C25 WeakPolarHBondContact O-CA 3.35Å; L20-C25 WeakPolarHBondContact O-CB 3.4Å; L20-C25 PolarHBondContact O-N 2.97Å; L20-A28 HydrophobicContact CD2-CB 4.47Å; L20-A29 HydrophobicContact CB-CB 3.79Å; L20-F32 HydrophobicContact CD1-CB 4.02Å; L20-F32 HydrophobicContact CD1-CD1 4.12Å; L20-F32 HydrophobicContact CD1-CD2 4.35Å; L20-F32 HydrophobicContact CD1-CG 3.92Å
21R71.1Confident69.7Low28 Ų2838.7 Ų38.711%0.10623%0.225CC..Hα-helixtrans-71.2-46.4175.7-174.5175.6179-81.3-0.3112.5L17 G18 F19 N24 V49 N50 I52 L54 Y55L17-R21 WeakPolarHBondContact O-CB 3.48Å; L17-R21 PolarHBondContact O-N 3.4Å; L17-R21 VanDerWaalsContact O-N 3.09Å; G18-R21 WeakPolarHBondContact O-CB 3.44Å; G18-R21 PolarHBondContact O-N 2.95Å; F19-R21 PolarHBondContact O-N 3.24Å; R21-N24 WeakPolarHBondContact O-CA 3.22Å; R21-N24 PolarHBondContact O-N 3.33Å; R21-V49 HydrophobicContact CB-CG1 4.19Å; R21-V49 WeakPolarHBondContact CD-O 3.47Å; R21-V49 HydrophobicContact CG-CG1 4.01Å; R21-V49 PolarHBondContact NE-O 3.22Å; R21-N50 PolarHBondContact NH2-O 3.15Å; R21-I52 PolarHBondContact NE-O 3.37Å; R21-I52 PolarHBondContact NH1-O 3.06Å; R21-I52 PolarHBondContact NH2-O 3.17Å; R21-I52 VanDerWaalsContact NH2-O 3.13Å; R21-L54 PolarHBondContact NH1-O 3.39Å; R21-Y55 PolarHBondContact NH1-OH 3.27Å; R21-Y55 PolarHBondContact NH2-OH 2.89Å; R21-Y55 VanDerWaalsContact NH2-OH 3.1Å
22D71Confident70.6Confident55 Ų5534.4 Ų34.429%0.29421%0.205SC..Hα-helixtrans-73.4-26.7179.3-90.126.8000113.1G18 F19 N24 Y55 F56G18-D22 PolarHBondContact O-N 3.43Å; F19-D22 PolarHBondContact O-N 3.34Å; D22-N24 PolarHBondContact O-N 3.22Å; D22-Y55 WeakPolarHBondContact OD1-CA 3.2Å; D22-Y55 WeakPolarHBondContact OD1-CD1 3.15Å; D22-Y55 WeakPolarHBondContact OD2-CA 3.42Å; D22-F56 PolarHBondContact OD2-N 2.8Å
23S69.3Low71.2Confident54 Ų5434 Ų3438%0.37820%0.203SC..THydrogen-bonded Turntrans-71.20.7166.1-60.90000113.6F19 C25F19-S23 WeakPolarHBondContact O-CB 3.26Å; F19-S23 PolarHBondContact O-N 3.43Å; F19-S23 PolarHBondContact O-OG 2.83Å; F19-S23 VanDerWaalsContact O-OG 3.06Å; S23-C25 VanDerWaalsContact CB-SG 3.6Å; S23-C25 PolarHBondContact O-N 2.96Å
24N67.9Low71.6Confident131 Ų13142.1 Ų42.170%0.70123%0.234SC*.THydrogen-bonded Turntrans60.918.9-176-158.948.7000114.4R21 D22 V26R21-N24 WeakPolarHBondContact O-CA 3.22Å; R21-N24 PolarHBondContact O-N 3.33Å; D22-N24 PolarHBondContact O-N 3.22Å; N24-V26 PolarHBondContact O-N 2.76Å
25C69.4Low71.8Confident56 Ų5646 Ų4638%0.37825%0.25SC..  trans-80.649.5178.9-54.30000111.5L20 S23 V27 A28 A29L20-C25 HydrophobicContact CD2-CB 4.35Å; L20-C25 WeakPolarHBondContact O-CA 3.35Å; L20-C25 WeakPolarHBondContact O-CB 3.4Å; L20-C25 PolarHBondContact O-N 2.97Å; S23-C25 VanDerWaalsContact CB-SG 3.6Å; S23-C25 PolarHBondContact O-N 2.96Å; C25-V27 PolarHBondContact O-N 3Å; C25-V27 VanDerWaalsContact O-N 3.1Å; C25-A28 HydrophobicContact CB-CB 4.17Å; C25-A28 PolarHBondContact O-N 2.82Å; C25-A29 PolarHBondContact O-N 3.01Å
26V69.9Low71.9Confident50 Ų5043.8 Ų43.830%0.30324%0.238SC..Hα-helixtrans-55.4-35.6-167.7-176.50000113.1N24 G30 N50N24-V26 PolarHBondContact O-N 2.76Å; V26-G30 PolarHBondContact O-N 2.89Å; V26-N50 WeakPolarHBondContact CG1-OD1 3.5Å
27V71.3Confident71.8Confident130 Ų13048.7 Ų48.779%0.78826%0.263SS*.Hα-helixtrans-67.5-45.3176.5-178.50000111.6C25 G30 A31C25-V27 PolarHBondContact O-N 3Å; C25-V27 VanDerWaalsContact O-N 3.1Å; V27-G30 PolarHBondContact O-N 2.85Å; V27-A31 PolarHBondContact O-N 2.94Å
28A70.6Confident71.5Confident31 Ų3151.5 Ų51.526%0.25628%0.276SS..Hα-helixtrans-66.7-44.9177.300000111L20 C25 G30 A31 F32L20-A28 HydrophobicContact CD2-CB 4.47Å; C25-A28 HydrophobicContact CB-CB 4.17Å; C25-A28 PolarHBondContact O-N 2.82Å; A28-G30 PolarHBondContact O-N 3.45Å; A28-A31 PolarHBondContact O-N 3.03Å; A28-F32 WeakPolarHBondContact O-CB 3.45Å; A28-F32 PolarHBondContact O-N 3.04Å
29A74.8Confident71.5Confident0 Ų051.5 Ų51.50%028%0.276CS..Hα-helixtrans-58.3-33.9171.700000112.3L17 L20 C25 L33 V49L17-A29 HydrophobicContact CD1-CB 4.23Å; L17-A29 WeakPolarHBondContact CD1-O 3.32Å; L20-A29 HydrophobicContact CB-CB 3.79Å; C25-A29 PolarHBondContact O-N 3.01Å; A29-L33 VanDerWaalsContact O-CB 3.24Å; A29-L33 WeakPolarHBondContact O-CB 3.39Å; A29-L33 PolarHBondContact O-N 3.39Å; A29-V49 HydrophobicContact CB-CG1 3.71Å; A29-V49 HydrophobicContact CB-CG2 4.12Å
30G72.3Confident71.5Confident14 Ų1451.7 Ų51.714%0.14428%0.283CS..Hα-helixtrans-71.5-42176.900000113.4V26 V27 A28 R34V26-G30 PolarHBondContact O-N 2.89Å; V27-G30 PolarHBondContact O-N 2.85Å; A28-G30 PolarHBondContact O-N 3.45Å; G30-R34 VanDerWaalsContact O-CG 3.31Å; G30-R34 WeakPolarHBondContact O-CG 3.03Å; G30-R34 PolarHBondContact O-N 3.23Å
31A72.3Confident71.1Confident17 Ų1756.3 Ų56.314%0.1430%0.304CS..Hα-helixtrans-61.6-48169.500000110.8V27 A28 L33 R34 E35V27-A31 PolarHBondContact O-N 2.94Å; A28-A31 PolarHBondContact O-N 3.03Å; A31-L33 PolarHBondContact O-N 2.86Å; A31-R34 PolarHBondContact O-N 2.99Å; A31-E35 WeakPolarHBondContact CB-OE1 3.17Å; A31-E35 WeakPolarHBondContact O-CG 3.24Å; A31-E35 PolarHBondContact O-N 3.29Å
32F79Confident70.9Confident3 Ų357.2 Ų57.21%0.01331%0.309CS..Hα-helixtrans-55.5-49.7178.4-162.4-110.7000113T2 F5 S13 V16 L17 L20 A28 R34 N36 L39T2-F32 HydrophobicContact CG2-CD2 3.78Å; T2-F32 HydrophobicContact CG2-CE2 4.34Å; F5-F32 HydrophobicContact CB-CE2 3.43Å; F5-F32 VanDerWaalsContact CB-CE2 3.43Å; F5-F32 HydrophobicContact CB-CZ 3.64Å; F5-F32 AromaticContact CD1-CE2 3.65Å; F5-F32 HydrophobicContact CD1-CE2 3.65Å; F5-F32 AromaticContact CD1-CZ 3.64Å; F5-F32 HydrophobicContact CD1-CZ 3.64Å; F5-F32 AromaticContact CD2-CE2 3.74Å; F5-F32 HydrophobicContact CD2-CE2 3.74Å; F5-F32 HydrophobicContact CE1-CE2 4.33Å; F5-F32 HydrophobicContact CE1-CZ 4.44Å; F5-F32 HydrophobicContact CE2-CE2 4.38Å; F5-F32 AromaticContact CG-CE2 3.35Å; F5-F32 HydrophobicContact CG-CE2 3.35Å; F5-F32 AromaticContact CG-CZ 3.72Å; F5-F32 HydrophobicContact CG-CZ 3.72Å; S13-F32 WeakPolarHBondContact O-CE1 3.4Å; V16-F32 HydrophobicContact CB-CE1 3.89Å; V16-F32 HydrophobicContact CB-CZ 3.92Å; V16-F32 HydrophobicContact CG1-CD1 4.39Å; V16-F32 HydrophobicContact CG1-CE1 3.66Å; V16-F32 HydrophobicContact CG1-CE2 4.1Å; V16-F32 HydrophobicContact CG1-CZ 3.5Å; L17-F32 HydrophobicContact CB-CD1 4.07Å; L17-F32 HydrophobicContact CB-CE1 4.24Å; L17-F32 HydrophobicContact CD1-CD1 4.11Å; L20-F32 HydrophobicContact CD1-CB 4.02Å; L20-F32 HydrophobicContact CD1-CD1 4.12Å; L20-F32 HydrophobicContact CD1-CD2 4.35Å; L20-F32 HydrophobicContact CD1-CG 3.92Å; A28-F32 WeakPolarHBondContact O-CB 3.45Å; A28-F32 PolarHBondContact O-N 3.04Å; F32-R34 VanDerWaalsContact C-N 3.28Å; F32-R34 PolarHBondContact O-N 3.4Å; F32-N36 WeakPolarHBondContact O-CB 3.41Å; F32-N36 PolarHBondContact O-N 2.96Å; F32-L39 HydrophobicContact CD1-CD1 3.44Å; F32-L39 VanDerWaalsContact CD1-CD1 3.44Å; F32-L39 HydrophobicContact CE1-CD1 3.56Å; F32-L39 HydrophobicContact CG-CD1 4.38Å
33L78.7Confident70.9Confident13 Ų1359 Ų597%0.06831%0.312CS..Hα-helixtrans-63-29.7176.2177.961.7000113L17 A29 A31 L39 F42 R43 V49 I52L17-L33 HydrophobicContact CD1-CB 3.98Å; L17-L33 HydrophobicContact CD2-CD1 4.11Å; A29-L33 VanDerWaalsContact O-CB 3.24Å; A29-L33 WeakPolarHBondContact O-CB 3.39Å; A29-L33 PolarHBondContact O-N 3.39Å; A31-L33 PolarHBondContact O-N 2.86Å; L33-L39 HydrophobicContact CD1-CB 4.36Å; L33-F42 HydrophobicContact CD1-CB 3.65Å; L33-R43 HydrophobicContact CD1-CG 4.01Å; L33-R43 HydrophobicContact CG-CG 4.25Å; L33-R43 WeakPolarHBondContact O-CD 3.4Å; L33-R43 WeakPolarHBondContact O-CG 3.4Å; L33-R43 PolarHBondContact O-NH1 3.45Å; L33-V49 HydrophobicContact CB-CG2 4.28Å; L33-V49 HydrophobicContact CD2-CG2 3.77Å; L33-I52 HydrophobicContact CD1-CD1 4.23Å; L33-I52 HydrophobicContact CD2-CD1 3.81Å
34R75.2Confident70.6Confident171 Ų17163 Ų6365%0.64532%0.324SS*.Hα-helixtrans-78.4-45.8178-73.9-177.4-51.3-1331.9112.5G30 A31 F32 R43G30-R34 VanDerWaalsContact O-CG 3.31Å; G30-R34 WeakPolarHBondContact O-CG 3.03Å; G30-R34 PolarHBondContact O-N 3.23Å; A31-R34 PolarHBondContact O-N 2.99Å; F32-R34 VanDerWaalsContact C-N 3.28Å; F32-R34 PolarHBondContact O-N 3.4Å; R34-R43 PolarHBondContact O-NH1 3.02Å
35E71.7Confident70.3Confident89 Ų8962.7 Ų62.742%0.41632%0.318SS..Hα-helixtrans-96.8-25.6-164.1-60153.3-150.100113.8T2 A31 I37T2-E35 HydrophobicContact CG2-CB 3.67Å; T2-E35 WeakPolarHBondContact CG2-OE2 3.44Å; T2-E35 WeakPolarHBondContact OG1-CB 3.23Å; T2-E35 PolarHBondContact OG1-OE2 3.2Å; A31-E35 WeakPolarHBondContact CB-OE1 3.17Å; A31-E35 WeakPolarHBondContact O-CG 3.24Å; A31-E35 PolarHBondContact O-N 3.29Å; E35-I37 PolarHBondContact O-N 3.17Å
36N69Low70.2Confident0 Ų061.9 Ų61.90%031%0.307CS..  trans-69.8128.1179.4179.5-55.6000111T2 F5 N6 S13 F32 H38 L39 R43T2-N36 HydrophobicContact CG2-CB 4.42Å; F5-N36 PolarHBondContact O-ND2 2.91Å; N6-N36 VanDerWaalsContact OD1-CA 3.24Å; N6-N36 WeakPolarHBondContact OD1-CA 3.45Å; S13-N36 PolarHBondContact OG-ND2 3.18Å; F32-N36 WeakPolarHBondContact O-CB 3.41Å; F32-N36 PolarHBondContact O-N 2.96Å; N36-H38 PolarHBondContact O-N 3.25Å; N36-H38 WeakPolarHBondContact OD1-CA 3.4Å; N36-H38 WeakPolarHBondContact OD1-CB 3.46Å; N36-H38 PolarHBondContact OD1-N 3.39Å; N36-L39 HydrophobicContact CB-CB 4.25Å; N36-L39 HydrophobicContact CB-CD1 3.99Å; N36-L39 HydrophobicContact CB-CG 4.1Å; N36-L39 PolarHBondContact O-N 3.09Å; N36-L39 PolarHBondContact OD1-N 2.78Å; N36-L39 VanDerWaalsContact OD1-N 3.12Å; N36-R43 PolarHBondContact O-NH1 2.96Å; N36-R43 PolarHBondContact O-NH2 2.8Å
37I70Confident69.8Low104 Ų10464.2 Ų64.253%0.53333%0.332SS..SBendtrans-67.7-36.9-174.8-163.5168.6000112.7N6 E35 S40N6-I37 HydrophobicContact CB-CG2 4.09Å; N6-I37 PolarHBondContact OD1-N 3.16Å; E35-I37 PolarHBondContact O-N 3.17Å; I37-S40 VanDerWaalsContact O-CB 3.31Å; I37-S40 WeakPolarHBondContact O-CB 3.29Å; I37-S40 PolarHBondContact O-N 3.39Å; I37-S40 PolarHBondContact O-OG 3.03Å
38H66.1Low69.4Low60 Ų6060 Ų6028%0.27831%0.308SS..THydrogen-bonded Turntrans-76.7-22.4-176.8-56.6-59.7000113.2N6 L8 N36 S40N6-H38 PolarHBondContact O-NE2 3.18Å; L8-H38 PolarHBondContact O-CD2 2.76Å; N36-H38 PolarHBondContact O-N 3.25Å; N36-H38 WeakPolarHBondContact OD1-CA 3.4Å; N36-H38 WeakPolarHBondContact OD1-CB 3.46Å; N36-H38 PolarHBondContact OD1-N 3.39Å; H38-S40 PolarHBondContact O-N 3.39Å
39L69.4Low69.2Low0 Ų059 Ų590%030%0.298CS..THydrogen-bonded Turntrans-78.110.5171.9-66.8-178.1000114.2L17 F32 L33 N36 E41 F42 R43L17-L39 HydrophobicContact CB-CD1 4.09Å; L17-L39 HydrophobicContact CD1-CD1 4.27Å; L17-L39 HydrophobicContact CD2-CD1 4.02Å; L17-L39 HydrophobicContact CD2-CD2 4.09Å; L17-L39 HydrophobicContact CG-CD1 4.36Å; F32-L39 HydrophobicContact CD1-CD1 3.44Å; F32-L39 VanDerWaalsContact CD1-CD1 3.44Å; F32-L39 HydrophobicContact CE1-CD1 3.56Å; F32-L39 HydrophobicContact CG-CD1 4.38Å; L33-L39 HydrophobicContact CD1-CB 4.36Å; N36-L39 HydrophobicContact CB-CB 4.25Å; N36-L39 HydrophobicContact CB-CD1 3.99Å; N36-L39 HydrophobicContact CB-CG 4.1Å; N36-L39 PolarHBondContact O-N 3.09Å; N36-L39 PolarHBondContact OD1-N 2.78Å; N36-L39 VanDerWaalsContact OD1-N 3.12Å; L39-E41 PolarHBondContact O-N 2.89Å; L39-F42 HydrophobicContact CD2-CD2 3.58Å; L39-F42 HydrophobicContact CD2-CE2 3.97Å; L39-F42 HydrophobicContact CD2-CG 4.31Å; L39-F42 PolarHBondContact O-N 2.9Å; L39-F42 VanDerWaalsContact O-N 3.1Å; L39-R43 PolarHBondContact O-N 2.74Å; L39-R43 VanDerWaalsContact O-N 3.1Å
40S69Low68.7Low50 Ų5063.8 Ų63.835%0.3532%0.324SS..Hα-helixtrans-56.5-34.8174.949.60000113.3I37 H38 R43 H44I37-S40 VanDerWaalsContact O-CB 3.31Å; I37-S40 WeakPolarHBondContact O-CB 3.29Å; I37-S40 PolarHBondContact O-N 3.39Å; I37-S40 PolarHBondContact O-OG 3.03Å; H38-S40 PolarHBondContact O-N 3.39Å; S40-R43 PolarHBondContact O-N 3.45Å; S40-H44 PolarHBondContact O-N 2.76Å; S40-H44 PolarHBondContact O-ND1 3.21Å
41E64.5Low68.2Low127 Ų12767.8 Ų67.859%0.59334%0.339SS*.Hα-helixtrans-64.3-41.8174.4-174.3175.5-170.200112.2L39 R43 H44 H45L39-E41 PolarHBondContact O-N 2.89Å; E41-R43 PolarHBondContact O-N 3.49Å; E41-H44 PolarHBondContact O-N 3.47Å; E41-H45 PolarHBondContact O-N 3.32Å; E41-H45 PolarHBondContact O-ND1 2.94Å
42F66.5Low67.8Low47 Ų4767 Ų6721%0.20633%0.332CS..Hα-helixtrans-65.5-38.7177-73-92.5000111.6L17 L33 L39 H44 H45 Y46 I52 L54L17-F42 HydrophobicContact CD2-CD1 4.26Å; L17-F42 HydrophobicContact CD2-CG 4.27Å; L33-F42 HydrophobicContact CD1-CB 3.65Å; L39-F42 HydrophobicContact CD2-CD2 3.58Å; L39-F42 HydrophobicContact CD2-CE2 3.97Å; L39-F42 HydrophobicContact CD2-CG 4.31Å; L39-F42 PolarHBondContact O-N 2.9Å; L39-F42 VanDerWaalsContact O-N 3.1Å; F42-H44 PolarHBondContact O-N 3.08Å; F42-H45 PolarHBondContact O-N 2.75Å; F42-H45 VanDerWaalsContact O-N 3.09Å; F42-Y46 HydrophobicContact CD1-CD2 4.14Å; F42-Y46 HydrophobicContact CD1-CE2 4.04Å; F42-Y46 PolarHBondContact O-N 3.26Å; F42-I52 HydrophobicContact CD1-CD1 4.35Å; F42-I52 HydrophobicContact CD1-CG2 4.08Å; F42-I52 HydrophobicContact CE1-CG2 4.16Å; F42-L54 HydrophobicContact CE1-CD1 3.84Å; F42-L54 HydrophobicContact CE1-CG 4.44Å; F42-L54 HydrophobicContact CZ-CD1 4.18Å
43R72.4Confident66.8Low93 Ų9370 Ų7035%0.35135%0.353SS..Hα-helixtrans-60.4-25.4174.3-72.1-165.9-74.3-79.29.1114.2L33 R34 N36 L39 S40 E41L33-R43 HydrophobicContact CD1-CG 4.01Å; L33-R43 HydrophobicContact CG-CG 4.25Å; L33-R43 WeakPolarHBondContact O-CD 3.4Å; L33-R43 WeakPolarHBondContact O-CG 3.4Å; L33-R43 PolarHBondContact O-NH1 3.45Å; R34-R43 PolarHBondContact O-NH1 3.02Å; N36-R43 PolarHBondContact O-NH1 2.96Å; N36-R43 PolarHBondContact O-NH2 2.8Å; L39-R43 PolarHBondContact O-N 2.74Å; L39-R43 VanDerWaalsContact O-N 3.1Å; S40-R43 PolarHBondContact O-N 3.45Å; E41-R43 PolarHBondContact O-N 3.49Å
44H62.5Low65.8Low136 Ų13671 Ų7163%0.6336%0.358SS*.Hα-helixtrans-83.5-21.1176.4-74.984.3000113.3S40 E41 F42S40-H44 PolarHBondContact O-N 2.76Å; S40-H44 PolarHBondContact O-ND1 3.21Å; E41-H44 PolarHBondContact O-N 3.47Å; F42-H44 PolarHBondContact O-N 3.08Å
45H61.7Low64.7Low126 Ų12670.1 Ų70.158%0.58336%0.355SS*.Hα-helixtrans-105.8-21.8-172.9-7198.3000114.3E41 F42E41-H45 PolarHBondContact O-N 3.32Å; E41-H45 PolarHBondContact O-ND1 2.94Å; F42-H45 PolarHBondContact O-N 2.75Å; F42-H45 VanDerWaalsContact O-N 3.09Å
46Y68.2Low64Low39 Ų3967.4 Ų67.415%0.15334%0.342CS..  trans-135.8128.6-174.9-54.7-79.9000110.7F42 E51 I52 P53F42-Y46 HydrophobicContact CD1-CD2 4.14Å; F42-Y46 HydrophobicContact CD1-CE2 4.04Å; F42-Y46 PolarHBondContact O-N 3.26Å; Y46-E51 HydrophobicContact CD1-CB 3.91Å; Y46-I52 HydrophobicContact CD1-CG1 4.15Å; Y46-I52 HydrophobicContact CD2-CD1 4.38Å; Y46-I52 HydrophobicContact CD2-CG1 3.78Å; Y46-I52 HydrophobicContact CE2-CG1 4.49Å; Y46-I52 HydrophobicContact CG-CB 4.42Å; Y46-I52 HydrophobicContact CG-CD1 4.47Å; Y46-I52 HydrophobicContact CG-CG1 3.58Å; Y46-P53 VanDerWaalsContact CE1-CD 3.45Å; Y46-P53 HydrophobicContact CE1-CG 4.44Å; Y46-P53 VanDerWaalsContact CZ-CD 3.47Å; Y46-P53 VanDerWaalsContact OH-CD 3.3Å; Y46-P53 WeakPolarHBondContact OH-CD 3.3Å
47A61.1Low63Low99 Ų9977 Ų7782%0.81838%0.378SS*.SBendtrans-80.6-24.2179.900000112.2E51A47-E51 PolarHBondContact N-OE2 2.99Å
48S63.1Low62.2Low41 Ų4180.9 Ų80.929%0.28739%0.394SS..SBendtrans-139.7155.3173.274.90000112.6N50 E51S48-N50 PolarHBondContact O-N 3.12Å; S48-N50 VanDerWaalsContact O-N 3.15Å; S48-E51 VanDerWaalsContact CB-OE1 3.29Å; S48-E51 WeakPolarHBondContact CB-OE1 3.4Å; S48-E51 PolarHBondContact N-OE1 3.28Å; S48-E51 VanDerWaalsContact N-OE1 3.09Å; S48-E51 PolarHBondContact N-OE2 3.1Å; S48-E51 PolarHBondContact O-N 3.37Å; S48-E51 VanDerWaalsContact O-N 3.14Å; S48-E51 VanDerWaalsContact OG-CD 3.32Å; S48-E51 PolarHBondContact OG-OE1 2.81Å
49V66.6Low61.7Low9 Ų979 Ų796%0.05539%0.387CS..G310 helixtrans-54-32.8173.3176.90000111.8R21 A29 L33 E51 I52R21-V49 HydrophobicContact CB-CG1 4.19Å; R21-V49 WeakPolarHBondContact CD-O 3.47Å; R21-V49 HydrophobicContact CG-CG1 4.01Å; R21-V49 PolarHBondContact NE-O 3.22Å; A29-V49 HydrophobicContact CB-CG1 3.71Å; A29-V49 HydrophobicContact CB-CG2 4.12Å; L33-V49 HydrophobicContact CB-CG2 4.28Å; L33-V49 HydrophobicContact CD2-CG2 3.77Å; V49-E51 VanDerWaalsContact C-N 3.26Å; V49-E51 PolarHBondContact O-N 3.03Å; V49-I52 WeakPolarHBondContact O-CB 3.26Å; V49-I52 PolarHBondContact O-N 2.88Å
50N62.5Low61.1Low101 Ų10182.2 Ų82.254%0.5441%0.406SS..G310 helixtrans-65.4-30.7-176.6-64.6-13.7000112.1R21 V26 S48R21-N50 PolarHBondContact NH2-O 3.15Å; V26-N50 WeakPolarHBondContact CG1-OD1 3.5Å; S48-N50 PolarHBondContact O-N 3.12Å; S48-N50 VanDerWaalsContact O-N 3.15Å
51E62.1Low60.6Low98 Ų9881.9 Ų81.946%0.45840%0.4SS..G310 helixtrans-74.5-22.4177.6-66146-132.400113.5Y46 A47 S48 V49 P53Y46-E51 HydrophobicContact CD1-CB 3.91Å; A47-E51 PolarHBondContact N-OE2 2.99Å; S48-E51 VanDerWaalsContact CB-OE1 3.29Å; S48-E51 WeakPolarHBondContact CB-OE1 3.4Å; S48-E51 PolarHBondContact N-OE1 3.28Å; S48-E51 VanDerWaalsContact N-OE1 3.09Å; S48-E51 PolarHBondContact N-OE2 3.1Å; S48-E51 PolarHBondContact O-N 3.37Å; S48-E51 VanDerWaalsContact O-N 3.14Å; S48-E51 VanDerWaalsContact OG-CD 3.32Å; S48-E51 PolarHBondContact OG-OE1 2.81Å; V49-E51 VanDerWaalsContact C-N 3.26Å; V49-E51 PolarHBondContact O-N 3.03Å; E51-P53 WeakPolarHBondContact O-CD 3.42Å
52I64.8Low60.3Low0 Ų080.2 Ų80.20%040%0.395CS..  trans-69117.8-173.7-57.2-175.4000109.9L17 R21 L33 F42 Y46 V49 L54L17-I52 HydrophobicContact CD2-CD1 3.69Å; L17-I52 HydrophobicContact CG-CD1 4.48Å; R21-I52 PolarHBondContact NE-O 3.37Å; R21-I52 PolarHBondContact NH1-O 3.06Å; R21-I52 PolarHBondContact NH2-O 3.17Å; R21-I52 VanDerWaalsContact NH2-O 3.13Å; L33-I52 HydrophobicContact CD1-CD1 4.23Å; L33-I52 HydrophobicContact CD2-CD1 3.81Å; F42-I52 HydrophobicContact CD1-CD1 4.35Å; F42-I52 HydrophobicContact CD1-CG2 4.08Å; F42-I52 HydrophobicContact CE1-CG2 4.16Å; Y46-I52 HydrophobicContact CD1-CG1 4.15Å; Y46-I52 HydrophobicContact CD2-CD1 4.38Å; Y46-I52 HydrophobicContact CD2-CG1 3.78Å; Y46-I52 HydrophobicContact CE2-CG1 4.49Å; Y46-I52 HydrophobicContact CG-CB 4.42Å; Y46-I52 HydrophobicContact CG-CD1 4.47Å; Y46-I52 HydrophobicContact CG-CG1 3.58Å; V49-I52 WeakPolarHBondContact O-CB 3.26Å; V49-I52 PolarHBondContact O-N 2.88Å; I52-L54 HydrophobicContact CG2-CB 4.06Å; I52-L54 HydrophobicContact CG2-CD1 3.74Å; I52-L54 HydrophobicContact CG2-CG 3.68Å; I52-L54 PolarHBondContact O-N 3.34Å
53P57.7Low60.1Low68 Ų6880 Ų8044%0.44240%0.396SS..  trans-79.931.3-173.634.3-37.4000113.8Y46 E51Y46-P53 VanDerWaalsContact CE1-CD 3.45Å; Y46-P53 HydrophobicContact CE1-CG 4.44Å; Y46-P53 VanDerWaalsContact CZ-CD 3.47Å; Y46-P53 VanDerWaalsContact OH-CD 3.3Å; Y46-P53 WeakPolarHBondContact OH-CD 3.3Å; E51-P53 WeakPolarHBondContact O-CD 3.42Å
54L58.1Low59.6Low33 Ų3375.9 Ų75.917%0.17338%0.38CS..  trans-85.8122.1174.6-68.5175.6000109.9G14 R21 F42 I52 F56G14-L54 WeakPolarHBondContact O-CD1 3.38Å; R21-L54 PolarHBondContact NH1-O 3.39Å; F42-L54 HydrophobicContact CE1-CD1 3.84Å; F42-L54 HydrophobicContact CE1-CG 4.44Å; F42-L54 HydrophobicContact CZ-CD1 4.18Å; I52-L54 HydrophobicContact CG2-CB 4.06Å; I52-L54 HydrophobicContact CG2-CD1 3.74Å; I52-L54 HydrophobicContact CG2-CG 3.68Å; I52-L54 PolarHBondContact O-N 3.34Å; L54-F56 HydrophobicContact CB-CE2 4.25Å; L54-F56 HydrophobicContact CD2-CE2 4.12Å; L54-F56 HydrophobicContact CD2-CZ 3.98Å
55Y52.4Low59.5Low153 Ų15371.5 Ų71.560%0.636%0.363SS*.  trans-135.5122171.7-66-88.1000108.5R21 D22R21-Y55 PolarHBondContact NH1-OH 3.27Å; R21-Y55 PolarHBondContact NH2-OH 2.89Å; R21-Y55 VanDerWaalsContact NH2-OH 3.1Å; D22-Y55 WeakPolarHBondContact OD1-CA 3.2Å; D22-Y55 WeakPolarHBondContact OD1-CD1 3.15Å; D22-Y55 WeakPolarHBondContact OD2-CA 3.42Å
56F55.6Low59.4Low31 Ų3169.5 Ų69.514%0.13635%0.354CS..  trans-122.789.6-177.4-68.6-60.4000110.2L15 D22 L54 L59L15-F56 HydrophobicContact CD2-CE1 3.71Å; L15-F56 HydrophobicContact CD2-CE2 4.05Å; L15-F56 HydrophobicContact CD2-CZ 3.45Å; L15-F56 VanDerWaalsContact CD2-CZ 3.45Å; D22-F56 PolarHBondContact OD2-N 2.8Å; L54-F56 HydrophobicContact CB-CE2 4.25Å; L54-F56 HydrophobicContact CD2-CE2 4.12Å; L54-F56 HydrophobicContact CD2-CZ 3.98Å; F56-L59 HydrophobicContact CB-CD1 4.13Å; F56-L59 HydrophobicContact CD1-CD1 3.78Å; F56-L59 HydrophobicContact CG-CD1 4.17Å
57R48Very low59.1Low201 Ų20168.1 Ų68.176%0.75835%0.349SS*.THydrogen-bonded Turntrans-80.6143.4170.7-64.5-176.4177.8-168.7-2.7110.1L59R57-L59 PolarHBondContact O-N 3.29Å
58E53.3Low59Low186 Ų18664.3 Ų64.387%0.86931%0.314SS*.THydrogen-bonded Turntrans66.220.7172.2-58.1166.7-156.400114.3
59L55.4Low59.1Low22 Ų2266.2 Ų66.212%0.11532%0.32CS..  trans-116.6131.7169.6-56-174.6000110.5F19 F56 R57 I64 W122F19-L59 WeakPolarHBondContact CD2-O 3.33Å; F19-L59 WeakPolarHBondContact CE2-O 3.36Å; F56-L59 HydrophobicContact CB-CD1 4.13Å; F56-L59 HydrophobicContact CD1-CD1 3.78Å; F56-L59 HydrophobicContact CG-CD1 4.17Å; R57-L59 PolarHBondContact O-N 3.29Å; L59-I64 HydrophobicContact CB-CD1 4.41Å; L59-W122 HydrophobicContact CD2-CB 3.33Å; L59-W122 HydrophobicContact CD2-CD2 3.34Å; L59-W122 HydrophobicContact CD2-CE3 3.7Å; L59-W122 HydrophobicContact CD2-CG 3.17Å
60T56.7Low59Low66 Ų6669.5 Ų69.541%0.40534%0.335SS..  trans-94.3161165.172.10000111.2L62 D63 I64T60-L62 PolarHBondContact O-N 3.46Å; T60-L62 PolarHBondContact OG1-N 3.03Å; T60-D63 WeakPolarHBondContact CA-OD2 3.06Å; T60-D63 VanDerWaalsContact CB-OD2 3.28Å; T60-D63 WeakPolarHBondContact CB-OD2 3.18Å; T60-D63 WeakPolarHBondContact CG2-OD2 3.49Å; T60-D63 PolarHBondContact N-OD2 3.3Å; T60-D63 PolarHBondContact O-N 2.91Å; T60-D63 PolarHBondContact OG1-N 3.26Å; T60-D63 PolarHBondContact OG1-OD2 2.87Å; T60-I64 WeakPolarHBondContact O-CD1 3.42Å; T60-I64 WeakPolarHBondContact O-CG1 3.44Å; T60-I64 PolarHBondContact O-N 2.87Å
61L59.6Low59Low43 Ų4367.5 Ų67.523%0.22532%0.323CS..Hα-helixtrans-57.7-33.5168-179.260.2000111.9V16 F19 I64 V65V16-L61 HydrophobicContact CG1-CD1 4.31Å; V16-L61 HydrophobicContact CG2-CD1 3.72Å; F19-L61 HydrophobicContact CD1-CB 3.95Å; F19-L61 HydrophobicContact CE1-CB 3.76Å; F19-L61 HydrophobicContact CG-CB 4.5Å; F19-L61 HydrophobicContact CZ-CB 4.16Å; L61-I64 PolarHBondContact O-N 3.15Å; L61-V65 HydrophobicContact CD1-CG2 4.29Å; L61-V65 WeakPolarHBondContact O-CG2 3.27Å; L61-V65 PolarHBondContact O-N 3.22Å
62L58.2Low59Low93 Ų9363.3 Ų63.349%0.48730%0.304SS..Hα-helixtrans-67-44.2178.3-171.565.9000111.3T60 I64 V65 H66 L538T60-L62 PolarHBondContact O-N 3.46Å; T60-L62 PolarHBondContact OG1-N 3.03Å; L62-I64 VanDerWaalsContact C-N 3.32Å; L62-I64 PolarHBondContact O-N 3.44Å; L62-V65 PolarHBondContact O-N 2.72Å; L62-H66 WeakPolarHBondContact O-CB 3.38Å; L62-H66 PolarHBondContact O-N 3.01Å; L62-L538 HydrophobicContact CD1-CD2 4.15Å
63D61.5Low59Low43 Ų4367 Ų6723%0.2332%0.324CS..Hα-helixtrans-58.4-44.6175.6-59.6-61.9000111.4T60 V65 H66 D67T60-D63 WeakPolarHBondContact CA-OD2 3.06Å; T60-D63 VanDerWaalsContact CB-OD2 3.28Å; T60-D63 WeakPolarHBondContact CB-OD2 3.18Å; T60-D63 WeakPolarHBondContact CG2-OD2 3.49Å; T60-D63 PolarHBondContact N-OD2 3.3Å; T60-D63 PolarHBondContact O-N 2.91Å; T60-D63 PolarHBondContact OG1-N 3.26Å; T60-D63 PolarHBondContact OG1-OD2 2.87Å; D63-V65 PolarHBondContact O-N 2.83Å; D63-H66 PolarHBondContact O-N 2.22Å; D63-D67 WeakPolarHBondContact O-CB 3.4Å; D63-D67 PolarHBondContact O-N 3.43Å
64I62.6Low59.4Low5 Ų566.2 Ų66.23%0.02631%0.314CS..Hα-helixtrans-62.8-42.9-179.7-67.9161.2000111.2I12 L15 F19 L59 T60 L61 L62 Y68I12-I64 HydrophobicContact CG2-CG2 4.04Å; L15-I64 HydrophobicContact CB-CD1 4.05Å; L15-I64 HydrophobicContact CB-CG1 4.37Å; L15-I64 HydrophobicContact CB-CG2 3.89Å; L15-I64 HydrophobicContact CD1-CG1 4.39Å; L15-I64 HydrophobicContact CD1-CG2 3.84Å; F19-I64 HydrophobicContact CB-CD1 4.4Å; L59-I64 HydrophobicContact CB-CD1 4.41Å; T60-I64 WeakPolarHBondContact O-CD1 3.42Å; T60-I64 WeakPolarHBondContact O-CG1 3.44Å; T60-I64 PolarHBondContact O-N 2.87Å; L61-I64 PolarHBondContact O-N 3.15Å; L62-I64 VanDerWaalsContact C-N 3.32Å; L62-I64 PolarHBondContact O-N 3.44Å; I64-Y68 PolarHBondContact O-N 2.96Å
65V60.9Low59.6Low45 Ų4565 Ų6527%0.27331%0.309SS..Hα-helixtrans-75.4-41.3179.3171.90000111.4L61 L62 D63 Y68 I69L61-V65 HydrophobicContact CD1-CG2 4.29Å; L61-V65 WeakPolarHBondContact O-CG2 3.27Å; L61-V65 PolarHBondContact O-N 3.22Å; L62-V65 PolarHBondContact O-N 2.72Å; D63-V65 PolarHBondContact O-N 2.83Å; V65-Y68 PolarHBondContact O-N 2.86Å; V65-I69 HydrophobicContact CG1-CD1 3.79Å; V65-I69 HydrophobicContact CG1-CG1 4.49Å; V65-I69 WeakPolarHBondContact O-CG1 3.2Å; V65-I69 PolarHBondContact O-N 3.07Å
66H59.9Low60.3Low84 Ų8458.9 Ų58.939%0.38929%0.286SS..Hα-helixtrans-59.4-49.1176.6175.2-86000111.4L62 D63 Y68 I69 H70L62-H66 WeakPolarHBondContact O-CB 3.38Å; L62-H66 PolarHBondContact O-N 3.01Å; D63-H66 PolarHBondContact O-N 2.22Å; H66-Y68 VanDerWaalsContact C-N 3.32Å; H66-Y68 PolarHBondContact O-N 3.23Å; H66-I69 PolarHBondContact O-N 2.94Å; H66-H70 WeakPolarHBondContact O-CB 3.44Å; H66-H70 PolarHBondContact O-N 2.94Å
67D60Low60.9Low10 Ų1060.9 Ų60.95%0.05330%0.302CS..Hα-helixtrans-68-31.8179.2-73.5-23.1000112.3D63 H70 I71 P120 V121 W122D63-D67 WeakPolarHBondContact O-CB 3.4Å; D63-D67 PolarHBondContact O-N 3.43Å; D67-H70 PolarHBondContact O-N 3.38Å; D67-I71 WeakPolarHBondContact O-CB 3.19Å; D67-I71 WeakPolarHBondContact O-CD1 3.33Å; D67-I71 WeakPolarHBondContact O-CG1 3.37Å; D67-I71 PolarHBondContact O-N 2.83Å; D67-P120 WeakPolarHBondContact OD2-CA 3.5Å; D67-P120 WeakPolarHBondContact OD2-CB 3.42Å; D67-V121 WeakPolarHBondContact OD1-CG2 3.33Å; D67-V121 PolarHBondContact OD1-N 3.41Å; D67-V121 PolarHBondContact OD2-N 3.25Å; D67-W122 PolarHBondContact OD2-NE1 3.3Å
68Y61Low61.8Low19 Ų1953 Ų538%0.07527%0.274CS..Hα-helixtrans-61.7-50.3169.2178-127.8000111.2L8 P9 I12 I64 V65 H66 H70 I71 V72 L88 G89 L91L8-Y68 HydrophobicContact CD2-CD1 3.7Å; L8-Y68 HydrophobicContact CD2-CE1 3.53Å; P9-Y68 HydrophobicContact CG-CE2 4.03Å; I12-Y68 HydrophobicContact CD1-CD1 4.15Å; I12-Y68 HydrophobicContact CD1-CD2 3.16Å; I12-Y68 HydrophobicContact CD1-CE2 3.69Å; I12-Y68 HydrophobicContact CD1-CG 3.41Å; I12-Y68 VanDerWaalsContact CD1-CG 3.41Å; I64-Y68 PolarHBondContact O-N 2.96Å; V65-Y68 PolarHBondContact O-N 2.86Å; H66-Y68 VanDerWaalsContact C-N 3.32Å; H66-Y68 PolarHBondContact O-N 3.23Å; Y68-H70 VanDerWaalsContact C-N 3.3Å; Y68-H70 PolarHBondContact O-N 3.48Å; Y68-I71 PolarHBondContact O-N 3.2Å; Y68-I71 VanDerWaalsContact O-N 3.15Å; Y68-V72 HydrophobicContact CD1-CG2 4.19Å; Y68-V72 HydrophobicContact CD2-CG2 3.77Å; Y68-V72 HydrophobicContact CE1-CG2 3.99Å; Y68-V72 HydrophobicContact CE2-CG2 3.56Å; Y68-V72 HydrophobicContact CG-CG2 4.1Å; Y68-V72 WeakPolarHBondContact O-CB 3.15Å; Y68-V72 WeakPolarHBondContact O-CG2 3.17Å; Y68-V72 PolarHBondContact O-N 2.94Å; Y68-L88 HydrophobicContact CE1-CD1 3.99Å; Y68-L88 HydrophobicContact CE1-CG 4.39Å; Y68-G89 PolarHBondContact OH-N 3.05Å; Y68-L91 HydrophobicContact CE2-CD1 4.13Å
69I63.4Low62.5Low81 Ų8144.1 Ų44.142%0.41523%0.232SC..Hα-helixtrans-61.2-38.8178.7-67.4167.2000111V65 H66 V72 N73V65-I69 HydrophobicContact CG1-CD1 3.79Å; V65-I69 HydrophobicContact CG1-CG1 4.49Å; V65-I69 WeakPolarHBondContact O-CG1 3.2Å; V65-I69 PolarHBondContact O-N 3.07Å; H66-I69 PolarHBondContact O-N 2.94Å; I69-V72 WeakPolarHBondContact O-CB 3.4Å; I69-V72 PolarHBondContact O-N 2.82Å; I69-N73 VanDerWaalsContact O-CB 3.29Å; I69-N73 WeakPolarHBondContact O-CB 3.42Å; I69-N73 PolarHBondContact O-N 3.43Å; I69-N73 PolarHBondContact O-ND2 3.15Å
70H64.8Low63.2Low77 Ų7749.4 Ų49.436%0.35625%0.254SS..Hα-helixtrans-64.7-41.9174.4-169.9-47.7000112.1H66 D67 Y68 N73 E74H66-H70 WeakPolarHBondContact O-CB 3.44Å; H66-H70 PolarHBondContact O-N 2.94Å; D67-H70 PolarHBondContact O-N 3.38Å; Y68-H70 VanDerWaalsContact C-N 3.3Å; Y68-H70 PolarHBondContact O-N 3.48Å; H70-N73 PolarHBondContact O-N 3.43Å; H70-E74 IonicContact CE1-OE1 3.08Å; H70-E74 PolarHBondContact O-N 2.87Å
71I62.9Low63.9Low60 Ų6055 Ų5531%0.30827%0.273SS..Hα-helixtrans-65.2-44.9175.4-69.6163.6000110.5D67 Y68 N73 E74 V75 I118D67-I71 WeakPolarHBondContact O-CB 3.19Å; D67-I71 WeakPolarHBondContact O-CD1 3.33Å; D67-I71 WeakPolarHBondContact O-CG1 3.37Å; D67-I71 PolarHBondContact O-N 2.83Å; Y68-I71 PolarHBondContact O-N 3.2Å; Y68-I71 VanDerWaalsContact O-N 3.15Å; I71-N73 VanDerWaalsContact C-N 3.32Å; I71-N73 PolarHBondContact O-N 2.95Å; I71-E74 PolarHBondContact O-N 3.41Å; I71-V75 HydrophobicContact CG2-CG2 4.29Å; I71-V75 VanDerWaalsContact O-CB 3.26Å; I71-V75 WeakPolarHBondContact O-CB 3.26Å; I71-V75 WeakPolarHBondContact O-CG2 3.27Å; I71-V75 PolarHBondContact O-N 3.46Å; I71-I118 HydrophobicContact CG1-CD1 4.17Å; I71-I118 HydrophobicContact CG1-CG2 3.82Å
72V61.9Low64.4Low9 Ų954.9 Ų54.96%0.05528%0.279CS..Hα-helixtrans-54.5-49.2174.4172.90000110.1Y68 I69 V75 I76 L88 L91Y68-V72 HydrophobicContact CD1-CG2 4.19Å; Y68-V72 HydrophobicContact CD2-CG2 3.77Å; Y68-V72 HydrophobicContact CE1-CG2 3.99Å; Y68-V72 HydrophobicContact CE2-CG2 3.56Å; Y68-V72 HydrophobicContact CG-CG2 4.1Å; Y68-V72 WeakPolarHBondContact O-CB 3.15Å; Y68-V72 WeakPolarHBondContact O-CG2 3.17Å; Y68-V72 PolarHBondContact O-N 2.94Å; I69-V72 WeakPolarHBondContact O-CB 3.4Å; I69-V72 PolarHBondContact O-N 2.82Å; V72-V75 PolarHBondContact O-N 2.95Å; V72-I76 HydrophobicContact CG1-CD1 3.45Å; V72-I76 VanDerWaalsContact CG1-CD1 3.45Å; V72-I76 HydrophobicContact CG1-CG1 4.15Å; V72-I76 WeakPolarHBondContact O-CB 3.49Å; V72-I76 VanDerWaalsContact O-CG1 3.27Å; V72-I76 WeakPolarHBondContact O-CG1 3.03Å; V72-I76 PolarHBondContact O-N 2.85Å; V72-L88 HydrophobicContact CG1-CD1 3.98Å; V72-L88 HydrophobicContact CG2-CD1 3.95Å; V72-L91 HydrophobicContact CB-CD1 4.14Å; V72-L91 HydrophobicContact CG1-CD1 4.19Å; V72-L91 HydrophobicContact CG2-CD1 3.43Å; V72-L91 VanDerWaalsContact CG2-CD1 3.43Å
73N64.7Low65Low79 Ų7957.7 Ų57.742%0.42229%0.294SS..Hα-helixtrans-72.1-31.7-175.3-72.5-13.1000114.1I69 H70 I71 P77I69-N73 VanDerWaalsContact O-CB 3.29Å; I69-N73 WeakPolarHBondContact O-CB 3.42Å; I69-N73 PolarHBondContact O-N 3.43Å; I69-N73 PolarHBondContact O-ND2 3.15Å; H70-N73 PolarHBondContact O-N 3.43Å; I71-N73 VanDerWaalsContact C-N 3.32Å; I71-N73 PolarHBondContact O-N 2.95Å; N73-P77 WeakPolarHBondContact O-CD 3.14Å
74E66.4Low65.2Low50 Ų5056.7 Ų56.723%0.23429%0.288CS..Hα-helixtrans-73-32.4168.8-87.7-153.1-158.700112.6H70 I71 I118H70-E74 IonicContact CE1-OE1 3.08Å; H70-E74 PolarHBondContact O-N 2.87Å; I71-E74 PolarHBondContact O-N 3.41Å; E74-I118 HydrophobicContact CB-CD1 3.62Å; E74-I118 HydrophobicContact CB-CG1 4.46Å; E74-I118 HydrophobicContact CG-CD1 4.1Å; E74-I118 HydrophobicContact CG-CG1 4.46Å; E74-I118 WeakPolarHBondContact OE2-CG1 3.3Å
75V63.6Low65.1Low8 Ų861.1 Ų61.15%0.04832%0.318CS..Hα-helixtrans-84.2-34.4-174.7171.90000112.9I71 V72 H78 L79 I95 L98 F115I71-V75 HydrophobicContact CG2-CG2 4.29Å; I71-V75 VanDerWaalsContact O-CB 3.26Å; I71-V75 WeakPolarHBondContact O-CB 3.26Å; I71-V75 WeakPolarHBondContact O-CG2 3.27Å; I71-V75 PolarHBondContact O-N 3.46Å; V72-V75 PolarHBondContact O-N 2.95Å; V75-H78 WeakPolarHBondContact O-CA 3.34Å; V75-H78 WeakPolarHBondContact O-CB 3.34Å; V75-H78 PolarHBondContact O-N 2.96Å; V75-L79 HydrophobicContact CG1-CD1 3.57Å; V75-L79 HydrophobicContact CG1-CG 3.83Å; V75-L79 PolarHBondContact O-N 3.16Å; V75-I95 HydrophobicContact CG1-CD1 4.27Å; V75-I95 HydrophobicContact CG1-CG1 3.8Å; V75-I95 HydrophobicContact CG2-CD1 4.46Å; V75-L98 HydrophobicContact CG1-CD2 4.44Å; V75-F115 HydrophobicContact CG2-CE1 4.25Å
76I66.8Low65Low24 Ų2462.6 Ų62.612%0.12332%0.318CS..Hα-helixtrans-54-46.7178.8-78.5169000113.1V72 H78 L79 K80 W86V72-I76 HydrophobicContact CG1-CD1 3.45Å; V72-I76 VanDerWaalsContact CG1-CD1 3.45Å; V72-I76 HydrophobicContact CG1-CG1 4.15Å; V72-I76 WeakPolarHBondContact O-CB 3.49Å; V72-I76 VanDerWaalsContact O-CG1 3.27Å; V72-I76 WeakPolarHBondContact O-CG1 3.03Å; V72-I76 PolarHBondContact O-N 2.85Å; I76-H78 PolarHBondContact O-N 2.88Å; I76-L79 PolarHBondContact O-N 2.79Å; I76-K80 HydrophobicContact CG2-CD 3.88Å; I76-K80 HydrophobicContact CG2-CG 4.22Å; I76-K80 WeakPolarHBondContact O-CB 3.47Å; I76-K80 WeakPolarHBondContact O-CG 3.49Å; I76-K80 PolarHBondContact O-N 3.3Å; I76-W86 HydrophobicContact CB-CZ2 4.47Å; I76-W86 HydrophobicContact CD1-CE3 4.37Å; I76-W86 HydrophobicContact CD1-CH2 3.38Å; I76-W86 HydrophobicContact CD1-CZ2 3.91Å; I76-W86 HydrophobicContact CD1-CZ3 3.63Å; I76-W86 HydrophobicContact CG1-CD2 4.25Å; I76-W86 HydrophobicContact CG1-CE3 4.15Å; I76-W86 HydrophobicContact CG1-CH2 3.73Å; I76-W86 HydrophobicContact CG1-CZ2 3.8Å; I76-W86 HydrophobicContact CG1-CZ3 3.9Å; I76-W86 HydrophobicContact CG2-CH2 4.42Å; I76-W86 HydrophobicContact CG2-CZ2 3.88Å
77P68.2Low64.6Low74 Ų7464.9 Ų64.948%0.48133%0.329SS..Hα-helixtrans-58.1-34.6175.1-26.935.3000113.3N73 K81N73-P77 WeakPolarHBondContact O-CD 3.14Å; P77-K81 VanDerWaalsContact O-CB 3.23Å; P77-K81 WeakPolarHBondContact O-CB 3.31Å; P77-K81 PolarHBondContact O-N 3.28Å
78H67.1Low64.1Low35 Ų3568.3 Ų68.316%0.16235%0.347CS..Hα-helixtrans-73.2-40.7176.7-83-68.3000112.6V75 I76 K81 A82 L98 S114 F115V75-H78 WeakPolarHBondContact O-CA 3.34Å; V75-H78 WeakPolarHBondContact O-CB 3.34Å; V75-H78 PolarHBondContact O-N 2.96Å; I76-H78 PolarHBondContact O-N 2.88Å; H78-K81 PolarHBondContact O-N 3.41Å; H78-A82 WeakPolarHBondContact O-CB 3.33Å; H78-A82 PolarHBondContact O-N 3.31Å; H78-L98 HydrophobicContact CB-CD1 4.36Å; H78-L98 HydrophobicContact CB-CD2 3.88Å; H78-S114 PolarHBondContact CE1-OG 2.91Å; H78-S114 PolarHBondContact NE2-OG 2.61Å; H78-F115 HydrophobicContact CB-CE2 4.29Å; H78-F115 HydrophobicContact CB-CZ 3.94Å; H78-F115 AromaticContact CD2-CE1 3.92Å; H78-F115 AromaticContact CD2-CE2 3.65Å; H78-F115 AromaticContact CD2-CZ 3.45Å; H78-F115 VanDerWaalsContact CD2-CZ 3.45Å; H78-F115 WeakPolarHBondContact CD2-CZ 3.5Å; H78-F115 AromaticContact CE1-CE2 3.96Å; H78-F115 AromaticContact CG-CE2 3.68Å; H78-F115 AromaticContact CG-CZ 3.61Å; H78-F115 AromaticContact ND1-CE2 3.87Å; H78-F115 AromaticContact NE2-CE2 3.85Å
79L67Low63.5Low0 Ų068.3 Ų68.30%035%0.352CS..Hα-helixtrans-66.5-45.8175-66.5171.4000112.1V75 I76 K81 A82 N83 I84 W86 L91 S94 L98V75-L79 HydrophobicContact CG1-CD1 3.57Å; V75-L79 HydrophobicContact CG1-CG 3.83Å; V75-L79 PolarHBondContact O-N 3.16Å; I76-L79 PolarHBondContact O-N 2.79Å; L79-K81 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 3.38Å; L79-A82 CarbonylContact O-C 3.57Å; L79-A82 PolarHBondContact O-N 2.95Å; L79-N83 PolarHBondContact O-N 3.13Å; L79-I84 HydrophobicContact CD2-CB 4.03Å; L79-I84 HydrophobicContact CD2-CD1 4.5Å; L79-I84 HydrophobicContact CD2-CG2 3.82Å; L79-I84 PolarHBondContact O-N 3.15Å; L79-W86 HydrophobicContact CB-CG 4.3Å; L79-W86 HydrophobicContact CD1-CB 3.72Å; L79-W86 HydrophobicContact CD1-CG 3.87Å; L79-L91 HydrophobicContact CD1-CD2 3.65Å; L79-S94 WeakPolarHBondContact CD2-O 3.46Å; L79-L98 HydrophobicContact CD2-CB 3.89Å; L79-L98 HydrophobicContact CD2-CD1 4.38Å; L79-L98 HydrophobicContact CD2-CD2 4.09Å; L79-L98 HydrophobicContact CD2-CG 4.34Å; L79-L98 HydrophobicContact CG-CD2 4.46Å
80K71.2Confident63.1Low132 Ų13268.2 Ų68.257%0.57435%0.353SS*.Hα-helixtrans-56.6-43.6172.2-74.4-179.1176-179.50111.3I76 N83I76-K80 HydrophobicContact CG2-CD 3.88Å; I76-K80 HydrophobicContact CG2-CG 4.22Å; I76-K80 WeakPolarHBondContact O-CB 3.47Å; I76-K80 WeakPolarHBondContact O-CG 3.49Å; I76-K80 PolarHBondContact O-N 3.3Å; K80-N83 PolarHBondContact O-N 2.93Å
81K71.5Confident62.7Low184 Ų18464.9 Ų64.980%0.834%0.338SS*.Hα-helixtrans-69.4-30.7178.3-177.1170.8-179.8175.30113.8P77 H78 L79 N83P77-K81 VanDerWaalsContact O-CB 3.23Å; P77-K81 WeakPolarHBondContact O-CB 3.31Å; P77-K81 PolarHBondContact O-N 3.28Å; H78-K81 PolarHBondContact O-N 3.41Å; L79-K81 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 3.38Å; K81-N83 VanDerWaalsContact C-N 3.29Å
82A69.7Low62.2Low41 Ų4165.8 Ų65.834%0.33934%0.343SS..Hα-helixtrans-83.7-3.4175.200000113.3H78 L79 I84 L98H78-A82 WeakPolarHBondContact O-CB 3.33Å; H78-A82 PolarHBondContact O-N 3.31Å; L79-A82 CarbonylContact O-C 3.57Å; L79-A82 PolarHBondContact O-N 2.95Å; A82-I84 HydrophobicContact CB-CB 4.43Å; A82-I84 HydrophobicContact CB-CD1 3.59Å; A82-I84 HydrophobicContact CB-CG1 3.72Å; A82-I84 PolarHBondContact O-N 3.09Å; A82-L98 HydrophobicContact CB-CD1 3.76Å
83N70Confident61.9Low152 Ų15267.1 Ų67.181%0.81336%0.355SS*.THydrogen-bonded Turntrans54.332.2-171.1-158.135.8000113.5L79 K80 K81L79-N83 PolarHBondContact O-N 3.13Å; K80-N83 PolarHBondContact O-N 2.93Å; K81-N83 VanDerWaalsContact C-N 3.29Å
84I66.4Low61.6Low21 Ų2163.6 Ų63.611%0.10834%0.337CS..  trans-89.2127.5-178.5-68.6174.1000109.1L79 A82 Q97 L98L79-I84 HydrophobicContact CD2-CB 4.03Å; L79-I84 HydrophobicContact CD2-CD1 4.5Å; L79-I84 HydrophobicContact CD2-CG2 3.82Å; L79-I84 PolarHBondContact O-N 3.15Å; A82-I84 HydrophobicContact CB-CB 4.43Å; A82-I84 HydrophobicContact CB-CD1 3.59Å; A82-I84 HydrophobicContact CB-CG1 3.72Å; A82-I84 PolarHBondContact O-N 3.09Å; I84-Q97 HydrophobicContact CD1-CB 4.24Å; I84-Q97 HydrophobicContact CG2-CB 4.05Å; I84-L98 VanDerWaalsContact CD1-CA 3.49Å; I84-L98 HydrophobicContact CD1-CB 4.02Å; I84-L98 HydrophobicContact CD1-CD1 4.07Å
85P59.8Low61.2Low99 Ų9963.1 Ų63.164%0.64334%0.335SS*.  trans-66.5140.5175.728.8-34.6000110.9S94P85-S94 PolarHBondContact O-OG 2.71Å
86W59.8Low60.9Low75 Ų7565.1 Ų65.128%0.28435%0.348SS..  trans-145.4151.6-178.163.6-88.2000112.1I76 L79 L91 S94I76-W86 HydrophobicContact CB-CZ2 4.47Å; I76-W86 HydrophobicContact CD1-CE3 4.37Å; I76-W86 HydrophobicContact CD1-CH2 3.38Å; I76-W86 HydrophobicContact CD1-CZ2 3.91Å; I76-W86 HydrophobicContact CD1-CZ3 3.63Å; I76-W86 HydrophobicContact CG1-CD2 4.25Å; I76-W86 HydrophobicContact CG1-CE3 4.15Å; I76-W86 HydrophobicContact CG1-CH2 3.73Å; I76-W86 HydrophobicContact CG1-CZ2 3.8Å; I76-W86 HydrophobicContact CG1-CZ3 3.9Å; I76-W86 HydrophobicContact CG2-CH2 4.42Å; I76-W86 HydrophobicContact CG2-CZ2 3.88Å; L79-W86 HydrophobicContact CB-CG 4.3Å; L79-W86 HydrophobicContact CD1-CB 3.72Å; L79-W86 HydrophobicContact CD1-CG 3.87Å; W86-L91 HydrophobicContact CB-CD2 4.3Å; W86-L91 HydrophobicContact CE3-CD2 4.41Å; W86-S94 WeakPolarHBondContact CA-OG 3.46Å; W86-S94 WeakPolarHBondContact CB-OG 3.42Å
87Q50.4Low60.4Low132 Ų13268.2 Ų68.262%0.61736%0.362SS*.  trans-137.7140.6177.6-68.9175.6-3500108.1G89 N90 L91Q87-G89 PolarHBondContact O-N 3.25Å; Q87-N90 HydrophobicContact CB-CB 4.22Å; Q87-N90 PolarHBondContact O-N 3.05Å; Q87-L91 PolarHBondContact O-N 2.75Å
88L50.2Low60.2Low83 Ų8364.9 Ų64.944%0.43534%0.34SS..THydrogen-bonded Turntrans-60.4134.6169.6-157.468.1000108.2Y68 V72 N90 L91Y68-L88 HydrophobicContact CE1-CD1 3.99Å; Y68-L88 HydrophobicContact CE1-CG 4.39Å; V72-L88 HydrophobicContact CG1-CD1 3.98Å; V72-L88 HydrophobicContact CG2-CD1 3.95Å; L88-N90 PolarHBondContact O-N 2.85Å; L88-L91 HydrophobicContact CD1-CD1 4.38Å
89G48.2Very low59.9Low18 Ų1866.3 Ų66.319%0.18635%0.348CS..THydrogen-bonded Turntrans88.6-26.4-16800000116.2L7 Y68 Q87L7-G89 WeakPolarHBondContact O-CA 3.12Å; L7-G89 PolarHBondContact O-N 3.25Å; Y68-G89 PolarHBondContact OH-N 3.05Å; Q87-G89 PolarHBondContact O-N 3.25Å
90N54Low59.5Low80 Ų8070.8 Ų70.843%0.42837%0.369SS..  trans-11018.7177.9-159.710.9000113.7Q87 L88 N92 A93 S94Q87-N90 HydrophobicContact CB-CB 4.22Å; Q87-N90 PolarHBondContact O-N 3.05Å; L88-N90 PolarHBondContact O-N 2.85Å; N90-N92 PolarHBondContact O-N 3.1Å; N90-N92 VanDerWaalsContact O-N 3.17Å; N90-A93 PolarHBondContact O-N 3.25Å; N90-A93 VanDerWaalsContact O-N 3.16Å; N90-A93 VanDerWaalsContact OD1-CB 3.26Å; N90-A93 WeakPolarHBondContact OD1-CB 3.34Å; N90-S94 PolarHBondContact O-N 3.13Å
91L58Low58.7Low6 Ų666.2 Ų66.23%0.03135%0.354CS..Hα-helixtrans-61.6-23.6-178.3-79.1170.5000113.8Y68 V72 L79 W86 Q87 L88 A93 S94 I95Y68-L91 HydrophobicContact CE2-CD1 4.13Å; V72-L91 HydrophobicContact CB-CD1 4.14Å; V72-L91 HydrophobicContact CG1-CD1 4.19Å; V72-L91 HydrophobicContact CG2-CD1 3.43Å; V72-L91 VanDerWaalsContact CG2-CD1 3.43Å; L79-L91 HydrophobicContact CD1-CD2 3.65Å; W86-L91 HydrophobicContact CB-CD2 4.3Å; W86-L91 HydrophobicContact CE3-CD2 4.41Å; Q87-L91 PolarHBondContact O-N 2.75Å; L88-L91 HydrophobicContact CD1-CD1 4.38Å; L91-A93 PolarHBondContact O-N 3.11Å; L91-S94 PolarHBondContact O-N 3.29Å; L91-I95 HydrophobicContact CB-CD1 4.34Å; L91-I95 VanDerWaalsContact O-CB 3.23Å; L91-I95 WeakPolarHBondContact O-CB 3.35Å; L91-I95 WeakPolarHBondContact O-CD1 3.47Å; L91-I95 WeakPolarHBondContact O-CG1 3.3Å; L91-I95 PolarHBondContact O-N 3.26Å
92N52Low57.9Low79 Ų7959.9 Ų59.942%0.42233%0.326SS..Hα-helixtrans-63.4-41.1175.7-167.6-13.7000111.3E11 N90 T96E11-N92 PolarHBondContact OE1-ND2 3.4Å; N90-N92 PolarHBondContact O-N 3.1Å; N90-N92 VanDerWaalsContact O-N 3.17Å; N92-T96 WeakPolarHBondContact O-CB 3.48Å; N92-T96 PolarHBondContact O-N 3.24Å; N92-T96 PolarHBondContact O-OG1 3Å
93A54.5Low56.7Low38 Ų3862.7 Ų62.731%0.31434%0.343SS..Hα-helixtrans-65.9-46.5173.600000111.9N90 L91 I95 T96 Q97N90-A93 PolarHBondContact O-N 3.25Å; N90-A93 VanDerWaalsContact O-N 3.16Å; N90-A93 VanDerWaalsContact OD1-CB 3.26Å; N90-A93 WeakPolarHBondContact OD1-CB 3.34Å; L91-A93 PolarHBondContact O-N 3.11Å; A93-I95 PolarHBondContact O-N 3.02Å; A93-T96 WeakPolarHBondContact O-CB 3.48Å; A93-T96 PolarHBondContact O-N 3.19Å; A93-Q97 WeakPolarHBondContact O-CG 3.23Å; A93-Q97 PolarHBondContact O-N 3.26Å
94S58.3Low55.5Low4 Ų463.7 Ų63.73%0.02834%0.343CS..Hα-helixtrans-65.7-36178.7-56.20000112.8L79 P85 W86 N90 L91 Q97 L98L79-S94 WeakPolarHBondContact CD2-O 3.46Å; P85-S94 PolarHBondContact O-OG 2.71Å; W86-S94 WeakPolarHBondContact CA-OG 3.46Å; W86-S94 WeakPolarHBondContact CB-OG 3.42Å; N90-S94 PolarHBondContact O-N 3.13Å; L91-S94 PolarHBondContact O-N 3.29Å; S94-Q97 PolarHBondContact O-N 3.35Å; S94-L98 VanDerWaalsContact O-CB 3.27Å; S94-L98 WeakPolarHBondContact O-CB 3.27Å; S94-L98 PolarHBondContact O-N 3.24Å
95I59.3Low54.1Low41 Ų4167.3 Ų67.321%0.2137%0.366CS..Hα-helixtrans-67.1-39.4172.5-72.2165000110.5V75 L91 A93 L98 L99V75-I95 HydrophobicContact CG1-CD1 4.27Å; V75-I95 HydrophobicContact CG1-CG1 3.8Å; V75-I95 HydrophobicContact CG2-CD1 4.46Å; L91-I95 HydrophobicContact CB-CD1 4.34Å; L91-I95 VanDerWaalsContact O-CB 3.23Å; L91-I95 WeakPolarHBondContact O-CB 3.35Å; L91-I95 WeakPolarHBondContact O-CD1 3.47Å; L91-I95 WeakPolarHBondContact O-CG1 3.3Å; L91-I95 PolarHBondContact O-N 3.26Å; A93-I95 PolarHBondContact O-N 3.02Å; I95-L98 WeakPolarHBondContact O-CB 3.39Å; I95-L98 PolarHBondContact O-N 2.97Å; I95-L99 HydrophobicContact CG2-CD1 4.04Å; I95-L99 HydrophobicContact CG2-CG 4.44Å; I95-L99 WeakPolarHBondContact O-CB 3.41Å; I95-L99 VanDerWaalsContact O-CG 3.3Å; I95-L99 WeakPolarHBondContact O-CG 3.43Å; I95-L99 PolarHBondContact O-N 2.94Å
96T56.9Low52.7Low50 Ų5064.5 Ų64.531%0.30735%0.348SS..Hα-helixtrans-63.1-45.2174.6-61.80000111.1N92 A93 L98 L99 Q100N92-T96 WeakPolarHBondContact O-CB 3.48Å; N92-T96 PolarHBondContact O-N 3.24Å; N92-T96 PolarHBondContact O-OG1 3Å; A93-T96 WeakPolarHBondContact O-CB 3.48Å; A93-T96 PolarHBondContact O-N 3.19Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 3.07Å; T96-L99 PolarHBondContact O-N 2.9Å; T96-Q100 WeakPolarHBondContact O-CB 3.15Å; T96-Q100 VanDerWaalsContact O-CG 3.31Å; T96-Q100 WeakPolarHBondContact O-CG 3.4Å; T96-Q100 PolarHBondContact O-N 2.96Å
97Q56.9Low51.4Low88 Ų8865.8 Ų65.841%0.41137%0.369SS..Hα-helixtrans-62.4-38.1173.2-72.1175.6-10.100112.1I84 A93 S94 Q100 S101I84-Q97 HydrophobicContact CD1-CB 4.24Å; I84-Q97 HydrophobicContact CG2-CB 4.05Å; A93-Q97 WeakPolarHBondContact O-CG 3.23Å; A93-Q97 PolarHBondContact O-N 3.26Å; S94-Q97 PolarHBondContact O-N 3.35Å; Q97-Q100 PolarHBondContact O-N 2.98Å; Q97-S101 WeakPolarHBondContact O-CB 3.33Å; Q97-S101 PolarHBondContact O-N 3.29Å
98L63Low50.6Low4 Ų462.1 Ų62.12%0.02136%0.358CS..Hα-helixtrans-64.5-45.2175.8-176.767.1000111.3V75 H78 L79 A82 I84 S94 I95 T96 Q100 S101 F102 F115V75-L98 HydrophobicContact CG1-CD2 4.44Å; H78-L98 HydrophobicContact CB-CD1 4.36Å; H78-L98 HydrophobicContact CB-CD2 3.88Å; L79-L98 HydrophobicContact CD2-CB 3.89Å; L79-L98 HydrophobicContact CD2-CD1 4.38Å; L79-L98 HydrophobicContact CD2-CD2 4.09Å; L79-L98 HydrophobicContact CD2-CG 4.34Å; L79-L98 HydrophobicContact CG-CD2 4.46Å; A82-L98 HydrophobicContact CB-CD1 3.76Å; I84-L98 VanDerWaalsContact CD1-CA 3.49Å; I84-L98 HydrophobicContact CD1-CB 4.02Å; I84-L98 HydrophobicContact CD1-CD1 4.07Å; S94-L98 VanDerWaalsContact O-CB 3.27Å; S94-L98 WeakPolarHBondContact O-CB 3.27Å; S94-L98 PolarHBondContact O-N 3.24Å; I95-L98 WeakPolarHBondContact O-CB 3.39Å; I95-L98 PolarHBondContact O-N 2.97Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 3.07Å; L98-Q100 VanDerWaalsContact C-N 3.35Å; L98-Q100 PolarHBondContact O-N 3.31Å; L98-S101 PolarHBondContact O-N 2.82Å; L98-S101 PolarHBondContact O-OG 3.41Å; L98-F102 HydrophobicContact CD1-CE2 3.91Å; L98-F102 HydrophobicContact CD1-CZ 3.98Å; L98-F102 HydrophobicContact CD2-CE2 4.21Å; L98-F102 HydrophobicContact CG-CD2 4.27Å; L98-F102 HydrophobicContact CG-CE2 3.65Å; L98-F102 HydrophobicContact CG-CZ 4.22Å; L98-F102 WeakPolarHBondContact O-CD2 3.44Å; L98-F102 PolarHBondContact O-N 3.49Å; L98-F115 HydrophobicContact CD2-CE2 4.46Å; L98-F115 HydrophobicContact CD2-CZ 4.03Å
99L61.4Low49.9Very low65 Ų6564 Ų6434%0.3437%0.369SS..Hα-helixtrans-63.9-37.5174.6-69.8170.4000112.2I95 T96 F102 S103I95-L99 HydrophobicContact CG2-CD1 4.04Å; I95-L99 HydrophobicContact CG2-CG 4.44Å; I95-L99 WeakPolarHBondContact O-CB 3.41Å; I95-L99 VanDerWaalsContact O-CG 3.3Å; I95-L99 WeakPolarHBondContact O-CG 3.43Å; I95-L99 PolarHBondContact O-N 2.94Å; T96-L99 PolarHBondContact O-N 2.9Å; L99-F102 PolarHBondContact O-N 3.35Å; L99-S103 PolarHBondContact O-N 3.26Å
100Q58.7Low49.1Very low95 Ų9569.4 Ų69.444%0.44439%0.392SS..Hα-helixtrans-64.5-45.7171.9-74168.5-26.100111.7T96 Q97 L98 F102 S103 E104T96-Q100 WeakPolarHBondContact O-CB 3.15Å; T96-Q100 VanDerWaalsContact O-CG 3.31Å; T96-Q100 WeakPolarHBondContact O-CG 3.4Å; T96-Q100 PolarHBondContact O-N 2.96Å; Q97-Q100 PolarHBondContact O-N 2.98Å; L98-Q100 VanDerWaalsContact C-N 3.35Å; L98-Q100 PolarHBondContact O-N 3.31Å; Q100-F102 VanDerWaalsContact C-N 3.26Å; Q100-F102 PolarHBondContact O-N 2.89Å; Q100-S103 CarbonylContact O-C 3.52Å; Q100-S103 WeakPolarHBondContact O-CA 3.4Å; Q100-S103 WeakPolarHBondContact O-CB 3.28Å; Q100-S103 PolarHBondContact O-N 3.32Å; Q100-E104 PolarHBondContact O-N 3.46Å
101S54.1Low48.1Very low35 Ų3575.5 Ų75.525%0.24541%0.409CS..Hα-helixtrans-61.3-34177.4780000112.7Q97 L98 T105Q97-S101 WeakPolarHBondContact O-CB 3.33Å; Q97-S101 PolarHBondContact O-N 3.29Å; L98-S101 PolarHBondContact O-N 2.82Å; L98-S101 PolarHBondContact O-OG 3.41Å; S101-T105 WeakPolarHBondContact O-CG2 3.47Å; S101-T105 PolarHBondContact O-N 2.84Å; S101-T105 PolarHBondContact O-OG1 2.94Å
102F53.5Low47Very low52 Ų5277.6 Ų77.623%0.22842%0.423CS..Hα-helixtrans-68.8-41.5168.7-67.4-48.8000111.7L98 L99 Q100 E104 T105 C106 F115L98-F102 HydrophobicContact CD1-CE2 3.91Å; L98-F102 HydrophobicContact CD1-CZ 3.98Å; L98-F102 HydrophobicContact CD2-CE2 4.21Å; L98-F102 HydrophobicContact CG-CD2 4.27Å; L98-F102 HydrophobicContact CG-CE2 3.65Å; L98-F102 HydrophobicContact CG-CZ 4.22Å; L98-F102 WeakPolarHBondContact O-CD2 3.44Å; L98-F102 PolarHBondContact O-N 3.49Å; L99-F102 PolarHBondContact O-N 3.35Å; Q100-F102 VanDerWaalsContact C-N 3.26Å; Q100-F102 PolarHBondContact O-N 2.89Å; F102-E104 VanDerWaalsContact C-N 3.28Å; F102-E104 PolarHBondContact O-N 2.73Å; F102-T105 PolarHBondContact O-N 2.87Å; F102-C106 WeakPolarHBondContact O-CB 3.46Å; F102-C106 PolarHBondContact O-N 2.89Å; F102-C106 PolarHBondContact O-SG 2.84Å; F102-F115 AromaticContact CE2-CE2 3.82Å; F102-F115 HydrophobicContact CE2-CE2 3.82Å; F102-F115 HydrophobicContact CZ-CE2 4.03Å
103S45.9Very low46.5Very low99 Ų9984.1 Ų84.169%0.69245%0.448SS*.Hα-helixtrans-62.7-30.9179.5-165.80000113.8L99 Q100L99-S103 PolarHBondContact O-N 3.26Å; Q100-S103 CarbonylContact O-C 3.52Å; Q100-S103 WeakPolarHBondContact O-CA 3.4Å; Q100-S103 WeakPolarHBondContact O-CB 3.28Å; Q100-S103 PolarHBondContact O-N 3.32Å
104E43.5Very low45.8Very low173 Ų17385.4 Ų85.481%0.80845%0.454SS*.Hα-helixtrans-86.4-28.8179.5-67.5-179.2166.200113.1Q100 F102Q100-E104 PolarHBondContact O-N 3.46Å; F102-E104 VanDerWaalsContact C-N 3.28Å; F102-E104 PolarHBondContact O-N 2.73Å
105T37.6Very low45.1Very low98 Ų9888.5 Ų88.560%0.60147%0.468SS*.Hα-helixtrans-96.5-20.2-179.257.20000114.4S101 F102 S107S101-T105 WeakPolarHBondContact O-CG2 3.47Å; S101-T105 PolarHBondContact O-N 2.84Å; S101-T105 PolarHBondContact O-OG1 2.94Å; F102-T105 PolarHBondContact O-N 2.87Å; T105-S107 PolarHBondContact O-N 2.78Å
106C30.5Very low44.2Very low39 Ų3995.9 Ų95.926%0.26449%0.493SS..  trans-8379.8-175.2-69.40000113.4F102 S108F102-C106 WeakPolarHBondContact O-CB 3.46Å; F102-C106 PolarHBondContact O-N 2.89Å; F102-C106 PolarHBondContact O-SG 2.84Å; C106-S108 PolarHBondContact O-N 3.47Å
107S32.5Very low43.4Very low103 Ų10399.4 Ų99.472%0.7252%0.516SS*.  trans-62.885.5157-75.50000111.1T105 N109T105-S107 PolarHBondContact O-N 2.78Å; S107-N109 PolarHBondContact O-N 3.5Å
108S34.4Very low42.8Very low54 Ų5497.5 Ų97.538%0.37851%0.509SS..SBendtrans53.8-22.2163.961.50000121.5C106 Y852C106-S108 PolarHBondContact O-N 3.47Å; S108-Y852 WeakPolarHBondContact O-CE2 3.41Å
109N34Very low41.8Very low124 Ų124100.7 Ų100.766%0.66352%0.523SS*.SBendtrans-125.1-9-170.1-72.7-71.2000115.5S107 R111S107-N109 PolarHBondContact O-N 3.5Å; N109-R111 VanDerWaalsContact C-N 3.34Å; N109-R111 PolarHBondContact O-N 3.37Å
110L32.5Very low41.1Very low130 Ų13098.7 Ų98.768%0.68151%0.514SS*.  trans-91.555-179.9-73.1170.3000113.1P112L110-P112 WeakPolarHBondContact O-CD 3.36Å
111R33.5Very low40.4Very low209 Ų20998.6 Ų98.679%0.78952%0.52SS*.  trans-58.3122.4167.2-172.4179.1-172.2170.14.7108.5N109 K113N109-R111 VanDerWaalsContact C-N 3.34Å; N109-R111 PolarHBondContact O-N 3.37Å; R111-K113 PolarHBondContact O-N 2.9Å
112P35.2Very low39.8Very low49 Ų49101 Ų10132%0.31852%0.523SS..  trans-62.8111.3-17522.8-32.7000110.3L110 S114 F115L110-P112 WeakPolarHBondContact O-CD 3.36Å; P112-S114 PolarHBondContact O-N 3.01Å; P112-S114 VanDerWaalsContact O-N 3.11Å; P112-F115 HydrophobicContact CB-CD2 4.19Å; P112-F115 HydrophobicContact CG-CD2 4.14Å
113K39.7Very low39.2Very low217 Ų217100.8 Ų100.894%0.94352%0.524SS*.THydrogen-bonded Turntrans-69.7-4.8-172-70.3-175.3176.4178.90114.7R111R111-K113 PolarHBondContact O-N 2.9Å
114S39.8Very low38.8Very low64 Ų6499.9 Ų99.945%0.44852%0.516SS..THydrogen-bonded Turntrans-110.7-19.9-171.554.30000115.2H78 P112 R116H78-S114 PolarHBondContact CE1-OG 2.91Å; H78-S114 PolarHBondContact NE2-OG 2.61Å; P112-S114 PolarHBondContact O-N 3.01Å; P112-S114 VanDerWaalsContact O-N 3.11Å; S114-R116 VanDerWaalsContact C-N 3.31Å; S114-R116 PolarHBondContact O-N 2.81Å
115F43.8Very low38.6Very low70 Ų7099.2 Ų99.231%0.30752%0.517SS..  trans-69.193.5171.1-86.5-67.1000108.9V75 H78 L98 F102 P112V75-F115 HydrophobicContact CG2-CE1 4.25Å; H78-F115 HydrophobicContact CB-CE2 4.29Å; H78-F115 HydrophobicContact CB-CZ 3.94Å; H78-F115 AromaticContact CD2-CE1 3.92Å; H78-F115 AromaticContact CD2-CE2 3.65Å; H78-F115 AromaticContact CD2-CZ 3.45Å; H78-F115 VanDerWaalsContact CD2-CZ 3.45Å; H78-F115 WeakPolarHBondContact CD2-CZ 3.5Å; H78-F115 AromaticContact CE1-CE2 3.96Å; H78-F115 AromaticContact CG-CE2 3.68Å; H78-F115 AromaticContact CG-CZ 3.61Å; H78-F115 AromaticContact ND1-CE2 3.87Å; H78-F115 AromaticContact NE2-CE2 3.85Å; L98-F115 HydrophobicContact CD2-CE2 4.46Å; L98-F115 HydrophobicContact CD2-CZ 4.03Å; F102-F115 AromaticContact CE2-CE2 3.82Å; F102-F115 HydrophobicContact CE2-CE2 3.82Å; F102-F115 HydrophobicContact CZ-CE2 4.03Å; P112-F115 HydrophobicContact CB-CD2 4.19Å; P112-F115 HydrophobicContact CG-CD2 4.14Å
116R40.1Very low38.5Very low196 Ų19697 Ų9774%0.7451%0.513SS*.  trans-62.9152.3161.5-68.6-174.2174.1-145.50107.5S114 I118S114-R116 VanDerWaalsContact C-N 3.31Å; S114-R116 PolarHBondContact O-N 2.81Å; R116-I118 VanDerWaalsContact C-N 3.31Å; R116-I118 PolarHBondContact O-N 3.26Å
117P40.5Very low38.7Very low123 Ų123105 Ų10580%0.79954%0.543SS*.  trans-64.399.8163.7-14.229.4000107H119P117-H119 PolarHBondContact O-N 3.46Å
118I45.6Very low38.7Very low49 Ų49105.4 Ų105.425%0.25155%0.546SS..  trans-61112170.6-52177.8000105.4I71 E74 R116I71-I118 HydrophobicContact CG1-CD1 4.17Å; I71-I118 HydrophobicContact CG1-CG2 3.82Å; E74-I118 HydrophobicContact CB-CD1 3.62Å; E74-I118 HydrophobicContact CB-CG1 4.46Å; E74-I118 HydrophobicContact CG-CD1 4.1Å; E74-I118 HydrophobicContact CG-CG1 4.46Å; E74-I118 WeakPolarHBondContact OE2-CG1 3.3Å; R116-I118 VanDerWaalsContact C-N 3.31Å; R116-I118 PolarHBondContact O-N 3.26Å
119H41.6Very low38.6Very low71 Ų71107.4 Ų107.433%0.32955%0.546SS..  trans-106.5109.4-174.8-166.4-95.6000106.1P117 V121 M123 L125P117-H119 PolarHBondContact O-N 3.46Å; H119-V121 PolarHBondContact O-N 3.49Å; H119-M123 PolarHBondContact NE2-O 3.44Å; H119-L125 WeakPolarHBondContact NE2-CA 3.15Å; H119-L125 WeakPolarHBondContact NE2-CD2 3.24Å; H119-L125 WeakPolarHBondContact NE2-CG 3.32Å; H119-L125 PolarHBondContact NE2-N 2.99Å
120P46Very low38.5Very low23 Ų23107 Ų10715%0.14955%0.548CS..  trans-50.9139178.2-24.332.9000109.9D67 W122 M123D67-P120 WeakPolarHBondContact OD2-CA 3.5Å; D67-P120 WeakPolarHBondContact OD2-CB 3.42Å; P120-W122 HydrophobicContact CB-CD2 3.93Å; P120-W122 HydrophobicContact CB-CG 4.31Å; P120-W122 HydrophobicContact CB-CH2 4.3Å; P120-W122 HydrophobicContact CB-CZ2 3.55Å; P120-W122 HydrophobicContact CG-CH2 4.4Å; P120-W122 HydrophobicContact CG-CZ2 3.9Å; P120-W122 PolarHBondContact O-N 3.49Å; P120-W122 VanDerWaalsContact O-N 3.15Å; P120-M123 HydrophobicContact CB-CB 4.12Å; P120-M123 HydrophobicContact CG-CB 4.35Å; P120-M123 VanDerWaalsContact O-CB 3.27Å; P120-M123 WeakPolarHBondContact O-CB 3.43Å; P120-M123 PolarHBondContact O-N 3.21Å
121V44Very low38.5Very low92 Ų92104.1 Ų104.156%0.55854%0.537SS*.THydrogen-bonded Turntrans-59.8-34-169.3173.60000111.5D67 H119D67-V121 WeakPolarHBondContact OD1-CG2 3.33Å; D67-V121 PolarHBondContact OD1-N 3.41Å; D67-V121 PolarHBondContact OD2-N 3.25Å; H119-V121 PolarHBondContact O-N 3.49Å
122W41Very low38.4Very low85 Ų8599 Ų9932%0.32253%0.53SS..THydrogen-bonded Turntrans-76.8-15.7175.152.6-93.2000115.1L59 D67 P120 P124L59-W122 HydrophobicContact CD2-CB 3.33Å; L59-W122 HydrophobicContact CD2-CD2 3.34Å; L59-W122 HydrophobicContact CD2-CE3 3.7Å; L59-W122 HydrophobicContact CD2-CG 3.17Å; D67-W122 PolarHBondContact OD2-NE1 3.3Å; P120-W122 HydrophobicContact CB-CD2 3.93Å; P120-W122 HydrophobicContact CB-CG 4.31Å; P120-W122 HydrophobicContact CB-CH2 4.3Å; P120-W122 HydrophobicContact CB-CZ2 3.55Å; P120-W122 HydrophobicContact CG-CH2 4.4Å; P120-W122 HydrophobicContact CG-CZ2 3.9Å; P120-W122 PolarHBondContact O-N 3.49Å; P120-W122 VanDerWaalsContact O-N 3.15Å; W122-P124 WeakPolarHBondContact O-CD 3.14Å
123M42Very low38.1Very low48 Ų48105 Ų10524%0.23655%0.552CS.*SBendtrans-68130.5-177.1-175.6171.3168.300109.5H119 P120 L125 Y129H119-M123 PolarHBondContact NE2-O 3.44Å; P120-M123 HydrophobicContact CB-CB 4.12Å; P120-M123 HydrophobicContact CG-CB 4.35Å; P120-M123 VanDerWaalsContact O-CB 3.27Å; P120-M123 WeakPolarHBondContact O-CB 3.43Å; P120-M123 PolarHBondContact O-N 3.21Å; M123-L125 PolarHBondContact O-N 3.44Å; M123-Y129 HydrophobicContact CE-CD1 3.96Å; M123-Y129 HydrophobicContact CE-CD2 4.12Å; M123-Y129 HydrophobicContact CE-CE1 4.39Å; M123-Y129 HydrophobicContact CE-CG 3.8Å; M123-Y129 HydrophobicContact CG-CD2 4.32Å
124P37.9Very low37.6Very low81 Ų81101.9 Ų101.953%0.52654%0.544SS..  trans-71.1120179.3-22.934.9000112.2W122 G126W122-P124 WeakPolarHBondContact O-CD 3.14Å; P124-G126 PolarHBondContact O-N 3.02Å
125L39.2Very low37Very low159 Ų159104.9 Ų104.983%0.83255%0.553SS**SBendtrans-61.187174.2-74.3167.5000111.9H119 M123H119-L125 WeakPolarHBondContact NE2-CA 3.15Å; H119-L125 WeakPolarHBondContact NE2-CD2 3.24Å; H119-L125 WeakPolarHBondContact NE2-CG 3.32Å; H119-L125 PolarHBondContact NE2-N 2.99Å; M123-L125 PolarHBondContact O-N 3.44Å
126G35.4Very low36.2Very low50 Ų50105.8 Ų105.852%0.51557%0.567SS.*SBendtrans168.6169.8175.900000116.1P124 S128P124-G126 PolarHBondContact O-N 3.02Å; G126-S128 PolarHBondContact O-N 3.31Å
127K34.2Very low35.6Very low207 Ų207100.6 Ų100.690%0.957%0.565SS**THydrogen-bonded Turntrans-71.420.2-177.9-58.9179.5-179.4175.20114.6
128S32.3Very low35Very low112 Ų11299.4 Ų99.478%0.78355%0.552SS**THydrogen-bonded Turntrans-111.80.9-173.4-61.90000113.8G126 V130G126-S128 PolarHBondContact O-N 3.31Å; S128-V130 PolarHBondContact O-N 3.29Å
129Y32Very low34.5Very low96 Ų96104.9 Ų104.938%0.37657%0.574SS.*  trans-63.4123174.8-177.2-108.5000111.2M123 P131M123-Y129 HydrophobicContact CE-CD1 3.96Å; M123-Y129 HydrophobicContact CE-CD2 4.12Å; M123-Y129 HydrophobicContact CE-CE1 4.39Å; M123-Y129 HydrophobicContact CE-CG 3.8Å; M123-Y129 HydrophobicContact CG-CD2 4.32Å; Y129-P131 HydrophobicContact CE1-CB 3.73Å; Y129-P131 HydrophobicContact CE1-CG 4.35Å
130V32.3Very low33.8Very low116 Ų116108.1 Ų108.170%0.70360%0.604SS**  trans-113.5114.7165.4178.90000105.6S128S128-V130 PolarHBondContact O-N 3.29Å
131P31.9Very low32.9Very low69 Ų69111.3 Ų111.345%0.44862%0.623SS.*PPolyproline II helixtrans-61.4146.8179.823.5-32.5000111Y129 K133Y129-P131 HydrophobicContact CE1-CB 3.73Å; Y129-P131 HydrophobicContact CE1-CG 4.35Å; P131-K133 PolarHBondContact O-N 3.33Å; P131-K133 VanDerWaalsContact O-N 3.07Å
132P31.5Very low32Very low101 Ų101114.2 Ų114.266%0.65664%0.641SS**PPolyproline II helixtrans-52.8116.9172.1-25.434.5000110.3
133K29.2Very low31.3Very low176 Ų176115.7 Ų115.777%0.76566%0.659SS**PPolyproline II helixtrans-87.9116.2172.6-77.4-166.4171.5-166.80109P131 I135P131-K133 PolarHBondContact O-N 3.33Å; P131-K133 VanDerWaalsContact O-N 3.07Å; K133-I135 PolarHBondContact O-N 3.07Å; K133-I135 VanDerWaalsContact O-N 3.15Å
134I29.5Very low30.4Very low151 Ų151122.1 Ų122.177%0.77468%0.68SS**PPolyproline II helixtrans-57.7117.6158.8-57.1173.9000106.8P136I134-P136 WeakPolarHBondContact O-CD 3.49Å
135I28.2Very low29.9Very low127 Ų127123.2 Ų123.265%0.65169%0.687SS**  trans-95.6108.2172-60.4176.4000105.9K133K133-I135 PolarHBondContact O-N 3.07Å; K133-I135 VanDerWaalsContact O-N 3.15Å
136P27Very low29.5Very low90 Ų90121.4 Ų121.458%0.58469%0.685SS**  trans-62.9140.8175.626.4-33.6000109.9I134 D138I134-P136 WeakPolarHBondContact O-CD 3.49Å; P136-D138 PolarHBondContact O-N 2.83Å
137A26.6Very low29Very low86 Ų86125.5 Ų125.571%0.71170%0.695SS**  trans-73.219.7-169.200000115.3K139A137-K139 VanDerWaalsContact C-N 3.27Å; A137-K139 PolarHBondContact O-N 3.15Å
138D26.9Very low28.8Very low99 Ų99120.1 Ų120.153%0.52969%0.688SS.*  trans-75.169.5-178.7-79.3-42.9000113.3P136 P952P136-D138 PolarHBondContact O-N 2.83Å; D138-P952 VanDerWaalsContact OD2-CG 3.25Å; D138-P952 WeakPolarHBondContact OD2-CG 3.31Å
139K36Very low28.4Very low164 Ų164121.3 Ų121.371%0.71369%0.691SS**  trans175.983.7137.9-92.1146.3-159.7134.10111.8A137 T141A137-K139 VanDerWaalsContact C-N 3.27Å; A137-K139 PolarHBondContact O-N 3.15Å; K139-T141 PolarHBondContact O-N 3.05Å
140C25.9Very low28.2Very low139 Ų139123 Ų12394%0.93971%0.711SS**  trans-74.169.1151.3-162.50000109.7
141T27.4Very low27.9Very low90 Ų90126.3 Ų126.355%0.55272%0.716SS**SBendtrans-138.4148.1169.553.40000108.2K139 V143K139-T141 PolarHBondContact O-N 3.05Å; T141-V143 VanDerWaalsContact C-N 3.29Å; T141-V143 PolarHBondContact O-N 2.95Å
142T25.2Very low27.9Very low153 Ų153129 Ų12994%0.93973%0.734SS**  trans-71.268.7-161.3-41.10000114.8R144T142-R144 PolarHBondContact O-N 2.93Å; T142-R144 VanDerWaalsContact O-N 3.16Å
143V26Very low27.4Very low115 Ų115130.9 Ų130.970%0.69774%0.738SS**  trans-85.586.7177-174.40000110.3T141T141-V143 VanDerWaalsContact C-N 3.29Å; T141-V143 PolarHBondContact O-N 2.95Å
144R23.9Very low27.4Very low184 Ų184129.3 Ų129.369%0.69474%0.743SS**PPolyproline II helixtrans-50.4128.5163.9177.9-178.3-176.3165.32.7110T142T142-R144 PolarHBondContact O-N 2.93Å; T142-R144 VanDerWaalsContact O-N 3.16Å
145P27.4Very low27Very low103 Ų103127.8 Ų127.867%0.66974%0.741SS**PPolyproline II helixtrans-61.4139.1177.424.9-33.6000110.5L147P145-L147 PolarHBondContact O-N 3.32Å
146P30.7Very low26.8Very low121 Ų121130.3 Ų130.379%0.78675%0.752SS**PPolyproline II helixtrans-70.6122.7-172.227-34000111.6A148P146-A148 PolarHBondContact O-N 3.45Å; P146-A148 VanDerWaalsContact O-N 3.14Å
147L26Very low26.6Very low137 Ų137130 Ų13072%0.71776%0.757SS**  trans-64.8111.2170.5-92.366.6000109.8P145P145-L147 PolarHBondContact O-N 3.32Å
148A28.4Very low26.7Very low93 Ų93131.3 Ų131.377%0.76976%0.761SS**  trans-117.2102.7173.300000110P146 V150P146-A148 PolarHBondContact O-N 3.45Å; P146-A148 VanDerWaalsContact O-N 3.14Å; A148-V150 PolarHBondContact O-N 2.93Å
149T23.8Very low26.8Very low137 Ų137134.2 Ų134.284%0.8478%0.776SS**  trans-79.6110.6-170.7-50.80000112.7
150V29.5Very low26.4Very low132 Ų132131.9 Ų131.980%0.878%0.777SS**  trans-138.4121.3166.1-173.70000110.1A148A148-V150 PolarHBondContact O-N 2.93Å
151K24.8Very low26.6Very low185 Ų185133.4 Ų133.480%0.80478%0.776SS**  trans-85.9126.4169.6-85.5-174.9169.9-174.90110.3
152P31.3Very low26.5Very low127 Ų127136.3 Ų136.383%0.82579%0.785SS**  trans-74.4135.6152.531.9-30.3000108.9
153N22.8Very low26.7Very low140 Ų140137 Ų13775%0.74978%0.782SS**  trans-134.185-177.8-176.876000110.3
154V28Very low26.7Very low143 Ų143136.1 Ų136.187%0.86778%0.781SS**  trans-137.4132.2173.4-173.30000108.8
155T21.9Very low27Very low119 Ų119132.9 Ų132.973%0.7379%0.786SS**  trans-107.8149.3179.9-46.20000109.6
156M24.6Very low26.8Very low180 Ų180135.8 Ų135.889%0.88780%0.796SS**  trans163.4127.2147.7-85-90-83.400107.2
157A22.8Very low26.7Very low83 Ų83135.9 Ų135.969%0.68680%0.8SS**  cis117.87615.100000112.4
158S28.2Very low26.9Very low113 Ų113135.4 Ų135.479%0.7980%0.803SS**  trans-177.4143.9156.652.40000109.1
159L28.6Very low26.9Very low161 Ų161137 Ų13784%0.84381%0.808SS**  cis-152.6139.2-21.3-152.770.2000106.6
160P27.8Very low27.1Very low114 Ų114134.3 Ų134.374%0.7481%0.807SS**  trans-86.4162.7-17334.8-36.5000113.3
161N29.8Very low27Very low171 Ų171137 Ų13791%0.91482%0.816SS**  trans-132.3133.4163.3-151.14000110
162M25.6Very low27Very low152 Ų152132 Ų13275%0.74982%0.817SS**  trans-105.3128.3-166.6-76.4176.753.400113.8
163I30.2Very low26.7Very low167 Ų167131.4 Ų131.486%0.85682%0.823SS**  trans-146110.6140.6-49179000105.4
164S25.7Very low26.8Very low97 Ų97128 Ų12868%0.67882%0.82SS**  cis8568.731.2-166.90000115.9
165S29.7Very low26.7Very low116 Ų116127.9 Ų127.981%0.81182%0.82SS**  trans-149.6110.4153.847.20000111.7
166N22.7Very low27Very low163 Ų163128.2 Ų128.287%0.87282%0.822SS**  trans-82.2143.8168.1-71.1-33.9000109.8
167S29.9Very low26.9Very low124 Ų124126 Ų12687%0.86782%0.822SS**  trans-162.2126.3135.4-86.40000113.2
168T28.5Very low27.1Very low127 Ų127127 Ų12778%0.77982%0.824SS**  trans-50157.6176.942.40000118.4
169S29.7Very low27.1Very low127 Ų127128.9 Ų128.989%0.88883%0.825SS**  trans81.1145.2153.879.20000118.5
170G27.5Very low26.9Very low79 Ų79128 Ų12881%0.81482%0.821SS**  trans131.7108.1179.900000112.5
171L26.4Very low26.8Very low190 Ų190130.5 Ų130.5100%0.99583%0.828SS**  trans-78.5127.8171.2-72.5143.1000109.5
172G26Very low26.5Very low80 Ų80131.1 Ų131.183%0.82582%0.823SS**  trans169134.7173.100000112.2
173A24.1Very low26.4Very low113 Ų113129 Ų12993%0.93482%0.823SS**  trans-97.2130.4176.300000110.4
174G24.9Very low26.1Very low68 Ų68126.6 Ų126.670%0.70182%0.821SS**  trans140.684172.900000114V176G174-V176 PolarHBondContact O-N 3.45Å
175T25.7Very low26Very low141 Ų141125.7 Ų125.787%0.86583%0.827SS**  trans-82.297.115645.80000107.3
176V27.9Very low26Very low126 Ų126128.5 Ų128.576%0.76483%0.832SS**  68.798.184.8175.30000110.8G174G174-V176 PolarHBondContact O-N 3.45Å
177C23.6Very low26.1Very low133 Ų133131.9 Ų131.990%0.89983%0.832SS**  trans-81.9145.2168.4-580000110.1
178S26.2Very low25.9Very low104 Ų104130.4 Ų130.473%0.72783%0.828SS**  trans-164.2139.2-179.3-167.20000106.5
179L28.6Very low25.8Very low153 Ų153132.6 Ų132.680%0.80183%0.834SS**  cis-146.4155.24.5-16960.2000108.8
180D23.5Very low25.8Very low143 Ų143137.3 Ų137.377%0.76583%0.833SS**  trans-61.7147.9174.9-57.8-92.6000113.4
181N25.8Very low25.6Very low166 Ų166139.2 Ų139.289%0.88883%0.831SS**  -158.8154.9128.9-119-38.6000114.1
182K23.7Very low25.6Very low185 Ų185135.8 Ų135.880%0.80482%0.818SS**  trans-103.7162.3175.6-66.5-179.9179.1178.80110.9
183S24.3Very low25.6Very low106 Ų106139.7 Ų139.774%0.74182%0.819SS**SBendtrans68.914915471.90000119.1
184S24.6Very low25.7Very low117 Ų117142.6 Ų142.682%0.81881%0.806SS**  trans58.4127.9166.656.70000117.4
185G23.6Very low25.9Very low78 Ų78146.1 Ų146.180%0.80481%0.807SS**  trans-74158-173.900000114.6
186L27.9Very low25.8Very low175 Ų175147.5 Ų147.592%0.91680%0.797SS**  trans-146.9149.1155.1-109.9168.8000109.4
187R25.5Very low25.9Very low235 Ų235152.4 Ų152.489%0.88780%0.802SS**  trans-66.6159.4177.6-68.1175.3169.3-171.2-6.5110.9
188A25.8Very low25.9Very low93 Ų93154.1 Ų154.177%0.76980%0.797SS**  trans9391.3168.500000118.3
189N27.1Very low26Very low172 Ų172154.5 Ų154.592%0.9280%0.797SS**  trans-160.125.9134.1-102.5-24.3000114
190R28.1Very low26Very low226 Ų226154 Ų15485%0.85380%0.8SS**SBendtrans-74.4131171.1-150.1178.8-165-165.35.8108.5V192R190-V192 PolarHBondContact O-N 3.43Å
191P25.2Very low26.1Very low119 Ų119150.8 Ų150.877%0.77379%0.793SS**  trans-72.791-176.827.8-34.5000111.6L193P191-L193 PolarHBondContact O-N 2.91Å
192V26.2Very low26Very low119 Ų119148.2 Ų148.272%0.72180%0.795SS**  trans-74.193.2179.8-174.90000110.7R190 R194R190-V192 PolarHBondContact O-N 3.43Å; V192-R194 HydrophobicContact CG1-CG 4.03Å; V192-R194 PolarHBondContact O-N 2.82Å
193L24.9Very low26.2Very low161 Ų161146.2 Ų146.284%0.84379%0.793SS**  trans-70.975.9167.5-88.7163.6000110.8P191 I195P191-L193 PolarHBondContact O-N 2.91Å; L193-I195 PolarHBondContact O-N 2.86Å
194R26.9Very low26.4Very low175 Ų175150.5 Ų150.566%0.6680%0.798SS**  trans-65.997.4166.5-91.1-166.8177.4-168.3-2109.7V192 Y196V192-R194 HydrophobicContact CG1-CG 4.03Å; V192-R194 PolarHBondContact O-N 2.82Å; R194-Y196 HydrophobicContact CB-CD2 4Å; R194-Y196 HydrophobicContact CB-CE2 3.77Å; R194-Y196 WeakPolarHBondContact CD-OH 3.47Å; R194-Y196 HydrophobicContact CG-CE2 4.45Å; R194-Y196 PolarHBondContact NH1-OH 3.35Å; R194-Y196 PolarHBondContact O-N 2.87Å
195I29.2Very low26.3Very low142 Ų142149.4 Ų149.473%0.72880%0.796SS**  trans-70.582.6164.2-54.5179.2000107.8L193 R197L193-I195 PolarHBondContact O-N 2.86Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 2.83Å
196Y24.2Very low26.6Very low169 Ų169152.8 Ų152.866%0.66380%0.796SS**  trans-63.897.6164.1-71.1-77.2000108.1R194 Q198R194-Y196 HydrophobicContact CB-CD2 4Å; R194-Y196 HydrophobicContact CB-CE2 3.77Å; R194-Y196 WeakPolarHBondContact CD-OH 3.47Å; R194-Y196 HydrophobicContact CG-CE2 4.45Å; R194-Y196 PolarHBondContact NH1-OH 3.35Å; R194-Y196 PolarHBondContact O-N 2.87Å; Y196-Q198 PolarHBondContact O-N 3.44Å
197R28.7Very low26.3Very low230 Ų230150.6 Ų150.687%0.86879%0.79SS**  trans-62.989.8159.2-72-170.9-178.3-172.64107I195 P199I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 2.83Å; R197-P199 VanDerWaalsContact O-CD 3.32Å; R197-P199 WeakPolarHBondContact O-CD 3.05Å; R197-P199 VanDerWaalsContact O-N 3.09Å
198Q24.7Very low26.4Very low169 Ų169147.8 Ų147.879%0.7978%0.784SS**  trans-56.1117.4176.3-175.1171.86.600107.4Y196 V200Y196-Q198 PolarHBondContact O-N 3.44Å; Q198-V200 PolarHBondContact O-N 2.81Å
199P27.5Very low26.3Very low112 Ų112149.8 Ų149.873%0.72778%0.782SS**  trans-67.4108.3-178.726.3-32.3000107.3R197 A201R197-P199 VanDerWaalsContact O-CD 3.32Å; R197-P199 WeakPolarHBondContact O-CD 3.05Å; R197-P199 VanDerWaalsContact O-N 3.09Å; P199-A201 PolarHBondContact O-N 2.83Å
200V28.6Very low26.3Very low143 Ų143150.4 Ų150.487%0.86778%0.777SS**  trans-69.481.5169.2-178.40000106.4Q198 A202Q198-V200 PolarHBondContact O-N 2.81Å; V200-A202 PolarHBondContact O-N 2.7Å; V200-A202 VanDerWaalsContact O-N 3.14Å
201A26.2Very low26.2Very low75 Ų75145.5 Ų145.562%0.6277%0.767SS**  trans-61.2117.5-177.900000108.2P199 N203P199-A201 PolarHBondContact O-N 2.83Å; A201-N203 PolarHBondContact O-N 3.5Å
202A23.5Very low26.5Very low111 Ų111146.1 Ų146.192%0.91776%0.763SS**  trans-65.585.6174.500000109.3V200V200-A202 PolarHBondContact O-N 2.7Å; V200-A202 VanDerWaalsContact O-N 3.14Å
203N28.2Very low26.5Very low144 Ų144149.5 Ų149.577%0.7777%0.765SS**  trans-136.4133-178.2-138.3-11000111.8A201A201-N203 PolarHBondContact O-N 3.5Å
204K28.5Very low26.7Very low196 Ų196147 Ų14785%0.85276%0.76SS**  trans-58.7148.6-164-64.7166.7178179.40113
205A23Very low26.8Very low93 Ų93144.4 Ų144.477%0.76977%0.769SS**  trans-33.113416800000114.7
206N28.1Very low26.8Very low149 Ų149141.5 Ų141.580%0.79777%0.774SS**  trans-146.6131.5144.9-105.8-28000109.4
207V23.1Very low27.2Very low130 Ų130141.4 Ų141.479%0.78878%0.784SS**  trans-83.5127.4176.2174.80000108.5
208F27Very low27.4Very low176 Ų176135 Ų13577%0.77277%0.772SS**  trans-135.7106160.9-85.9-74.8000110.4F210F208-F210 HydrophobicContact CD1-CE2 4.36Å
209N23.1Very low27.6Very low134 Ų134136.2 Ų136.272%0.71778%0.775SS**  trans-88.9138.7166.6-136.938000107.9
210F28.5Very low27.6Very low186 Ų186135.8 Ų135.882%0.81678%0.775SS**  trans-140.390.6169.7-101-78.8000109.9F208F208-F210 HydrophobicContact CD1-CE2 4.36Å
211D25.9Very low27.7Very low123 Ų123134.2 Ų134.266%0.65877%0.77SS**  trans-70.8156.9152.7-71.6-66.8000109.6
212L30Very low28Very low132 Ų132134.8 Ų134.869%0.69177%0.77SS**  164.1141117.7-86.4174.5000114
213Y27.4Very low28.5Very low190 Ų190137.2 Ų137.275%0.74576%0.762SS**  trans61.2114158.6-59.2-48.7000119.1
214S28.7Very low28.7Very low108 Ų108137.7 Ų137.776%0.75576%0.759SS**  88.4140.293.2-66.60000113.3
215S29.2Very low28.7Very low120 Ų120133.8 Ų133.884%0.83975%0.752SS**  cis-159.8143.40.547.60000110.2
216G29.7Very low29.3Very low81 Ų81134.5 Ų134.584%0.83575%0.749SS**  trans-17456.9-176.200000116.6
217L31.5Very low29.4Very low167 Ų167135 Ų13587%0.87475%0.747SS**  trans-72.8168.8165.1-81.7163.9000110.8
218P33.7Very low29.7Very low96 Ų96133 Ų13362%0.62374%0.738SS**  cis-140.9162.212.737.2-17.7000118.4
219K29.2Very low29.7Very low194 Ų194131 Ų13184%0.84374%0.736SS**  trans63.7155.2148.4-69.7161.3-175.3175.70117.9
220S26.8Very low30Very low103 Ų103131.1 Ų131.172%0.7274%0.735SS**  cis-163.2136.7-18.545.20000103.9
221S29.5Very low29.9Very low110 Ų110128.5 Ų128.577%0.76973%0.734SS**  162156.858.9260000104.2
222S33.5Very low30Very low88 Ų88126.7 Ų126.762%0.61574%0.736SS**  cis-171.3140.94.339.50000110.1
223H34.9Very low29.8Very low162 Ų162125.2 Ų125.275%0.7574%0.736SS**  trans60.6151.8156.9-54.3-52.5000118.9
224Q31.7Very low29.8Very low153 Ų153125.4 Ų125.472%0.71574%0.741SS**  cis-162147.9-19.3-106.6173.2-77.200105.6
225T28.3Very low29.8Very low115 Ų115124.8 Ų124.871%0.70674%0.737SS**  cis67139.88.676.50000118.2
226P35.8Very low29.7Very low107 Ų107126.6 Ų126.670%0.69574%0.737SS**  cis-111.6-158.2-37.5176.4000110
227Q29.6Very low29.6Very low161 Ų161127.3 Ų127.375%0.75274%0.735SS**  177.9143.973.4-97.6168.8-17.700108
228S28.9Very low29.2Very low88 Ų88126.7 Ų126.762%0.61573%0.733SS**  68.3142.567.8106.70000113.1
229N28Very low29Very low133 Ų133127.1 Ų127.171%0.71174%0.736SS**  cis-170178.87-135.4-8.2000111.1
230I29.4Very low28.8Very low136 Ų136125.1 Ų125.170%0.69773%0.731SS**  trans65.5115.5148.8-71162.1000116.7
231V26.5Very low28.9Very low131 Ų131128.2 Ų128.279%0.79473%0.734SS**  98141.151.2158.80000113
232A27.1Very low28.7Very low86 Ų86127.3 Ų127.371%0.71173%0.728SS**  trans72.7154.8171.200000117.2
233S26.4Very low28.4Very low100 Ų100130.7 Ų130.770%0.69974%0.736SS**  cis-169147.6-22.9-1000000111.7
234K28.1Very low28.2Very low195 Ų195128.4 Ų128.485%0.84873%0.733SS**  trans68147.9153.5-69.1177.8177.4-179.60121.3
235S27.3Very low28.1Very low95 Ų95128.5 Ų128.566%0.66473%0.733SS**  trans69.1116.6142.355.70000122.1
236N27.9Very low28.1Very low157 Ų157128 Ų12884%0.8473%0.726SS**  trans81.9128.9132.2-61.27.6000120.9
237A27.8Very low28Very low97 Ų97131.8 Ų131.880%0.80273%0.734SS**  trans71.7118.3142.300000119.8
238D22.5Very low28Very low153 Ų153130 Ų13082%0.81873%0.729SS**  trans-47.9163141.9-58.6-79000111.8
239P30.9Very low28.2Very low105 Ų105135.5 Ų135.568%0.68274%0.743SS**  cis-147.3-176.924.144.4-25.4000117.6
240M23.7Very low28.2Very low153 Ų153133.8 Ų133.875%0.75474%0.737SS**  trans69.1149.6146.3-83.6-176.8100.200121
241Q28.4Very low28.4Very low168 Ų168137.1 Ų137.179%0.78575%0.746SS**  trans69.5146.4156.5-70.9167.463.500117.2
242S26.5Very low28.4Very low90 Ų90140.5 Ų140.563%0.62975%0.745SS**  cis-165168.8-19.8-166.30000109.8
243M27.1Very low28.4Very low160 Ų160142.8 Ų142.879%0.78874%0.744SS**  trans69.5128.9164.3-72.3175.5-77.500118.1
244V29.9Very low28.5Very low114 Ų114142.3 Ų142.369%0.69174%0.741SS**  85.7135.566.2121.90000111.7
245H29.9Very low28.4Very low154 Ų154142.3 Ų142.371%0.71374%0.744SS**  cis-144.9176.631.1-143.164.6000116.8
246L28.2Very low28.4Very low105 Ų105144 Ų14455%0.5575%0.751SS.*  trans-55.8155.6-176.6-76.552.1000118.1
247Q34Very low28.1Very low187 Ų187143.9 Ų143.987%0.87475%0.749SS**  -179.4112.4100.9-90.2179.233.300110.8
248N29.9Very low28.1Very low122 Ų122146.4 Ų146.465%0.65275%0.748SS**  85.394.664.4-91.3-15.8000117.5
249K32.3Very low28.1Very low205 Ų205144.5 Ų144.589%0.89174%0.743SS**  -173.179.2129.1-107.5173.9179.7175.90112.4
250T29.5Very low27.8Very low97 Ų97145.2 Ų145.260%0.59575%0.745SS**  50.397.598.9580000118.6
251K31.7Very low27.7Very low206 Ų206144 Ų14490%0.89675%0.746SS**  -144.2116.6101.5-95.3-179.2175.6-178.50106.7
252R26.8Very low27.5Very low201 Ų201142.2 Ų142.276%0.75875%0.747SS**  58.5128.356-76.7-157.9153-159.1-4.6112.2
253L28.2Very low27.3Very low134 Ų134145.8 Ų145.870%0.70276%0.757SS**  cis-158.6167.8-0.7-91.3159.8000106
254S28.9Very low27.3Very low91 Ų91142.7 Ų142.764%0.63675%0.751SS**  cis-165.1156.9-1038.30000109.2
255E25.5Very low27Very low194 Ų194144.4 Ų144.491%0.90776%0.757SS**  trans-75.6152.4160.4-61.2153.4124.200110.4
256T26.4Very low26.7Very low132 Ų132141.5 Ų141.581%0.8175%0.753SS**  trans-136.7125158.2-42.60000108.8
257L23.2Very low26.6Very low154 Ų154143.9 Ų143.981%0.80677%0.767SS**  trans-94-161.4174.4-144.677.7000109.7
258L25.8Very low26.2Very low149 Ų149139 Ų13978%0.7875%0.753SS**  trans83.6125.6178.1-49.8166000113.3
259T23.6Very low26.1Very low114 Ų114140.2 Ų140.270%0.69976%0.76SS**  cis88.3136.123.1-46.70000114.6
260T24.6Very low25.9Very low120 Ų120134.1 Ų134.174%0.73675%0.748SS**  trans68.8116.9170.530.50000119.7
261T21.1Very low25.8Very low126 Ų126137.4 Ų137.477%0.77376%0.761SS**  trans-6.4135.814050.90000119.1
262V24.7Very low25.7Very low132 Ų132132.5 Ų132.580%0.875%0.753SS**  trans-162.9154.9132.2128.80000110.9
263I22.5Very low25.8Very low165 Ų165128.2 Ų128.285%0.84675%0.751SS**  trans-95.1113.8176.1-61164.8000109.7
264S26.4Very low25.6Very low94 Ų94127 Ų12766%0.65775%0.754SS**  trans-165.4108.9163.253.30000109.3
265N23.5Very low25.6Very low151 Ų151128.2 Ų128.281%0.80776%0.757SS**  79.6138.673.7-93.2-4.9000115.8
266S24.6Very low25.6Very low92 Ų92124 Ų12464%0.64375%0.749SS**  trans63.4109.8155.252.10000120.5
267N25.4Very low25.5Very low155 Ų155123.2 Ų123.283%0.82975%0.748SS**  76.2142.2129.6-54.4-2000118.7
268S26.4Very low25.6Very low85 Ų85123 Ų12359%0.59475%0.747SS**  cis-161.9175.4-13.245.50000110.9
269D28.2Very low25.5Very low147 Ų147120.4 Ų120.479%0.78674%0.742SS**  trans87.1128.9156.9-52.7-50.1000118.4
270A27Very low25.5Very low78 Ų78121.4 Ų121.465%0.64575%0.747SS**  cis-160.3134.8-6.600000113.6
271L28.2Very low25.7Very low165 Ų165122.4 Ų122.486%0.86475%0.747SS**  trans64.7140.1150.9-54.9166.7000117.8
272S28.7Very low25.8Very low104 Ų104122.4 Ų122.473%0.72775%0.746SS**  cis-152.6165-2.5-107.70000111.7
273P29Very low25.9Very low110 Ų110123.2 Ų123.271%0.71474%0.742SS**  trans-122.7-176.1-152.343.9-33.4000116.4
274S25Very low26.2Very low110 Ų110122.7 Ų122.777%0.76974%0.736SS**  trans72.3158.8158.878.40000116.7
275T28.6Very low26.1Very low116 Ų116122.5 Ų122.571%0.71273%0.734SS**  cis-135.51294.536.90000108.5
276S24.8Very low26.5Very low104 Ų104119.9 Ų119.973%0.72773%0.725SS**  60.7106.27577.20000116.8
277C25.2Very low26.6Very low116 Ų116123.7 Ų123.778%0.78474%0.737SS**  trans172.6136.3147.2-94.80000107.2
278N23.9Very low26.5Very low149 Ų149120.9 Ų120.980%0.79773%0.729SS**  63130.655.4-64.9-10.9000112.2
279S24.8Very low26.3Very low96 Ų96123.1 Ų123.167%0.67174%0.739SS**  cis-176.1143.15.1450000113.3
280V23Very low26.1Very low134 Ų134121.6 Ų121.681%0.81274%0.736SS**  trans65.3169142.3-1780000117.8
281I28.3Very low25.9Very low142 Ų142125 Ų12573%0.72874%0.741SS**  trans75.4105.9178.6-46-179.2000112.5
282V23.7Very low25.6Very low125 Ų125121.3 Ų121.376%0.75874%0.735SS**  cis71.795.733.9-169.60000114.5
283Q27.1Very low25.5Very low150 Ų150120.9 Ų120.970%0.70173%0.732SS**  trans-172.4132.7137-107.5172.8-78.600114.8
284Q28.6Very low25.3Very low154 Ų154123.1 Ų123.172%0.7273%0.733SS**  trans6094.5138.5-69.6161.5-8.700121.3
285S24.4Very low25.3Very low89 Ų89125.6 Ų125.662%0.62273%0.732SS**  31.5147.9113.5-48.40000122.6
286P31Very low25.1Very low97 Ų97125.4 Ų125.463%0.6373%0.731SS**  trans-89.9159-169.637.3-37.8000115.3L356P286-L356 HydrophobicContact CG-CD1 4.49Å
287I28.4Very low25.2Very low171 Ų171127.5 Ų127.588%0.87773%0.731SS**  trans-136.3142.1160.7-64.1-175.9000109.5
288S22.4Very low25.2Very low96 Ų96128 Ų12867%0.67173%0.726SS**  trans-85.4-174.5-173.3-470000114.3
289T22.7Very low25.3Very low132 Ų132128.1 Ų128.181%0.8173%0.726SS**  trans72.3150.7160.763.60000117.9
290T22.7Very low25.5Very low116 Ų116127.5 Ų127.571%0.71273%0.727SS**  cis-167.2-177.3-20.8-81.70000105.5
291I24Very low25.6Very low148 Ų148127.8 Ų127.876%0.75972%0.724SS**  trans79.3105.3170.4-43.3175.5000110.5
292A22.5Very low25.5Very low88 Ų88125.9 Ų125.973%0.72772%0.719SS**  73.1157.655.400000113
293S25.2Very low25.6Very low95 Ų95127.7 Ų127.766%0.66472%0.719SS**  trans65.7142.5-166.2-61.50000113.1
294E24.8Very low25.5Very low158 Ų158124.5 Ų124.574%0.73871%0.714SS**  cis-154.7-177.8-7.1-133.6128.9-117.700110.7
295E24.3Very low25.4Very low162 Ų162125 Ų12576%0.75772%0.719SS**  trans-12.3153.7141.9-61.3-174.8166.900117.1
296T25.3Very low25.5Very low112 Ų112123.7 Ų123.769%0.68772%0.721SS**  cis-169.9-178.326.9-7.20000111.9
297M26Very low25.4Very low148 Ų148124.9 Ų124.973%0.72973%0.726SS**  trans68.1108.1148-64.3-115.5-80.700117
298N26.6Very low25.3Very low127 Ų127123.4 Ų123.468%0.67972%0.718SS**  92.4112.375.3-77.67.7000112
299D26.3Very low25.5Very low150 Ų150124.1 Ų124.180%0.80271%0.714SS**  179.1123.7101.2-96.3-23.2000107.9
300A27.4Very low25.8Very low83 Ų83124.3 Ų124.369%0.68671%0.706SS**  78.1152.388.400000112.4
301N26.2Very low26Very low141 Ų141124.5 Ų124.575%0.75470%0.703SS**  cis-157.5-179.715-154.3-13.8000111.1
302V26.9Very low26.2Very low102 Ų102124 Ų12462%0.61870%0.697SS**  trans67.8102.6158.8172.50000114.8
303Q25.9Very low26.5Very low162 Ų162125.4 Ų125.476%0.75769%0.693SS**  69.5150.770.5-69.8172.7-15.400114.2
304S24.7Very low26.8Very low84 Ų84127.3 Ų127.359%0.58769%0.694SS**  cis-178.8173.9-22.458.70000108
305I25.9Very low26.9Very low163 Ų163124.8 Ų124.884%0.83669%0.689SS**  trans70.2126.4166.8-52.9151.8000113.3
306G27Very low27.1Very low63 Ų63121.2 Ų121.265%0.64968%0.682SS**  cis156.5-144.40.300000109.9
307V28.5Very low27.1Very low122 Ų122122.4 Ų122.474%0.73968%0.68SS**  trans72.7101.7175.4-171.70000111.8
308I26Very low27.1Very low139 Ų139122.1 Ų122.171%0.71368%0.677SS**  70.9122.473.9-68.3165.1000109.6
309N26.7Very low27Very low111 Ų111122.5 Ų122.559%0.59468%0.677SS**  cis-157.9165.811.8-132.94.4000114.5
310Q28.1Very low26.8Very low137 Ų137120 Ų12064%0.6467%0.67SS**  trans44.5122.1136.9-75.6168.4-12.600120.5
311N26.9Very low26.7Very low119 Ų119122.9 Ų122.964%0.63667%0.674SS**  81.4155.4120.5-66.818.8000117.9
312E30Very low26.5Very low139 Ų139123.3 Ų123.365%0.6568%0.676SS**  cis-151.8164.58.5-137.2157.7-108.400112.7
313N28.3Very low26.3Very low117 Ų117121.9 Ų121.963%0.62668%0.675SS**  trans66.4136.5143.3-79.4-24000119.7
314I30.7Very low26.2Very low135 Ų135123.3 Ų123.369%0.69268%0.682SS**  cis-134.4124.8-9.8-44.2-178.3000104.3
315T28Very low26.2Very low105 Ų105124.1 Ų124.164%0.64469%0.687SS**  41.8126.190.9-4.50000111.5
316S27.7Very low26.1Very low86 Ų86122.5 Ų122.560%0.60168%0.68SS**  -168.5141.875.5-100.50000109.9
317Q26Very low26Very low138 Ų138125.3 Ų125.365%0.64568%0.68SS**  55.7129.491.5-55.7177.871.500112
318Q25.5Very low25.9Very low142 Ų142126 Ų12666%0.66468%0.678SS**  cis-172.6148.913.1-126.7174.5-17.700109.8
319I24.9Very low25.8Very low135 Ų135124.1 Ų124.169%0.69268%0.677SS**  trans58.7154.9135-75.6172000120.1
320C22.2Very low25.7Very low97 Ų97124.7 Ų124.766%0.65568%0.68SS**  trans72116.1166.2-78.70000116.6
321L23.9Very low25.6Very low144 Ų144125 Ų12575%0.75468%0.682SS**  92.6118.790.9-74.5176.1000109.8
322N22.3Very low25.5Very low150 Ų150126.7 Ų126.780%0.80269%0.686SS**  78.5144.768-15525.5000111.8
323A23.4Very low25.3Very low72 Ų72125.7 Ų125.760%0.59568%0.681SS**  trans75124.3-169.300000114
324Q23.6Very low25.3Very low192 Ų192127.8 Ų127.890%0.89769%0.691SS**  78.6129.998.4-70.7174.2-2300113.4
325S24.8Very low25Very low100 Ų100125.4 Ų125.470%0.69969%0.686SS**  cis-152.6167.49.963.80000113.8
326N24.2Very low24.9Very low129 Ų129126.3 Ų126.369%0.6969%0.687SS**  6.9146.6127.9-63.756.6000117.8
327D24.9Very low24.7Very low122 Ų122129.8 Ų129.865%0.65270%0.699SS**  cis-162.4172.116.4-130.6-40.8000113
328I25.3Very low24.7Very low136 Ų136126.1 Ų126.170%0.69770%0.698SS**  trans59.8104.1156.3-62.4160.6000114.9
329S24.4Very low24.9Very low100 Ų100124.5 Ų124.570%0.69970%0.702SS**  63.6140.892-590000114.9
330D25.2Very low24.8Very low123 Ų123124.4 Ų124.466%0.65870%0.702SS**  cis-153.2171.416.7-135.9-44.7000113.6
331H25.1Very low25Very low144 Ų144128 Ų12867%0.66771%0.707SS**  trans59.7125.1157.5-66.5-16.4000121.8
332Q25.2Very low25.2Very low155 Ų155124.2 Ų124.272%0.72469%0.692SS**  trans51.8103.6133.4-58.5176-14.700117.1
333Q25.6Very low25.4Very low117 Ų117121.8 Ų121.855%0.54768%0.683SS.*  -158.6138.970.8-94.3127.716.500115.3L666Q333-L666 HydrophobicContact CG-CD1 4.49Å; Q333-L666 VanDerWaalsContact OE1-CD1 3.27Å
334I27.6Very low25.6Very low161 Ų161126.4 Ų126.483%0.82669%0.69SS**  38.6102129-52.2178000116.1
335S24.1Very low26Very low85 Ų85122 Ų12259%0.59468%0.68SS**  trans-76.5-175.3165.448.70000112.7
336D26.3Very low26.2Very low124 Ų124123.8 Ų123.866%0.66368%0.681SS**  trans76101.5159.8-47.7-46.7000115.2
337N24.6Very low26.2Very low159 Ų159122.2 Ų122.285%0.8567%0.672SS**  cis50.988.143.6-71.5-35.5000114.4
338G25.2Very low26.3Very low62 Ų62120.1 Ų120.164%0.63967%0.665SS**SBendtrans90.5126.5138.900000119.9I340G338-I340 VanDerWaalsContact O-CG1 3.23Å; G338-I340 WeakPolarHBondContact O-CG1 3.36Å
339S29Very low26.4Very low107 Ų107116.6 Ų116.675%0.74865%0.651SS**  trans50.969.9139.4-168.70000119S342S339-S342 PolarHBondContact O-OG 3.36Å
340I24.3Very low26.6Very low133 Ų133116.8 Ų116.868%0.68265%0.65SS**  trans-117.240.8-175.2-30.4179.8000114.9G338G338-I340 VanDerWaalsContact O-CG1 3.23Å; G338-I340 WeakPolarHBondContact O-CG1 3.36Å
341F26.3Very low26.7Very low173 Ų173115 Ų11576%0.75965%0.653SS**  trans-120.822.6156.2-94.2-62.3000113.5V343 F344F341-V343 PolarHBondContact O-N 2.82Å; F341-F344 HydrophobicContact CD1-CD2 4.09Å; F341-F344 HydrophobicContact CD1-CE2 4.06Å; F341-F344 HydrophobicContact CE1-CD2 4.46Å; F341-F344 AromaticContact CE1-CE2 3.96Å; F341-F344 HydrophobicContact CE1-CE2 3.96Å
342S27.2Very low26.8Very low64 Ų64113.8 Ų113.845%0.44866%0.66SS.*THydrogen-bonded Turntrans-68.618172.7-46.70000114.5S339S339-S342 PolarHBondContact O-OG 3.36Å
343V26.9Very low26.8Very low100 Ų100112.2 Ų112.261%0.60667%0.666SS**THydrogen-bonded Turntrans-107.9-26.6-168.2-174.10000112.8F341 S345F341-V343 PolarHBondContact O-N 2.82Å; V343-S345 PolarHBondContact O-N 3.35Å
344F28.6Very low26.8Very low169 Ų169114.8 Ų114.874%0.74168%0.678SS**THydrogen-bonded Turntrans-72.4-0.9169.2-73.8-66.6000113.5F341F341-F344 HydrophobicContact CD1-CD2 4.09Å; F341-F344 HydrophobicContact CD1-CE2 4.06Å; F341-F344 HydrophobicContact CE1-CD2 4.46Å; F341-F344 AromaticContact CE1-CE2 3.96Å; F341-F344 HydrophobicContact CE1-CE2 3.96Å
345S31Very low26.7Very low99 Ų99112.4 Ų112.469%0.69267%0.671SS**THydrogen-bonded Turntrans-88.511.4179.5-49.10000114.4V343V343-S345 PolarHBondContact O-N 3.35Å
346L28.3Very low26.6Very low137 Ų137113.8 Ų113.872%0.71767%0.672SS**SBendtrans-137.29.5-159.9-80.6173.4000117.9
347L25.9Very low26.5Very low96 Ų96113.4 Ų113.450%0.50367%0.673SS.*  trans-131.9151.9178.8-68.6171.4000113.4T712 S713 T714L347-T712 CarbonylContact O-C 2.74Å; L347-S713 PolarHBondContact O-N 3.36Å; L347-S713 VanDerWaalsContact O-N 3.16Å; L347-T714 WeakPolarHBondContact CD1-O 3.46Å
348P26.9Very low26.5Very low78 Ų78110.8 Ų110.851%0.50666%0.663SS.*  trans-109161.7-157.941.3-38.1000117.4T712 T714P348-T712 CarbonylContact C-O 3.58Å; P348-T712 WeakPolarHBondContact CA-O 3.08Å; P348-T714 HydrophobicContact CG-CG2 4.43Å; P348-T714 WeakPolarHBondContact O-CB 3.31Å; P348-T714 PolarHBondContact O-OG1 2.76Å
349P25.6Very low26.5Very low62 Ų62114.4 Ų114.440%0.40367%0.668SS.*  trans-85.9146.8-150.6-11.125.9000116.8A351 T712P349-A351 PolarHBondContact O-N 3.19Å; P349-T712 WeakPolarHBondContact CA-O 3.48Å; P349-T712 WeakPolarHBondContact CB-O 3.14Å; P349-T712 WeakPolarHBondContact CD-O 3.46Å; P349-T712 VanDerWaalsContact CG-O 3.32Å; P349-T712 WeakPolarHBondContact CG-O 3.16Å
350P28.8Very low26.2Very low104 Ų104117.8 Ų117.868%0.67567%0.674SS**  trans-95.574.4167.436.6-30.7000111.3
351A27.2Very low26.2Very low87 Ų87116.7 Ų116.772%0.71967%0.673SS**  trans-124.5100.5174.600000110.7P349P349-A351 PolarHBondContact O-N 3.19Å
352S27.7Very low26.3Very low118 Ų118115.7 Ų115.783%0.82568%0.675SS**  trans-168.855.2170.250.50000113.3E354S352-E354 PolarHBondContact O-N 3.04Å
353S25.3Very low26.1Very low121 Ų121122 Ų12285%0.84669%0.69SS**  trans-7882.8158.854.50000110
354E26.7Very low25.9Very low171 Ų171122.3 Ų122.380%0.79969%0.694SS**  trans-163.8147.5159.7-124.9-179.9-152.100117.4S352S352-E354 PolarHBondContact O-N 3.04Å
355T24.1Very low25.8Very low111 Ų111120.7 Ų120.768%0.68170%0.698SS**  trans77.9136.7155.164.40000122.9
356L23.7Very low25.4Very low115 Ų115122.7 Ų122.760%0.60270%0.699SS**  trans76.8105.6160.3-61.7159000117.6P286P286-L356 HydrophobicContact CG-CD1 4.49Å
357V23.6Very low25.3Very low115 Ų115122.4 Ų122.470%0.69770%0.703SS**  80.612570166.20000111.3
358T25.1Very low25.1Very low104 Ų104122.6 Ų122.664%0.63871%0.712SS**  cis-151.1162.130.9-15.90000112.7
359D23.4Very low25.2Very low139 Ų139127.3 Ų127.374%0.74373%0.727SS**  trans28.5116.5145.7-58.1-8.3000121.7
360M24.7Very low25.1Very low177 Ų177130.9 Ų130.987%0.87274%0.743SS**  -147.1119.5118.6-158.7168.1-65.800112
361V23.8Very low25.1Very low110 Ų110133 Ų13367%0.66775%0.749SS**  trans-92.9120.8179174.70000110.4Y363V361-Y363 HydrophobicContact CG1-CD2 4Å; V361-Y363 HydrophobicContact CG1-CE2 3.98Å
362I27.4Very low25.1Very low153 Ų153135.6 Ų135.679%0.78575%0.749SS**  trans-133.1137.3154.7-60.8-174.9000108.4
363Y22.9Very low25.2Very low195 Ų195135.9 Ų135.977%0.76575%0.752SS**  trans-78.2154.8-169.4-93.5-117.4000114.1V361V361-Y363 HydrophobicContact CG1-CD2 4Å; V361-Y363 HydrophobicContact CG1-CE2 3.98Å
364P23.9Very low25.2Very low108 Ų108137.6 Ų137.670%0.70175%0.751SS**  trans-72.5143.9166.132.4-34.4000111
365V25.6Very low25.3Very low135 Ų135134.2 Ų134.282%0.81875%0.752SS**  trans-113.7105.8168.6179.20000108.8
366I22.9Very low25.5Very low140 Ų140137.9 Ų137.972%0.71876%0.759SS**  trans-88.7134168.6-60167000107.6
367T26.2Very low25.6Very low131 Ų131136.8 Ų136.880%0.80476%0.761SS**  trans-136.9120.7152.645.10000108.7
368C22.5Very low25.9Very low101 Ų101137.2 Ų137.268%0.68276%0.764SS**  trans-107.8139169.2-560000107.7
369E28Very low26.1Very low176 Ų176138.8 Ų138.882%0.82277%0.768SS**  trans-131.1103164.4-80.3-71.8142.900106.8
370D24.1Very low26.1Very low138 Ų138139.5 Ų139.574%0.73877%0.771SS**  trans-66153.9159.4-68.6-67.8000108.9
371N28.9Very low26.4Very low149 Ų149138 Ų13880%0.79777%0.772SS**  trans-158.6127.8142.6-107.5-64.7000111.7
372L27.8Very low26.5Very low140 Ų140137.5 Ų137.573%0.73377%0.773SS**  trans-75.9156.8171.3-82.660.5000110.1
373S29.6Very low26.6Very low125 Ų125137.1 Ų137.187%0.87478%0.778SS**  trans-156.9112.7146.5-81.40000110.5
374D24.8Very low26.7Very low156 Ų156137 Ų13783%0.83478%0.782SS**  trans-65.8139.5168.7-68.5-80.1000111.7
375A28Very low27Very low100 Ų100142.6 Ų142.683%0.82679%0.789SS**  -177.9161.1127.700000113.6
376K27.8Very low27.1Very low189 Ų189147.1 Ų147.182%0.82279%0.791SS**  cis-175.8131.8-35.9-172.7167.2-177.8174.80108.7
377S26.5Very low27.2Very low92 Ų92150.5 Ų150.564%0.64380%0.795SS**  trans66.6147.7160.3-72.10000121.2
378T29.3Very low27.2Very low123 Ų123150.7 Ų150.776%0.75579%0.791SS**  trans67.8142.1146.845.50000119.6
379D29.5Very low27.5Very low137 Ų137154.5 Ų154.573%0.73380%0.799SS**  cis-147170.41.7-135.2-33.7000114.7
380L25.1Very low27.3Very low154 Ų154151.3 Ų151.381%0.80679%0.793SS**  trans-76.7152.1174.5-63.7139000111.7
381V30Very low27.7Very low145 Ų145151.2 Ų151.288%0.87980%0.8SS**  -172.4153.1127.3137.90000111.1
382S25.5Very low27.7Very low100 Ų100155 Ų15570%0.69980%0.803SS**  trans-114.2145.2-173.368.50000113.7
383T30.2Very low27.6Very low145 Ų145157.3 Ų157.389%0.8981%0.811SS**  trans-126.5111.6169.444.90000111.7
384K25.1Very low27.6Very low193 Ų193159.8 Ų159.884%0.83981%0.813SS**  trans-95.9126.1174.7-71.4174.6178.3168.10111.5
385R28.7Very low27.6Very low225 Ų225157.6 Ų157.685%0.84981%0.81SS**  trans175.6149.4151.4-100.7157.3178.2-161.60.6108.2
386R29Very low27.6Very low230 Ų230159 Ų15987%0.86881%0.811SS**  cis-145.3179.9-3-146.3169.9-173.3-179.50.2109.3
387R24.9Very low27.6Very low212 Ų212153.6 Ų153.680%0.881%0.808SS**  trans-120.9144.4-162.1170.7-179.5179.8-171.23.1112.6
388N26Very low27.6Very low134 Ų134155.7 Ų155.772%0.71782%0.823SS**  trans61.9116.8167-68.814.9000119.1
389Q28.1Very low27.4Very low181 Ų181153 Ų15385%0.84682%0.82SS**  -166.5137.4126.2-110.7173.88.100110.8
390P24.1Very low27.3Very low109 Ų109153.9 Ų153.971%0.70883%0.83SS**PPolyproline II helixtrans-78.9149.6162.433.7-32.6000110.1R392P390-R392 PolarHBondContact O-N 3.17Å
391P33.6Very low27.3Very low137 Ų137149.8 Ų149.889%0.8983%0.825SS**PPolyproline II helixtrans-63.6129.1178.426.3-33.3000110.7
392R29.1Very low27.2Very low228 Ų228147.9 Ų147.986%0.8682%0.818SS**PPolyproline II helixtrans-99.9143178-173.3-179.9-65.5-149.2-2109.3P390P390-R392 PolarHBondContact O-N 3.17Å
393Q24.7Very low27.1Very low189 Ų189149.2 Ų149.288%0.88382%0.822SS**PPolyproline II helixtrans-52.3143.1177.4-67.4171.5-3000112.7
394L30.5Very low26.9Very low176 Ų176149.6 Ų149.692%0.92182%0.817SS**  trans-131.3135.8164.4-75.1175.2000109.5
395S24.2Very low26.9Very low111 Ų111149.7 Ų149.778%0.77682%0.818SS**  trans-172.1158-178.5-178.90000107.1
396P28Very low26.5Very low129 Ų129144 Ų14484%0.83881%0.812SS**  cis-116.4178.1-6.320.22.7000113
397G27.7Very low26.4Very low75 Ų75141 Ų14177%0.77381%0.813SS**  trans-157.884.6176.500000113.7
398S26.3Very low26.3Very low137 Ų137136.3 Ų136.396%0.95881%0.808SS**  trans-50.3132.3-177.9-174.30000115
399G25.5Very low26.1Very low66 Ų66137.3 Ų137.368%0.6881%0.813SS**  trans175.361.3177.200000119.4
400V27.7Very low25.9Very low155 Ų155133.3 Ų133.394%0.93981%0.805SS**  trans45.1113.1149.8-166.40000119.8
401G24.5Very low25.9Very low69 Ų69138.6 Ų138.671%0.71181%0.812SS**  trans157.3123.9156.800000116.6
402S26.8Very low25.5Very low105 Ų105140.2 Ų140.273%0.73481%0.808SS**  trans25.690.7160.657.30000119.7I404S402-I404 PolarHBondContact O-N 3.21Å; S402-I404 VanDerWaalsContact O-N 3.17Å
403T23.4Very low25.5Very low127 Ų127138.7 Ų138.778%0.77981%0.811SS**  trans35.667.2134.355.30000118.6
404I26.1Very low25.7Very low154 Ų154137.3 Ų137.379%0.7980%0.804SS**  trans-91108.4151.6-62.4175.5000106.8S402 S406S402-I404 PolarHBondContact O-N 3.21Å; S402-I404 VanDerWaalsContact O-N 3.17Å; I404-S406 PolarHBondContact O-N 2.88Å
405F26.7Very low26Very low195 Ų195133.5 Ų133.586%0.85578%0.784SS**  trans-68.4119-179.9-102.9-85.9000110.4
406S20.5Very low26.8Very low104 Ų104132.5 Ų132.573%0.72777%0.77SS**  trans-95.8107.8-179.6-60.10000110.3I404I404-S406 PolarHBondContact O-N 2.88Å
407L26.3Very low27.4Very low169 Ų169132.1 Ų132.189%0.88576%0.759SS**  trans-111.4110.8159.9-81.2170.8000108.9
408T21.4Very low27.8Very low112 Ų112136 Ų13669%0.68776%0.757SS**  trans-97.9154.4164.749.90000107.9
409N23.4Very low28.6Very low155 Ų155134.4 Ų134.483%0.82973%0.73SS**  trans69.7121.4-174-31.5-74.7000111.5
410S23Very low29.4Very low97 Ų97135.4 Ų135.468%0.67872%0.716SS**  cis-146.2164.136.451.50000114.5
411Y23.8Very low30.3Very low221 Ų221131 Ų13187%0.86769%0.686SS**SBendtrans-67.1159.9150.2-65-91.4000108.6
412E25.8Very low31.2Very low171 Ų171130.4 Ų130.480%0.79967%0.671SS**  trans71.463-168.8-34.4-74.6164.700112.8
413E29.3Very low31.8Very low195 Ų195126.4 Ų126.491%0.91164%0.644SS**  trans-97.495.4150.5-169.9145.7-136.100106.2L415E413-L415 PolarHBondContact O-N 3.03Å; E413-L415 VanDerWaalsContact O-N 3.17Å
414E29.1Very low32.9Very low161 Ų161123.2 Ų123.275%0.75262%0.622SS**  trans-77.2100.9-173.3-173.1165.8-158.500108.4D416E414-D416 PolarHBondContact O-N 2.68Å
415L36.5Very low33.8Very low95 Ų95120.1 Ų120.150%0.49760%0.603SS.*  trans-40.5115.8173.4-107.7168.6000109.3E413 M417 E539E413-L415 PolarHBondContact O-N 3.03Å; E413-L415 VanDerWaalsContact O-N 3.17Å; L415-M417 VanDerWaalsContact C-N 3.29Å; L415-M417 PolarHBondContact O-N 3.39Å; L415-E539 HydrophobicContact CD1-CG 4.36Å
416D41.3Very low34.4Very low90 Ų90117 Ų11748%0.48160%0.596SS.*  trans-69.788.5-171-174.7-12000110E414 E418 R419 F420E414-D416 PolarHBondContact O-N 2.68Å; D416-E418 PolarHBondContact O-N 3.17Å; D416-E418 WeakPolarHBondContact OD1-CA 3.31Å; D416-E418 WeakPolarHBondContact OD1-CB 3.26Å; D416-E418 PolarHBondContact OD1-N 3.39Å; D416-R419 HydrophobicContact CB-CB 3.83Å; D416-R419 PolarHBondContact O-N 3.48Å; D416-R419 VanDerWaalsContact O-N 3.11Å; D416-R419 PolarHBondContact OD1-N 2.88Å; D416-R419 WeakPolarHBondContact OD2-CB 3.38Å; D416-F420 PolarHBondContact O-N 2.7Å
417M39.4Very low35.3Very low121 Ų121114.6 Ų114.660%0.59657%0.574SS**Hα-helixtrans-62.1-27.4179.1-73177.9-78.500111.2L415 L421L415-M417 VanDerWaalsContact C-N 3.29Å; L415-M417 PolarHBondContact O-N 3.39Å; M417-L421 WeakPolarHBondContact O-CB 3.45Å; M417-L421 WeakPolarHBondContact O-CD1 3.06Å; M417-L421 WeakPolarHBondContact O-CG 3.44Å; M417-L421 PolarHBondContact O-N 2.94Å
418E36.8Very low35.9Very low156 Ų156107.1 Ų107.173%0.72954%0.537SS*.Hα-helixtrans-73-40.6174-62.1-166.2167.900110.7D416 S422D416-E418 PolarHBondContact O-N 3.17Å; D416-E418 WeakPolarHBondContact OD1-CA 3.31Å; D416-E418 WeakPolarHBondContact OD1-CB 3.26Å; D416-E418 PolarHBondContact OD1-N 3.39Å; E418-S422 WeakPolarHBondContact O-CA 3.46Å; E418-S422 WeakPolarHBondContact O-CB 3.44Å; E418-S422 PolarHBondContact O-N 3.18Å; E418-S422 PolarHBondContact O-OG 2.68Å
419R43.5Very low36.6Very low105 Ų105109 Ų10940%0.39654%0.538SS..Hα-helixtrans-66.2-43.4172.5-174.8177.6-178.4-133.35.6112.4D416 S422 A423 E550D416-R419 HydrophobicContact CB-CB 3.83Å; D416-R419 PolarHBondContact O-N 3.48Å; D416-R419 VanDerWaalsContact O-N 3.11Å; D416-R419 PolarHBondContact OD1-N 2.88Å; D416-R419 WeakPolarHBondContact OD2-CB 3.38Å; R419-S422 PolarHBondContact O-N 2.88Å; R419-A423 WeakPolarHBondContact O-CB 3.48Å; R419-A423 PolarHBondContact O-N 3.01Å; R419-E550 IonicContact CZ-OE1 2.81Å; R419-E550 IonicContact NH2-OE1 3.57Å; R419-E550 PolarHBondContact NH2-OE1 2.79Å; R419-E550 IonicContact NH2-OE2 2.74Å; R419-E550 PolarHBondContact NH2-OE2 2.87Å; R419-E550 VanDerWaalsContact NH2-OE2 3.08Å
420F42Very low37.2Very low87 Ų87106.8 Ų106.838%0.38252%0.523SS..Hα-helixtrans-64.9-49176.8176.5-97.7000111.8D416 S422 A423 L424 I542D416-F420 PolarHBondContact O-N 2.7Å; F420-S422 VanDerWaalsContact C-N 3.32Å; F420-S422 PolarHBondContact O-N 3.01Å; F420-A423 PolarHBondContact O-N 3.07Å; F420-L424 HydrophobicContact CE1-CD2 4.23Å; F420-L424 WeakPolarHBondContact O-CB 3.08Å; F420-L424 PolarHBondContact O-N 2.84Å; F420-I542 HydrophobicContact CD2-CG2 4.28Å; F420-I542 HydrophobicContact CE2-CD1 4.39Å
421L46.4Very low38Very low61 Ų61104.3 Ų104.332%0.31950%0.504SS..Hα-helixtrans-64.2-38.4176.6-70.8171.7000111.1M417 L424 F425M417-L421 WeakPolarHBondContact O-CB 3.45Å; M417-L421 WeakPolarHBondContact O-CD1 3.06Å; M417-L421 WeakPolarHBondContact O-CG 3.44Å; M417-L421 PolarHBondContact O-N 2.94Å; L421-L424 PolarHBondContact O-N 3.16Å; L421-F425 HydrophobicContact CB-CD2 4.23Å; L421-F425 HydrophobicContact CB-CE2 3.79Å; L421-F425 HydrophobicContact CB-CZ 4.32Å; L421-F425 HydrophobicContact CD2-CE2 4.32Å; L421-F425 HydrophobicContact CD2-CZ 4Å; L421-F425 WeakPolarHBondContact O-CB 3.4Å; L421-F425 WeakPolarHBondContact O-CD2 3.29Å; L421-F425 WeakPolarHBondContact O-CG 3.32Å; L421-F425 PolarHBondContact O-N 3.39Å
422S43Very low38.5Very low57 Ų5794.7 Ų94.740%0.39947%0.47SS..Hα-helixtrans-64.6-43174.7-66.50000112.3E418 R419 F420 L424 F425 N426E418-S422 WeakPolarHBondContact O-CA 3.46Å; E418-S422 WeakPolarHBondContact O-CB 3.44Å; E418-S422 PolarHBondContact O-N 3.18Å; E418-S422 PolarHBondContact O-OG 2.68Å; R419-S422 PolarHBondContact O-N 2.88Å; F420-S422 VanDerWaalsContact C-N 3.32Å; F420-S422 PolarHBondContact O-N 3.01Å; S422-L424 VanDerWaalsContact C-N 3.34Å; S422-L424 PolarHBondContact O-N 3.17Å; S422-F425 PolarHBondContact O-N 3.46Å; S422-N426 WeakPolarHBondContact O-CB 3.36Å; S422-N426 PolarHBondContact O-N 3.33Å; S422-N426 PolarHBondContact O-ND2 2.76Å
423A40.5Very low39Very low21 Ų2190.6 Ų90.617%0.17446%0.456CS..Hα-helixtrans-61.2-44.2174.100000111.3R419 F420 N427 L546R419-A423 WeakPolarHBondContact O-CB 3.48Å; R419-A423 PolarHBondContact O-N 3.01Å; F420-A423 PolarHBondContact O-N 3.07Å; A423-N427 PolarHBondContact O-N 2.88Å; A423-L546 HydrophobicContact CB-CD2 4.2Å
424L47Very low39.2Very low60 Ų6087.4 Ų87.431%0.31444%0.436SS..Hα-helixtrans-66.4-33.1177.7-170.369.6000113F420 L421 S422 A428F420-L424 HydrophobicContact CE1-CD2 4.23Å; F420-L424 WeakPolarHBondContact O-CB 3.08Å; F420-L424 PolarHBondContact O-N 2.84Å; L421-L424 PolarHBondContact O-N 3.16Å; S422-L424 VanDerWaalsContact C-N 3.34Å; S422-L424 PolarHBondContact O-N 3.17Å; L424-A428 WeakPolarHBondContact O-CA 3.06Å; L424-A428 WeakPolarHBondContact O-CB 3.09Å; L424-A428 PolarHBondContact O-N 3.3Å
425F44.2Very low39.5Very low90 Ų9084 Ų8440%0.39542%0.422SS..Hα-helixtrans-84.6-33.1177.4-63-33.4000113.2M1 L421 S422M1-F425 HydrophobicContact CE-CE1 3.72Å; M1-F425 HydrophobicContact CE-CE2 4.04Å; M1-F425 HydrophobicContact CE-CZ 3.36Å; M1-F425 HydrophobicContact CG-CE1 4.18Å; L421-F425 HydrophobicContact CB-CD2 4.23Å; L421-F425 HydrophobicContact CB-CE2 3.79Å; L421-F425 HydrophobicContact CB-CZ 4.32Å; L421-F425 HydrophobicContact CD2-CE2 4.32Å; L421-F425 HydrophobicContact CD2-CZ 4Å; L421-F425 WeakPolarHBondContact O-CB 3.4Å; L421-F425 WeakPolarHBondContact O-CD2 3.29Å; L421-F425 WeakPolarHBondContact O-CG 3.32Å; L421-F425 PolarHBondContact O-N 3.39Å; S422-F425 PolarHBondContact O-N 3.46Å
426N39.4Very low39.4Very low130 Ų13083.4 Ų83.470%0.69542%0.419SS*.Hα-helixtrans-79.1-41.2-178.4-68.2-18.4000112.5S422S422-N426 WeakPolarHBondContact O-CB 3.36Å; S422-N426 PolarHBondContact O-N 3.33Å; S422-N426 PolarHBondContact O-ND2 2.76Å
427N40.1Very low39Very low52 Ų5281.5 Ų81.528%0.27842%0.416SS..SBendtrans-106.118.6-179.2-69-49.9000113.1A423 E429 Q430 V431 L549A423-N427 PolarHBondContact O-N 2.88Å; N427-E429 VanDerWaalsContact C-N 3.3Å; N427-E429 PolarHBondContact O-N 3.05Å; N427-E429 VanDerWaalsContact O-N 3.17Å; N427-Q430 PolarHBondContact O-N 3.49Å; N427-V431 PolarHBondContact O-N 3.26Å; N427-V431 VanDerWaalsContact O-N 3.17Å; N427-L549 HydrophobicContact CB-CD2 4.16Å
428A37.8Very low38.8Very low13 Ų1379.2 Ų79.211%0.10740%0.404CS..Hα-helixtrans-47.6-48.7-172.300000113.2Y4 L424 Q430 V431 A432Y4-A428 HydrophobicContact CE1-CB 3.74Å; Y4-A428 VanDerWaalsContact CE1-O 3.29Å; Y4-A428 WeakPolarHBondContact CE1-O 3.48Å; Y4-A428 HydrophobicContact CE2-CB 3.91Å; Y4-A428 VanDerWaalsContact OH-CB 3.32Å; Y4-A428 WeakPolarHBondContact OH-CB 3.11Å; Y4-A428 PolarHBondContact OH-O 3.25Å; L424-A428 WeakPolarHBondContact O-CA 3.06Å; L424-A428 WeakPolarHBondContact O-CB 3.09Å; L424-A428 PolarHBondContact O-N 3.3Å; A428-Q430 VanDerWaalsContact C-N 3.33Å; A428-Q430 PolarHBondContact O-N 3.06Å; A428-V431 PolarHBondContact O-N 3.28Å; A428-A432 PolarHBondContact O-N 2.8Å
429E35.7Very low38.7Very low151 Ų15174.7 Ų74.771%0.70639%0.387SS*.Hα-helixtrans-63.8-37.2-176.6-174.2173.8-169.700112.2Y4 N427 T433Y4-E429 WeakPolarHBondContact OH-CA 3.14Å; Y4-E429 PolarHBondContact OH-N 3.17Å; Y4-E429 VanDerWaalsContact OH-N 3.16Å; N427-E429 VanDerWaalsContact C-N 3.3Å; N427-E429 PolarHBondContact O-N 3.05Å; N427-E429 VanDerWaalsContact O-N 3.17Å; E429-T433 WeakPolarHBondContact O-CB 3.32Å; E429-T433 PolarHBondContact O-N 2.9Å; E429-T433 PolarHBondContact O-OG1 3.01Å
430Q35.9Very low38.1Very low109 Ų10970.5 Ų70.551%0.50938%0.377SS..Hα-helixtrans-70.2-38.9176.8-59.6-173.723.500111.5N427 A428 T433 R434N427-Q430 PolarHBondContact O-N 3.49Å; A428-Q430 VanDerWaalsContact C-N 3.33Å; A428-Q430 PolarHBondContact O-N 3.06Å; Q430-T433 PolarHBondContact O-N 2.69Å; Q430-R434 PolarHBondContact O-N 3.02Å
431V41.1Very low37.5Very low45 Ų4571.4 Ų71.427%0.27338%0.384SS..Hα-helixtrans-64.5-49.6176.6177.20000110.7N427 A428 T433 R434 I435N427-V431 PolarHBondContact O-N 3.26Å; N427-V431 VanDerWaalsContact O-N 3.17Å; A428-V431 PolarHBondContact O-N 3.28Å; V431-T433 VanDerWaalsContact C-N 3.31Å; V431-T433 PolarHBondContact O-N 3.16Å; V431-R434 PolarHBondContact O-N 3.36Å; V431-I435 HydrophobicContact CG1-CD1 3.94Å; V431-I435 VanDerWaalsContact O-CG1 3.31Å; V431-I435 WeakPolarHBondContact O-CG1 3.22Å; V431-I435 PolarHBondContact O-N 2.89Å; V431-I435 VanDerWaalsContact O-N 3.1Å
432A34.5Very low36.8Very low18 Ų1874.3 Ų74.315%0.14940%0.4CS..Hα-helixtrans-65.4-32.9175.100000112.7Y4 A428 N436Y4-A432 HydrophobicContact CD1-CB 4.24Å; Y4-A432 HydrophobicContact CE1-CB 3.56Å; A428-A432 PolarHBondContact O-N 2.8Å; A432-N436 VanDerWaalsContact O-CB 3.24Å; A432-N436 WeakPolarHBondContact O-CB 3.2Å; A432-N436 PolarHBondContact O-N 3.15Å; A432-N436 PolarHBondContact O-ND2 3.42Å
433T35.2Very low36.2Very low85 Ų8576.2 Ų76.252%0.52141%0.409SS..Hα-helixtrans-71.6-40.6177.7-60.40000111.9E429 Q430 V431 A437E429-T433 WeakPolarHBondContact O-CB 3.32Å; E429-T433 PolarHBondContact O-N 2.9Å; E429-T433 PolarHBondContact O-OG1 3.01Å; Q430-T433 PolarHBondContact O-N 2.69Å; V431-T433 VanDerWaalsContact C-N 3.31Å; V431-T433 PolarHBondContact O-N 3.16Å; T433-A437 WeakPolarHBondContact O-CB 3.34Å; T433-A437 PolarHBondContact O-N 3Å
434R34.5Very low35.6Very low128 Ų12885.5 Ų85.548%0.48344%0.439SS..Hα-helixtrans-58.6-52.7171.3-98.1175.8157.5178.4-11.7110.9Q430 V431 N436 A437 E438 D548Q430-R434 PolarHBondContact O-N 3.02Å; V431-R434 PolarHBondContact O-N 3.36Å; R434-N436 PolarHBondContact O-N 3.18Å; R434-A437 PolarHBondContact O-N 3.39Å; R434-E438 PolarHBondContact O-N 2.97Å; R434-E438 VanDerWaalsContact O-N 3.13Å; R434-D548 IonicContact CZ-OD2 3.86Å; R434-D548 IonicContact NH1-OD2 3.93Å; R434-D548 PolarHBondContact NH1-OD2 2.62Å; R434-D548 IonicContact NH2-OD2 2.71Å; R434-D548 PolarHBondContact NH2-OD2 3.1Å
435I34.9Very low34.6Very low90 Ų9089 Ų8946%0.46246%0.458SS..Hα-helixtrans-58.7-46.6179.8-66.1167000111.6V431 V439V431-I435 HydrophobicContact CG1-CD1 3.94Å; V431-I435 VanDerWaalsContact O-CG1 3.31Å; V431-I435 WeakPolarHBondContact O-CG1 3.22Å; V431-I435 PolarHBondContact O-N 2.89Å; V431-I435 VanDerWaalsContact O-N 3.1Å; I435-V439 WeakPolarHBondContact O-CB 3.08Å; I435-V439 WeakPolarHBondContact O-CG2 3.41Å; I435-V439 PolarHBondContact O-N 3.25Å; I435-V439 VanDerWaalsContact O-N 3.15Å
436N33.7Very low33.8Very low82 Ų8289.7 Ų89.744%0.43947%0.474SS..Hα-helixtrans-77.2-22.5-179.2-71.5-54000113.8A432 R434 G440A432-N436 VanDerWaalsContact O-CB 3.24Å; A432-N436 WeakPolarHBondContact O-CB 3.2Å; A432-N436 PolarHBondContact O-N 3.15Å; A432-N436 PolarHBondContact O-ND2 3.42Å; R434-N436 PolarHBondContact O-N 3.18Å; N436-G440 VanDerWaalsContact O-CA 3.3Å; N436-G440 WeakPolarHBondContact O-CA 3.13Å; N436-G440 PolarHBondContact O-N 3.22Å
437A34.5Very low33.2Very low50 Ų5090.3 Ų90.341%0.41348%0.477SS..Hα-helixtrans-69.4-48.4172.200000110.8T433 R434 G440 I441T433-A437 WeakPolarHBondContact O-CB 3.34Å; T433-A437 PolarHBondContact O-N 3Å; R434-A437 PolarHBondContact O-N 3.39Å; A437-G440 WeakPolarHBondContact O-CA 3.5Å; A437-G440 PolarHBondContact O-N 3.35Å; A437-G440 VanDerWaalsContact O-N 3.15Å; A437-I441 WeakPolarHBondContact O-CG1 3.34Å; A437-I441 PolarHBondContact O-N 2.91Å
438E34.9Very low32.5Very low73 Ų7392.9 Ų92.934%0.34150%0.499SS..Hα-helixtrans-66.3-40.7179.7-69-179.2-154.400112.3R434 G440 W528R434-E438 PolarHBondContact O-N 2.97Å; R434-E438 VanDerWaalsContact O-N 3.13Å; E438-G440 VanDerWaalsContact C-N 3.33Å; E438-W528 PolarHBondContact OE2-NE1 2.98Å; E438-W528 VanDerWaalsContact OE2-NE1 3.16Å
439V34.5Very low31.9Very low61 Ų61103 Ų10337%0.3754%0.536SS..Hα-helixtrans-70.8-29.7172176.90000112I435 L442 T443I435-V439 WeakPolarHBondContact O-CB 3.08Å; I435-V439 WeakPolarHBondContact O-CG2 3.41Å; I435-V439 PolarHBondContact O-N 3.25Å; I435-V439 VanDerWaalsContact O-N 3.15Å; V439-L442 PolarHBondContact O-N 3.06Å; V439-T443 PolarHBondContact O-N 2.99Å; V439-T443 PolarHBondContact O-OG1 3.09Å
440G29.9Very low31.4Very low18 Ų18102 Ų10219%0.18654%0.536CS..Hα-helixtrans-68-35.6176.100000113.6N436 A437 E438 L442 T443 R444N436-G440 VanDerWaalsContact O-CA 3.3Å; N436-G440 WeakPolarHBondContact O-CA 3.13Å; N436-G440 PolarHBondContact O-N 3.22Å; A437-G440 WeakPolarHBondContact O-CA 3.5Å; A437-G440 PolarHBondContact O-N 3.35Å; A437-G440 VanDerWaalsContact O-N 3.15Å; E438-G440 VanDerWaalsContact C-N 3.33Å; G440-L442 VanDerWaalsContact C-N 3.35Å; G440-T443 WeakPolarHBondContact CA-OG1 3.42Å; G440-T443 PolarHBondContact O-N 3.27Å; G440-T443 PolarHBondContact O-OG1 2.82Å; G440-R444 WeakPolarHBondContact O-CG 3.45Å; G440-R444 PolarHBondContact O-N 3.3Å; G440-R444 VanDerWaalsContact O-N 3.09Å
441I30.5Very low30.8Very low105 Ų105105.1 Ų105.154%0.53855%0.55SS.*Hα-helixtrans-64.8-40.8174.6-69.9160.6000110.5A437 T443A437-I441 WeakPolarHBondContact O-CG1 3.34Å; A437-I441 PolarHBondContact O-N 2.91Å; I441-T443 VanDerWaalsContact C-N 3.29Å; I441-T443 PolarHBondContact O-N 3.41Å
442L30.6Very low30.1Very low123 Ų123109.8 Ų109.864%0.64457%0.574SS**Hα-helixtrans-68.4-22.8176.6-77.9164.4000114.2V439 G440V439-L442 PolarHBondContact O-N 3.06Å; G440-L442 VanDerWaalsContact C-N 3.35Å
443T31.6Very low29.8Very low96 Ų96114.6 Ų114.659%0.58961%0.607SS**Hα-helixtrans-102-13.6-176.545.50000114.4V439 G440 I441V439-T443 PolarHBondContact O-N 2.99Å; V439-T443 PolarHBondContact O-OG1 3.09Å; G440-T443 WeakPolarHBondContact CA-OG1 3.42Å; G440-T443 PolarHBondContact O-N 3.27Å; G440-T443 PolarHBondContact O-OG1 2.82Å; I441-T443 VanDerWaalsContact C-N 3.29Å; I441-T443 PolarHBondContact O-N 3.41Å
444R27.4Very low29.4Very low216 Ų216118.2 Ų118.282%0.81562%0.623SS**Hα-helixtrans-87.5-15.3176.2-77.2-179.6173.2166.80.4115G440 S446G440-R444 WeakPolarHBondContact O-CG 3.45Å; G440-R444 PolarHBondContact O-N 3.3Å; G440-R444 VanDerWaalsContact O-N 3.09Å; R444-S446 PolarHBondContact O-N 2.89Å
445N26.5Very low28.8Very low133 Ų133122.4 Ų122.471%0.71164%0.638SS**  trans-80.254.1170.9-82.3-20.1000112.4L447N445-L447 PolarHBondContact O-N 3.07Å
446S26.4Very low28.5Very low105 Ų105124.6 Ų124.673%0.73466%0.66SS**  trans-74.558164.865.50000110.3R444 S448R444-S446 PolarHBondContact O-N 2.89Å; S446-S448 PolarHBondContact O-N 3.49Å; S446-S448 VanDerWaalsContact O-N 3.13Å
447L26.5Very low28.1Very low144 Ų144126.1 Ų126.175%0.75467%0.668SS**  trans-67.5112.6177.9-144.181.4000108.1N445 Y449N445-L447 PolarHBondContact O-N 3.07Å; L447-Y449 PolarHBondContact O-N 2.99Å
448S26.4Very low27.7Very low106 Ų106132.7 Ų132.774%0.74168%0.682SS**  trans-60.5105.1-177.555.10000110.2S446 N450S446-S448 PolarHBondContact O-N 3.49Å; S446-S448 VanDerWaalsContact O-N 3.13Å; S448-N450 VanDerWaalsContact C-N 3.26Å; S448-N450 PolarHBondContact O-N 3.42Å
449Y24.2Very low27.3Very low224 Ų224135.3 Ų135.388%0.87871%0.706SS**  trans-70.286.8174.1-116.6-93.6000109.2L447 E451L447-Y449 PolarHBondContact O-N 2.99Å; Y449-E451 PolarHBondContact O-N 2.89Å; Y449-E451 VanDerWaalsContact O-N 3.16Å
450N25.3Very low26.8Very low131 Ų131138.7 Ų138.770%0.70172%0.718SS**  trans-74.6102.1176.8-175.516.6000108.8S448 N452S448-N450 VanDerWaalsContact C-N 3.26Å; S448-N450 PolarHBondContact O-N 3.42Å; N450-N452 PolarHBondContact O-N 3.23Å
451E24.7Very low26.8Very low175 Ų175144.3 Ų144.382%0.81875%0.749SS**SBendtrans-65.679.9170.2-68.4-166.6145.300110.5Y449Y449-E451 PolarHBondContact O-N 2.89Å; Y449-E451 VanDerWaalsContact O-N 3.16Å
452N24.6Very low26.5Very low142 Ų142144 Ų14476%0.75975%0.751SS**  trans172.794.9150.3-96.2-59.6000111.8N450N450-N452 PolarHBondContact O-N 3.23Å
453S29.5Very low26.3Very low120 Ų120146.2 Ų146.284%0.83976%0.764SS**  trans177.5153.1136.737.70000111.5
454N25.7Very low25.8Very low161 Ų161147.2 Ų147.286%0.86177%0.77SS**  trans-82.2149.7177.9-66.9-67.9000111.8
455R23.5Very low25.8Very low216 Ų216148.1 Ų148.182%0.81578%0.775SS**  trans70.2101.5145.3-170.8-167.8-173.4-158.74.1118.1
456C27.2Very low25.5Very low135 Ų135150.2 Ų150.291%0.91278%0.781SS**  trans-142151.1137.1-98.60000108.6
457D26.2Very low25.5Very low114 Ų114153.2 Ų153.261%0.6179%0.787SS**  trans-116.5156.7-166.7-61.6-70.5000113
458W25Very low25.4Very low188 Ų188151.3 Ų151.371%0.71278%0.781SS**  trans73.4161.5152.2-70.3135.5000119.8E460W458-E460 HydrophobicContact CE3-CB 3.79Å; W458-E460 HydrophobicContact CH2-CB 4.34Å; W458-E460 HydrophobicContact CH2-CG 4.46Å; W458-E460 WeakPolarHBondContact CH2-OE1 3.43Å; W458-E460 HydrophobicContact CZ3-CB 3.55Å; W458-E460 HydrophobicContact CZ3-CG 3.87Å
459P26.7Very low25.4Very low129 Ų129151.5 Ų151.584%0.83878%0.782SS**  cis-115.6166.112.940.7-29000118.4
460E25.3Very low25.4Very low131 Ų131147.3 Ų147.361%0.61277%0.774SS**  trans-103.5146.8-176.4-156.1174.4-125.500111.3W458W458-E460 HydrophobicContact CE3-CB 3.79Å; W458-E460 HydrophobicContact CH2-CB 4.34Å; W458-E460 HydrophobicContact CH2-CG 4.46Å; W458-E460 WeakPolarHBondContact CH2-OE1 3.43Å; W458-E460 HydrophobicContact CZ3-CB 3.55Å; W458-E460 HydrophobicContact CZ3-CG 3.87Å
461T28.8Very low25.5Very low137 Ų137150.3 Ų150.384%0.8478%0.783SS**  trans-134.969.7161.337.10000111.8
462T24Very low25.5Very low97 Ų97147.2 Ų147.260%0.59578%0.781SS**  trans37109.514158.60000119
463N26.5Very low25.7Very low171 Ų171145.6 Ų145.691%0.91478%0.781SS**  trans-138.1119.5136.2-102.4-58.2000109.5
464T22.5Very low25.6Very low116 Ų116146.7 Ų146.771%0.71278%0.777SS**  trans-85127.8-161.446.50000114.1
465Y25.5Very low25.8Very low235 Ų235145 Ų14592%0.92277%0.768SS**  trans-141.7113147.5-76.6-75.1000110
466E22Very low26.2Very low178 Ų178141.4 Ų141.483%0.83277%0.765SS**  trans-69.7138.9170.7-58.6175.79800110.7
467I25.5Very low26.3Very low168 Ų168141.9 Ų141.986%0.86276%0.759SS**  -143.5125.6124.3-63.3-165.3000109.3
468V24.3Very low26.5Very low104 Ų104142.5 Ų142.563%0.6376%0.762SS**  trans-57.3138.9175.4174.70000113.9I470V468-I470 HydrophobicContact CG1-CG1 4.33Å
469S26.2Very low26.7Very low109 Ų109139.1 Ų139.176%0.76276%0.758SS**  trans-165.188143.6-85.10000114.4
470I25.2Very low27Very low137 Ų137139.4 Ų139.470%0.70375%0.752SS**  trans24.4118.9133.9-49.7169.4000117.4V468 S472V468-I470 HydrophobicContact CG1-CG1 4.33Å; I470-S472 WeakPolarHBondContact CG2-OG 3.46Å
471H27.5Very low27.2Very low193 Ų193138.8 Ų138.889%0.89475%0.753SS**  trans-106.1149.1150.2-93.555.2000109.9
472S24.8Very low27.3Very low110 Ų110138.2 Ų138.277%0.76975%0.745SS**  trans-135.4109-176.4-61.50000113.5I470I470-S472 WeakPolarHBondContact CG2-OG 3.46Å
473S28.3Very low27.5Very low109 Ų109141.7 Ų141.776%0.76275%0.754SS**  trans-160.3124149.756.50000106.7
474N27.3Very low27.4Very low143 Ų143139.5 Ų139.577%0.76575%0.753SS**  46.8123.378.7-71.35.7000111.8
475N29.6Very low27.6Very low124 Ų124143 Ų14366%0.66376%0.761SS**  cis-154.3159.618.5-108.9-5.6000114
476N31.5Very low27.9Very low142 Ų142136.3 Ų136.376%0.75975%0.746SS**  trans67.3104.8151.7-60.2-2.6000120.3
477N29.3Very low28.1Very low145 Ų145133.3 Ų133.378%0.77574%0.74SS**  trans-27.1145.5137.1-49.2-11000113
478N30.5Very low28.1Very low127 Ų127130.5 Ų130.568%0.67973%0.731SS**  -157.7142.170.7-105.340.5000114.3
479D30.6Very low28.2Very low117 Ų117130.9 Ų130.963%0.62673%0.733SS**  trans57.4133136.6-56.2-18.2000124
480N31.3Very low28.2Very low134 Ų134132.9 Ų132.972%0.71774%0.736SS**  trans65.6121.7146.7-62.5-32.5000118.1
481N29.6Very low28.3Very low119 Ų119130.7 Ų130.764%0.63674%0.738SS**  cis177.9153.517.2-113.7-30.6000108.7
482N31.2Very low28.3Very low124 Ų124126.9 Ų126.966%0.66373%0.733SS**  trans63.2145.7151.9-65.1-17.1000120.2
483Q28.7Very low28.5Very low170 Ų170127.1 Ų127.179%0.79473%0.734SS**  cis-168.4134.2-27.4-125.8175.19.900106.7
484S25.1Very low28.6Very low126 Ų126126.8 Ų126.888%0.88173%0.732SS**  trans-159.7109.6168.9-79.10000110.4
485Q26.8Very low28.7Very low188 Ų188124.7 Ų124.788%0.87973%0.729SS**  trans-152.5156177.8-96.9-99-46.300107.9
486P30.5Very low28.7Very low96 Ų96123.7 Ų123.762%0.62373%0.732SS**  -139.3-152.4-127.736.4-13.9000113.9
487V25.8Very low28.6Very low114 Ų114122 Ų12269%0.69173%0.731SS**  trans84.299144158.70000119.4
488T25.8Very low28.4Very low109 Ų109120.7 Ų120.767%0.66973%0.733SS**  72.8143.5126.667.30000125.9
489T26.1Very low28.3Very low112 Ų112120.6 Ų120.669%0.68774%0.742SS**  91.2135.3128.739.80000125.1
490N26.6Very low28Very low152 Ų152120 Ų12081%0.81375%0.748SS**  trans102156.9130.4-79.6-11000122.7
491A27.2Very low27.8Very low91 Ų91121.8 Ų121.875%0.75276%0.756SS**  trans84.2131.2176.900000117.5
492S27Very low27.5Very low113 Ų113121.3 Ų121.379%0.7976%0.762SS**  cis139.3117.9-26.265.70000111.6
493S29.4Very low27.3Very low114 Ų114120.9 Ų120.980%0.79777%0.769SS**  trans-174.9146.8151.552.50000113.4
494S31Very low27.1Very low103 Ų103119.7 Ų119.772%0.7277%0.773SS**  trans29.9144.4145.757.70000123
495S29.3Very low27.1Very low99 Ų99117.1 Ų117.169%0.69277%0.767SS**  cis-178.5155-11490000112
496S29Very low27Very low103 Ų103115 Ų11572%0.7277%0.766SS**  trans66.4145.7144.362.50000122.6
497S29.9Very low26.8Very low107 Ų107119.9 Ų119.975%0.74878%0.778SS**  trans90.677.7150.1-55.10000120.1
498S24.2Very low26.5Very low117 Ų117121.7 Ų121.782%0.81878%0.783SS**  trans-7.8136.3135.1560000119.8
499S29.3Very low26.5Very low124 Ų124122 Ų12287%0.86779%0.789SS**  -156.9142.8128.153.10000111.7
500S23.8Very low26.3Very low106 Ų106123.2 Ų123.274%0.74180%0.797SS**  trans-93.9154.616450.40000109.6
501L28.1Very low26.1Very low170 Ų170120.3 Ų120.389%0.8979%0.788SS**  trans177.9160.9130.2-96.9161000112.1
502S23Very low26Very low110 Ų110126.3 Ų126.377%0.76980%0.798SS**  trans-91.6142.1-175.553.70000113.4
503S26.6Very low25.9Very low114 Ų114126.1 Ų126.180%0.79779%0.792SS**  trans-152.4126.3149.761.80000112.1
504T24.2Very low25.6Very low146 Ų146126.3 Ų126.390%0.89679%0.792SS**  trans-39.9131.5169.946.50000114.7
505G26.5Very low25.3Very low72 Ų72129.1 Ų129.174%0.74279%0.793SS**  trans-143.9106.4168.500000110.9
506V22.8Very low25Very low143 Ų143131.2 Ų131.287%0.86780%0.797SS**  trans-70.5129.7179.9-178.70000109.6L508V506-L508 HydrophobicContact CG1-CD1 4.39Å
507K26.7Very low24.9Very low199 Ų199135.3 Ų135.387%0.86580%0.802SS**  trans-145.3104.9176.3-151.9176.8-171.8-176.50110.9
508L21.1Very low24.6Very low151 Ų151137.5 Ų137.579%0.79181%0.805SS**  trans-67.1136.4162.2-73.773.6000108V506V506-L508 HydrophobicContact CG1-CD1 4.39Å
509S24.1Very low24.7Very low116 Ų116136.3 Ų136.381%0.81180%0.797SS**  trans-178.7137.2136.1-100.20000111.8
510T22.3Very low24.6Very low138 Ų138136.9 Ų136.985%0.84779%0.79SS**  trans-38.1133.8163.650.50000114.7
511S22.4Very low24.9Very low90 Ų90139.2 Ų139.263%0.62980%0.8SS**  trans153.8112.4140.2-178.50000111.4V513S511-V513 WeakPolarHBondContact OG-CG2 3.32Å; S511-V513 PolarHBondContact OG-N 2.86Å
512F25Very low25.1Very low218 Ų218134.5 Ų134.596%0.95678%0.781SS**  trans-106.385.8153.9-89.3-80.5000108.2
513V24.9Very low25.5Very low109 Ų109134.5 Ų134.566%0.66177%0.773SS**  trans-63.1140167.8149.30000109.3S511 Q515S511-V513 WeakPolarHBondContact OG-CG2 3.32Å; S511-V513 PolarHBondContact OG-N 2.86Å; V513-Q515 PolarHBondContact O-N 3.18Å
514C23.6Very low25.7Very low118 Ų118134.5 Ų134.580%0.79776%0.764SS**  trans-58.2109166.2-60.80000108.8
515Q24.9Very low26Very low162 Ų162134.2 Ų134.276%0.75775%0.754SS**  trans-92115179.9-161.4161.715.500108.5V513 F517V513-Q515 PolarHBondContact O-N 3.18Å; Q515-F517 WeakPolarHBondContact O-CD2 3.4Å; Q515-F517 PolarHBondContact O-N 3.48Å
516D23.3Very low26.3Very low143 Ų143136.6 Ų136.677%0.76575%0.746SS**  trans-64.997.2-171.2-65-59.6000112.4N518D516-N518 VanDerWaalsContact C-N 3.26Å; D516-N518 PolarHBondContact O-N 3.25Å
517F26.7Very low26.9Very low189 Ų189134.7 Ų134.783%0.82973%0.73SS**  trans-74.977.2172.3-86.6-84.3000111.5Q515 S519Q515-F517 WeakPolarHBondContact O-CD2 3.4Å; Q515-F517 PolarHBondContact O-N 3.48Å; F517-S519 PolarHBondContact O-N 3.05Å
518N24.1Very low27.1Very low152 Ų152131.2 Ų131.281%0.81371%0.712SS**  trans-72.8104.9159.9-74.3-61.3000110.1D516D516-N518 VanDerWaalsContact C-N 3.26Å; D516-N518 PolarHBondContact O-N 3.25Å
519S26Very low27.6Very low92 Ų92128.8 Ų128.864%0.64370%0.7SS**  trans-169.5121.3147.942.30000112.8F517F517-S519 PolarHBondContact O-N 3.05Å
520D26.5Very low28.3Very low137 Ų137127.5 Ų127.573%0.73368%0.684SS**  trans56.5134.7139.6-51.5-29.7000121.9S522D520-S522 PolarHBondContact O-N 2.87Å
521T30.5Very low29Very low154 Ų154125.4 Ų125.495%0.94566%0.66SS**SBendtrans-99.424.2-154.940.60000115.7
522S32.6Very low29.6Very low71 Ų71127.7 Ų127.750%0.49766%0.659SS.*SBendtrans-101.7-48.917842.70000113.8D520 N524 M525D520-S522 PolarHBondContact O-N 2.87Å; S522-N524 PolarHBondContact O-N 3.21Å; S522-M525 PolarHBondContact O-N 2.88Å
523D30.5Very low29.9Very low110 Ų110119.9 Ų119.959%0.58864%0.641SS**Hα-helixtrans-79.1-28.8-151.6-62.88.3000113.4M525 Q526 L527D523-M525 PolarHBondContact O-N 3.22Å; D523-Q526 WeakPolarHBondContact O-CA 3.36Å; D523-Q526 VanDerWaalsContact O-CB 3.24Å; D523-Q526 WeakPolarHBondContact O-CB 3.39Å; D523-Q526 PolarHBondContact O-N 3.09Å; D523-L527 PolarHBondContact O-N 2.96Å
524N30.9Very low30.3Very low114 Ų114120.1 Ų120.161%0.6164%0.637SS**Hα-helixtrans-66.6-19.5175.9-70.1-25.8000113.5S522S522-N524 PolarHBondContact O-N 3.21Å
525M31.2Very low30.7Very low141 Ų141124.2 Ų124.270%0.69564%0.641SS**Hα-helixtrans-85.5-19.5170.3-77.2-101.4-7200112.3S522 D523 N529S522-M525 PolarHBondContact O-N 2.88Å; D523-M525 PolarHBondContact O-N 3.22Å; M525-N529 PolarHBondContact O-N 3.41Å; M525-N529 PolarHBondContact O-ND2 3.4Å
526Q32.8Very low31.1Very low122 Ų122121.8 Ų121.857%0.5763%0.633SS**Hα-helixtrans-71.3-53.7174.2-157.970.137.500109.5D523 W528 N529 D530D523-Q526 WeakPolarHBondContact O-CA 3.36Å; D523-Q526 VanDerWaalsContact O-CB 3.24Å; D523-Q526 WeakPolarHBondContact O-CB 3.39Å; D523-Q526 PolarHBondContact O-N 3.09Å; Q526-W528 VanDerWaalsContact C-N 3.28Å; Q526-W528 PolarHBondContact O-N 2.92Å; Q526-N529 CarbonylContact O-C 3.59Å; Q526-N529 WeakPolarHBondContact O-CA 3.38Å; Q526-N529 PolarHBondContact O-N 3.23Å; Q526-D530 PolarHBondContact O-N 2.8Å
527L34.6Very low31.8Very low102 Ų102120.6 Ų120.653%0.53463%0.627SS.*Hα-helixtrans-50.2-43175.4-84.6156.4000113.5D523 N529 D530 W531D523-L527 PolarHBondContact O-N 2.96Å; L527-N529 VanDerWaalsContact C-N 3.32Å; L527-N529 PolarHBondContact O-N 3.27Å; L527-D530 PolarHBondContact O-N 3.07Å; L527-W531 WeakPolarHBondContact O-CB 3.35Å; L527-W531 PolarHBondContact O-N 3.23Å
528W31.5Very low32.4Very low126 Ų126115.8 Ų115.848%0.47761%0.609SS.*Hα-helixtrans-68.9-26178-109.566.4000114E438 Q526 F532E438-W528 PolarHBondContact OE2-NE1 2.98Å; E438-W528 VanDerWaalsContact OE2-NE1 3.16Å; Q526-W528 VanDerWaalsContact C-N 3.28Å; Q526-W528 PolarHBondContact O-N 2.92Å; W528-F532 HydrophobicContact CE3-CD2 4.46Å
529N31.9Very low33Very low100 Ų100113.7 Ų113.754%0.53560%0.595SS.*Hα-helixtrans-84.1-28.2171.3-76.5-81000112M525 Q526 L527 G533M525-N529 PolarHBondContact O-N 3.41Å; M525-N529 PolarHBondContact O-ND2 3.4Å; Q526-N529 CarbonylContact O-C 3.59Å; Q526-N529 WeakPolarHBondContact O-CA 3.38Å; Q526-N529 PolarHBondContact O-N 3.23Å; L527-N529 VanDerWaalsContact C-N 3.32Å; L527-N529 PolarHBondContact O-N 3.27Å; N529-G533 WeakPolarHBondContact O-CA 3.42Å; N529-G533 PolarHBondContact O-N 2.95Å
530D37.5Very low33.9Very low89 Ų89112.5 Ų112.548%0.47658%0.584SS.*Hα-helixtrans-73.4-34.4175.3-62.8-34.6000111.4Q526 L527 I534Q526-D530 PolarHBondContact O-N 2.8Å; L527-D530 PolarHBondContact O-N 3.07Å; D530-I534 WeakPolarHBondContact O-CD1 3.46Å
531W37.1Very low34.6Very low95 Ų95107.8 Ų107.836%0.3656%0.561SS.*Hα-helixtrans-76.5-27.4178.6-142.9-26.3000114.2L527L527-W531 WeakPolarHBondContact O-CB 3.35Å; L527-W531 PolarHBondContact O-N 3.23Å
532F35.5Very low35.2Very low137 Ų137101.8 Ų101.860%0.60152%0.523SS*.Hα-helixtrans-123.5-2.4-176.3-70.4-75.1000115.2W528W528-F532 HydrophobicContact CE3-CD2 4.46Å
533G32Very low35.9Very low55 Ų55102.9 Ų102.957%0.56752%0.523SS*.SBendtrans-97-11.9-179.800000114.7N529N529-G533 WeakPolarHBondContact O-CA 3.42Å; N529-G533 PolarHBondContact O-N 2.95Å
534I32.1Very low36.8Very low113 Ų113103.7 Ų103.758%0.57952%0.523SS*.SBendtrans-72.6142.3169.5-60.3177.2000108.4D530 D536D530-I534 WeakPolarHBondContact O-CD1 3.46Å; I534-D536 VanDerWaalsContact C-N 3.29Å; I534-D536 HydrophobicContact CG2-CB 4Å; I534-D536 WeakPolarHBondContact CG2-OD2 3.45Å; I534-D536 PolarHBondContact O-N 3.46Å
535K32.2Very low37.4Very low205 Ų205101.5 Ų101.589%0.89151%0.511SS*.  trans-88.86.7-171.5-84-174.9174178.10114.5
536D33.7Very low38.1Very low111 Ų11196 Ų9659%0.59448%0.484SS*.SBendtrans-108.3157.6-163.3-52.6-58.1000110I534I534-D536 VanDerWaalsContact C-N 3.29Å; I534-D536 HydrophobicContact CG2-CB 4Å; I534-D536 WeakPolarHBondContact CG2-OD2 3.45Å; I534-D536 PolarHBondContact O-N 3.46Å
537D38.7Very low39Very low117 Ų11793.8 Ų93.863%0.62648%0.482SS*.  trans-65158.8-152.9-77-72.1000116.1E539 T540D537-E539 HydrophobicContact CB-CB 4.48Å; D537-E539 PolarHBondContact O-N 2.91Å; D537-T540 WeakPolarHBondContact O-CA 3.44Å; D537-T540 VanDerWaalsContact O-CB 3.3Å; D537-T540 WeakPolarHBondContact O-CB 3.13Å; D537-T540 PolarHBondContact O-N 3.2Å; D537-T540 PolarHBondContact O-OG1 3.3Å
538L38Very low39.5Very low89 Ų8992.2 Ų92.247%0.46647%0.474SS..Hα-helixtrans-52.3-30.2173.6178.763000112.5L62 T540 C541 I542L62-L538 HydrophobicContact CD1-CD2 4.15Å; L538-T540 VanDerWaalsContact C-N 3.27Å; L538-T540 PolarHBondContact O-N 2.82Å; L538-C541 PolarHBondContact O-N 3.07Å; L538-I542 HydrophobicContact CD2-CD1 4.43Å; L538-I542 HydrophobicContact CG-CD1 3.95Å; L538-I542 HydrophobicContact CG-CG1 4.4Å; L538-I542 WeakPolarHBondContact O-CG1 3.44Å; L538-I542 PolarHBondContact O-N 2.69Å
539E37.9Very low39.9Very low108 Ų10888 Ų8851%0.50546%0.461SS..Hα-helixtrans-54.2-42.1171.1-65.2180147.700111.6L415 D537 C541 I542 D543L415-E539 HydrophobicContact CD1-CG 4.36Å; D537-E539 HydrophobicContact CB-CB 4.48Å; D537-E539 PolarHBondContact O-N 2.91Å; E539-C541 VanDerWaalsContact C-N 3.35Å; E539-C541 PolarHBondContact O-N 2.81Å; E539-I542 CarbonylContact O-C 3.6Å; E539-I542 PolarHBondContact O-N 3.48Å; E539-D543 WeakPolarHBondContact O-CB 3.36Å; E539-D543 PolarHBondContact O-N 2.96Å
540T44.7Very low40.4Very low67 Ų6790 Ų9041%0.41147%0.467SS..Hα-helixtrans-66.4-36.3178.6-50.40000111.8D537 L538 H544D537-T540 WeakPolarHBondContact O-CA 3.44Å; D537-T540 VanDerWaalsContact O-CB 3.3Å; D537-T540 WeakPolarHBondContact O-CB 3.13Å; D537-T540 PolarHBondContact O-N 3.2Å; D537-T540 PolarHBondContact O-OG1 3.3Å; L538-T540 VanDerWaalsContact C-N 3.27Å; L538-T540 PolarHBondContact O-N 2.82Å; T540-H544 WeakPolarHBondContact O-CB 3.46Å; T540-H544 PolarHBondContact O-CD2 2.8Å; T540-H544 PolarHBondContact O-N 3.06Å
541C40.8Very low40.5Very low37 Ų3790 Ų9025%0.2547%0.474CS..Hα-helixtrans-72.1-34173.9-73.10000112.6L538 E539 L545L538-C541 PolarHBondContact O-N 3.07Å; E539-C541 VanDerWaalsContact C-N 3.35Å; E539-C541 PolarHBondContact O-N 2.81Å; C541-L545 WeakPolarHBondContact O-CB 3.34Å; C541-L545 PolarHBondContact O-N 2.85Å; C541-L545 VanDerWaalsContact O-N 3.09Å
542I43.5Very low40.3Very low28 Ų2889.7 Ų89.714%0.14448%0.479CS..Hα-helixtrans-69.7-42.1173.4-70.3170.7000110.2F420 L538 E539 L545 L546F420-I542 HydrophobicContact CD2-CG2 4.28Å; F420-I542 HydrophobicContact CE2-CD1 4.39Å; L538-I542 HydrophobicContact CD2-CD1 4.43Å; L538-I542 HydrophobicContact CG-CD1 3.95Å; L538-I542 HydrophobicContact CG-CG1 4.4Å; L538-I542 WeakPolarHBondContact O-CG1 3.44Å; L538-I542 PolarHBondContact O-N 2.69Å; E539-I542 CarbonylContact O-C 3.6Å; E539-I542 PolarHBondContact O-N 3.48Å; I542-L545 CarbonylContact O-C 3.57Å; I542-L545 PolarHBondContact O-N 3.22Å; I542-L546 HydrophobicContact CG2-CD1 3.83Å; I542-L546 HydrophobicContact CG2-CG 4.22Å; I542-L546 WeakPolarHBondContact O-CB 3.21Å; I542-L546 VanDerWaalsContact O-CG 3.3Å; I542-L546 WeakPolarHBondContact O-CG 3.48Å; I542-L546 PolarHBondContact O-N 3.22Å
543D46.1Very low40.1Very low95 Ų9591.3 Ų91.351%0.50849%0.488SS..Hα-helixtrans-65.5-38.8176.5-77.2-22.6000112.1E539 L546 S547E539-D543 WeakPolarHBondContact O-CB 3.36Å; E539-D543 PolarHBondContact O-N 2.96Å; D543-L546 PolarHBondContact O-N 3.48Å; D543-S547 VanDerWaalsContact O-CB 3.26Å; D543-S547 WeakPolarHBondContact O-CB 3.24Å; D543-S547 PolarHBondContact O-N 3.19Å
544H49.3Very low39.9Very low126 Ų12694.1 Ų94.158%0.58349%0.494SS*.Hα-helixtrans-62.7-43.9170.4-94.9-75.4000112T540 S547 D548T540-H544 WeakPolarHBondContact O-CB 3.46Å; T540-H544 PolarHBondContact O-CD2 2.8Å; T540-H544 PolarHBondContact O-N 3.06Å; H544-S547 PolarHBondContact O-N 3.03Å; H544-D548 WeakPolarHBondContact O-CB 3.14Å; H544-D548 PolarHBondContact O-N 3.01Å
545L45Very low39.5Very low68 Ų6898.1 Ų98.136%0.35651%0.508SS..Hα-helixtrans-64.1-39.5174.6-87.1164000112.7C541 I542 L549C541-L545 WeakPolarHBondContact O-CB 3.34Å; C541-L545 PolarHBondContact O-N 2.85Å; C541-L545 VanDerWaalsContact O-N 3.09Å; I542-L545 CarbonylContact O-C 3.57Å; I542-L545 PolarHBondContact O-N 3.22Å; L545-L549 WeakPolarHBondContact O-CB 3.2Å; L545-L549 WeakPolarHBondContact O-CG 3.24Å; L545-L549 PolarHBondContact O-N 3.37Å
546L44.6Very low39.2Very low27 Ų2793.1 Ų93.114%0.14149%0.494CS..Hα-helixtrans-68-41175.8-73.7172.8000111A423 I542 D543 L549 E550A423-L546 HydrophobicContact CB-CD2 4.2Å; I542-L546 HydrophobicContact CG2-CD1 3.83Å; I542-L546 HydrophobicContact CG2-CG 4.22Å; I542-L546 WeakPolarHBondContact O-CB 3.21Å; I542-L546 VanDerWaalsContact O-CG 3.3Å; I542-L546 WeakPolarHBondContact O-CG 3.48Å; I542-L546 PolarHBondContact O-N 3.22Å; D543-L546 PolarHBondContact O-N 3.48Å; L546-L549 CarbonylContact O-C 3.57Å; L546-L549 PolarHBondContact O-N 3.11Å; L546-E550 WeakPolarHBondContact O-CB 3.48Å; L546-E550 PolarHBondContact O-N 3.38Å
547S51.4Low38.7Very low75 Ų7593 Ų9352%0.52450%0.502SS..Hα-helixtrans-68.4-36.4176.5-171.50000112.4D543 H544 S551D543-S547 VanDerWaalsContact O-CB 3.26Å; D543-S547 WeakPolarHBondContact O-CB 3.24Å; D543-S547 PolarHBondContact O-N 3.19Å; H544-S547 PolarHBondContact O-N 3.03Å; S547-S551 WeakPolarHBondContact O-CB 3.47Å; S547-S551 PolarHBondContact O-N 3.15Å; S547-S551 PolarHBondContact O-OG 3.34Å
548D46.2Very low38Very low69 Ų6991.6 Ų91.637%0.36950%0.498SS..Hα-helixtrans-59.6-46.9170-105.233.6000110.2R434 H544 S551 I552R434-D548 IonicContact CZ-OD2 3.86Å; R434-D548 IonicContact NH1-OD2 3.93Å; R434-D548 PolarHBondContact NH1-OD2 2.62Å; R434-D548 IonicContact NH2-OD2 2.71Å; R434-D548 PolarHBondContact NH2-OD2 3.1Å; H544-D548 WeakPolarHBondContact O-CB 3.14Å; H544-D548 PolarHBondContact O-N 3.01Å; D548-S551 PolarHBondContact O-N 3.44Å; D548-S551 PolarHBondContact O-OG 2.9Å; D548-I552 PolarHBondContact O-N 2.88Å
549L40.3Very low37.3Very low37 Ų3793 Ų9319%0.19451%0.51CS..Hα-helixtrans-71.7-33.8179.9-70.2170.6000113.6N427 L545 L546 S551 I552N427-L549 HydrophobicContact CB-CD2 4.16Å; L545-L549 WeakPolarHBondContact O-CB 3.2Å; L545-L549 WeakPolarHBondContact O-CG 3.24Å; L545-L549 PolarHBondContact O-N 3.37Å; L546-L549 CarbonylContact O-C 3.57Å; L546-L549 PolarHBondContact O-N 3.11Å; L549-S551 VanDerWaalsContact C-N 3.29Å; L549-I552 HydrophobicContact CD2-CD1 4.21Å; L549-I552 WeakPolarHBondContact O-CB 3.5Å; L549-I552 PolarHBondContact O-N 3.5Å
550E42.2Very low36.6Very low141 Ų14193.3 Ų93.366%0.65952%0.515SS*.Hα-helixtrans-79.7-15.1178.7-162.3151.4-104.100111.6R419 L546R419-E550 IonicContact CZ-OE1 2.81Å; R419-E550 IonicContact NH2-OE1 3.57Å; R419-E550 PolarHBondContact NH2-OE1 2.79Å; R419-E550 IonicContact NH2-OE2 2.74Å; R419-E550 PolarHBondContact NH2-OE2 2.87Å; R419-E550 VanDerWaalsContact NH2-OE2 3.08Å; L546-E550 WeakPolarHBondContact O-CB 3.48Å; L546-E550 PolarHBondContact O-N 3.38Å
551S40.3Very low35.5Very low90 Ų9096.3 Ų96.363%0.62953%0.533SS*.THydrogen-bonded Turntrans-83-12.2166.580.60000114.3S547 D548 L549 E553S547-S551 WeakPolarHBondContact O-CB 3.47Å; S547-S551 PolarHBondContact O-N 3.15Å; S547-S551 PolarHBondContact O-OG 3.34Å; D548-S551 PolarHBondContact O-N 3.44Å; D548-S551 PolarHBondContact O-OG 2.9Å; L549-S551 VanDerWaalsContact C-N 3.29Å; S551-E553 PolarHBondContact O-N 3.13Å; S551-E553 VanDerWaalsContact O-N 3.12Å
552I32.5Very low34.6Very low88 Ų8899 Ų9945%0.45155%0.549SS..SBendtrans-77.197.3167.1-58.9175.7000107.1D548 L549 V554D548-I552 PolarHBondContact O-N 2.88Å; L549-I552 HydrophobicContact CD2-CD1 4.21Å; L549-I552 WeakPolarHBondContact O-CB 3.5Å; L549-I552 PolarHBondContact O-N 3.5Å; I552-V554 PolarHBondContact O-N 2.95Å
553E30Very low33.6Very low172 Ų172103.7 Ų103.780%0.80458%0.579SS**  trans-53.6111.4179.6-166.4172.5-132.500109.7S551 F555S551-E553 PolarHBondContact O-N 3.13Å; S551-E553 VanDerWaalsContact O-N 3.12Å; E553-F555 PolarHBondContact O-N 3.34Å
554V27.8Very low32.5Very low114 Ų114103.8 Ų103.869%0.69158%0.583SS**  trans-63.1109.3-175179.90000107.9I552 T556I552-V554 PolarHBondContact O-N 2.95Å; V554-T556 HydrophobicContact CG1-CG2 3.95Å; V554-T556 PolarHBondContact O-N 2.87Å
555F24.5Very low31.2Very low197 Ų197102.6 Ų102.686%0.86459%0.585SS**  trans-63.879.2162-91.9-86.4000108.4E553 S557E553-F555 PolarHBondContact O-N 3.34Å; F555-S557 VanDerWaalsContact C-N 3.29Å; F555-S557 PolarHBondContact O-N 3.24Å
556T25.6Very low30.1Very low99 Ų99109.4 Ų109.461%0.60761%0.607SS**  trans-59.3103.1161.148.90000105.4V554 T558V554-T556 HydrophobicContact CG1-CG2 3.95Å; V554-T556 PolarHBondContact O-N 2.87Å; T556-T558 PolarHBondContact O-N 3.41Å; T556-T558 PolarHBondContact O-OG1 3.5Å
557S23.9Very low29.2Very low109 Ų109114 Ų11476%0.76264%0.636SS**  trans-62.177.3156.3-174.60000106.2F555 V559F555-S557 VanDerWaalsContact C-N 3.29Å; F555-S557 PolarHBondContact O-N 3.24Å; S557-V559 VanDerWaalsContact C-N 3.27Å; S557-V559 PolarHBondContact O-N 2.88Å
558T23Very low27.8Very low87 Ų87116.8 Ų116.853%0.53465%0.65SS.*  trans-64.3102171.3-55.40000102.9T556 N560T556-T558 PolarHBondContact O-N 3.41Å; T556-T558 PolarHBondContact O-OG1 3.5Å; T558-N560 WeakPolarHBondContact CG2-OD1 3.47Å; T558-N560 PolarHBondContact O-N 3.12Å
559V24.3Very low26.7Very low118 Ų118119.4 Ų119.472%0.71567%0.674SS**  trans-66.681.6170.1-179.50000105.1S557 T561S557-V559 VanDerWaalsContact C-N 3.27Å; S557-V559 PolarHBondContact O-N 2.88Å; V559-T561 VanDerWaalsContact C-N 3.26Å; V559-T561 PolarHBondContact O-N 3.47Å
560N22Very low25.9Very low116 Ų116124.1 Ų124.162%0.6270%0.704SS**  trans-61.998.7173.1-78.7-19.9000105T558 T562T558-N560 WeakPolarHBondContact CG2-OD1 3.47Å; T558-N560 PolarHBondContact O-N 3.12Å; N560-T562 WeakPolarHBondContact CB-OG1 3.34Å; N560-T562 PolarHBondContact O-N 2.71Å; N560-T562 PolarHBondContact O-OG1 3.02Å; N560-T562 VanDerWaalsContact O-OG1 3.07Å
561T22.8Very low25Very low129 Ų129124.6 Ų124.679%0.79172%0.717SS**  trans-6563.7159.949.40000107.8V559 T563V559-T561 VanDerWaalsContact C-N 3.26Å; V559-T561 PolarHBondContact O-N 3.47Å; T561-T563 PolarHBondContact O-N 2.82Å
562T22.2Very low24.2Very low95 Ų95125.7 Ų125.758%0.58372%0.724SS**  trans-70.5101.4174.9-35.90000104N560 V564N560-T562 WeakPolarHBondContact CB-OG1 3.34Å; N560-T562 PolarHBondContact O-N 2.71Å; N560-T562 PolarHBondContact O-OG1 3.02Å; N560-T562 VanDerWaalsContact O-OG1 3.07Å; T562-V564 HydrophobicContact CG2-CG2 4.26Å; T562-V564 WeakPolarHBondContact O-CG2 3.5Å; T562-V564 PolarHBondContact O-N 3.44Å
563T22.1Very low23.8Very low125 Ų125126.5 Ų126.577%0.76774%0.738SS**  trans-64.790.4168.9-490000106.7T561 T565T561-T563 PolarHBondContact O-N 2.82Å; T563-T565 PolarHBondContact O-N 3.2Å
564V23.1Very low23.6Very low97 Ų97123.9 Ų123.959%0.58873%0.734SS**  trans-74.577.8-179.1-175.80000108.4T562 Y566T562-V564 HydrophobicContact CG2-CG2 4.26Å; T562-V564 WeakPolarHBondContact O-CG2 3.5Å; T562-V564 PolarHBondContact O-N 3.44Å; V564-Y566 WeakPolarHBondContact O-CD2 3.32Å; V564-Y566 PolarHBondContact O-N 2.92Å
565T22.2Very low23.5Very low102 Ų102125.3 Ų125.363%0.62674%0.736SS**  trans-64.1113.5165-53.40000107.5T563 T567T563-T565 PolarHBondContact O-N 3.2Å; T565-T567 VanDerWaalsContact C-N 3.31Å; T565-T567 HydrophobicContact CG2-CG2 4.39Å; T565-T567 PolarHBondContact O-N 3.29Å
566Y21.7Very low23.6Very low211 Ų211121.2 Ų121.283%0.82773%0.729SS**  trans-71.779.6-177.5-74.3-88.2000112V564 T568V564-Y566 WeakPolarHBondContact O-CD2 3.32Å; V564-Y566 PolarHBondContact O-N 2.92Å; Y566-T568 PolarHBondContact O-N 2.87Å
567T24.5Very low23.6Very low123 Ų123122.9 Ų122.976%0.75573%0.734SS**  trans-9098.1169.149.40000110.7T565 S569T565-T567 VanDerWaalsContact C-N 3.31Å; T565-T567 HydrophobicContact CG2-CG2 4.39Å; T565-T567 PolarHBondContact O-N 3.29Å; T567-S569 PolarHBondContact O-N 2.89Å
568T22.2Very low23.8Very low134 Ų134126.2 Ų126.282%0.82274%0.738SS**  trans-71.8121.1173.439.50000111.2Y566Y566-T568 PolarHBondContact O-N 2.87Å
569S24.2Very low23.9Very low124 Ų124127.8 Ų127.887%0.86774%0.743SS**  trans-149.6130.4165.6-101.90000113.6T567T567-S569 PolarHBondContact O-N 2.89Å
570T22.3Very low24.1Very low135 Ų135128.7 Ų128.783%0.82874%0.742SS**  trans-72.2136.9-170.349.10000114.9
571V23.9Very low24.5Very low151 Ų151130 Ų13092%0.91575%0.75SS**  trans-139.7139.5140.1-174.60000109.9
572S22.9Very low24.6Very low113 Ų113130.5 Ų130.579%0.7975%0.747SS**  trans-82.5148.3-164.9-40.50000116.6
573S25.5Very low25Very low105 Ų105132.6 Ų132.673%0.73476%0.76SS**  -171.7113.3125.159.20000114.6
574T24.7Very low25.3Very low118 Ų118131.5 Ų131.572%0.72475%0.754SS**  trans34.7109.3146.151.70000120.4
575I26.5Very low25.4Very low143 Ų143134.6 Ų134.673%0.73377%0.765SS**  80136.681.9-75.9170.5000113
576P27.2Very low25.6Very low111 Ų111136.9 Ų136.972%0.72177%0.772SS**  cis-128.7140.824.530.2-9.6000119.3
577N25.4Very low25.8Very low134 Ų134134.9 Ų134.972%0.71777%0.77SS**  trans30.1116130.3-52.76.2000121.3
578Q26.6Very low26.1Very low179 Ų179135.3 Ų135.384%0.83677%0.773SS**  174140.2109.1-94-171.6-37.600109.5
579D26.5Very low26.4Very low120 Ų120135.7 Ų135.764%0.64277%0.769SS**  cis-164.8153.8-20.3-132.9-25000108.3
580I28.5Very low26.7Very low137 Ų137137.6 Ų137.670%0.70377%0.768SS**  trans59.7126153.8-65.4163.1000118
581N30.6Very low27Very low145 Ų145137.2 Ų137.278%0.77576%0.761SS**  cis-159.3162.7-0.4-119-10.6000112.1
582N24.9Very low27.2Very low139 Ų139135.6 Ų135.674%0.74375%0.751SS**  trans-82.2155.6178.1-52.7-68.8000114.2T584N582-T584 HydrophobicContact CB-CG2 4.4Å
583T29.8Very low27.5Very low138 Ų138136.2 Ų136.285%0.84775%0.745SS**  -170.8150.7128.436.50000111.7
584T27.3Very low27.7Very low103 Ų103138.4 Ų138.463%0.63274%0.744SS**  -179.7140.4-52.226.70000110.9N582N582-T584 HydrophobicContact CB-CG2 4.4Å
585I25.2Very low27.7Very low161 Ų161137.4 Ų137.483%0.82674%0.741SS**  trans58.9160.3163.718.2171.2000117.9
586I28.3Very low27.7Very low150 Ų150134.4 Ų134.477%0.76973%0.733SS**  cis-136.9148.715-58.4171.7000111.7
587E25.5Very low27.8Very low170 Ų170137.2 Ų137.279%0.79474%0.736SS**  trans-108.5153.3163.4-63.8179.5114.100113.1
588T31.2Very low27.9Very low132 Ų132139.2 Ų139.281%0.8174%0.741SS**  trans-159.1118.1149.7290000107.5
589L26.9Very low27.8Very low142 Ų142136.3 Ų136.374%0.74374%0.74SS**  77.7126.651.4-81.3167.1000116.1
590I31.5Very low27.7Very low164 Ų164136 Ų13684%0.84175%0.747SS**  trans142.7140.5148.1-77.5157.7000111.1
591D28.1Very low27.5Very low127 Ų127133.7 Ų133.768%0.67975%0.749SS**  cis-171.3160.1-42.9-148.5-20.2000110.1
592T28.7Very low27.2Very low116 Ų116132.8 Ų132.871%0.71275%0.749SS**  trans58.8160164.760.30000118.2
593D28.2Very low27.1Very low126 Ų126131.5 Ų131.567%0.67475%0.746SS**  cis-166.8163.4-7.2-119.328000108
594Q29.8Very low26.9Very low152 Ų152130.6 Ų130.671%0.7174%0.74SS**  cis-163.1-168.4-14.7-138.7-162.6101.600111.7
595C24.3Very low26.8Very low97 Ų97133.4 Ų133.466%0.65575%0.75SS**  trans-30169162.7-68.20000121.6
596S27.4Very low26.8Very low80 Ų80129.8 Ų129.856%0.55974%0.74SS**  cis178.5173.2-25.259.80000111.8
597H28.6Very low26.7Very low169 Ų169129 Ų12978%0.78274%0.737SS**  trans83.8146.5155.3-61.9-46.9000124.6
598Q28.7Very low26.9Very low177 Ų177126.6 Ų126.683%0.82773%0.73SS**  trans76.893.1147.8-77.9173.114.800123.1
599S23.4Very low26.6Very low118 Ų118127.3 Ų127.383%0.82573%0.727SS**  31.3140117.4-49.60000123.5
600S25.8Very low26.7Very low112 Ų112127.1 Ų127.178%0.78373%0.731SS**  trans97.8101.7139.1-164.50000120.7
601A22.4Very low26.4Very low90 Ų90125.4 Ų125.474%0.74473%0.729SS**  52.6170.2129.300000123.4
602V25Very low26.5Very low126 Ų126125 Ų12576%0.76474%0.735SS**  trans84.982.7165.2-166.50000118.1
603T23.2Very low26.1Very low112 Ų112125.3 Ų125.369%0.68774%0.741SS**  27.7139.1129.862.20000122.8
604T25.3Very low26.4Very low118 Ų118124.7 Ų124.772%0.72474%0.744SS**  139134.4123.151.80000116.8
605L25.4Very low26.2Very low162 Ų162122 Ų12285%0.84874%0.742SS**  trans58.4158.9152.8-8483.3000120
606S25.5Very low26.3Very low86 Ų86124.6 Ų124.660%0.60175%0.749SS**  cis-174.3158.9-35.9-1400000110.3
607N25.6Very low26.4Very low132 Ų132127.3 Ų127.371%0.70676%0.762SS**  trans67.4156.3157.1-6425.3000117.1
608D30.2Very low26.3Very low121 Ų121124 Ų12465%0.64776%0.758SS**  cis-136.3145-1.8-91.3-45.5000108.9
609I25.4Very low26.4Very low146 Ų146123.4 Ų123.475%0.74976%0.755SS**  52118.488.7-46.1178.6000112.8
610V29.4Very low26.4Very low139 Ų139125.9 Ų125.984%0.84275%0.753SS**  -159.5154.383164.40000112.6
611T24.8Very low26.5Very low127 Ų127127.1 Ų127.178%0.77975%0.751SS**  trans-101.9152-177.852.60000116
612S29Very low26.7Very low118 Ų118129.7 Ų129.783%0.82575%0.751SS**  trans-173.9146.6140540000115.1
613C21.7Very low26.9Very low123 Ų123128.1 Ų128.183%0.83175%0.745SS**  trans-127-157.4168.2-450000108.2
614P32.8Very low27Very low113 Ų113128.2 Ų128.273%0.73475%0.75SS**  cis-139-168.9-20.337.9-17.8000114.8
615S25.8Very low27.2Very low95 Ų95128.5 Ų128.566%0.66475%0.754SS**  trans95.5141.9138.377.40000123.5
616N26.4Very low27.2Very low152 Ų152126.1 Ų126.181%0.81375%0.751SS**  trans65.9151.7164.5-58.2-19.1000116.7
617V30.7Very low27.3Very low137 Ų137127.1 Ų127.183%0.8376%0.758SS**  cis-134.3156.727.2172.40000112.6
618S25Very low27.3Very low99 Ų99125.8 Ų125.869%0.69276%0.759SS**  trans-104.4138.1177.655.40000114.3
619H30.7Very low27.2Very low166 Ų166128 Ų12877%0.76977%0.77SS**  trans-169.2124.8150.4-86.3-63.4000105.3
620E24.4Very low27.3Very low169 Ų169125.8 Ų125.879%0.7977%0.767SS**  62.4111.952.5-164.3176.4-133.700113.3
621L28.9Very low27.3Very low139 Ų139125.7 Ų125.773%0.72876%0.762SS**  trans160.3111.4135.2-82.5166000113.4
622I26.5Very low27.3Very low144 Ų144126.2 Ų126.274%0.73877%0.769SS**  trans62136.8136.9-44.9177.8000121.9
623S28.7Very low27.1Very low93 Ų93124.7 Ų124.765%0.6576%0.755SS**  trans67.3107.5155.154.80000122.8
624S24.6Very low27.3Very low113 Ų113125.9 Ų125.979%0.7976%0.759SS**  47.5155101.5-40.90000121.4
625P29.5Very low26.9Very low125 Ų125126 Ų12681%0.81275%0.753SS**  -139.8124.2-78.433.5-12.5000114.6
626S26.6Very low26.8Very low112 Ų112128.3 Ų128.378%0.78376%0.763SS**  trans-159.2124.917156.20000116.1
627S26.3Very low26.6Very low106 Ų106126.4 Ų126.474%0.74176%0.757SS**  trans51.1127.6144.458.30000123.3
628S26.6Very low26.4Very low105 Ų105126.6 Ų126.673%0.73475%0.752SS**  trans62.690.114259.20000121
629L26.8Very low26.5Very low166 Ų166128.4 Ų128.487%0.86975%0.754SS**  34.9161.3106.8-81.6167.2000122.6
630S28.5Very low26.2Very low100 Ų100128.3 Ų128.370%0.69976%0.759SS**  trans82.9143.9171.681.90000117.8
631D28Very low26.2Very low138 Ų138129.1 Ų129.174%0.73876%0.76SS**  cis-159.8165.6-25.5-101.7-31.5000109.4V633D631-V633 HydrophobicContact CB-CG2 3.58Å
632C25.1Very low26Very low137 Ų137129.3 Ų129.393%0.92677%0.767SS**  trans-114.794163.2-164.20000109.6
633V26.6Very low25.8Very low86 Ų86128.9 Ų128.952%0.52177%0.765SS.*  trans-97.4149.5-167.4-167.70000111.7D631 N635D631-V633 HydrophobicContact CB-CG2 3.58Å; V633-N635 WeakPolarHBondContact CG1-OD1 3.04Å
634T24.8Very low25.5Very low148 Ų148130.8 Ų130.891%0.90877%0.773SS**  trans-107.3113.5152.7-56.80000107.8
635N24.1Very low25.4Very low117 Ų117133.9 Ų133.963%0.62677%0.768SS**  trans-82.2137.1-160.1-67-47.1000114.4V633V633-N635 WeakPolarHBondContact CG1-OD1 3.04Å
636V23.9Very low25Very low142 Ų142133.5 Ų133.586%0.86177%0.768SS**  trans-134.4122.3143.2-178.60000107.4
637T23.3Very low24.8Very low112 Ų112132.6 Ų132.669%0.68775%0.753SS**  trans-115.5127.3-169.1-36.60000111
638I26.7Very low24.6Very low142 Ų142134.2 Ų134.273%0.72876%0.759SS**  trans-137.8111.3170.2-56-178.7000110.1
639N25.6Very low24.4Very low137 Ų137133.9 Ų133.973%0.73376%0.757SS**SBendtrans49.767160-59-3.3000118.7K641N639-K641 VanDerWaalsContact C-N 3.29Å; N639-K641 PolarHBondContact O-N 2.97Å
640D25.8Very low24.1Very low164 Ų164130 Ų13088%0.87775%0.749SS**SBendtrans52.721.2138-56.2-12.5000120.1
641K23.9Very low23.8Very low186 Ų186130 Ų13081%0.80974%0.744SS**  trans-136.4102.6168.5-74.5-168.4176.6-177.50112.6N639 L643N639-K641 VanDerWaalsContact C-N 3.29Å; N639-K641 PolarHBondContact O-N 2.97Å; K641-L643 PolarHBondContact O-N 3.1Å
642T24.1Very low23.5Very low142 Ų142127.3 Ų127.387%0.87173%0.729SS**  trans-67.693.9171.8-38.10000110.3T644T642-T644 PolarHBondContact O-N 2.96Å
643L22.3Very low23.4Very low136 Ų136125 Ų12571%0.71271%0.711SS**  trans-92.290.3-177.4-159.382.1000111K641 R645K641-L643 PolarHBondContact O-N 3.1Å; L643-R645 HydrophobicContact CD2-CB 4.21Å; L643-R645 HydrophobicContact CD2-CG 4.44Å; L643-R645 HydrophobicContact CG-CB 4.36Å; L643-R645 PolarHBondContact O-N 2.85Å
644T23Very low23.3Very low132 Ų132127.7 Ų127.781%0.8172%0.722SS**  trans-69.575.6177-41.70000111.3T642 S646T642-T644 PolarHBondContact O-N 2.96Å; T644-S646 PolarHBondContact O-N 2.97Å
645R21.9Very low23.2Very low179 Ų179126.4 Ų126.468%0.67571%0.714SS**  trans-98.282.2-168.5-159.8-176171.4-159.7-5.1112L643 I647L643-R645 HydrophobicContact CD2-CB 4.21Å; L643-R645 HydrophobicContact CD2-CG 4.44Å; L643-R645 HydrophobicContact CG-CB 4.36Å; L643-R645 PolarHBondContact O-N 2.85Å; R645-I647 HydrophobicContact CG-CD1 4.14Å; R645-I647 HydrophobicContact CG-CG1 3.71Å; R645-I647 VanDerWaalsContact CZ-CD1 3.5Å; R645-I647 PolarHBondContact O-N 3.04Å
646S21.6Very low23.3Very low117 Ų117125.5 Ų125.582%0.81872%0.717SS**  trans-62.5116.2159.9-600000109T644T644-S646 PolarHBondContact O-N 2.97Å
647I22.2Very low23.3Very low93 Ų93124.7 Ų124.748%0.47771%0.708SS.*  trans-112.6112.2177.2-54175.8000108.9R645 S649R645-I647 HydrophobicContact CG-CD1 4.14Å; R645-I647 HydrophobicContact CG-CG1 3.71Å; R645-I647 VanDerWaalsContact CZ-CD1 3.5Å; R645-I647 PolarHBondContact O-N 3.04Å; I647-S649 WeakPolarHBondContact CG2-OG 3.37Å
648T21.3Very low23.5Very low139 Ų139127.6 Ų127.685%0.85372%0.719SS**  trans-115.697.4161.3-50.30000106.8
649S22.4Very low23.5Very low99 Ų99129 Ų12969%0.69272%0.72SS**  trans-149.3142.6179.859.70000110.4I647I647-S649 WeakPolarHBondContact CG2-OG 3.37Å
650A21.3Very low23.7Very low85 Ų85130.1 Ų130.170%0.70272%0.72SS**  trans-98-176.6-171.500000113.7
651T21.5Very low23.9Very low99 Ų99126.3 Ų126.361%0.60771%0.705SS**  trans72.1111.1154.746.60000121.2N674T651-N674 PolarHBondContact O-ND2 3.27Å
652I22Very low24.1Very low82 Ų82125 Ų12542%0.42171%0.706SS.*  70.7126123.7-65.1164.4000117.5L671 N674I652-L671 HydrophobicContact CD1-CD1 3.83Å; I652-L671 HydrophobicContact CG1-CD1 4.49Å; I652-N674 HydrophobicContact CG2-CB 3.9Å; I652-N674 PolarHBondContact O-ND2 3.07Å
653T23.1Very low24.2Very low87 Ų87122.8 Ų122.853%0.53470%0.696SS.*  cis-168.1159.9-1.122.30000109.2L671T653-L671 HydrophobicContact CG2-CD2 4.33Å
654D24.4Very low24.4Very low143 Ų143122.7 Ų122.777%0.76570%0.704SS**  trans52.6152.2148.6-56.4-25.5000119.8
655T23.5Very low24.6Very low121 Ų121122.8 Ų122.874%0.74270%0.698SS**  cis-151.1142.442510000114.6
656S25.4Very low24.9Very low98 Ų98119.6 Ų119.669%0.68569%0.694SS**  trans57.9159.5140.490.40000119.8
657D25.3Very low25.1Very low126 Ų126118 Ų11867%0.67468%0.683SS**  cis-1411443-89.4-69000110.7
658L27.5Very low25.2Very low173 Ų173121 Ų12191%0.90670%0.699SS**  trans166.9110.4134.1-92.2158.1000111.8
659F25.7Very low25.4Very low171 Ų171119.2 Ų119.275%0.7569%0.692SS**  trans-79.5177.8171.3-70.6-104.3000110.3
660H28.8Very low25.6Very low160 Ų160121.2 Ų121.274%0.74170%0.7SS**  cis-165.3-173.229.5-138.6-6000110.9
661P31.8Very low25.8Very low85 Ų85122.5 Ų122.555%0.55270%0.695SS**  -122175-100.439-23.3000116.4
662N27Very low25.9Very low158 Ų158125.4 Ų125.485%0.84571%0.706SS**  174.192.9118.2-88.3-28.8000113
663S26.1Very low26.1Very low95 Ų95126.9 Ų126.966%0.66472%0.722SS**  trans-155.1138.5162.1570000110.3
664P27.4Very low26.1Very low134 Ų134127.1 Ų127.187%0.8772%0.72SS**  trans-82.5132.2177.831.6-32.6000111.7
665I26Very low26.2Very low135 Ų135128.2 Ų128.269%0.69273%0.726SS**  trans-135.3133.9176.8-61.9171.4000109.2
666L28.3Very low26.2Very low112 Ų112128.3 Ų128.359%0.58673%0.727SS**  trans-135134.2143.5-75.198.5000107.5Q333Q333-L666 HydrophobicContact CG-CD1 4.49Å; Q333-L666 VanDerWaalsContact OE1-CD1 3.27Å
667S26.5Very low26.2Very low83 Ų83131.5 Ų131.558%0.5873%0.731SS**  cis80.3149.732.296.30000113.5
668L24.9Very low26.2Very low155 Ų155130.5 Ų130.581%0.81273%0.73SS**  cis-156176.29.9-163.868.1000110.4
669S24.8Very low26.1Very low102 Ų102128.9 Ų128.971%0.71372%0.722SS**  trans115.3130.8156.4-51.60000114.8
670T26.4Very low26.1Very low141 Ų141125.2 Ų125.287%0.86572%0.718SS**  cis-151.7151.2-3.70.20000111
671L24.5Very low25.9Very low113 Ų113124.1 Ų124.159%0.59272%0.717SS**  trans-131.8144.1175-171.684.3000108.4I652 T653I652-L671 HydrophobicContact CD1-CD1 3.83Å; I652-L671 HydrophobicContact CG1-CD1 4.49Å; T653-L671 HydrophobicContact CG2-CD2 4.33Å
672L24.6Very low25.7Very low159 Ų159126 Ų12683%0.83272%0.723SS**  trans-159.9149.1162.2-138.573.6000113.3
673C25.4Very low25.8Very low114 Ų114124.1 Ų124.177%0.7771%0.712SS**  trans62.783162.4-61.60000119
674N23.9Very low25.8Very low91 Ų91126 Ų12649%0.48772%0.715SS.*  trans-91147.4135.6-105.9-2.8000108.4T651 I652T651-N674 PolarHBondContact O-ND2 3.27Å; I652-N674 HydrophobicContact CG2-CB 3.9Å; I652-N674 PolarHBondContact O-ND2 3.07Å
675N26.3Very low25.8Very low166 Ų166125.1 Ų125.189%0.88871%0.707SS**  trans-145.2141.3164.3-118.1-3000109.6
676T24.5Very low25.7Very low124 Ų124126.1 Ų126.176%0.76171%0.714SS**  trans-69.9152.4179.3480000111.3
677E24.9Very low25.6Very low164 Ų164125.5 Ų125.577%0.76672%0.719SS**  -172149.579.6-90.6-167.5126.900115
678T24.5Very low25.5Very low106 Ų106125.9 Ų125.965%0.6572%0.721SS**  trans44.5136.2143.268.40000124.5
679N25.1Very low25.6Very low139 Ų139125.1 Ų125.174%0.74372%0.718SS**  trans75.495133.7-67.7-12.6000121.8
680S26.3Very low25.5Very low94 Ų94125.4 Ų125.466%0.65772%0.719SS**  95.1139.8107.3780000120.1
681N25.8Very low25.5Very low136 Ų136127.1 Ų127.173%0.72772%0.717SS**  trans67117.9145.1-67.52.4000119.9
682N27.3Very low25.4Very low126 Ų126125.8 Ų125.867%0.67472%0.718SS**  trans72.6149.4139.9-60.745.1000116.4
683D27.9Very low25.4Very low117 Ų117126.2 Ų126.263%0.62672%0.72SS**  cis-162.4156.2-15.7-108.1-19.2000109.2
684N25.8Very low25.3Very low135 Ų135127.1 Ų127.172%0.72272%0.715SS**  trans64.1143.5143.2-78.9-42.7000123.9
685V28.1Very low25.3Very low116 Ų116130.2 Ų130.270%0.70373%0.73SS**  trans78.494.7138.1171.20000119.4
686N23.9Very low25.4Very low155 Ų155126.9 Ų126.983%0.82972%0.718SS**  25.3103.6110.9-55.4-3.7000119.5
687S27.2Very low25.3Very low99 Ų99128.3 Ų128.369%0.69272%0.721SS**  -146.3134121.869.10000106.1
688S23.9Very low25.5Very low91 Ų91126 Ų12664%0.63671%0.713SS**  56.3139.457.7830000113.9
689D26.7Very low25.7Very low139 Ų139126.9 Ų126.974%0.74372%0.72SS**  trans83.2120.3163.7-44.8-45.3000118.7
690C23.6Very low25.7Very low109 Ų109126.4 Ų126.474%0.73672%0.718SS**  trans65153.5148.9-660000119.3
691E26.1Very low25.6Very low176 Ų176127.4 Ų127.482%0.82272%0.72SS**  cis-150.4167.7-3-133.3159.6-147.500111.7
692S22.2Very low25.6Very low86 Ų86129.7 Ų129.760%0.60172%0.723SS**  trans-86.5124179.557.90000113.4
693L25.3Very low25.4Very low168 Ų168129.8 Ų129.888%0.8872%0.723SS**  trans-149.797.1159.3-12873.9000106
694I22.4Very low25.1Very low132 Ų132131.1 Ų131.168%0.67773%0.727SS**  50.310260.7-35176000112.7
695I23.8Very low25Very low157 Ų157131.5 Ų131.581%0.80573%0.726SS**  164.5138.5129-86.7173.2000108.3
696P28.1Very low24.8Very low96 Ų96134.3 Ų134.362%0.62373%0.729SS**  trans-99.6178.5-165.640.2-37.5000113.3
697N23.6Very low25Very low154 Ų154133.3 Ų133.382%0.82473%0.729SS**  -162.8132.7120-101.6-23.3000116.7
698I29.1Very low24.9Very low116 Ų116133.7 Ų133.760%0.59573%0.729SS**  trans-51.5139.9154.6-66.4149.2000109.3D700I698-D700 HydrophobicContact CG2-CB 3.7Å; I698-D700 VanDerWaalsContact CG2-CG 3.42Å; I698-D700 WeakPolarHBondContact CG2-OD2 3.3Å
699P27.8Very low24.8Very low124 Ų124136.7 Ų136.781%0.80574%0.736SS**  -118.5129.195.8-5.625.5000111.9
700D24Very low24.6Very low129 Ų129135.8 Ų135.869%0.6974%0.736SS**  cis89.6134.249.7-105-37.8000114.8I698I698-D700 HydrophobicContact CG2-CB 3.7Å; I698-D700 VanDerWaalsContact CG2-CG 3.42Å; I698-D700 WeakPolarHBondContact CG2-OD2 3.3Å
701T25.9Very low24.6Very low114 Ų114135.2 Ų135.270%0.69973%0.733SS**  trans-33.1147.9169.660.50000116.6
702K24.2Very low24.5Very low184 Ų184131.1 Ų131.180%0.872%0.72SS**  -169.4140.1117.2-104.7164.9-176.1171.70114.7
703L24.3Very low24.5Very low129 Ų129129.8 Ų129.868%0.67571%0.71SS**  trans58.7109.4148.4-58.3163.3000117.2
704M22.3Very low24.5Very low145 Ų145124.2 Ų124.271%0.71468%0.683SS**  74.914059.3-68.3172.546.600115.1
705M23.2Very low24.6Very low142 Ų142125 Ų12570%0.769%0.687SS**  trans72.9140.7172.8-55-164.5-155.100114.8
706K24.3Very low24.5Very low176 Ų176124.7 Ų124.777%0.76569%0.686SS**  cis-155.7140.9-0.9-120.3161.2-174168.20109.4
707T27Very low24.3Very low134 Ų134125.4 Ų125.482%0.82269%0.688SS**  trans-65.4146153.642.10000108.9
708P24.8Very low24.2Very low107 Ų107123.1 Ų123.170%0.69568%0.68SS**  -155.4145.697.538-18.4000118.4
709I22.1Very low23.9Very low153 Ų153123.1 Ų123.179%0.78569%0.686SS**  68.8109128-59.7172.3000121.3
710V22.4Very low23.7Very low121 Ų121122.1 Ų122.173%0.73368%0.682SS**  42.8121.7126.5-1720000121.4
711S23.1Very low23.6Very low97 Ų97121.6 Ų121.668%0.67868%0.683SS**  -170.4141.7120.1-79.20000112.9
712T24.6Very low23.5Very low90 Ų90121.8 Ų121.855%0.55268%0.684SS**  trans-98.8159.7-170.3-5.50000114.9L347 P348 P349L347-T712 CarbonylContact O-C 2.74Å; P348-T712 CarbonylContact C-O 3.58Å; P348-T712 WeakPolarHBondContact CA-O 3.08Å; P349-T712 WeakPolarHBondContact CA-O 3.48Å; P349-T712 WeakPolarHBondContact CB-O 3.14Å; P349-T712 WeakPolarHBondContact CD-O 3.46Å; P349-T712 VanDerWaalsContact CG-O 3.32Å; P349-T712 WeakPolarHBondContact CG-O 3.16Å
713S23.1Very low23.4Very low57 Ų57118.2 Ų118.240%0.39968%0.678SS.*  trans143.5-157.3148179.30000112.8L347L347-S713 PolarHBondContact O-N 3.36Å; L347-S713 VanDerWaalsContact O-N 3.16Å
714T24.5Very low23.4Very low51 Ų51118.9 Ų118.931%0.31368%0.682SS.*  cis-166.1177.2-15.3-108.60000109.7L347 P348L347-T714 WeakPolarHBondContact CD1-O 3.46Å; P348-T714 HydrophobicContact CG-CG2 4.43Å; P348-T714 WeakPolarHBondContact O-CB 3.31Å; P348-T714 PolarHBondContact O-OG1 2.76Å
715I23.8Very low23.4Very low149 Ų149120.3 Ų120.376%0.76469%0.687SS**  trans-130.4147.1-168-60.6165.4000113.3
716I22.8Very low23.5Very low151 Ų151121 Ų12177%0.77469%0.688SS**  trans175.1118.1143.7-92.9153.8000108.3
717T22.6Very low23.5Very low110 Ų110118.9 Ų118.968%0.67569%0.685SS**  48.814788.125.20000115.8
718T23Very low23.4Very low107 Ų107118.3 Ų118.366%0.65668%0.681SS**  cis-164.2155.122.5-3.30000111.3
719T22.5Very low23.4Very low115 Ų115120.9 Ų120.971%0.70668%0.683SS**  trans57.2142.8144.759.20000124.3
720S22.6Very low23.5Very low104 Ų104119.1 Ų119.173%0.72768%0.675SS**  trans74.2148142.5-64.40000119.5
721T22.6Very low23.6Very low117 Ų117120.1 Ų120.172%0.71868%0.677SS**  cis-168.8158.5-19.829.40000109.5
722V22.8Very low23.6Very low119 Ų119120.9 Ų120.972%0.72168%0.68SS**  trans73.9116.4142.2159.50000119.8
723T23.8Very low23.5Very low108 Ų108125.9 Ų125.966%0.66370%0.695SS**  trans63.3118.4149.2580000122.8
724N22.4Very low23.6Very low143 Ų143134.5 Ų134.577%0.76572%0.718SS**  63.5143.7121.9-69.9-27.5000122.9
725Q23.9Very low23.5Very low175 Ų175139 Ų13982%0.81874%0.74SS**  trans76.3119.5150.1-76.6171.515.300119.2
726H24.3Very low23.5Very low157 Ų157139 Ų13973%0.72774%0.74SS**  trans70.4109.3141-96.6-114.3000120.2
727L25.3Very low23.6Very low132 Ų132138 Ų13869%0.69174%0.741SS**  62.5105.5123.4-93.365.9000119.3
728V24.7Very low23.6Very low122 Ų122137.8 Ų137.874%0.73974%0.744SS**  77.9116.8112167.40000119.2
729H24.6Very low23.7Very low161 Ų161138.5 Ų138.575%0.74575%0.753SS**  trans74.9142.6150.4-96.2-67000122.3
730N25Very low23.7Very low116 Ų116138.4 Ų138.462%0.6276%0.757SS**  trans77.494.6146-64.4-9.5000120.9
731D23.8Very low23.7Very low142 Ų142138.4 Ų138.476%0.75976%0.757SS**  76.8161111.5-73.5-32.7000122.5
732C22.5Very low24Very low112 Ų112138.6 Ų138.676%0.75776%0.76SS**  trans73.680.3160.8-730000119.1
733K23.8Very low23.9Very low195 Ų195142.8 Ų142.885%0.84877%0.769SS**  37.8107.3113.8-63.1174.9177.2173.60117.9
734R23.8Very low23.7Very low238 Ų238142.4 Ų142.490%0.89877%0.77SS**  170.9117.2122.2-90.2159.886.7-172.17.1107.6
735L22.7Very low23.6Very low146 Ų146144.6 Ų144.676%0.76477%0.773SS**  cis73.4120.944.3-145.5171.8000111.5
736I23.7Very low23.5Very low150 Ų150141 Ų14177%0.76977%0.767SS**  trans61.6146.5-177.542.8-178.8000116.5
737T25.5Very low23.4Very low128 Ų128142 Ų14279%0.78577%0.772SS**  cis-146163.117.1-20.60000113.1
738S22Very low23.2Very low107 Ų107142.3 Ų142.375%0.74877%0.774SS**  trans-81.3151.5173.554.10000115.1
739S24.6Very low23.1Very low121 Ų121141.1 Ų141.185%0.84677%0.766SS**  trans-164.6156.2140.851.40000113.3
740S23.1Very low23.2Very low113 Ų113140.5 Ų140.579%0.7977%0.769SS**  trans-75.4155169.944.70000110.8
741S23.3Very low23.1Very low104 Ų104140.1 Ų140.173%0.72777%0.767SS**  -178.6164.567.751.10000111.1
742P28.4Very low23.3Very low121 Ų121140 Ų14079%0.78677%0.766SS**  trans-87.9130.8-17333.5-33.6000113.9
743F21.3Very low23.6Very low207 Ų207141.6 Ų141.691%0.90877%0.767SS**  trans-149.4163.5166.5-120.6-87.2000113.4
744C19.9Very low23.7Very low100 Ų100137.1 Ų137.168%0.67676%0.76SS**  trans-100.5175.5-167.7-62.80000114.4
745F20Very low23.9Very low190 Ų190133.2 Ų133.283%0.83375%0.752SS**  trans70.8120.9176-63.9-84.8000113.9
746S21.4Very low24.2Very low98 Ų98132.6 Ų132.669%0.68575%0.75SS**  69.8136.368-540000113.3
747Q21.5Very low24.2Very low180 Ų180134.9 Ų134.984%0.84175%0.754SS**  trans72.7150.8-179.2-55.1-173.612.600114.4
748L21.2Very low24.4Very low137 Ų137134.6 Ų134.672%0.71776%0.755SS**  cis-159.3149.7-16.7-107.6166.9000108.6
749V23.4Very low24.5Very low97 Ų97134 Ų13459%0.58875%0.751SS**  trans45.1119147.3173.40000120.9N751V749-N751 VanDerWaalsContact CG1-ND2 3.33Å; V749-N751 WeakPolarHBondContact CG1-ND2 3.2Å
750N25.4Very low24.5Very low148 Ų148137.5 Ų137.579%0.79175%0.751SS**  -156108.4121.4-103-37.5000108.3
751N24.4Very low24.6Very low109 Ų109143.7 Ų143.758%0.58376%0.757SS**  66110.785.3-68.3-31.2000111.9V749V749-N751 VanDerWaalsContact CG1-ND2 3.33Å; V749-N751 WeakPolarHBondContact CG1-ND2 3.2Å
752N27.1Very low24.7Very low140 Ų140147.1 Ų147.175%0.74976%0.761SS**  -160.1172.659.7-85.7-57.9000114.2
753N29.2Very low24.5Very low144 Ų144147.1 Ų147.177%0.7776%0.762SS**  trans62.686.7171.3-57.3-17.7000114.4
754S25.4Very low24.8Very low101 Ų101144 Ų14471%0.70675%0.754SS**  59.4126.561.1102.60000112.1
755Q29Very low25Very low156 Ų156149.2 Ų149.273%0.72976%0.759SS**  cis-148.1173.942.4-54.7-178.9-9.400115.7
756N29.5Very low25.3Very low133 Ų133146.6 Ų146.671%0.71175%0.75SS**  trans76.283.9149.9-56.2-29.1000121
757F23.4Very low25.6Very low199 Ų199145.8 Ų145.887%0.87374%0.744SS**  trans-55.3149.6133.5-86.6-92.2000110.2
758P29.1Very low26.1Very low122 Ų122143.2 Ų143.279%0.79274%0.736SS**  -151.8159.98240.5-21.9000119.1
759S23.8Very low26.5Very low95 Ų95143 Ų14366%0.66474%0.736SS**  trans-47.8155.6162.2-41.60000117.2
760K24.2Very low26.8Very low194 Ų194144.2 Ų144.284%0.84374%0.737SS**  trans67.1105.9156.3-64.5-178.8177.9-178.40119.1
761R25.4Very low27Very low243 Ų243143.2 Ų143.292%0.91773%0.732SS**  trans173.6135.8141.2-83.5137.4-149.4-104.810105.1
762Q25.1Very low27.2Very low176 Ų176143.4 Ų143.482%0.82273%0.733SS**  cis71.174.223-155.4179.518.500115.6
763C25.9Very low27.3Very low120 Ų120142.8 Ų142.881%0.81173%0.728SS**  trans-157.1128.2149.2-85.80000104.2
764I25.7Very low27.3Very low142 Ų142142.4 Ų142.473%0.72873%0.726SS**  cis67.913443.3-53.3176.3000112
765R24.9Very low27.4Very low210 Ų210143.9 Ų143.979%0.79273%0.726SS**  trans101.8136.2-174.8-63.5177.9-172.3-99.68.8112.7
766H27.4Very low27.2Very low135 Ų135140.5 Ų140.563%0.62572%0.72SS**  cis-155.3146.3-0.9-122.4-57.7000111
767S27Very low27Very low80 Ų80140.1 Ų140.156%0.55972%0.722SS**  trans65.1140.6133.8-74.30000121.4
768D32Very low27.2Very low127 Ų127136.2 Ų136.268%0.67972%0.715SS**  cis-146.9149.9-2.2-82.9-38.8000110.5
769D28.8Very low27Very low133 Ų133136.7 Ų136.771%0.71171%0.711SS**  trans57.4148.3133.3-68.21.9000122.4
770I29.7Very low27.1Very low121 Ų121137.7 Ų137.762%0.62171%0.708SS**  cis-161.7140.5-8.7-121.3168.2000108.8
771N30Very low27.2Very low128 Ų128134.7 Ų134.768%0.68470%0.702SS**  trans52162.9150.5-60-10.8000119.8
772N28.5Very low27.4Very low113 Ų113129.8 Ų129.860%0.60469%0.694SS**  cis-151.2136.4-13-115.51.6000107.2
773I29.7Very low27.5Very low127 Ų127127 Ų12765%0.65169%0.688SS**  63.8127.295.6-67-176.3000114.7
774N29Very low27.6Very low136 Ų136126.4 Ų126.473%0.72768%0.682SS**  trans72.9150.1158.9-74.2-7.5000119.5
775N26.4Very low27.8Very low132 Ų132126.1 Ų126.171%0.70668%0.681SS**  cis-164.1166.2-31.9-136.5-22.2000110.6
776S26.4Very low28.2Very low85 Ų85123.5 Ų123.559%0.59468%0.683SS**  trans50.3122.6145.568.30000122
777T24.8Very low28.3Very low124 Ų124123.5 Ų123.576%0.76169%0.687SS**  76.7121.8127.8560000122.8
778V27.1Very low28.7Very low118 Ų118125.1 Ų125.172%0.71570%0.696SS**  95.7114.6121.4165.60000120.6
779N25.7Very low28.8Very low132 Ų132124 Ų12471%0.70670%0.695SS**  trans80.7137.4142.2-835.3000124.6
780N26.5Very low28.8Very low115 Ų115123.9 Ų123.962%0.61569%0.693SS**  trans79103.7135.2-67.1-2.7000122.2
781N25.5Very low28.7Very low132 Ų132125.5 Ų125.571%0.70670%0.703SS**  78.2163.1120.4-60-9.2000120.7
782N29.1Very low28.5Very low140 Ų140126.9 Ų126.975%0.74971%0.708SS**  trans75.5110.2172.6-58.4-8.5000114.4
783T27.5Very low28.5Very low116 Ų116127.6 Ų127.671%0.71272%0.717SS**  63.1134.270.469.60000112.7
784T28.5Very low28.5Very low109 Ų109127.1 Ų127.167%0.66972%0.722SS**  cis-169.116923.2-8.90000111.9
785N30.4Very low28.6Very low135 Ų135127.3 Ų127.372%0.72272%0.723SS**  trans70.8140.3156.3-56.2-19000117.4
786N33.2Very low28.6Very low155 Ų155124.8 Ų124.883%0.82972%0.716SS**  cis-140.2163.824.6-79.3-67.5000114.4
787L29.5Very low29Very low135 Ų135128.3 Ų128.371%0.70772%0.72SS**  trans-106.6-173.6170.3-125.878.6000110I790L787-I790 HydrophobicContact CD2-CD1 3.77Å; L787-I790 HydrophobicContact CD2-CG1 4.36Å
788P33.8Very low29.3Very low115 Ų115131.3 Ų131.375%0.74772%0.723SS**  cis-148.2-15638.738.8-13000115.3
789P35.4Very low29.6Very low102 Ų102132.9 Ų132.966%0.66273%0.727SS**  -121.6137.7-65.634.2-18.8000113
790I28.1Very low29.7Very low131 Ų131136 Ų13667%0.67274%0.737SS**  59114.688.9-55.8165.5000116.3L787L787-I790 HydrophobicContact CD2-CD1 3.77Å; L787-I790 HydrophobicContact CD2-CG1 4.36Å
791L28.5Very low30Very low156 Ų156135.3 Ų135.382%0.81775%0.747SS**  -157.7120.4122-139.784.7000112.8
792I24.3Very low30.1Very low157 Ų157136 Ų13681%0.80575%0.751SS**  trans-139.2138.3162.7-63178.2000106.5
793T29.4Very low30.2Very low128 Ų128138.2 Ų138.279%0.78576%0.757SS**  trans-125.2110.2177.240.50000112.2
794P29Very low30.2Very low117 Ų117140.5 Ų140.576%0.7676%0.759SS**  trans-96.914616035.8-29.1000111
795D31.4Very low30.3Very low140 Ų140141.5 Ų141.575%0.74976%0.76SS**  trans-150.3-176.4155.1-152-15.6000110.6K797D795-K797 IonicContact OD1-NZ 3.08Å; D795-K797 PolarHBondContact OD1-NZ 3.24Å; D795-K797 VanDerWaalsContact OD1-NZ 3.08Å
796S27.2Very low30.1Very low78 Ų78141 Ų14155%0.54576%0.757SS.*  trans-153.4164.8-13957.80000113.6
797K33.3Very low29.9Very low159 Ų159141.3 Ų141.369%0.69175%0.754SS**  trans116.4149.3150.7-59.6149.6-166.7108.60116.5D795D795-K797 IonicContact OD1-NZ 3.08Å; D795-K797 PolarHBondContact OD1-NZ 3.24Å; D795-K797 VanDerWaalsContact OD1-NZ 3.08Å
798K32.7Very low29.8Very low188 Ų188141 Ų14182%0.81775%0.752SS**  trans76136.5167.1-58.9179-179.8174.40115.3
799N31.9Very low29.5Very low151 Ų151144.4 Ų144.481%0.80776%0.756SS**  cis-152.4161.3-0.6-110.2-4.3000112.1
800H29.1Very low29Very low198 Ų198149.5 Ų149.592%0.91776%0.763SS**  trans-88.3135.7169.6-81.8-92000112.5
801A31.5Very low29.1Very low99 Ų99151.5 Ų151.582%0.81877%0.77SS**  trans171.4126145.900000106.1
802N27.5Very low29Very low148 Ų148150 Ų15079%0.79176%0.763SS**  cis76.867.429.2-159.683.9000115.9
803E31.5Very low29Very low186 Ų186150.1 Ų150.187%0.86976%0.764SS**  trans-160.1110.3150-104.7155.3-148.100105.7
804H28.7Very low29Very low163 Ų163150 Ų15076%0.75577%0.766SS**  59.2113.484.6-104.4-61.1000116.1
805N29.1Very low28.8Very low130 Ų130149.4 Ų149.470%0.69576%0.764SS**  trans89.4131.6151.5-54.1-21.1000120.3
806N27.8Very low28.3Very low125 Ų125148.5 Ų148.567%0.66877%0.767SS**  trans74.9122.3151.9-70.332.4000121.2
807E29.1Very low28.5Very low162 Ų162154.9 Ų154.976%0.75779%0.785SS**  trans71.3135.3143.2-61.9162.6-135.500118.3
808L27.1Very low28.1Very low128 Ų128154.3 Ų154.367%0.6779%0.789SS**  cis-160.1160.5-11.2-121.3172.8000109.8
809F27.9Very low27.8Very low186 Ų186154 Ų15482%0.81679%0.788SS**  trans62108.5172.2-64-67.1000119
810Y24.4Very low27.6Very low210 Ų210156.1 Ų156.182%0.82479%0.79SS**  trans-105-177.5158.9-127.3-94.7000108.8
811E28.7Very low27.5Very low172 Ų172150.3 Ų150.380%0.80478%0.784SS**  trans83.8150.1162.2-50.2-153.5122.700119.7
812N26.9Very low27.5Very low126 Ų126153.3 Ų153.367%0.67479%0.786SS**  cis-178.3173.3-46.8-102.3-29.8000109
813L25.7Very low27.5Very low158 Ų158151.4 Ų151.483%0.82778%0.78SS**  trans-72.1-173.1155.8-60.9105.9000109
814P29.2Very low27.4Very low127 Ų127149.1 Ų149.183%0.82577%0.773SS**  cis-155.9-146.825.746.9-21.7000116.3
815S23.4Very low27.5Very low104 Ų104148.5 Ų148.573%0.72777%0.769SS**  trans-86.2155.3-176-44.30000115.5
816C21.5Very low27.6Very low121 Ų121148.1 Ų148.182%0.81877%0.767SS**  trans36119.7143.3-56.70000121.9
817K30.9Very low27.7Very low212 Ų212146.1 Ų146.192%0.92276%0.762SS**  -170.8161.1125.3-105.5160.5-175176.70112.9
818L24.7Very low27.7Very low147 Ų147146.7 Ų146.777%0.7776%0.763SS**  trans-90.7158.4175.3-58.788.2000111.4
819F26.4Very low27.9Very low182 Ų182147.1 Ų147.180%0.79876%0.761SS**  177.2152.4107.1-108.3-75.8000115
820K29.2Very low28.1Very low194 Ų194144.8 Ų144.884%0.84375%0.752SS**  trans38.2120.8153.6-93.4171.9175.61750120.3
821G26.8Very low28.4Very low76 Ų76142.3 Ų142.378%0.78475%0.748SS**  trans-107.4-167.8162.400000113.7
822N29.9Very low28.6Very low163 Ų163138 Ų13887%0.87274%0.737SS**  trans-153.8171.7163.7-143.9-6.6000111.5
823T27.6Very low28.7Very low108 Ų108138.1 Ų138.166%0.66374%0.737SS**  trans-99.3-178.4-158.757.80000116.6
824N30.9Very low29.1Very low137 Ų137138 Ų13873%0.73374%0.738SS**  trans97.5139.2166.8-52.7-53.8000115.7
825K29.7Very low29.2Very low150 Ų150140.1 Ų140.165%0.65274%0.736SS**  cis-172.5162.3-11.7-125.6171.7145.5-77.90110.7
826D32.1Very low29.6Very low123 Ų123140.2 Ų140.266%0.65873%0.734SS**  trans62.3153.5153-54-24.4000117.5
827S29.1Very low30Very low82 Ų82143.2 Ų143.257%0.57374%0.736SS**  cis-173.1169.9-21.450.50000111
828F30.3Very low30Very low174 Ų174138.3 Ų138.376%0.76373%0.726SS**  trans71.9128.3171.5-57.5-75.7000118.7
829Q30.9Very low30.1Very low138 Ų138139.8 Ų139.865%0.64573%0.733SS**  cis113.1148.33.6-164.6-173.18.700114.8
830H32.7Very low30.1Very low136 Ų136140.1 Ų140.163%0.6374%0.738SS**  trans89.7114.2175.2-62-74.7000117.4
831H30.7Very low30Very low159 Ų159136.8 Ų136.874%0.73674%0.736SS**  86.8142.360.5-84-88.1000111.8
832S33Very low29.9Very low80 Ų80138 Ų13856%0.55973%0.728SS**  cis-161.4162.58.8-127.20000113.7
833N28.8Very low29.7Very low129 Ų129139.8 Ų139.869%0.6972%0.724SS**  trans46.7128.5146.2-52.67.9000122.3
834D32.9Very low29.7Very low157 Ų157141.4 Ų141.484%0.8473%0.728SS**  -162.416697.4-111.2-23000113.7
835H31.4Very low29.3Very low170 Ų170142.2 Ų142.279%0.78773%0.732SS**  trans-102.1-175.7-171.4-66.5-75.1000113
836P33Very low29.1Very low106 Ų106140.2 Ų140.269%0.68874%0.736SS**  cis-134.4162.9-9.719.16000117.5
837H30Very low28.8Very low185 Ų185139.2 Ų139.286%0.85674%0.739SS**  trans66.4153.3150.6-75.3-57.9000121.9
838P29.7Very low28.4Very low108 Ų108140.8 Ų140.870%0.70175%0.75SS**  trans-130.7142.8-149.238.2-19.5000116.6
839L26.9Very low28.2Very low178 Ų178138 Ų13893%0.93275%0.75SS**  trans-136149.2155.5-73.9176.7000109.5
840Q25.7Very low27.8Very low190 Ų190135.7 Ų135.789%0.88875%0.749SS**  trans-73.8140.1-161.8-65.3171.5-59.300113.5
841P28.2Very low27.3Very low124 Ų124134.5 Ų134.581%0.80575%0.754SS**  trans-77.9146.8177.832.2-34.9000112.8
842T24.9Very low26.8Very low102 Ų102134.3 Ų134.363%0.62675%0.748SS**  trans-91.3176.9157.8-55.90000108.5
843Y26Very low26.3Very low199 Ų199140 Ų14078%0.7876%0.759SS**  trans77.5150.7169.8-44.6-67.3000114.9
844L26.6Very low25.9Very low142 Ų142139 Ų13974%0.74376%0.762SS**  cis-154.4-178.3-14.1-111.1167000109.2
845L23.3Very low25.4Very low155 Ų155138.1 Ų138.181%0.81276%0.756SS**  trans-48.3138.5-175.5-74.467.6000115.7
846S24.3Very low25Very low107 Ų107135.4 Ų135.475%0.74875%0.753SS**  -177.6151.5111.355.40000114.7
847S25.7Very low24.5Very low102 Ų102137.7 Ų137.771%0.71376%0.755SS**  trans18.9109.5153.455.10000121.8
848S22.1Very low24.2Very low116 Ų116135.7 Ų135.781%0.81175%0.75SS**  trans64.3175.2149.7-53.70000117.2
849P25.9Very low23.9Very low116 Ų116134.4 Ų134.475%0.75374%0.744SS**  cis-113.1-147-33.638.6-24.1000110.6
850S21.2Very low23.7Very low89 Ų89132.7 Ų132.762%0.62274%0.736SS**  trans-37.4130.3170.747.60000117.9
851C23Very low23.7Very low110 Ų110130.5 Ų130.574%0.74374%0.735SS**  trans-134.6120.7154.3-71.10000111Y853C851-Y853 HydrophobicContact CB-CD2 4.41Å
852Y20Very low23.3Very low156 Ų156132.2 Ų132.261%0.61273%0.726SS**  trans-71.4144.3157.8-101.7-114.8000109S108S108-Y852 WeakPolarHBondContact O-CE2 3.41Å
853Y22.7Very low23.1Very low199 Ų199133.3 Ų133.378%0.7873%0.733SS**  trans-138.5103.1161.8-100.4-76.3000111.2C851 I855C851-Y853 HydrophobicContact CB-CD2 4.41Å; Y853-I855 HydrophobicContact CD1-CD1 4Å; Y853-I855 HydrophobicContact CD1-CG1 4.28Å
854S20.3Very low23Very low108 Ų108131.3 Ų131.376%0.75573%0.734SS**  trans-90.4107.3174.2-530000109.5
855I23.1Very low22.9Very low138 Ų138131.1 Ų131.171%0.70873%0.732SS**  trans-149153.1175.95.3176.6000109.7Y853Y853-I855 HydrophobicContact CD1-CD1 4Å; Y853-I855 HydrophobicContact CD1-CG1 4.28Å
856P22.6Very low22.8Very low114 Ų114129.5 Ų129.574%0.7472%0.724SS**  -123.6176.2-90.739.6-28.4000113.3N858P856-N858 PolarHBondContact O-N 3.47Å
857Q21.5Very low22.7Very low154 Ų154132.3 Ų132.372%0.7273%0.731SS**  trans-6895.4167.8-67.8-173.75.800111.3Y907Q857-Y907 PolarHBondContact OE1-OH 3.4Å
858N24.3Very low22.6Very low142 Ų142132.5 Ų132.576%0.75974%0.738SS**  trans-158.5173135.4-127.3-73.9000115.6P856P856-N858 PolarHBondContact O-N 3.47Å
859S23.4Very low22.6Very low81 Ų81132.8 Ų132.857%0.56674%0.735SS**  trans-76.8161.3-166.253.60000116.2
860N22.8Very low22.3Very low143 Ų143134.4 Ų134.477%0.76574%0.738SS**  trans89.5156.4158.2-55.8-51.6000120.7
861T25.2Very low22.4Very low143 Ų143136.7 Ų136.788%0.87775%0.749SS**  trans67.972.2167.7350000119.8
862R20.4Very low22.3Very low160 Ų160136.2 Ų136.260%0.60475%0.745SS**  trans-12.8140.2139.8-154.2176.9-169.5168.42.9116.9D941 N943R862-D941 IonicContact CZ-OD2 3.57Å; R862-D941 IonicContact NH2-OD2 3.91Å; R862-D941 PolarHBondContact NH2-OD2 2.93Å; R862-N943 PolarHBondContact NH2-ND2 2.74Å
863T21.8Very low22.3Very low126 Ų126137.4 Ų137.477%0.77376%0.758SS**  trans69.8120.916014.20000120
864I23.2Very low22.2Very low156 Ų156133.5 Ų133.580%0.876%0.756SS**  -170.7136.3121.9-105.6163.8000112.9
865I23.7Very low22.4Very low138 Ų138132.1 Ų132.171%0.70875%0.751SS**  trans50.8113.5158-63.8173.2000118.3
866N21.4Very low22.3Very low122 Ų122134.8 Ų134.865%0.65275%0.753SS**  55.364.663.3-69.5-26.1000116.7
867N22.3Very low22.4Very low165 Ų165137.3 Ų137.388%0.88276%0.76SS**  trans-178.999.8140.5-94.8-16.9000112.9
868A23.4Very low22.5Very low106 Ų106135.8 Ų135.888%0.87676%0.756SS**  trans-158.276.1166.400000110.3
869T21.8Very low22.5Very low122 Ų122135 Ų13575%0.74875%0.751SS**  trans-88.3142.317545.90000111.6
870N21.4Very low22.5Very low150 Ų150138.2 Ų138.280%0.80276%0.762SS**  trans66.191.8169.8-57.3-20.4000117.1
871T22Very low22.6Very low138 Ų138136 Ų13685%0.84776%0.756SS**SBend-166.9154.9118.4150000112.1M873T871-M873 PolarHBondContact O-N 2.95Å
872C20.9Very low22.5Very low100 Ų100135.7 Ų135.768%0.67675%0.748SS**  trans20.383.2164.2-58.80000119T874C872-T874 PolarHBondContact O-N 2.79Å
873M20.6Very low22.6Very low180 Ų180133.2 Ų133.289%0.88776%0.755SS**  trans-89.376.4163.3-159.4-172.3-56.800110.5T871 A875T871-M873 PolarHBondContact O-N 2.95Å; M873-A875 PolarHBondContact O-N 2.95Å
874T21.2Very low22.6Very low118 Ų118135 Ų13572%0.72476%0.758SS**  trans-76.798.9164.5-45.60000106.8C872 Y876C872-T874 PolarHBondContact O-N 2.79Å; T874-Y876 WeakPolarHBondContact O-CD2 3.14Å; T874-Y876 PolarHBondContact O-N 2.83Å; T874-Y876 VanDerWaalsContact O-N 3.07Å
875A22.8Very low22.6Very low79 Ų79134 Ų13465%0.65375%0.753SS**  trans-74.7101.5-16600000112.3M873 L877M873-A875 PolarHBondContact O-N 2.95Å; A875-L877 PolarHBondContact O-N 3.07Å
876Y22.5Very low22.6Very low194 Ų194131.1 Ų131.176%0.76174%0.739SS**  trans-57.4126.9168.3-75.7-110.1000110.4T874T874-Y876 WeakPolarHBondContact O-CD2 3.14Å; T874-Y876 PolarHBondContact O-N 2.83Å; T874-Y876 VanDerWaalsContact O-N 3.07Å
877L23.8Very low22.7Very low167 Ų167130.9 Ų130.987%0.87474%0.737SS**  trans-131.911.2170.4-113166.9000113.1A875A875-L877 PolarHBondContact O-N 3.07Å
878L24.1Very low22.9Very low122 Ų122132 Ų13264%0.63973%0.729SS**  trans-110.496.8166.9-71165.4000107.4
879N24.4Very low22.9Very low124 Ų124134.8 Ų134.866%0.66372%0.724SS**SBendtrans166.170.7158.5-89.4-7.6000111.3
880N23.5Very low23Very low149 Ų149135.4 Ų135.480%0.79772%0.722SS**  trans174.4127.2143.1-97.4-30.3000110.1L882N880-L882 PolarHBondContact O-N 3.14Å; N880-L882 VanDerWaalsContact O-N 3.09Å
881P23.7Very low23Very low98 Ų98134.2 Ų134.264%0.63672%0.72SS**  trans-73.497.2164.430.7-31.2000109S883P881-S883 PolarHBondContact O-N 2.73Å
882L23.3Very low23.1Very low135 Ų135136.5 Ų136.571%0.70772%0.721SS**  trans-67.2114.4169.5-84.6166.6000108.9N880 I884N880-L882 PolarHBondContact O-N 3.14Å; N880-L882 VanDerWaalsContact O-N 3.09Å; L882-I884 PolarHBondContact O-N 3.33Å
883S22.3Very low23.2Very low108 Ų108136.6 Ų136.676%0.75572%0.723SS**  trans-60.8107.4-177-46.80000111.5P881 I885P881-S883 PolarHBondContact O-N 2.73Å; S883-I885 PolarHBondContact O-N 3.23Å
884I22.7Very low23.3Very low163 Ų163135.2 Ų135.284%0.83672%0.719SS**  trans-74.196.4172.3-57.9178.1000107.9L882 D886L882-I884 PolarHBondContact O-N 3.33Å; I884-D886 PolarHBondContact O-N 3.25Å
885I23.1Very low23.4Very low136 Ų136136.6 Ų136.670%0.69772%0.722SS**  trans-76.5106172.5-59.7175.4000107.8S883 L887S883-I885 PolarHBondContact O-N 3.23Å; I885-L887 HydrophobicContact CG2-CD2 4.19Å; I885-L887 HydrophobicContact CG2-CG 4.43Å; I885-L887 PolarHBondContact O-N 2.95Å
886D23.8Very low23.3Very low77 Ų77138.5 Ų138.541%0.41273%0.731SS.*  trans-75.292.4177.6-171.435.1000111.2I884 R888I884-D886 PolarHBondContact O-N 3.25Å; D886-R888 PolarHBondContact O-N 3.04Å; D886-R888 IonicContact OD1-CZ 3.8Å; D886-R888 IonicContact OD1-NE 3.43Å; D886-R888 PolarHBondContact OD1-NE 2.88Å; D886-R888 IonicContact OD1-NH2 2.94Å; D886-R888 PolarHBondContact OD1-NH2 3.28Å; D886-R888 IonicContact OD2-NE 3.47Å
887L24.1Very low23.3Very low117 Ų117134.9 Ų134.961%0.61373%0.729SS**G310 helixtrans-65.9-3.4179.1-68.1168.5000113.7I885 Q889 I890I885-L887 HydrophobicContact CG2-CD2 4.19Å; I885-L887 HydrophobicContact CG2-CG 4.43Å; I885-L887 PolarHBondContact O-N 2.95Å; L887-Q889 PolarHBondContact O-N 2.85Å; L887-I890 HydrophobicContact CD2-CD1 3.85Å; L887-I890 PolarHBondContact O-N 3.16Å
888R24.7Very low23.2Very low189 Ų189131 Ų13171%0.71373%0.729SS**G310 helixtrans-67.3-11.9177.7-72.7-178.5-84.4-156-7.6114.4D886 I890D886-R888 PolarHBondContact O-N 3.04Å; D886-R888 IonicContact OD1-CZ 3.8Å; D886-R888 IonicContact OD1-NE 3.43Å; D886-R888 PolarHBondContact OD1-NE 2.88Å; D886-R888 IonicContact OD1-NH2 2.94Å; D886-R888 PolarHBondContact OD1-NH2 3.28Å; D886-R888 IonicContact OD2-NE 3.47Å; R888-I890 VanDerWaalsContact C-N 3.32Å
889Q24.7Very low23.2Very low165 Ų165132.3 Ų132.377%0.77174%0.735SS**G310 helixtrans-81.5-2.7173.4-63.7-165.65.100114.7L887 T891L887-Q889 PolarHBondContact O-N 2.85Å; Q889-T891 VanDerWaalsContact C-N 3.31Å; Q889-T891 PolarHBondContact O-N 3.32Å
890I23.4Very low23.1Very low135 Ų135130.8 Ų130.869%0.69274%0.74SS**  trans-77.482.4176.4-55179.3000110L887 R888L887-I890 HydrophobicContact CD2-CD1 3.85Å; L887-I890 PolarHBondContact O-N 3.16Å; R888-I890 VanDerWaalsContact C-N 3.32Å
891T22.5Very low23.2Very low125 Ų125131.2 Ų131.277%0.76774%0.741SS**  trans-66147.4170.616.20000111.1Q889 S893Q889-T891 VanDerWaalsContact C-N 3.31Å; Q889-T891 PolarHBondContact O-N 3.32Å; T891-S893 PolarHBondContact O-N 3.14Å
892Q23.5Very low23.1Very low185 Ų185132.7 Ų132.786%0.86475%0.748SS**  trans-64.598.7-176-68.8176.6-19.600112.2
893S22.6Very low23.2Very low103 Ų103131.9 Ų131.972%0.7275%0.745SS**  trans-104.4105.6161.1680000109.8T891 N895T891-S893 PolarHBondContact O-N 3.14Å; S893-N895 VanDerWaalsContact C-N 3.25Å; S893-N895 PolarHBondContact O-N 3.18Å
894N23.3Very low23.3Very low150 Ų150136 Ų13680%0.80275%0.752SS**  trans-77.272.5178.4-74.6-33.7000110.8
895N22.5Very low23.4Very low147 Ų147133.5 Ų133.579%0.78674%0.74SS**SBendtrans-155149.4165.2-98.1-43.7000112.3S893 T897S893-N895 VanDerWaalsContact C-N 3.25Å; S893-N895 PolarHBondContact O-N 3.18Å; N895-T897 PolarHBondContact O-N 3.15Å
896S21.7Very low23.5Very low120 Ų120136.1 Ų136.184%0.83975%0.749SS**  trans-87.194.2-172.156.20000112.9
897T21.9Very low23.5Very low117 Ų117139.7 Ų139.772%0.71876%0.758SS**  trans-135.1116.4167.547.40000110.6N895N895-T897 PolarHBondContact O-N 3.15Å
898G21.5Very low23.4Very low86 Ų86140.6 Ų140.689%0.88777%0.768SS**PPolyproline II helixtrans-73.3133.6171.600000110.8
899I23.8Very low23.3Very low149 Ų149138.6 Ų138.676%0.76477%0.772SS**PPolyproline II helixtrans-103.6118.6179.4-60.4176.1000108.5I901I899-I901 HydrophobicContact CG2-CG1 4.48Å
900A22Very low23.2Very low93 Ų93136.1 Ų136.177%0.76977%0.77SS**PPolyproline II helixtrans-85.5123.1169.900000109.3
901I25.1Very low23.2Very low158 Ų158137 Ų13781%0.8177%0.774SS**  trans-96.2102.6172.5-57.7177.2000107.8I899I899-I901 HydrophobicContact CG2-CG1 4.48Å
902T22.7Very low23.2Very low128 Ų128135.3 Ų135.379%0.78576%0.764SS**  trans-75.8118.6167.843.80000109.3
903N25.2Very low23.2Very low119 Ų119133.8 Ų133.864%0.63676%0.761SS**  trans-75.6136168.7-167.5-18.3000108.6N905N903-N905 PolarHBondContact O-N 3.03Å; N903-N905 VanDerWaalsContact O-N 3.11Å; N903-N905 PolarHBondContact OD1-N 3.09Å
904E24.3Very low23.1Very low195 Ų195138.3 Ų138.391%0.91176%0.764SS**SBendtrans-69.9-5.7-177.6-65.4-174.3146.900113.3
905N25.7Very low23.2Very low110 Ų110136.1 Ų136.159%0.58876%0.756SS**SBendtrans-89.9121.5164.7-69.6-88.9000110.1N903 Y907N903-N905 PolarHBondContact O-N 3.03Å; N903-N905 VanDerWaalsContact O-N 3.11Å; N903-N905 PolarHBondContact OD1-N 3.09Å; N905-Y907 PolarHBondContact O-N 3.24Å
906H24.7Very low23.2Very low191 Ų191135.2 Ų135.288%0.88476%0.756SS**  trans-65.853.6-175.9-82.3-43000115.9
907Y24.1Very low23.3Very low152 Ų152136.2 Ų136.260%0.59675%0.752SS**  trans-110.6106.6171.1-78.2-81.6000110.7Q857 N905 N909Q857-Y907 PolarHBondContact OE1-OH 3.4Å; N905-Y907 PolarHBondContact O-N 3.24Å; Y907-N909 PolarHBondContact O-N 3.49Å
908T21.9Very low23.5Very low135 Ų135137.8 Ų137.883%0.82876%0.756SS**  trans-74.890-170.837.20000113.6
909N22.9Very low23.5Very low147 Ų147142.1 Ų142.179%0.78675%0.753SS**  trans-140.492.2166.7-85.6-58.4000111.5Y907 I911Y907-N909 PolarHBondContact O-N 3.49Å; N909-I911 PolarHBondContact O-N 3.1Å
910P22.1Very low23.7Very low114 Ų114143.8 Ų143.874%0.7476%0.757SS**  trans-72.7113.2175.129.3-32.8000111T912P910-T912 PolarHBondContact O-N 3.1Å; P910-T912 VanDerWaalsContact O-N 3.11Å
911I24.1Very low23.7Very low152 Ų152148.4 Ų148.478%0.77976%0.76SS**  trans-75.798.5172.8-60179000108.7N909 L913N909-I911 PolarHBondContact O-N 3.1Å; I911-L913 HydrophobicContact CG2-CG 4.49Å; I911-L913 PolarHBondContact O-N 3.21Å
912T22.7Very low23.7Very low90 Ų90148.2 Ų148.255%0.55276%0.76SS**  trans-87.1106.2179.5-52.30000111.1P910 Y914P910-T912 PolarHBondContact O-N 3.1Å; P910-T912 VanDerWaalsContact O-N 3.11Å; T912-Y914 HydrophobicContact CG2-CD2 4.02Å; T912-Y914 HydrophobicContact CG2-CE1 4.47Å; T912-Y914 HydrophobicContact CG2-CE2 3.53Å
913L23.1Very low23.7Very low153 Ų153149.3 Ų149.380%0.80176%0.76SS**  trans-88.3111.8173.8-69.4171.2000110.8I911I911-L913 HydrophobicContact CG2-CG 4.49Å; I911-L913 PolarHBondContact O-N 3.21Å
914Y20.9Very low23.6Very low198 Ų198149 Ų14978%0.77677%0.767SS**  trans-91.2120.6174.2-71.4-86.9000111.1T912T912-Y914 HydrophobicContact CG2-CD2 4.02Å; T912-Y914 HydrophobicContact CG2-CE1 4.47Å; T912-Y914 HydrophobicContact CG2-CE2 3.53Å
915T23.5Very low23.5Very low104 Ų104144.4 Ų144.464%0.63876%0.757SS**  trans-108.3106.8170.247.40000110.4N917T915-N917 PolarHBondContact O-N 3.46Å; T915-N917 VanDerWaalsContact O-N 3.09Å
916T24.4Very low23.4Very low128 Ų128144.1 Ų144.179%0.78576%0.763SS**  trans-85.578.5-176.553.70000112.2N918T916-N918 PolarHBondContact O-N 3.29Å
917N22Very low23.3Very low141 Ų141139.5 Ų139.575%0.75475%0.752SS**  trans-68124.3161.7-87.8-13.2000109.8T915T915-N917 PolarHBondContact O-N 3.46Å; T915-N917 VanDerWaalsContact O-N 3.09Å
918N26.3Very low23.2Very low150 Ų150137.9 Ų137.980%0.80276%0.763SS**  trans-140.581.2169.8-97.6-38.2000110.7T916 H920T916-N918 PolarHBondContact O-N 3.29Å; N918-H920 PolarHBondContact O-N 3.36Å
919H23.1Very low23.2Very low178 Ų178135.7 Ų135.782%0.82476%0.759SS**  trans-68.5114.8158.2-78.9-87.9000108.8
920H27.5Very low23.1Very low183 Ų183134.1 Ų134.185%0.84777%0.766SS**  trans-149.4134.8154.8-119.4-82.9000112.8N918N918-H920 PolarHBondContact O-N 3.36Å
921K22.5Very low23.2Very low190 Ų190133.9 Ų133.983%0.82676%0.763SS**  trans-73.9133.7175.1-62171.4177.5175.40110.3
922L24Very low23Very low155 Ų155131.7 Ų131.781%0.81277%0.767SS**  trans-177.7104.1142.3-93.5142.7000106.5
923L22.7Very low23Very low150 Ų150135.5 Ų135.579%0.78578%0.78SS**  63.2122.381.6-84.4155.1000114.4
924S23.3Very low22.9Very low114 Ų114131.1 Ų131.180%0.79777%0.772SS**  trans64.2146.9169.669.30000117.5
925S23Very low22.9Very low98 Ų98128.4 Ų128.469%0.68577%0.771SS**  cis-169149.5-2146.30000110.8
926S22.6Very low22.9Very low103 Ų103130.7 Ų130.772%0.7277%0.774SS**  trans62.2149.7151.455.20000122
927S23.2Very low22.8Very low95 Ų95131.5 Ų131.566%0.66478%0.779SS**  trans61.696.1149.355.90000120.5
928S22.2Very low22.9Very low117 Ų117131.6 Ų131.682%0.81878%0.779SS**  42.795.7122.362.90000119.6
929A22.1Very low22.6Very low89 Ų89135 Ų13574%0.73678%0.783SS**  trans-148.4123150.900000110.7V931A929-V931 HydrophobicContact CB-CG2 4.24Å; A929-V931 PolarHBondContact O-N 2.77Å
930A20.5Very low22.6Very low115 Ų115132.4 Ų132.495%0.9578%0.779SS**  trans-86.399.4169.200000109
931V22.5Very low22.4Very low109 Ų109128.8 Ų128.866%0.66177%0.766SS**  trans-131125178.4179.70000109.7A929 M933A929-V931 HydrophobicContact CB-CG2 4.24Å; A929-V931 PolarHBondContact O-N 2.77Å; V931-M933 PolarHBondContact O-N 2.95Å
932A21Very low22.5Very low105 Ų105126.5 Ų126.587%0.86876%0.762SS**  trans-88.998.5178.900000111.5
933M21.8Very low22.3Very low170 Ų170123.4 Ų123.484%0.83775%0.746SS**  trans-141.7136.5155.8-65.4-168.5-73.400106.5V931V931-M933 PolarHBondContact O-N 2.95Å
934G21.4Very low22.3Very low61 Ų61123 Ų12363%0.62975%0.745SS**  cis106130.613.800000109.8
935N22.3Very low22.2Very low141 Ų141125.7 Ų125.775%0.75475%0.75SS**  trans72.1146.1-176.5-54.4-20.2000114.8
936H21.9Very low22.2Very low152 Ų152125.8 Ų125.870%0.70475%0.751SS**  cis-150.2137.5-18.9-85.8-45.8000108.2
937V23.8Very low22.2Very low146 Ų146128.6 Ų128.689%0.88576%0.757SS**  trans-136142.4154.2-175.40000106.9
938N22.7Very low22.1Very low142 Ų142129.8 Ų129.876%0.75976%0.755SS**  trans-83.5143.2-150.8-65.4-40.4000115.4
939Y20.4Very low22.2Very low223 Ų223131.4 Ų131.488%0.87575%0.754SS**  trans-66.7128.7162.6-76.2-100.1000110.1
940V24Very low22.2Very low122 Ų122134.9 Ų134.974%0.73976%0.76SS**  trans-94.695.8164175.50000107.8L942V940-L942 VanDerWaalsContact C-N 3.27Å; V940-L942 HydrophobicContact CG1-CD1 3.9Å; V940-L942 HydrophobicContact CG1-CG 3.9Å; V940-L942 PolarHBondContact O-N 3.34Å
941D21.8Very low22.3Very low108 Ų108136.2 Ų136.258%0.57875%0.749SS**  trans-78.263.3-172.7-179.249000112.8R862 N943R862-D941 IonicContact CZ-OD2 3.57Å; R862-D941 IonicContact NH2-OD2 3.91Å; R862-D941 PolarHBondContact NH2-OD2 2.93Å; D941-N943 PolarHBondContact O-N 3.1Å; D941-N943 PolarHBondContact OD1-ND2 2.72Å; D941-N943 PolarHBondContact OD2-ND2 3.22Å
942L24.8Very low22.3Very low142 Ų142134.6 Ų134.674%0.74374%0.741SS**  trans-73.374.8178-79.5167.1000112.2V940 N944V940-L942 VanDerWaalsContact C-N 3.27Å; V940-L942 HydrophobicContact CG1-CD1 3.9Å; V940-L942 HydrophobicContact CG1-CG 3.9Å; V940-L942 PolarHBondContact O-N 3.34Å; L942-N944 VanDerWaalsContact C-N 3.33Å; L942-N944 PolarHBondContact O-N 3.28Å
943N20.6Very low22.3Very low89 Ų89136.5 Ų136.548%0.47674%0.735SS.*  trans-69.987.2163-76.6-95.8000110.1R862 D941R862-N943 PolarHBondContact NH2-ND2 2.74Å; D941-N943 PolarHBondContact O-N 3.1Å; D941-N943 PolarHBondContact OD1-ND2 2.72Å; D941-N943 PolarHBondContact OD2-ND2 3.22Å
944N22.4Very low22.4Very low142 Ų142133.4 Ų133.476%0.75973%0.73SS**SBendtrans-176.1161.7140.8-92.1-16.5000110.9L942 S946L942-N944 VanDerWaalsContact C-N 3.33Å; L942-N944 PolarHBondContact O-N 3.28Å; N944-S946 PolarHBondContact O-N 3.16Å
945N21.9Very low22.3Very low170 Ų170139 Ų13991%0.90973%0.734SS**  trans-65.992.2-168.2-61.4-26.6000114.4
946S22.4Very low22.4Very low101 Ų101141 Ų14171%0.70674%0.738SS**  trans-141.6127.8164-73.20000111.2N944 I948N944-S946 PolarHBondContact O-N 3.16Å; S946-I948 PolarHBondContact O-N 2.84Å
947L21.6Very low22.5Very low162 Ų162138.3 Ų138.385%0.84874%0.736SS**  trans-82.889.5171.5-81.5165.9000109.8
948I22.5Very low22.5Very low119 Ų119139.4 Ų139.461%0.6174%0.737SS**  trans-98.2116.5168.8-61.3175.1000108S946 L950S946-I948 PolarHBondContact O-N 2.84Å; I948-L950 PolarHBondContact O-N 2.91Å
949N23.9Very low22.5Very low152 Ų152138.4 Ų138.481%0.81373%0.731SS**  trans-70.4112.5166.8-84.4-13.9000108.8I951N949-I951 PolarHBondContact O-N 3.25Å
950L22.6Very low22.6Very low162 Ų162132.5 Ų132.585%0.84872%0.722SS**  trans-74.7105.2174.9-75.4162.7000109.7I948I948-L950 PolarHBondContact O-N 2.91Å
951I22.1Very low22.5Very low142 Ų142131.4 Ų131.473%0.72872%0.717SS**  trans-66.7129.1168.2-60.1173.5000108.4N949 I953N949-I951 PolarHBondContact O-N 3.25Å; I951-I953 PolarHBondContact O-N 3.01Å
952P22Very low22.5Very low75 Ų75135 Ų13549%0.48773%0.728SS.*  trans-67.1116.4175.2-1830.6000111.6D138 S954D138-P952 VanDerWaalsContact OD2-CG 3.25Å; D138-P952 WeakPolarHBondContact OD2-CG 3.31Å; P952-S954 PolarHBondContact O-N 2.81Å; P952-S954 VanDerWaalsContact O-N 3.09Å
953I20.7Very low22.3Very low146 Ų146135.3 Ų135.375%0.74973%0.729SS**  trans-8382.7171.3-53.6177.2000108.7I951 Y955I951-I953 PolarHBondContact O-N 3.01Å; I953-Y955 HydrophobicContact CG2-CD2 4.27Å; I953-Y955 HydrophobicContact CG2-CE2 4.13Å; I953-Y955 PolarHBondContact O-N 3.03Å
954S23.8Very low22.4Very low105 Ų105138.5 Ų138.573%0.73474%0.743SS**  trans-77.9103.1171.656.30000110.5P952 H956P952-S954 PolarHBondContact O-N 2.81Å; P952-S954 VanDerWaalsContact O-N 3.09Å; S954-H956 PolarHBondContact O-N 3.43Å
955Y20.8Very low22.4Very low179 Ų179135.8 Ų135.870%0.70274%0.735SS**  trans-60.4127.2175.6-87.2-100.9000111.8I953 S957I953-Y955 HydrophobicContact CG2-CD2 4.27Å; I953-Y955 HydrophobicContact CG2-CE2 4.13Å; I953-Y955 PolarHBondContact O-N 3.03Å; Y955-S957 PolarHBondContact O-N 3.32Å
956H23.4Very low22.5Very low181 Ų181135 Ų13584%0.83873%0.731SS**  trans-68.8110.9168.3-93-69.2000110.7S954S954-H956 PolarHBondContact O-N 3.43Å
957S25.1Very low22.5Very low97 Ų97135 Ų13568%0.67873%0.727SS**  trans-110.981.4170.261.40000111.2Y955 I959Y955-S957 PolarHBondContact O-N 3.32Å; S957-I959 VanDerWaalsContact C-N 3.35Å; S957-I959 PolarHBondContact O-N 3.38Å
958N22.9Very low22.5Very low168 Ų168133.7 Ų133.790%0.89872%0.719SS**SBendtrans3845.8159.5-65.13.5000118.5
959I23.3Very low22.5Very low122 Ų122135.9 Ų135.963%0.62673%0.729SS**  trans-127.8110.1161.8-59.1178.5000107.3S957 P961S957-I959 VanDerWaalsContact C-N 3.35Å; S957-I959 PolarHBondContact O-N 3.38Å; I959-P961 WeakPolarHBondContact O-CD 3.25Å
960S21.8Very low22.5Very low99 Ų99136.5 Ų136.569%0.69273%0.732SS**  trans-80116.6172.636.10000109.7F962S960-F962 PolarHBondContact O-N 2.6Å
961P22.1Very low22.5Very low98 Ų98133.7 Ų133.764%0.63672%0.722SS**  trans-67.9116.816429-31.3000107.5I959 I963I959-P961 WeakPolarHBondContact O-CD 3.25Å; P961-I963 HydrophobicContact CB-CG1 4.33Å; P961-I963 PolarHBondContact O-N 2.79Å
962F21Very low22.5Very low184 Ų184133.1 Ų133.181%0.80773%0.725SS**  trans-77.174.8179.6-140.4-81.2000109.5S960 M964S960-F962 PolarHBondContact O-N 2.6Å; F962-M964 PolarHBondContact O-N 3.19Å
963I22.6Very low22.5Very low148 Ų148137 Ų13776%0.75974%0.741SS**  trans-7095.6176.2-58177.5000107.5P961 S965P961-I963 HydrophobicContact CB-CG1 4.33Å; P961-I963 PolarHBondContact O-N 2.79Å; I963-S965 PolarHBondContact O-N 3.09Å
964M21.6Very low22.6Very low156 Ų156134.9 Ų134.977%0.76874%0.739SS**  trans-67.4116.6175.9-170.7168.1-72.900108.9F962 N966F962-M964 PolarHBondContact O-N 3.19Å; M964-N966 PolarHBondContact O-N 3.11Å
965S22.1Very low22.7Very low85 Ų85135.1 Ų135.159%0.59474%0.736SS**  trans-58.9136179.51780000110.7I963 T967I963-S965 PolarHBondContact O-N 3.09Å; S965-T967 WeakPolarHBondContact CB-OG1 3.29Å; S965-T967 PolarHBondContact O-N 2.91Å; S965-T967 PolarHBondContact O-OG1 3.46Å; S965-T967 PolarHBondContact OG-OG1 3.25Å
966N23.5Very low23Very low154 Ų154131.3 Ų131.382%0.82473%0.727SS**SBendtrans-81.863.5-172.1-145.8-4.7000110.9M964M964-N966 PolarHBondContact O-N 3.11Å
967T22.5Very low23.1Very low101 Ų101128.1 Ų128.162%0.6272%0.72SS**  trans-138.249.2-166.539.90000112.9S965S965-T967 WeakPolarHBondContact CB-OG1 3.29Å; S965-T967 PolarHBondContact O-N 2.91Å; S965-T967 PolarHBondContact O-OG1 3.46Å; S965-T967 PolarHBondContact OG-OG1 3.25Å
968I23.1Very low23.1Very low135 Ų135129.7 Ų129.769%0.69272%0.718SS**  trans-147.7110.9153.3-81.4115.8000104.8
969M22.1Very low23.2Very low164 Ų164127.3 Ų127.381%0.80871%0.71SS**  6171.665.1-67.4-81.4-84.400114.3T971M969-T971 PolarHBondContact O-N 3.47Å; M969-T971 VanDerWaalsContact O-N 3.15Å; M969-T971 PolarHBondContact O-OG1 2.74Å
970N22.5Very low23.5Very low166 Ų166127 Ų12789%0.88871%0.714SS**SBendtrans50.853.6131.8-155.727.6000116.8
971T22.9Very low23.6Very low103 Ų103129.9 Ų129.963%0.63272%0.722SS**  trans-134.9147.3178.335.30000112.3M969M969-T971 PolarHBondContact O-N 3.47Å; M969-T971 VanDerWaalsContact O-N 3.15Å; M969-T971 PolarHBondContact O-OG1 2.74Å
972T22Very low23.7Very low130 Ų130130.5 Ų130.580%0.79873%0.729SS**SBendtrans-83.6139.6-173.448.30000113.4
973L22.4Very low24Very low157 Ų157126.3 Ų126.382%0.82272%0.722SS**  trans56.474.7158.6-159.778.4000116
974S23.8Very low24.1Very low100 Ų100127.9 Ų127.970%0.69973%0.732SS**  trans-98113.7173.6-56.70000112.9
975T25.6Very low24.2Very low110 Ų110126.2 Ų126.268%0.67573%0.725SS**  trans-77.1121.4170.9-53.50000110.4
976I26Very low24.3Very low99 Ų99128.8 Ų128.851%0.50874%0.737SS.*  trans-97.5111.8178.6-57.4176.3000109.9M978I976-M978 HydrophobicContact CG2-CG 4.47Å
977T25.7Very low24.4Very low115 Ų115125.7 Ų125.771%0.70673%0.727SS**  trans-98.6125.7175.4-53.30000110.2
978M25.5Very low24.4Very low129 Ų129126.3 Ų126.364%0.63573%0.732SS**  trans-114.1116.2179.2-79.2-81.5-7400110.7I976I976-M978 HydrophobicContact CG2-CG 4.47Å
979T25.6Very low24.4Very low119 Ų119123.4 Ų123.473%0.7373%0.727SS**  trans-109.4118.8173.348.60000110.4
980T28.3Very low24.5Very low114 Ų114125.9 Ų125.970%0.69973%0.729SS**  trans-114116.7175.9540000110.3
981D24.7Very low24.7Very low160 Ų160122.7 Ų122.786%0.85672%0.716SS**  trans-67.6154.1178.7-86.8-40.8000113.5S983D981-S983 PolarHBondContact O-N 3.09Å
982S25.4Very low24.8Very low112 Ų112125.5 Ų125.578%0.78373%0.727SS**SBendtrans-87.590-158.348.10000114.7
983S26.1Very low24.9Very low95 Ų95124.5 Ų124.566%0.66471%0.711SS**SBendtrans-155.710315349.10000115.3D981 I985D981-S983 PolarHBondContact O-N 3.09Å; S983-I985 VanDerWaalsContact C-N 3.34Å; S983-I985 PolarHBondContact O-N 3.26Å
984N25.3Very low25Very low182 Ų182123 Ų12397%0.97371%0.709SS**SBendtrans53.723146.7-11317.8000120.3
985I24.2Very low25Very low120 Ų120121 Ų12162%0.61570%0.695SS**  trans-111.8123.8174.6-59.7171.3000110.5S983 S987S983-I985 VanDerWaalsContact C-N 3.34Å; S983-I985 PolarHBondContact O-N 3.26Å; I985-S987 VanDerWaalsContact C-N 3.3Å; I985-S987 WeakPolarHBondContact CG2-OG 3.23Å; I985-S987 PolarHBondContact O-N 3.23Å
986T24.3Very low24.9Very low140 Ų140123.5 Ų123.586%0.85970%0.704SS**  trans-79.375.1169.850.70000110.6T988T986-T988 PolarHBondContact O-N 2.9Å; T986-T988 VanDerWaalsContact O-N 3.16Å
987S23.8Very low24.8Very low88 Ų88123.8 Ų123.862%0.61571%0.71SS**  trans-73.4100.7-179.2-65.30000112.2I985 A989I985-S987 VanDerWaalsContact C-N 3.3Å; I985-S987 WeakPolarHBondContact CG2-OG 3.23Å; I985-S987 PolarHBondContact O-N 3.23Å; S987-A989 PolarHBondContact O-N 3.17Å; S987-A989 VanDerWaalsContact O-N 3.09Å
988T24.1Very low24.7Very low115 Ų115123.1 Ų123.171%0.70671%0.706SS**  trans-75.190.7166.851.50000110.2T986 Y990T986-T988 PolarHBondContact O-N 2.9Å; T986-T988 VanDerWaalsContact O-N 3.16Å; T988-Y990 PolarHBondContact O-N 3.2Å
989A23.4Very low24.6Very low73 Ų73119.7 Ų119.760%0.60370%0.695SS**  trans-74.1109.5174.200000110.8S987 V991S987-A989 PolarHBondContact O-N 3.17Å; S987-A989 VanDerWaalsContact O-N 3.09Å; A989-V991 PolarHBondContact O-N 3.3Å
990Y24Very low24.6Very low216 Ų216119 Ų11985%0.84769%0.69SS**  trans-83.4103.5169.1-77.6-91.6000109.5T988T988-Y990 PolarHBondContact O-N 3.2Å
991V25.2Very low24.5Very low100 Ų100116.8 Ų116.861%0.60668%0.679SS**  trans-95.3101.4174-169.30000108.9A989 F993A989-V991 PolarHBondContact O-N 3.3Å; V991-F993 HydrophobicContact CB-CD2 4.37Å; V991-F993 HydrophobicContact CB-CE2 4.17Å; V991-F993 HydrophobicContact CG1-CD2 3.68Å; V991-F993 HydrophobicContact CG1-CE1 4.3Å; V991-F993 HydrophobicContact CG1-CE2 3.35Å; V991-F993 HydrophobicContact CG1-CG 4.29Å; V991-F993 HydrophobicContact CG1-CZ 3.7Å; V991-F993 PolarHBondContact O-N 2.94Å
992N24.9Very low24.6Very low161 Ų161113.3 Ų113.386%0.86166%0.663SS**  trans-90.385.4-175.2-145.622.7000110.2T994N992-T994 PolarHBondContact O-N 3.39Å
993F24.9Very low24.6Very low109 Ų109112.9 Ų112.948%0.47866%0.656SS.*  trans-79.3110.8-178.2-79.9-71000112.7V991 C995V991-F993 HydrophobicContact CB-CD2 4.37Å; V991-F993 HydrophobicContact CB-CE2 4.17Å; V991-F993 HydrophobicContact CG1-CD2 3.68Å; V991-F993 HydrophobicContact CG1-CE1 4.3Å; V991-F993 HydrophobicContact CG1-CE2 3.35Å; V991-F993 HydrophobicContact CG1-CG 4.29Å; V991-F993 HydrophobicContact CG1-CZ 3.7Å; V991-F993 PolarHBondContact O-N 2.94Å; F993-C995 VanDerWaalsContact C-N 3.31Å; F993-C995 PolarHBondContact O-N 3.21Å; F993-C995 VanDerWaalsContact O-N 3.13Å
994T24.5Very low24.5Very low126 Ų126113.2 Ų113.277%0.77365%0.654SS**  trans-81.773.9162.851.40000110.4N992 N996N992-T994 PolarHBondContact O-N 3.39Å; T994-N996 PolarHBondContact O-N 3.27Å; T994-N996 VanDerWaalsContact O-N 3.17Å
995C24.6Very low24.6Very low58 Ų58109.7 Ų109.739%0.39264%0.64SS.*  trans-77.595.3-178.1-80.10000113.1F993 T997F993-C995 VanDerWaalsContact C-N 3.31Å; F993-C995 PolarHBondContact O-N 3.21Å; F993-C995 VanDerWaalsContact O-N 3.13Å; C995-T997 VanDerWaalsContact C-N 3.25Å
996N23.4Very low24.6Very low162 Ų162109 Ų10987%0.86664%0.641SS**SBendtrans-80.9-4.7160.2-76.11.9000112.8T994T994-N996 PolarHBondContact O-N 3.27Å; T994-N996 VanDerWaalsContact O-N 3.17Å
997T23.7Very low24.6Very low106 Ų106108.2 Ų108.265%0.6564%0.636SS**SBendtrans-143.2149.2-179.644.50000111.7C995 S999C995-T997 VanDerWaalsContact C-N 3.25Å; T997-S999 PolarHBondContact O-N 3.42Å; T997-S999 PolarHBondContact O-OG 3.13Å; T997-S999 VanDerWaalsContact O-OG 3.13Å
998V23.2Very low24.7Very low100 Ų100109.7 Ų109.761%0.60664%0.642SS**  trans-60.2120.7-178.8179.80000110.3
999S24.1Very low24.8Very low58 Ų58110.4 Ų110.441%0.40665%0.646SS.*  trans-133.6111.9-175.1-610000111T997T997-S999 PolarHBondContact O-N 3.42Å; T997-S999 PolarHBondContact O-OG 3.13Å; T997-S999 VanDerWaalsContact O-OG 3.13Å
1000T25.3Very low24.9Very low104 Ų104111.4 Ų111.464%0.63866%0.655SS**  trans-84121.2172.446.90000110.7
1001C25.7Very low24.9Very low68 Ų68108 Ų10846%0.45966%0.656SS.*  trans-104.6126.8174.2-167.50000110.7
1002T25.9Very low25Very low86 Ų86108.7 Ų108.753%0.52867%0.666SS.*  trans-117.3117.2176.917.70000110.1
1003T26.2Very low25.1Very low103 Ų103106.8 Ų106.863%0.63267%0.665SS**  trans-96.9112.6177.3-46.30000110.5
1004T24.8Very low25.2Very low102 Ų102107 Ų10763%0.62668%0.68SS**  trans-108.6115.8176.5-55.90000109.8
1005T25.8Very low25.4Very low109 Ų109108.9 Ų108.967%0.66969%0.685SS**  trans-100.6103.6177.6-49.60000110.7
1006T23.8Very low25.5Very low106 Ų106111.3 Ų111.365%0.6570%0.703SS**  trans-90.9104.5175.932.60000111.6T1008T1006-T1008 PolarHBondContact O-N 3.37Å
1007T26Very low25.9Very low123 Ų123108 Ų10876%0.75569%0.693SS**  trans-85.6101.7173.452.50000111.5T1009T1007-T1009 PolarHBondContact O-N 3.48Å
1008T25.5Very low26.2Very low119 Ų119109.8 Ų109.873%0.7370%0.698SS**  trans-72.5110.7169.429.50000110.9T1006 A1010T1006-T1008 PolarHBondContact O-N 3.37Å; T1008-A1010 PolarHBondContact O-N 2.93Å
1009T25.4Very low26.3Very low129 Ų129111.7 Ų111.779%0.79171%0.705SS**  trans-74.191174.348.60000110.9T1007 T1011T1007-T1009 PolarHBondContact O-N 3.48Å; T1009-T1011 PolarHBondContact O-N 2.85Å
1010A25.9Very low26.7Very low95 Ų95116 Ų11679%0.78573%0.729SS**  trans-65.4115.317200000110.8T1008 S1012T1008-A1010 PolarHBondContact O-N 2.93Å; A1010-S1012 PolarHBondContact O-N 3.25Å; A1010-S1012 VanDerWaalsContact O-N 3.14Å
1011T25.2Very low26.6Very low144 Ų144114.9 Ų114.988%0.88374%0.739SS**  trans-76.994.3-178.332.30000112.1T1009T1009-T1011 PolarHBondContact O-N 2.85Å
1012S27.2Very low26.7Very low115 Ų115117.5 Ų117.580%0.80476%0.758SS**  trans-81126.6166.855.30000111.1A1010 S1014A1010-S1012 PolarHBondContact O-N 3.25Å; A1010-S1012 VanDerWaalsContact O-N 3.14Å; S1012-S1014 PolarHBondContact O-N 3.13Å
1013S25Very low26.7Very low121 Ų121119.4 Ų119.485%0.84677%0.769SS**  trans-83.5114.5-170.643.70000114.3
1014S28.4Very low26.6Very low114 Ų114120.4 Ų120.480%0.79778%0.775SS**  trans-143.8121.1155.357.60000109S1012S1012-S1014 PolarHBondContact O-N 3.13Å
1015N27.3Very low26.6Very low164 Ų164121.5 Ų121.588%0.87778%0.777SS**  trans-76152.9-168.5-80.9-23.8000114.1
1016S28.2Very low26.5Very low109 Ų109121.9 Ų121.976%0.76278%0.78SS**  trans94118.7158.7-157.30000119.6
1017S30.7Very low26.5Very low94 Ų94122.4 Ų122.466%0.65778%0.782SS**  trans6980.6141.553.90000120.9
1018N29.7Very low26.3Very low142 Ų142121.7 Ų121.776%0.75978%0.777SS**  70105.6120.4-59.7-0.7000121.9
1019N25.7Very low26.3Very low141 Ų141120.6 Ų120.675%0.75477%0.771SS**  65.2107.8127.1-54-9.5000118.3
1020T31.9Very low26.2Very low147 Ų147119.1 Ų119.190%0.90276%0.762SS**  -157.9126.469.921.30000111.1
1021G25Very low26Very low82 Ų82118 Ų11885%0.84575%0.752SS**  trans-96.6146.2-171.900000114.5
1022S26.4Very low25.9Very low123 Ų123116.3 Ų116.386%0.8674%0.742SS**  trans-102.8113.2170.6178.30000109.6
1023T26.4Very low25.8Very low125 Ų125116.3 Ų116.377%0.76773%0.731SS**  trans-78.9135.1175.546.20000111.2
1024T25.2Very low25.7Very low124 Ų124115.8 Ų115.876%0.76172%0.723SS**  trans-81.5116.8171.846.40000111V1026T1024-V1026 PolarHBondContact O-N 3.4Å
1025D23.4Very low25.6Very low125 Ų125114.4 Ų114.467%0.66871%0.71SS**  trans-58.8115.2169.4-69.8-25.4000110.2K1055D1025-K1055 IonicContact OD2-NZ 3.32Å; D1025-K1055 PolarHBondContact OD2-NZ 3.24Å
1026V24Very low25.4Very low118 Ų118112.3 Ų112.372%0.71570%0.703SS**  trans-103.3114.7167.2178.80000108T1024 V1028T1024-V1026 PolarHBondContact O-N 3.4Å; V1026-V1028 PolarHBondContact O-N 3.09Å
1027V23.1Very low25.1Very low117 Ų117111 Ų11171%0.70971%0.707SS**  trans-79.7114.6-179.1-1800000109.7
1028V23.5Very low24.8Very low107 Ų107110.8 Ų110.865%0.64870%0.698SS**  trans-85.7109.1171.8179.40000108.8V1026 T1030V1026-V1028 PolarHBondContact O-N 3.09Å; V1028-T1030 HydrophobicContact CG1-CG2 4.49Å
1029T23.9Very low24.5Very low96 Ų96108.8 Ų108.859%0.58969%0.694SS**  trans-97.599.7177.5-51.50000110.8A1031T1029-A1031 PolarHBondContact O-N 3.29Å
1030T23.2Very low24.4Very low99 Ų99110 Ų11061%0.60770%0.701SS**  trans-8394.4174.234.70000111.7V1028 V1032V1028-T1030 HydrophobicContact CG1-CG2 4.49Å; T1030-V1032 PolarHBondContact O-N 3.21Å
1031A22.8Very low23.9Very low70 Ų70110.2 Ų110.258%0.57970%0.697SS**  trans-81.998.2175.900000111.8T1029 I1033T1029-A1031 PolarHBondContact O-N 3.29Å; A1031-I1033 PolarHBondContact O-N 2.93Å
1032V23.9Very low23.9Very low110 Ų110115.6 Ų115.667%0.66769%0.693SS**  trans-80.3108.2170.1-179.10000109.2T1030 T1034T1030-V1032 PolarHBondContact O-N 3.21Å; V1032-T1034 HydrophobicContact CG1-CG2 4.48Å
1033I24.5Very low23.7Very low115 Ų115117.6 Ų117.659%0.5969%0.692SS**  trans-98.6104.7177.2-59.4177.8000109.2A1031 T1035A1031-I1033 PolarHBondContact O-N 2.93Å; I1033-T1035 HydrophobicContact CG2-CG2 3.95Å
1034T23.2Very low23.5Very low110 Ų110118 Ų11868%0.67569%0.686SS**  trans-104.694.9170.9350000110.6V1032V1032-T1034 HydrophobicContact CG1-CG2 4.48Å
1035T25.6Very low23.3Very low84 Ų84118.4 Ų118.452%0.51569%0.688SS.*  trans-94.998.5175.339.70000111.4I1033I1033-T1035 HydrophobicContact CG2-CG2 3.95Å
1036T22.5Very low23.3Very low120 Ų120119.7 Ų119.774%0.73669%0.693SS**  trans-106.2111.3171.753.70000111
1037G21.5Very low23.3Very low81 Ų81123.6 Ų123.684%0.83570%0.7SS**  trans53.793.4158.400000118.4
1038I25.1Very low23.4Very low91 Ų91122.9 Ų122.947%0.46770%0.696SS.*  trans-150.7124168.42.1167.3000105.6Q1044I1038-Q1044 HydrophobicContact CD1-CG 4.29Å
1039S24.3Very low23.4Very low99 Ų99122 Ų12269%0.69270%0.695SS**  cis70.2114.937.6-165.40000112.1D1041S1039-D1041 VanDerWaalsContact C-N 3.27Å; S1039-D1041 PolarHBondContact O-N 2.8Å; S1039-D1041 VanDerWaalsContact O-N 3.1Å
1040D23.9Very low23.6Very low167 Ų167123.1 Ų123.189%0.89370%0.697SS**THydrogen-bonded Turntrans-74.8-2.4-155.4-56.4-79.4000116.4
1041D21.4Very low23.6Very low152 Ų152125 Ų12581%0.81370%0.704SS**THydrogen-bonded Turntrans-118.127.6-162.4-98.4-39.8000115.4S1039S1039-D1041 VanDerWaalsContact C-N 3.27Å; S1039-D1041 PolarHBondContact O-N 2.8Å; S1039-D1041 VanDerWaalsContact O-N 3.1Å
1042Y23.9Very low23.7Very low194 Ų194128.8 Ų128.876%0.76171%0.714SS**  trans-138118.9175.4-107.6-82.3000117.2Q1044Y1042-Q1044 PolarHBondContact O-N 3.3Å
1043I21.4Very low24Very low165 Ų165128.2 Ų128.285%0.84672%0.715SS**  trans-73.5101.9165.7-57.9174000108.8
1044Q23Very low24Very low135 Ų135130.9 Ų130.963%0.63173%0.73SS**  trans-82.8142.8175.9-68.7-159-1.600113I1038 Y1042I1038-Q1044 HydrophobicContact CD1-CG 4.29Å; Y1042-Q1044 PolarHBondContact O-N 3.3Å
1045T22.2Very low24.1Very low131 Ų131131.9 Ų131.980%0.80473%0.725SS**  trans-93.7119.5-177.2-59.30000111K1047T1045-K1047 PolarHBondContact O-N 3.42Å
1046I23.1Very low24Very low152 Ų152134.5 Ų134.578%0.77975%0.746SS**  trans-69.3113.5178.2-56.6175000110.1V1048I1046-V1048 HydrophobicContact CG2-CG2 4.19Å
1047K23.6Very low24.1Very low200 Ų200138.5 Ų138.587%0.8775%0.749SS**  trans-87.8105.1164-84.4-174.9174.7178.20109.8T1045T1045-K1047 PolarHBondContact O-N 3.42Å
1048V24.9Very low24.2Very low102 Ų102139.6 Ų139.662%0.61874%0.744SS**  trans-78.4129.7160.4-174.90000107.8I1046I1046-V1048 HydrophobicContact CG2-CG2 4.19Å
1049S23.6Very low24.1Very low89 Ų89144.8 Ų144.862%0.62276%0.763SS**  trans-121.283.7-178.1-170.50000110.3N1051S1049-N1051 VanDerWaalsContact C-N 3.34Å; S1049-N1051 PolarHBondContact O-N 3.22Å
1050D27.1Very low24.1Very low120 Ų120149.1 Ų149.164%0.64277%0.769SS**  trans-71.785.4-179.2-65.9-34.1000111.3N1052D1050-N1052 PolarHBondContact O-N 2.85Å
1051N24Very low24.1Very low139 Ų139146.7 Ų146.774%0.74377%0.765SS**  trans-73.659.4174.6-74.3-9.7000111.9S1049S1049-N1051 VanDerWaalsContact C-N 3.34Å; S1049-N1051 PolarHBondContact O-N 3.22Å
1052N25.4Very low24.3Very low149 Ų149147.7 Ų147.780%0.79777%0.769SS**SBendtrans169.7149.9143.6-89.6-41.9000113.7D1050D1050-N1052 PolarHBondContact O-N 2.85Å
1053S29.1Very low24.2Very low97 Ų97145.4 Ų145.468%0.67877%0.77SS**  trans75.190.2161.175.30000120.5K1055S1053-K1055 PolarHBondContact O-N 2.96Å
1054N24.6Very low24.3Very low172 Ų172145.5 Ų145.592%0.9277%0.768SS**  trans-14.176.5150.2-65.1-24.2000118.9
1055K25.7Very low24.4Very low130 Ų130145.5 Ų145.557%0.56577%0.773SS**  trans-129.398.8163.7-77.2175.8-176.5161.40111D1025 S1053 Y1057D1025-K1055 IonicContact OD2-NZ 3.32Å; D1025-K1055 PolarHBondContact OD2-NZ 3.24Å; S1053-K1055 PolarHBondContact O-N 2.96Å; K1055-Y1057 HydrophobicContact CB-CE2 4.12Å; K1055-Y1057 PolarHBondContact O-N 3.38Å
1056C23.3Very low24.4Very low140 Ų140144.5 Ų144.595%0.94678%0.778SS**  trans-74.8105.2178-70.20000111.8
1057Y24.2Very low24.5Very low204 Ų204145.9 Ų145.980%0.878%0.778SS**  trans-90.1148.6165.1-69.6-78.4000111.5K1055K1055-Y1057 HydrophobicContact CB-CE2 4.12Å; K1055-Y1057 PolarHBondContact O-N 3.38Å
1058S24.6Very low24.6Very low104 Ų104145.4 Ų145.473%0.72778%0.779SS**  trans-71.8133.5-166.6-174.70000113.7K1060S1058-K1060 VanDerWaalsContact C-N 3.27Å; S1058-K1060 PolarHBondContact O-N 3.15Å
1059K23.9Very low24.6Very low199 Ų199147.9 Ų147.987%0.86579%0.789SS**SBendtrans-66.871.3175.2-72-174.8173.1-177.50112.7
1060K23.4Very low24.7Very low190 Ų190152.3 Ų152.383%0.82680%0.799SS**  trans-142.528.3177.3-78.9-159.2174.5-176.20116.1S1058S1058-K1060 VanDerWaalsContact C-N 3.27Å; S1058-K1060 PolarHBondContact O-N 3.15Å
1061S24.5Very low24.6Very low116 Ų116151.9 Ų151.981%0.81180%0.803SS**SBendtrans-152.936.5169.7-161.20000116.3
1062L24.7Very low24.7Very low173 Ų173151.4 Ų151.491%0.90681%0.807SS**SBendtrans-159.779.5168.4-110.1162.1000109.2
1063L22.6Very low24.6Very low146 Ų146150.5 Ų150.576%0.76481%0.808SS**  trans-162.3109.9178.2-117137.3000110.4
1064M23.2Very low24.5Very low167 Ų167151.2 Ų151.282%0.82381%0.81SS**  trans-143.1142.4155.9-87.7-64.8164.700106.4A1066M1064-A1066 PolarHBondContact O-N 3.22Å
1065D23.9Very low24.4Very low136 Ų136146.9 Ų146.973%0.72780%0.798SS**  trans-68.3121.1-160.3-76.6-78.7000114.7K1067D1065-K1067 HydrophobicContact CB-CB 4.37Å; D1065-K1067 PolarHBondContact O-N 3.41Å
1066A23.2Very low24.2Very low109 Ų109148.3 Ų148.390%0.90181%0.811SS**SBendtrans-75.961.1159.800000109.9M1064M1064-A1066 PolarHBondContact O-N 3.22Å
1067K25.1Very low24.2Very low181 Ų181148.7 Ų148.779%0.78780%0.802SS**  trans-157.335.5-174.1-132.2176.9-171.1-178.30118.8D1065D1065-K1067 HydrophobicContact CB-CB 4.37Å; D1065-K1067 PolarHBondContact O-N 3.41Å
1068E26.7Very low24.2Very low191 Ų191144 Ų14489%0.89380%0.795SS**  trans-156.7142.6153.9-122.7165.9-166.300112.4
1069N24.4Very low24.2Very low154 Ų154147.9 Ų147.982%0.82480%0.801SS**  trans-86.9111.5-179.8-65.1-43.1000110.4
1070H24.4Very low24.3Very low182 Ų182149.2 Ų149.284%0.84380%0.801SS**  trans-163.9135.9151.7-83.5-45.2000111.7
1071P26.1Very low24.4Very low111 Ų111143.6 Ų143.672%0.72180%0.797SS**PPolyproline II helixtrans-71.8143.2168.630.5-33.7000110.8T1073P1071-T1073 PolarHBondContact O-N 3.47Å
1072P26.4Very low24.5Very low128 Ų128144.7 Ų144.783%0.83180%0.798SS**PPolyproline II helixtrans-70.3123.7-173.827.3-34.3000112.2
1073T23.4Very low24.6Very low131 Ų131146.8 Ų146.880%0.80479%0.794SS**PPolyproline II helixtrans-69126.5173.6-39.50000110.2P1071 A1075P1071-T1073 PolarHBondContact O-N 3.47Å; T1073-A1075 PolarHBondContact O-N 3.24Å
1074P25.7Very low24.7Very low112 Ų112150 Ų15073%0.72780%0.802SS**  trans-71.799.8-179.927.8-33.7000111.1
1075A22.7Very low24.9Very low81 Ų81151 Ų15167%0.66980%0.802SS**  trans-76.6133176.200000111.6T1073 I1077T1073-A1075 PolarHBondContact O-N 3.24Å; A1075-I1077 PolarHBondContact O-N 3.16Å
1076L22.2Very low25Very low160 Ų160152.9 Ų152.984%0.83881%0.81SS**  trans-82.385.6-172-142.8165.9000111.4V1078L1076-V1078 HydrophobicContact CD2-CG2 3.78Å; L1076-V1078 PolarHBondContact O-N 2.97Å
1077I23.5Very low25.2Very low147 Ų147154.1 Ų154.175%0.75480%0.801SS**  trans-84.395.6-176.7-58.7179.6000111.2A1075 Q1079A1075-I1077 PolarHBondContact O-N 3.16Å; I1077-Q1079 PolarHBondContact O-N 3.09Å; I1077-Q1079 VanDerWaalsContact O-N 3.15Å
1078V23.4Very low25.3Very low107 Ų107150.6 Ų150.665%0.64879%0.79SS**  trans-81.687.6173.5-175.40000110.4L1076 R1080L1076-V1078 HydrophobicContact CD2-CG2 3.78Å; L1076-V1078 PolarHBondContact O-N 2.97Å; V1078-R1080 VanDerWaalsContact C-N 3.33Å; V1078-R1080 HydrophobicContact CG1-CG 4.3Å; V1078-R1080 PolarHBondContact O-N 2.88Å
1079Q24.1Very low25.7Very low184 Ų184147.5 Ų147.586%0.8678%0.779SS**  trans-74.279.6177.8-169.4170-5.500112.1I1077 G1081I1077-Q1079 PolarHBondContact O-N 3.09Å; I1077-Q1079 VanDerWaalsContact O-N 3.15Å; Q1079-G1081 PolarHBondContact O-N 3.29Å
1080R26.4Very low26.2Very low227 Ų227149 Ų14986%0.85778%0.781SS**  trans-67.5121.2171.7-88.4-175.7171.8-176.8-2.1111.3V1078 V1082V1078-R1080 VanDerWaalsContact C-N 3.33Å; V1078-R1080 HydrophobicContact CG1-CG 4.3Å; V1078-R1080 PolarHBondContact O-N 2.88Å; R1080-V1082 PolarHBondContact O-N 3.29Å
1081G25.9Very low26.9Very low72 Ų72145 Ų14574%0.74277%0.774SS**  trans-65.211217500000113.3Q1079Q1079-G1081 PolarHBondContact O-N 3.29Å
1082V26.3Very low27.4Very low139 Ų139144 Ų14484%0.84276%0.762SS**  trans38.595.2148.5-165.50000117.9R1080R1080-V1082 PolarHBondContact O-N 3.29Å
1083R26.8Very low28.2Very low217 Ų217141.9 Ų141.982%0.81974%0.744SS**  -156.3128129.3-109.5167.5-165.8-167.75.3110.5K1085R1083-K1085 PolarHBondContact O-N 3.38Å
1084K25Very low28.9Very low213 Ų213141 Ų14193%0.92673%0.733SS**  trans-77.5113.5-176.4-72.7180177.3177.10111.6
1085K27.7Very low29.7Very low189 Ų189141.6 Ų141.682%0.82273%0.73SS**  trans-145.4120.2140.9-101.4-174.1178.9-179.10108.1R1083 L1087R1083-K1085 PolarHBondContact O-N 3.38Å; K1085-L1087 PolarHBondContact O-N 3.26Å
1086I25.9Very low30.5Very low175 Ų175145.2 Ų145.290%0.89773%0.726SS**  trans-80.298.5175-60.6172.5000106.8
1087L27.1Very low31.6Very low136 Ų136142 Ų14271%0.71271%0.709SS**  trans-100123.1165.3-85.4163.6000107.8K1085 L1089K1085-L1087 PolarHBondContact O-N 3.26Å; L1087-L1089 PolarHBondContact O-N 3.06Å
1088N28.2Very low32.6Very low107 Ų107139.3 Ų139.357%0.57270%0.695SS**  trans-77.890.8-175.4-170.85.2000110.1Q1090 S1091N1088-Q1090 PolarHBondContact O-N 3.31Å; N1088-S1091 PolarHBondContact O-N 3.36Å; N1088-S1091 PolarHBondContact O-OG 2.94Å
1089L33.6Very low33.8Very low126 Ų126138 Ų13866%0.6669%0.691SS**G310 helixtrans-63.6-9.6-172.8-75.7163.2000114.6L1087 S1091 L1092L1087-L1089 PolarHBondContact O-N 3.06Å; L1089-S1091 PolarHBondContact O-N 3.05Å; L1089-L1092 HydrophobicContact CD2-CB 4.12Å; L1089-L1092 HydrophobicContact CD2-CD1 4.28Å; L1089-L1092 HydrophobicContact CD2-CD2 3.82Å; L1089-L1092 HydrophobicContact CD2-CG 4.29Å; L1089-L1092 PolarHBondContact O-N 2.85Å
1090Q36.5Very low34.9Very low185 Ų185136.6 Ų136.686%0.86468%0.684SS**G310 helixtrans-67.2-9.6168-71.8-174-31.700113.9N1088N1088-Q1090 PolarHBondContact O-N 3.31Å
1091S38.7Very low35.6Very low98 Ų98130 Ų13069%0.68567%0.673SS**G310 helixtrans-110.916.9172.477.60000113.7N1088 L1089 D1093N1088-S1091 PolarHBondContact O-N 3.36Å; N1088-S1091 PolarHBondContact O-OG 2.94Å; L1089-S1091 PolarHBondContact O-N 3.05Å; S1091-D1093 PolarHBondContact O-N 3.39Å
1092L36.6Very low36.4Very low89 Ų89137.5 Ų137.547%0.46669%0.688SS.*  trans-87.8100.4177.8-142.982.7000110.4L1089 I1094 I1097L1089-L1092 HydrophobicContact CD2-CB 4.12Å; L1089-L1092 HydrophobicContact CD2-CD1 4.28Å; L1089-L1092 HydrophobicContact CD2-CD2 3.82Å; L1089-L1092 HydrophobicContact CD2-CG 4.29Å; L1089-L1092 PolarHBondContact O-N 2.85Å; L1092-I1094 PolarHBondContact O-N 2.79Å; L1092-I1097 HydrophobicContact CD1-CD1 4.48Å; L1092-I1097 HydrophobicContact CD2-CD1 3.67Å; L1092-I1097 HydrophobicContact CG-CD1 3.8Å
1093D42.9Very low36.9Very low84 Ų84137.5 Ų137.545%0.44968%0.681SS.*  trans-70.691.7175.9-175.2-12.1000109.9S1091 D1095 R1096 I1097S1091-D1093 PolarHBondContact O-N 3.39Å; D1093-D1095 VanDerWaalsContact C-N 3.34Å; D1093-R1096 HydrophobicContact CB-CB 3.92Å; D1093-R1096 PolarHBondContact O-N 2.84Å; D1093-R1096 WeakPolarHBondContact OD1-CB 3.46Å; D1093-R1096 PolarHBondContact OD1-N 2.85Å; D1093-R1096 VanDerWaalsContact OD2-CB 3.26Å; D1093-R1096 WeakPolarHBondContact OD2-CB 3.37Å; D1093-R1096 WeakPolarHBondContact OD2-CD 3.39Å; D1093-I1097 PolarHBondContact O-N 2.94Å; D1093-I1097 VanDerWaalsContact O-N 3.15Å
1094I38.9Very low37.5Very low112 Ų112133.3 Ų133.357%0.57467%0.673SS**Hα-helixtrans-64.4-39.4-175.5-67.2173000110.9L1092 R1096 I1097 I1098L1092-I1094 PolarHBondContact O-N 2.79Å; I1094-R1096 VanDerWaalsContact C-N 3.31Å; I1094-R1096 PolarHBondContact O-N 3.21Å; I1094-I1097 PolarHBondContact O-N 3.2Å; I1094-I1098 HydrophobicContact CG2-CD1 3.88Å; I1094-I1098 HydrophobicContact CG2-CG1 4.48Å; I1094-I1098 WeakPolarHBondContact O-CG1 3.21Å; I1094-I1098 PolarHBondContact O-N 3.4Å
1095D41.8Very low38.1Very low125 Ų125128.8 Ų128.867%0.66866%0.659SS**Hα-helixtrans-63.6-38.7178.5-68.9-33.9000111.1D1093 I1098 S1099D1093-D1095 VanDerWaalsContact C-N 3.34Å; D1095-I1098 PolarHBondContact O-N 2.97Å; D1095-S1099 WeakPolarHBondContact O-CB 3.14Å; D1095-S1099 PolarHBondContact O-N 3.37Å
1096R40.3Very low38.8Very low158 Ų158125.3 Ų125.360%0.59665%0.65SS**Hα-helixtrans-70.3-27.2174.8-172.9175-176.1-1802.2114.3D1093 I1094 S1099 Q1100D1093-R1096 HydrophobicContact CB-CB 3.92Å; D1093-R1096 PolarHBondContact O-N 2.84Å; D1093-R1096 WeakPolarHBondContact OD1-CB 3.46Å; D1093-R1096 PolarHBondContact OD1-N 2.85Å; D1093-R1096 VanDerWaalsContact OD2-CB 3.26Å; D1093-R1096 WeakPolarHBondContact OD2-CB 3.37Å; D1093-R1096 WeakPolarHBondContact OD2-CD 3.39Å; I1094-R1096 VanDerWaalsContact C-N 3.31Å; I1094-R1096 PolarHBondContact O-N 3.21Å; R1096-S1099 PolarHBondContact O-OG 3.5Å; R1096-Q1100 WeakPolarHBondContact O-CG 3.38Å
1097I44.2Very low39.6Very low92 Ų92122.2 Ų122.247%0.47263%0.634SS.*Hα-helixtrans-72.9-41.9171.4-68.9171.6000109.9L1092 D1093 I1094 S1099 Q1100L1092-I1097 HydrophobicContact CD1-CD1 4.48Å; L1092-I1097 HydrophobicContact CD2-CD1 3.67Å; L1092-I1097 HydrophobicContact CG-CD1 3.8Å; D1093-I1097 PolarHBondContact O-N 2.94Å; D1093-I1097 VanDerWaalsContact O-N 3.15Å; I1094-I1097 PolarHBondContact O-N 3.2Å; I1097-S1099 VanDerWaalsContact C-N 3.34Å; I1097-Q1100 PolarHBondContact O-N 3.14Å
1098I45.6Very low40.4Very low90 Ų90121.3 Ų121.346%0.46263%0.629SS.*Hα-helixtrans-64.2-41175.5-67.2169.6000110.4I1094 D1095 Q1100 S1101I1094-I1098 HydrophobicContact CG2-CD1 3.88Å; I1094-I1098 HydrophobicContact CG2-CG1 4.48Å; I1094-I1098 WeakPolarHBondContact O-CG1 3.21Å; I1094-I1098 PolarHBondContact O-N 3.4Å; D1095-I1098 PolarHBondContact O-N 2.97Å; I1098-Q1100 PolarHBondContact O-N 3.33Å; I1098-Q1100 VanDerWaalsContact O-N 3.08Å; I1098-S1101 PolarHBondContact O-N 3.02Å; I1098-S1101 PolarHBondContact O-OG 3.25Å
1099S47.6Very low41.3Very low81 Ų81122.3 Ų122.357%0.56663%0.633SS**THydrogen-bonded Turntrans-70.83.3176.987.80000115D1095 R1096 I1097D1095-S1099 WeakPolarHBondContact O-CB 3.14Å; D1095-S1099 PolarHBondContact O-N 3.37Å; R1096-S1099 PolarHBondContact O-OG 3.5Å; I1097-S1099 VanDerWaalsContact C-N 3.34Å
1100Q46.2Very low41.9Very low153 Ų153122 Ų12272%0.71563%0.631SS**THydrogen-bonded Turntrans-116.79.2170.6-69.2-173.8-2200112.1R1096 I1097 I1098R1096-Q1100 WeakPolarHBondContact O-CG 3.38Å; I1097-Q1100 PolarHBondContact O-N 3.14Å; I1098-Q1100 PolarHBondContact O-N 3.33Å; I1098-Q1100 VanDerWaalsContact O-N 3.08Å
1101S43Very low42.3Very low89 Ų89116.8 Ų116.862%0.62261%0.612SS**  trans-116.211.5177.665.70000113.7I1098I1098-S1101 PolarHBondContact O-N 3.02Å; I1098-S1101 PolarHBondContact O-OG 3.25Å
1102H42.1Very low42.6Very low230 Ų230118.5 Ų118.5100%1.06561%0.605SS**  trans-124.50170.4-91.9-62.1000109.1

Retrieved 1,102 of 1,102 residues in 921 ms (Link to these results)

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