A0A096N653_PAPAN Loading...

Solute carrier family 25 member 45

AlphaFold DB , UniProt , Accession A0A096N653, Species PAPAN (Papio anubis, Olive baboon), Gene SLC25A45, Length 288 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
1M48.5Very low67.4Low170 Ų17083.5 Ų83.584%0.83744%0.436SS*.  0-77.20-54.5-152.6-8500113.2V3 E4 E5M1-V3 PolarHBondContact O-N 3.37Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-E5 PolarHBondContact O-N 2.84Å
2P62.2Low67.3Low102 Ų10277.2 Ų77.266%0.66240%0.403SS*.Hα-helixtrans-70.7-28.4-174.726.6-33.7000114.4F6P2-F6 VanDerWaalsContact O-CB 3.26Å; P2-F6 WeakPolarHBondContact O-CB 3.42Å; P2-F6 PolarHBondContact O-N 3.26Å; P2-F6 VanDerWaalsContact O-N 3.15Å
3V69.4Low67.3Low102 Ų10272.5 Ų72.562%0.61839%0.385SS*.Hα-helixtrans-77.1-39.4-179.8-177.20000111.7M1 F6 V7M1-V3 PolarHBondContact O-N 3.37Å; V3-F6 WeakPolarHBondContact O-CB 3.28Å; V3-F6 PolarHBondContact O-N 3.16Å; V3-V7 HydrophobicContact CG1-CG2 4.26Å; V3-V7 WeakPolarHBondContact O-CB 3.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.3Å; V3-V7 PolarHBondContact O-N 3.43Å
4E70.3Confident67.5Low91 Ų9168.4 Ų68.443%0.42537%0.366SS..Hα-helixtrans-67-42.4177.9-69.9148.3160.600111.3M1 F6 V7 A8 W287M1-E4 PolarHBondContact N-OE2 2.92Å; E4-F6 VanDerWaalsContact C-N 3.31Å; E4-F6 PolarHBondContact O-N 3.03Å; E4-V7 PolarHBondContact O-N 3.28Å; E4-A8 VanDerWaalsContact O-CB 3.22Å; E4-A8 WeakPolarHBondContact O-CB 3.42Å; E4-A8 PolarHBondContact O-N 3.33Å; E4-W287 HydrophobicContact CB-CE3 4.4Å
5E66.9Low67.7Low107 Ų10768.5 Ų68.550%0.537%0.367SS..Hα-helixtrans-62.5-39.2173.3-71.2177-168.100111.8M1 G9M1-E5 PolarHBondContact O-N 2.84Å; E5-G9 PolarHBondContact O-N 2.93Å
6F67.6Low67.5Low113 Ų11364.4 Ų64.450%0.49635%0.345SS..Hα-helixtrans-65.4-44.7175.5-178.3-95.1000112.2P2 V3 E4 G9 W10P2-F6 VanDerWaalsContact O-CB 3.26Å; P2-F6 WeakPolarHBondContact O-CB 3.42Å; P2-F6 PolarHBondContact O-N 3.26Å; P2-F6 VanDerWaalsContact O-N 3.15Å; V3-F6 WeakPolarHBondContact O-CB 3.28Å; V3-F6 PolarHBondContact O-N 3.16Å; E4-F6 VanDerWaalsContact C-N 3.31Å; E4-F6 PolarHBondContact O-N 3.03Å; F6-G9 PolarHBondContact O-N 3.4Å; F6-W10 WeakPolarHBondContact O-CB 3.4Å; F6-W10 PolarHBondContact O-N 3.4Å
7V74Confident67.5Low50 Ų5062.6 Ų62.630%0.30334%0.335SS..Hα-helixtrans-68.2-41.5178.1175.90000110.6V3 E4 G9 W10 I11 W287V3-V7 HydrophobicContact CG1-CG2 4.26Å; V3-V7 WeakPolarHBondContact O-CB 3.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.3Å; V3-V7 PolarHBondContact O-N 3.43Å; E4-V7 PolarHBondContact O-N 3.28Å; V7-G9 VanDerWaalsContact C-N 3.34Å; V7-G9 PolarHBondContact O-N 3.4Å; V7-W10 PolarHBondContact O-N 3.29Å; V7-I11 HydrophobicContact CG1-CD1 3.74Å; V7-I11 HydrophobicContact CG1-CG1 4.34Å; V7-I11 VanDerWaalsContact O-CG1 3.32Å; V7-I11 WeakPolarHBondContact O-CG1 3.36Å; V7-I11 PolarHBondContact O-N 3.47Å; V7-W287 HydrophobicContact CB-CH2 4.27Å; V7-W287 HydrophobicContact CB-CZ3 4.38Å; V7-W287 HydrophobicContact CG1-CH2 3.6Å; V7-W287 HydrophobicContact CG1-CZ3 4.13Å
8A70Confident67.7Low0 Ų061.6 Ų61.60%033%0.332CS..Hα-helixtrans-62-41.6174.500000111.6E4 S12 Y280 L283 W287E4-A8 VanDerWaalsContact O-CB 3.22Å; E4-A8 WeakPolarHBondContact O-CB 3.42Å; E4-A8 PolarHBondContact O-N 3.33Å; A8-S12 VanDerWaalsContact O-CB 3.27Å; A8-S12 WeakPolarHBondContact O-CB 3.36Å; A8-S12 PolarHBondContact O-N 3.48Å; A8-S12 PolarHBondContact O-OG 3.44Å; A8-Y280 HydrophobicContact CB-CD2 4.24Å; A8-Y280 HydrophobicContact CB-CE2 4.29Å; A8-L283 HydrophobicContact CB-CB 4.05Å; A8-L283 HydrophobicContact CB-CD1 4.4Å; A8-W287 HydrophobicContact CB-CE3 4.41Å; A8-W287 HydrophobicContact CB-CZ3 4.01Å
9G66.1Low67.7Low28 Ų2862.5 Ų62.529%0.28934%0.336SS..Hα-helixtrans-62.9-38.8173.200000112.9E5 F6 V7 S12 G13E5-G9 PolarHBondContact O-N 2.93Å; F6-G9 PolarHBondContact O-N 3.4Å; V7-G9 VanDerWaalsContact C-N 3.34Å; V7-G9 PolarHBondContact O-N 3.4Å; G9-S12 WeakPolarHBondContact CA-OG 3.46Å; G9-S12 PolarHBondContact O-OG 3.36Å; G9-S12 VanDerWaalsContact O-OG 3.05Å; G9-G13 PolarHBondContact O-N 2.97Å
10W72.4Confident67.6Low104 Ų10459.4 Ų59.439%0.39432%0.319SS..Hα-helixtrans-68.9-46.7177.3-175.466.1000112.6F6 V7 G13 A14 I66F6-W10 WeakPolarHBondContact O-CB 3.4Å; F6-W10 PolarHBondContact O-N 3.4Å; V7-W10 PolarHBondContact O-N 3.29Å; W10-G13 PolarHBondContact O-N 2.94Å; W10-A14 WeakPolarHBondContact O-CB 3.42Å; W10-A14 PolarHBondContact O-N 3.2Å; W10-I66 VanDerWaalsContact CD1-CG2 3.47Å
11I73.4Confident67.7Low52 Ų5256.6 Ų56.627%0.26730%0.304SS..Hα-helixtrans-65.9-44.6179.8-65169000110.8V7 G13 A14 L15 L283 W287V7-I11 HydrophobicContact CG1-CD1 3.74Å; V7-I11 HydrophobicContact CG1-CG1 4.34Å; V7-I11 VanDerWaalsContact O-CG1 3.32Å; V7-I11 WeakPolarHBondContact O-CG1 3.36Å; V7-I11 PolarHBondContact O-N 3.47Å; I11-G13 VanDerWaalsContact C-N 3.35Å; I11-G13 PolarHBondContact O-N 2.91Å; I11-A14 PolarHBondContact O-N 3.42Å; I11-L15 HydrophobicContact CG2-CD1 3.98Å; I11-L15 WeakPolarHBondContact O-CG 3.37Å; I11-L15 PolarHBondContact O-N 3Å; I11-L283 HydrophobicContact CB-CD1 3.81Å; I11-L283 HydrophobicContact CD1-CD1 4.44Å; I11-L283 HydrophobicContact CG2-CD1 3.68Å; I11-W287 HydrophobicContact CD1-CH2 4.13Å
12S67.3Low68.6Low7 Ų750 Ų505%0.04927%0.274CS..Hα-helixtrans-62.4-41.7176.1570000111.9A8 G9 L15 G16A8-S12 VanDerWaalsContact O-CB 3.27Å; A8-S12 WeakPolarHBondContact O-CB 3.36Å; A8-S12 PolarHBondContact O-N 3.48Å; A8-S12 PolarHBondContact O-OG 3.44Å; G9-S12 WeakPolarHBondContact CA-OG 3.46Å; G9-S12 PolarHBondContact O-OG 3.36Å; G9-S12 VanDerWaalsContact O-OG 3.05Å; S12-L15 PolarHBondContact O-N 3.42Å; S12-G16 PolarHBondContact O-N 3.43Å
13G66.8Low68.9Low16 Ų1649.1 Ų49.117%0.16526%0.26CS..Hα-helixtrans-62.2-42.1173.400000113.1G9 W10 I11 L17G9-G13 PolarHBondContact O-N 2.97Å; W10-G13 PolarHBondContact O-N 2.94Å; I11-G13 VanDerWaalsContact C-N 3.35Å; I11-G13 PolarHBondContact O-N 2.91Å; G13-L17 WeakPolarHBondContact O-CB 3.42Å; G13-L17 PolarHBondContact O-N 2.92Å
14A69.8Low68.9Low15 Ų1545.5 Ų45.512%0.12424%0.237CC..Hα-helixtrans-64.2-44.5176.200000111.8W10 I11 L17 V18 I63W10-A14 WeakPolarHBondContact O-CB 3.42Å; W10-A14 PolarHBondContact O-N 3.2Å; I11-A14 PolarHBondContact O-N 3.42Å; A14-L17 WeakPolarHBondContact O-CB 3.16Å; A14-L17 PolarHBondContact O-N 2.95Å; A14-V18 WeakPolarHBondContact O-CG2 3.34Å; A14-V18 PolarHBondContact O-N 2.87Å; A14-I63 HydrophobicContact CB-CG2 4.25Å
15L70.2Confident68.7Low71 Ų7141.6 Ų41.637%0.37222%0.22SC..Hα-helixtrans-64.1-43.7177.1-74.5168.5000112.4I11 S12 L17 V18 L19 S279I11-L15 HydrophobicContact CG2-CD1 3.98Å; I11-L15 WeakPolarHBondContact O-CG 3.37Å; I11-L15 PolarHBondContact O-N 3Å; S12-L15 PolarHBondContact O-N 3.42Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.01Å; L15-V18 PolarHBondContact O-N 3.14Å; L15-L19 PolarHBondContact O-N 2.71Å; L15-L19 VanDerWaalsContact O-N 3.11Å; L15-S279 WeakPolarHBondContact CD1-OG 3.44Å
16G65.6Low68.7Low2 Ų237 Ų372%0.02120%0.198CC..Hα-helixtrans-59.8-39.3173.900000111.9S12 G20S12-G16 PolarHBondContact O-N 3.43Å; G16-G20 PolarHBondContact O-N 3.34Å
17L67.6Low68.6Low34 Ų3432.6 Ų32.618%0.17818%0.179CC..Hα-helixtrans-67.8-42.9176.1-158.1101.9000112.2G13 A14 L15 L19 G20 H21 M59 P62 I63 I66G13-L17 WeakPolarHBondContact O-CB 3.42Å; G13-L17 PolarHBondContact O-N 2.92Å; A14-L17 WeakPolarHBondContact O-CB 3.16Å; A14-L17 PolarHBondContact O-N 2.95Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.01Å; L17-L19 VanDerWaalsContact C-N 3.26Å; L17-L19 PolarHBondContact O-N 3.28Å; L17-G20 PolarHBondContact O-N 3.16Å; L17-H21 VanDerWaalsContact O-CB 3.29Å; L17-H21 WeakPolarHBondContact O-CB 3.37Å; L17-H21 PolarHBondContact O-N 3.48Å; L17-M59 HydrophobicContact CD2-CG 4.48Å; L17-P62 HydrophobicContact CD2-CB 3.27Å; L17-P62 HydrophobicContact CD2-CG 4.35Å; L17-P62 HydrophobicContact CG-CB 4.48Å; L17-I63 HydrophobicContact CD2-CG1 3.86Å; L17-I66 HydrophobicContact CD1-CD1 4.47Å
18V70.8Confident68.2Low45 Ų4532.4 Ų32.427%0.27318%0.178SC..Hα-helixtrans-55.9-42.7177168.60000111A14 L15 P22 F56 M59 I63A14-V18 WeakPolarHBondContact O-CG2 3.34Å; A14-V18 PolarHBondContact O-N 2.87Å; L15-V18 PolarHBondContact O-N 3.14Å; V18-P22 WeakPolarHBondContact O-CD 3.37Å; V18-F56 HydrophobicContact CG1-CE1 3.85Å; V18-M59 HydrophobicContact CB-CE 4.43Å; V18-M59 HydrophobicContact CB-SD 4.22Å; V18-M59 HydrophobicContact CG2-CE 4.48Å; V18-M59 HydrophobicContact CG2-SD 3.68Å; V18-I63 HydrophobicContact CG2-CD1 3.79Å
19L68.1Low68Low79 Ų7933.1 Ų33.141%0.41418%0.181SC..Hα-helixtrans-79.7-30.8179.2-70.2172.8000114L15 L17 P22 V275L15-L19 PolarHBondContact O-N 2.71Å; L15-L19 VanDerWaalsContact O-N 3.11Å; L17-L19 VanDerWaalsContact C-N 3.26Å; L17-L19 PolarHBondContact O-N 3.28Å; L19-P22 WeakPolarHBondContact O-CD 3.24Å; L19-V275 HydrophobicContact CD1-CB 3.45Å; L19-V275 VanDerWaalsContact CD1-CB 3.45Å; L19-V275 HydrophobicContact CD1-CG1 3.4Å; L19-V275 VanDerWaalsContact CD1-CG1 3.4Å; L19-V275 HydrophobicContact CD1-CG2 3.42Å; L19-V275 VanDerWaalsContact CD1-CG2 3.42Å
20G65.5Low67.8Low0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-77.9-23178.400000113.7G16 L17 F23 D24 V272G16-G20 PolarHBondContact O-N 3.34Å; L17-G20 PolarHBondContact O-N 3.16Å; G20-F23 WeakPolarHBondContact O-CB 3.3Å; G20-F23 PolarHBondContact O-N 2.82Å; G20-D24 PolarHBondContact O-N 3.36Å; G20-V272 VanDerWaalsContact CA-CG2 3.47Å
21H70.1Confident66.8Low0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-67.6-37.4-172.5-160.6-74.4000115.1L17 F23 D24 T25 F55 M59 Q128L17-H21 VanDerWaalsContact O-CB 3.29Å; L17-H21 WeakPolarHBondContact O-CB 3.37Å; L17-H21 PolarHBondContact O-N 3.48Å; H21-F23 PolarHBondContact O-N 3.06Å; H21-D24 WeakPolarHBondContact O-CB 3.35Å; H21-D24 PolarHBondContact O-N 2.88Å; H21-D24 VanDerWaalsContact O-N 3.07Å; H21-T25 PolarHBondContact ND1-OG1 2.86Å; H21-T25 PolarHBondContact O-N 3.04Å; H21-T25 PolarHBondContact O-OG1 3.18Å; H21-T25 VanDerWaalsContact O-OG1 3.07Å; H21-F55 PolarHBondContact ND1-O 3.47Å; H21-M59 HydrophobicContact CB-CE 3.04Å; H21-Q128 PolarHBondContact CE1-NE2 3.2Å; H21-Q128 PolarHBondContact NE2-NE2 3.4Å
22P66Low65.7Low32 Ų3231.1 Ų31.121%0.20817%0.17CC..Hα-helixtrans-56-39.6172.4-25.734.5000112V18 L19 T25 V26 F55 F56V18-P22 WeakPolarHBondContact O-CD 3.37Å; L19-P22 WeakPolarHBondContact O-CD 3.24Å; P22-T25 PolarHBondContact O-N 3.27Å; P22-V26 VanDerWaalsContact O-CG2 3.24Å; P22-V26 WeakPolarHBondContact O-CG2 3.16Å; P22-V26 PolarHBondContact O-N 3.18Å; P22-F55 HydrophobicContact CB-CB 4.29Å; P22-F55 HydrophobicContact CB-CD1 4Å; P22-F55 HydrophobicContact CB-CG 4.44Å; P22-F55 HydrophobicContact CG-CB 4.38Å; P22-F56 HydrophobicContact CG-CZ 4.36Å
23F69.9Low65Low83 Ų8332.8 Ų32.836%0.36418%0.177SC..Hα-helixtrans-69.1-38.7175.2-65.6-81.8000112.2G20 H21 V26 K27 R268G20-F23 WeakPolarHBondContact O-CB 3.3Å; G20-F23 PolarHBondContact O-N 2.82Å; H21-F23 PolarHBondContact O-N 3.06Å; F23-V26 PolarHBondContact O-N 3.35Å; F23-K27 VanDerWaalsContact O-CB 3.23Å; F23-K27 WeakPolarHBondContact O-CB 3.05Å; F23-K27 PolarHBondContact O-N 3.23Å; F23-R268 HydrophobicContact CB-CB 4.25Å; F23-R268 HydrophobicContact CB-CG 3.96Å; F23-R268 HydrophobicContact CD2-CG 4.42Å; F23-R268 HydrophobicContact CG-CB 4.34Å; F23-R268 HydrophobicContact CG-CG 4.27Å
24D68Low64.4Low27 Ų2737.7 Ų37.714%0.14420%0.204CC..Hα-helixtrans-61.7-45.5172.9-79.2-28.2000111.9G20 H21 V26 K27 V28 R268G20-D24 PolarHBondContact O-N 3.36Å; H21-D24 WeakPolarHBondContact O-CB 3.35Å; H21-D24 PolarHBondContact O-N 2.88Å; H21-D24 VanDerWaalsContact O-N 3.07Å; D24-V26 PolarHBondContact O-N 3.48Å; D24-K27 PolarHBondContact O-N 3.28Å; D24-V28 WeakPolarHBondContact O-CB 3.42Å; D24-V28 VanDerWaalsContact O-CG2 3.29Å; D24-V28 WeakPolarHBondContact O-CG2 3.4Å; D24-V28 PolarHBondContact O-N 3.01Å; D24-R268 VanDerWaalsContact CG-CZ 3.48Å; D24-R268 VanDerWaalsContact CG-NH2 3.28Å; D24-R268 IonicContact OD1-CZ 2.71Å; D24-R268 IonicContact OD1-NE 3.36Å; D24-R268 IonicContact OD1-NH1 2.91Å; D24-R268 PolarHBondContact OD1-NH1 3.45Å; D24-R268 IonicContact OD1-NH2 2.72Å; D24-R268 PolarHBondContact OD1-NH2 2.89Å; D24-R268 IonicContact OD2-CZ 3.14Å; D24-R268 IonicContact OD2-NH1 3.51Å; D24-R268 IonicContact OD2-NH2 3.56Å; D24-R268 PolarHBondContact OD2-NH2 2.83Å
25T66.9Low63.9Low9 Ų941.5 Ų41.56%0.05523%0.226CC..Hα-helixtrans-62.2-44.4178.7-58.70000111H21 P22 R29 F55H21-T25 PolarHBondContact ND1-OG1 2.86Å; H21-T25 PolarHBondContact O-N 3.04Å; H21-T25 PolarHBondContact O-OG1 3.18Å; H21-T25 VanDerWaalsContact O-OG1 3.07Å; P22-T25 PolarHBondContact O-N 3.27Å; T25-R29 WeakPolarHBondContact O-CB 3.41Å; T25-R29 VanDerWaalsContact O-CG 3.3Å; T25-R29 WeakPolarHBondContact O-CG 3.37Å; T25-R29 PolarHBondContact O-N 3.44Å; T25-F55 PolarHBondContact OG1-O 3.01Å
26V67.4Low63.5Low9 Ų939.7 Ų39.76%0.05522%0.215CC..Hα-helixtrans-66.4-42.7176.5174.90000111P22 F23 D24 R29 L30 I39 C42 M43 I46 F55P22-V26 VanDerWaalsContact O-CG2 3.24Å; P22-V26 WeakPolarHBondContact O-CG2 3.16Å; P22-V26 PolarHBondContact O-N 3.18Å; F23-V26 PolarHBondContact O-N 3.35Å; D24-V26 PolarHBondContact O-N 3.48Å; V26-R29 PolarHBondContact O-N 3.48Å; V26-L30 WeakPolarHBondContact O-CB 3.24Å; V26-L30 PolarHBondContact O-N 2.86Å; V26-I39 HydrophobicContact CG1-CG2 3.81Å; V26-C42 HydrophobicContact CG1-CB 4.26Å; V26-M43 HydrophobicContact CG1-CG 4.38Å; V26-M43 HydrophobicContact CG2-CG 3.69Å; V26-I46 HydrophobicContact CG2-CD1 3.96Å; V26-F55 HydrophobicContact CG2-CE1 4.08Å
27K65.8Low63.2Low22 Ų2251.3 Ų51.310%0.09626%0.258CS..Hα-helixtrans-60.2-50.2177.3179.2-178.8172.2-173.30110.9F23 D24 L30 Q31 D223 N265F23-K27 VanDerWaalsContact O-CB 3.23Å; F23-K27 WeakPolarHBondContact O-CB 3.05Å; F23-K27 PolarHBondContact O-N 3.23Å; D24-K27 PolarHBondContact O-N 3.28Å; K27-L30 PolarHBondContact O-N 3.47Å; K27-Q31 VanDerWaalsContact O-CB 3.27Å; K27-Q31 WeakPolarHBondContact O-CB 3.38Å; K27-Q31 WeakPolarHBondContact O-CG 3.45Å; K27-Q31 PolarHBondContact O-N 3.46Å; K27-D223 IonicContact NZ-OD2 2.84Å; K27-D223 PolarHBondContact NZ-OD2 3.44Å; K27-N265 PolarHBondContact NZ-OD1 2.98Å
28V63.7Low63.3Low46 Ų4650.9 Ų50.928%0.27926%0.262SS..Hα-helixtrans-60.8-51.8178.6173.20000109.5D24 L30 Q31 T32D24-V28 WeakPolarHBondContact O-CB 3.42Å; D24-V28 VanDerWaalsContact O-CG2 3.29Å; D24-V28 WeakPolarHBondContact O-CG2 3.4Å; D24-V28 PolarHBondContact O-N 3.01Å; V28-L30 PolarHBondContact O-N 2.96Å; V28-Q31 CarbonylContact O-C 3.53Å; V28-Q31 PolarHBondContact O-N 3.16Å; V28-T32 HydrophobicContact CG1-CG2 3.91Å; V28-T32 WeakPolarHBondContact O-CB 2.97Å; V28-T32 WeakPolarHBondContact O-CG2 3.33Å; V28-T32 PolarHBondContact O-N 2.95Å; V28-T32 PolarHBondContact O-OG1 3.3Å
29R65.8Low63.1Low15 Ų1552.1 Ų52.16%0.05727%0.266CS..Hα-helixtrans-62.4-38-178.7-72.9-179.7-176.1-146.36.4114T25 V26 Q31 T32 Q33 Y36 E50T25-R29 WeakPolarHBondContact O-CB 3.41Å; T25-R29 VanDerWaalsContact O-CG 3.3Å; T25-R29 WeakPolarHBondContact O-CG 3.37Å; T25-R29 PolarHBondContact O-N 3.44Å; V26-R29 PolarHBondContact O-N 3.48Å; R29-Q31 VanDerWaalsContact C-N 3.32Å; R29-T32 WeakPolarHBondContact CA-OG1 3.42Å; R29-T32 PolarHBondContact O-N 2.84Å; R29-Q33 WeakPolarHBondContact O-CB 3.41Å; R29-Q33 PolarHBondContact O-N 3.48Å; R29-Y36 HydrophobicContact CB-CE2 4.03Å; R29-E50 IonicContact CZ-OE1 3.06Å; R29-E50 IonicContact CZ-OE2 3.55Å; R29-E50 IonicContact NH1-OE1 3.29Å; R29-E50 PolarHBondContact NH1-OE1 3.38Å; R29-E50 IonicContact NH1-OE2 3.81Å; R29-E50 VanDerWaalsContact NH2-CD 3.31Å; R29-E50 IonicContact NH2-OE1 2.69Å; R29-E50 PolarHBondContact NH2-OE1 2.83Å; R29-E50 VanDerWaalsContact NH2-OE1 3.14Å; R29-E50 IonicContact NH2-OE2 2.58Å; R29-E50 PolarHBondContact NH2-OE2 3.37Å
30L63.5Low63.3Low52 Ų5253.1 Ų53.127%0.27228%0.275SS..Hα-helixtrans-69.4-32.6175.7-167.972.2000111.7V26 K27 V28 I39V26-L30 WeakPolarHBondContact O-CB 3.24Å; V26-L30 PolarHBondContact O-N 2.86Å; K27-L30 PolarHBondContact O-N 3.47Å; V28-L30 PolarHBondContact O-N 2.96Å; L30-I39 HydrophobicContact CD2-CG1 3.86Å
31Q51.1Low63.6Low66 Ų6655.4 Ų55.431%0.30829%0.287SS..Hα-helixtrans-80.8-25.1176.6-71.7179-6.500113.1K27 V28 R29 S227K27-Q31 VanDerWaalsContact O-CB 3.27Å; K27-Q31 WeakPolarHBondContact O-CB 3.38Å; K27-Q31 WeakPolarHBondContact O-CG 3.45Å; K27-Q31 PolarHBondContact O-N 3.46Å; V28-Q31 CarbonylContact O-C 3.53Å; V28-Q31 PolarHBondContact O-N 3.16Å; R29-Q31 VanDerWaalsContact C-N 3.32Å; Q31-S227 PolarHBondContact OE1-OG 3.33Å
32T49.2Very low63.5Low23 Ų2355.4 Ų55.414%0.14129%0.287CS..Hα-helixtrans-99.6-31.2-176.159.90000113.6V28 R29 M231V28-T32 HydrophobicContact CG1-CG2 3.91Å; V28-T32 WeakPolarHBondContact O-CB 2.97Å; V28-T32 WeakPolarHBondContact O-CG2 3.33Å; V28-T32 PolarHBondContact O-N 2.95Å; V28-T32 PolarHBondContact O-OG1 3.3Å; R29-T32 WeakPolarHBondContact CA-OG1 3.42Å; R29-T32 PolarHBondContact O-N 2.84Å; T32-M231 VanDerWaalsContact CA-SD 3.57Å; T32-M231 WeakPolarHBondContact CB-SD 3.38Å; T32-M231 HydrophobicContact CG2-CG 3.78Å; T32-M231 HydrophobicContact CG2-SD 3.33Å; T32-M231 WeakPolarHBondContact CG2-SD 3.16Å; T32-M231 WeakPolarHBondContact O-CE 3.33Å
33Q54Low63.7Low42 Ų4257.2 Ų57.220%0.19629%0.294CS..  trans-115.3124-174.6-58.5-176.3-0.200111.4R29 T35 Y36 T131R29-Q33 WeakPolarHBondContact O-CB 3.41Å; R29-Q33 PolarHBondContact O-N 3.48Å; Q33-T35 PolarHBondContact O-N 3.26Å; Q33-Y36 HydrophobicContact CB-CD2 3.89Å; Q33-Y36 HydrophobicContact CB-CE2 3.68Å; Q33-Y36 HydrophobicContact CG-CE2 4.27Å; Q33-Y36 PolarHBondContact OE1-OH 3.16Å; Q33-T131 PolarHBondContact NE2-OG1 3.46Å; Q33-T131 VanDerWaalsContact NE2-OG1 3.16Å
34T54.3Low63.9Low119 Ų11956.8 Ų56.873%0.7330%0.298SS*.THydrogen-bonded Turntrans-74.2-1.5176.255.20000113.5Y36T34-Y36 VanDerWaalsContact C-N 3.31Å; T34-Y36 PolarHBondContact O-N 2.72Å
35T58.3Low64.2Low96 Ų9658.7 Ų58.759%0.58931%0.305SS*.THydrogen-bonded Turntrans-80.2-11.4-173.6-46.40000113.2Q33 K45Q33-T35 PolarHBondContact O-N 3.26Å; T35-K45 PolarHBondContact O-NZ 2.78Å; T35-K45 VanDerWaalsContact O-NZ 3.16Å
36Y61.2Low64.3Low33 Ų3358.3 Ų58.313%0.12930%0.303CS..  trans-102.2127.3-178.2-57.4-67.3000110.8R29 Q33 T34 G38 C42 K45R29-Y36 HydrophobicContact CB-CE2 4.03Å; Q33-Y36 HydrophobicContact CB-CD2 3.89Å; Q33-Y36 HydrophobicContact CB-CE2 3.68Å; Q33-Y36 HydrophobicContact CG-CE2 4.27Å; Q33-Y36 PolarHBondContact OE1-OH 3.16Å; T34-Y36 VanDerWaalsContact C-N 3.31Å; T34-Y36 PolarHBondContact O-N 2.72Å; Y36-G38 VanDerWaalsContact C-N 3.31Å; Y36-C42 VanDerWaalsContact CD1-CA 3.47Å; Y36-C42 HydrophobicContact CD1-CB 3.79Å; Y36-C42 HydrophobicContact CD2-CB 4.42Å; Y36-C42 HydrophobicContact CE1-CB 4.39Å; Y36-C42 HydrophobicContact CG-CB 3.82Å; Y36-K45 HydrophobicContact CD1-CB 4.48Å; Y36-K45 HydrophobicContact CD1-CD 3.77Å; Y36-K45 HydrophobicContact CE1-CB 3.88Å; Y36-K45 HydrophobicContact CE1-CD 3.69Å; Y36-K45 HydrophobicContact CE1-CG 4.45Å
37R60.3Low64.6Low246 Ų24664.6 Ų64.693%0.92833%0.326SS*.SBendtrans-80.6-12.1178.4-75.1-178.3170.4176.7-3113.4D41R37-D41 PolarHBondContact N-OD2 2.85Å
38G68.5Low64.8Low25 Ų2573.7 Ų73.726%0.25836%0.36SS..SBendtrans175.3178.9179.100000113Y36 V40 D41 C42Y36-G38 VanDerWaalsContact C-N 3.31Å; G38-V40 VanDerWaalsContact C-N 3.35Å; G38-V40 PolarHBondContact O-N 3.18Å; G38-D41 PolarHBondContact O-N 3.15Å; G38-C42 WeakPolarHBondContact O-CB 3.23Å; G38-C42 PolarHBondContact O-N 3.43Å
39I67.1Low65.1Low71 Ų7178.7 Ų78.736%0.36438%0.38SS..Hα-helixtrans-58.8-45.5-177.1-54.9173.5000110.8V26 L30 C42 M43 I264V26-I39 HydrophobicContact CG1-CG2 3.81Å; L30-I39 HydrophobicContact CD2-CG1 3.86Å; I39-C42 WeakPolarHBondContact O-CB 2.92Å; I39-C42 PolarHBondContact O-N 3.21Å; I39-M43 HydrophobicContact CG2-CE 3.97Å; I39-M43 HydrophobicContact CG2-SD 4.45Å; I39-M43 WeakPolarHBondContact O-CG 3.27Å; I39-M43 PolarHBondContact O-N 3.23Å; I39-I264 HydrophobicContact CD1-CD1 3.79Å; I39-I264 HydrophobicContact CD1-CG1 3.93Å; I39-I264 HydrophobicContact CG1-CD1 4.41Å
40V72.6Confident65Low100 Ų10079.7 Ų79.761%0.60639%0.385SS*.Hα-helixtrans-68.8-42-178.5-176.80000111.9G38 C42 M43 V44G38-V40 VanDerWaalsContact C-N 3.35Å; G38-V40 PolarHBondContact O-N 3.18Å; V40-C42 VanDerWaalsContact C-N 3.29Å; V40-C42 PolarHBondContact O-N 3.36Å; V40-M43 HydrophobicContact CB-CE 4.46Å; V40-M43 HydrophobicContact CG2-CE 4.14Å; V40-M43 PolarHBondContact O-N 2.92Å; V40-V44 HydrophobicContact CG1-CG2 4.34Å; V40-V44 WeakPolarHBondContact O-CB 3.23Å; V40-V44 VanDerWaalsContact O-CG2 3.28Å; V40-V44 WeakPolarHBondContact O-CG2 3.21Å; V40-V44 PolarHBondContact O-N 2.76Å
41D72Confident65.2Low48 Ų4880.7 Ų80.726%0.25740%0.396SS..Hα-helixtrans-63-38175.4-179.245.7000111.4R37 G38 K45R37-D41 PolarHBondContact N-OD2 2.85Å; G38-D41 PolarHBondContact O-N 3.15Å; D41-K45 WeakPolarHBondContact O-CB 3.33Å; D41-K45 WeakPolarHBondContact O-CG 3.35Å; D41-K45 PolarHBondContact O-N 2.95Å; D41-K45 VanDerWaalsContact OD1-CE 3.3Å; D41-K45 WeakPolarHBondContact OD1-CE 3.48Å; D41-K45 IonicContact OD1-NZ 3.26Å; D41-K45 PolarHBondContact OD1-NZ 2.84Å; D41-K45 IonicContact OD2-NZ 2.84Å; D41-K45 PolarHBondContact OD2-NZ 3.05Å
42C68.2Low65.7Low0 Ų082.5 Ų82.50%041%0.408CS..Hα-helixtrans-63.6-50.1173-165.80000111.6V26 Y36 G38 I39 V40 V44 K45 I46V26-C42 HydrophobicContact CG1-CB 4.26Å; Y36-C42 VanDerWaalsContact CD1-CA 3.47Å; Y36-C42 HydrophobicContact CD1-CB 3.79Å; Y36-C42 HydrophobicContact CD2-CB 4.42Å; Y36-C42 HydrophobicContact CE1-CB 4.39Å; Y36-C42 HydrophobicContact CG-CB 3.82Å; G38-C42 WeakPolarHBondContact O-CB 3.23Å; G38-C42 PolarHBondContact O-N 3.43Å; I39-C42 WeakPolarHBondContact O-CB 2.92Å; I39-C42 PolarHBondContact O-N 3.21Å; V40-C42 VanDerWaalsContact C-N 3.29Å; V40-C42 PolarHBondContact O-N 3.36Å; C42-V44 PolarHBondContact O-N 3.08Å; C42-K45 PolarHBondContact O-N 2.91Å; C42-I46 WeakPolarHBondContact O-CD1 3.28Å; C42-I46 WeakPolarHBondContact O-CG1 3.31Å; C42-I46 PolarHBondContact O-N 2.81Å
43M69.7Low66.4Low70 Ų7088.1 Ų88.135%0.34544%0.436SS..Hα-helixtrans-59-44.7178.4-72.9-173.6-62.600112.4V26 I39 V40 I46 Y47V26-M43 HydrophobicContact CG1-CG 4.38Å; V26-M43 HydrophobicContact CG2-CG 3.69Å; I39-M43 HydrophobicContact CG2-CE 3.97Å; I39-M43 HydrophobicContact CG2-SD 4.45Å; I39-M43 WeakPolarHBondContact O-CG 3.27Å; I39-M43 PolarHBondContact O-N 3.23Å; V40-M43 HydrophobicContact CB-CE 4.46Å; V40-M43 HydrophobicContact CG2-CE 4.14Å; V40-M43 PolarHBondContact O-N 2.92Å; M43-I46 PolarHBondContact O-N 3.29Å; M43-Y47 WeakPolarHBondContact O-CB 3.28Å; M43-Y47 PolarHBondContact O-N 3.25Å
44V75.3Confident66.8Low74 Ų7486.3 Ų86.345%0.44843%0.428SS..Hα-helixtrans-66.1-42.3-179.91720000111.4V40 C42 Y47 R48V40-V44 HydrophobicContact CG1-CG2 4.34Å; V40-V44 WeakPolarHBondContact O-CB 3.23Å; V40-V44 VanDerWaalsContact O-CG2 3.28Å; V40-V44 WeakPolarHBondContact O-CG2 3.21Å; V40-V44 PolarHBondContact O-N 2.76Å; C42-V44 PolarHBondContact O-N 3.08Å; V44-Y47 PolarHBondContact O-N 3.41Å; V44-R48 WeakPolarHBondContact O-CB 3.27Å; V44-R48 PolarHBondContact O-N 2.99Å
45K72.7Confident67.1Low67 Ų6781.7 Ų81.729%0.29140%0.399SS..Hα-helixtrans-66.7-40.5176.7-80.3171.9179.2156.40112.3T35 Y36 D41 C42 R48 H49T35-K45 PolarHBondContact O-NZ 2.78Å; T35-K45 VanDerWaalsContact O-NZ 3.16Å; Y36-K45 HydrophobicContact CD1-CB 4.48Å; Y36-K45 HydrophobicContact CD1-CD 3.77Å; Y36-K45 HydrophobicContact CE1-CB 3.88Å; Y36-K45 HydrophobicContact CE1-CD 3.69Å; Y36-K45 HydrophobicContact CE1-CG 4.45Å; D41-K45 WeakPolarHBondContact O-CB 3.33Å; D41-K45 WeakPolarHBondContact O-CG 3.35Å; D41-K45 PolarHBondContact O-N 2.95Å; D41-K45 VanDerWaalsContact OD1-CE 3.3Å; D41-K45 WeakPolarHBondContact OD1-CE 3.48Å; D41-K45 IonicContact OD1-NZ 3.26Å; D41-K45 PolarHBondContact OD1-NZ 2.84Å; D41-K45 IonicContact OD2-NZ 2.84Å; D41-K45 PolarHBondContact OD2-NZ 3.05Å; C42-K45 PolarHBondContact O-N 2.91Å; K45-R48 PolarHBondContact O-N 3.2Å; K45-H49 WeakPolarHBondContact O-CB 3.44Å; K45-H49 PolarHBondContact O-CD2 3.2Å; K45-H49 PolarHBondContact O-N 3.36Å
46I69.9Low67.3Low1 Ų181.1 Ų81.11%0.00539%0.388CS..Hα-helixtrans-61-48.7175-65.8163000109.8V26 C42 M43 R48 H49 E50 S51 F55V26-I46 HydrophobicContact CG2-CD1 3.96Å; C42-I46 WeakPolarHBondContact O-CD1 3.28Å; C42-I46 WeakPolarHBondContact O-CG1 3.31Å; C42-I46 PolarHBondContact O-N 2.81Å; M43-I46 PolarHBondContact O-N 3.29Å; I46-R48 VanDerWaalsContact C-N 3.34Å; I46-R48 PolarHBondContact O-N 2.94Å; I46-H49 PolarHBondContact O-N 3.26Å; I46-E50 PolarHBondContact O-N 3.31Å; I46-S51 PolarHBondContact O-N 2.92Å; I46-F55 HydrophobicContact CB-CE1 4.05Å; I46-F55 HydrophobicContact CB-CE2 4.24Å; I46-F55 HydrophobicContact CB-CZ 3.73Å; I46-F55 HydrophobicContact CD1-CE1 4Å; I46-F55 HydrophobicContact CD1-CZ 4.5Å; I46-F55 HydrophobicContact CG2-CD1 4Å; I46-F55 HydrophobicContact CG2-CD2 3.91Å; I46-F55 HydrophobicContact CG2-CE1 3.68Å; I46-F55 HydrophobicContact CG2-CE2 3.57Å; I46-F55 HydrophobicContact CG2-CG 4.12Å; I46-F55 HydrophobicContact CG2-CZ 3.45Å; I46-F55 VanDerWaalsContact CG2-CZ 3.45Å
47Y73.8Confident67.2Low141 Ų14184.1 Ų84.155%0.55340%0.402SS*.Hα-helixtrans-61-42.1179.5-175.7-99.2000112.3M43 V44 S51 L52M43-Y47 WeakPolarHBondContact O-CB 3.28Å; M43-Y47 PolarHBondContact O-N 3.25Å; V44-Y47 PolarHBondContact O-N 3.41Å; Y47-S51 WeakPolarHBondContact O-CA 3.44Å; Y47-S51 PolarHBondContact O-N 3.49Å; Y47-L52 HydrophobicContact CD2-CD2 4.01Å; Y47-L52 HydrophobicContact CD2-CG 4.34Å; Y47-L52 HydrophobicContact CE2-CD2 3.82Å; Y47-L52 HydrophobicContact CE2-CG 3.89Å
48R70.3Confident67.2Low212 Ų21273.3 Ų73.380%0.837%0.367SS*.Hα-helixtrans-71.9-36.6178.8-90.6-170.3169.2-176.3-1.7114.6V44 K45 I46V44-R48 WeakPolarHBondContact O-CB 3.27Å; V44-R48 PolarHBondContact O-N 2.99Å; K45-R48 PolarHBondContact O-N 3.2Å; I46-R48 VanDerWaalsContact C-N 3.34Å; I46-R48 PolarHBondContact O-N 2.94Å
49H70Confident67Low151 Ų15172.7 Ų72.770%0.69936%0.357SS*.Hα-helixtrans-96-28.5-173.9-80.8-83.3000114.4K45 I46K45-H49 WeakPolarHBondContact O-CB 3.44Å; K45-H49 PolarHBondContact O-CD2 3.2Å; K45-H49 PolarHBondContact O-N 3.36Å; I46-H49 PolarHBondContact O-N 3.26Å
50E62Low66.9Low37 Ų3773.4 Ų73.417%0.17337%0.369CS..Hα-helixtrans-126.21.8-172.2-65.7-178.2-145.300113.8R29 I46 G54R29-E50 IonicContact CZ-OE1 3.06Å; R29-E50 IonicContact CZ-OE2 3.55Å; R29-E50 IonicContact NH1-OE1 3.29Å; R29-E50 PolarHBondContact NH1-OE1 3.38Å; R29-E50 IonicContact NH1-OE2 3.81Å; R29-E50 VanDerWaalsContact NH2-CD 3.31Å; R29-E50 IonicContact NH2-OE1 2.69Å; R29-E50 PolarHBondContact NH2-OE1 2.83Å; R29-E50 VanDerWaalsContact NH2-OE1 3.14Å; R29-E50 IonicContact NH2-OE2 2.58Å; R29-E50 PolarHBondContact NH2-OE2 3.37Å; I46-E50 PolarHBondContact O-N 3.31Å; E50-G54 PolarHBondContact O-N 2.96Å
51S68.3Low66.5Low72 Ų7270.5 Ų70.550%0.50335%0.348SS..THydrogen-bonded Turntrans58.3-173.8-176.4-166.40000112.9I46 Y47 L53 G54I46-S51 PolarHBondContact O-N 2.92Å; Y47-S51 WeakPolarHBondContact O-CA 3.44Å; Y47-S51 PolarHBondContact O-N 3.49Å; S51-L53 PolarHBondContact O-N 2.72Å; S51-G54 PolarHBondContact O-N 2.8Å; S51-G54 VanDerWaalsContact O-N 3.16Å
52L63Low66.1Low104 Ų10468.6 Ų68.655%0.54534%0.338SS..G310 helixtrans-60.3-30.7178.8-73.6171.1000112.5Y47 G54 F55 F56Y47-L52 HydrophobicContact CD2-CD2 4.01Å; Y47-L52 HydrophobicContact CD2-CG 4.34Å; Y47-L52 HydrophobicContact CE2-CD2 3.82Å; Y47-L52 HydrophobicContact CE2-CG 3.89Å; L52-G54 VanDerWaalsContact C-N 3.25Å; L52-G54 PolarHBondContact O-N 2.96Å; L52-F55 PolarHBondContact O-N 3.42Å; L52-F56 WeakPolarHBondContact O-CD2 3.29Å
53L63.2Low66.1Low142 Ų14270.7 Ų70.774%0.74335%0.349SS*.G310 helixtrans-68.3-22179-69.3168.1000113.2S51 F55 F56 K57S51-L53 PolarHBondContact O-N 2.72Å; L53-F55 VanDerWaalsContact C-N 3.26Å; L53-F55 PolarHBondContact O-N 2.87Å; L53-F56 PolarHBondContact O-N 3.47Å; L53-K57 PolarHBondContact O-N 3.25Å
54G61.2Low66.1Low3 Ų370.7 Ų70.73%0.03136%0.36CS..G310 helixtrans-60.4-33173.100000113.6E50 S51 L52 F56E50-G54 PolarHBondContact O-N 2.96Å; S51-G54 PolarHBondContact O-N 2.8Å; S51-G54 VanDerWaalsContact O-N 3.16Å; L52-G54 VanDerWaalsContact C-N 3.25Å; L52-G54 PolarHBondContact O-N 2.96Å; G54-F56 VanDerWaalsContact C-N 3.31Å; G54-F56 PolarHBondContact O-N 3.07Å
55F61.6Low65.5Low23 Ų2368.1 Ų68.110%0.10135%0.345CS..G310 helixtrans-72.9-22.6177.7-66.8-82.1000113.5H21 P22 T25 V26 I46 L52 L53H21-F55 PolarHBondContact ND1-O 3.47Å; P22-F55 HydrophobicContact CB-CB 4.29Å; P22-F55 HydrophobicContact CB-CD1 4Å; P22-F55 HydrophobicContact CB-CG 4.44Å; P22-F55 HydrophobicContact CG-CB 4.38Å; T25-F55 PolarHBondContact OG1-O 3.01Å; V26-F55 HydrophobicContact CG2-CE1 4.08Å; I46-F55 HydrophobicContact CB-CE1 4.05Å; I46-F55 HydrophobicContact CB-CE2 4.24Å; I46-F55 HydrophobicContact CB-CZ 3.73Å; I46-F55 HydrophobicContact CD1-CE1 4Å; I46-F55 HydrophobicContact CD1-CZ 4.5Å; I46-F55 HydrophobicContact CG2-CD1 4Å; I46-F55 HydrophobicContact CG2-CD2 3.91Å; I46-F55 HydrophobicContact CG2-CE1 3.68Å; I46-F55 HydrophobicContact CG2-CE2 3.57Å; I46-F55 HydrophobicContact CG2-CG 4.12Å; I46-F55 HydrophobicContact CG2-CZ 3.45Å; I46-F55 VanDerWaalsContact CG2-CZ 3.45Å; L52-F55 PolarHBondContact O-N 3.42Å; L53-F55 VanDerWaalsContact C-N 3.26Å; L53-F55 PolarHBondContact O-N 2.87Å
56F62.4Low65.4Low83 Ų8366 Ų6636%0.36434%0.337SS..G310 helixtrans-103.10.3-177.4-65.3-85.1000113V18 P22 L52 L53 G54 G58 M59V18-F56 HydrophobicContact CG1-CE1 3.85Å; P22-F56 HydrophobicContact CG-CZ 4.36Å; L52-F56 WeakPolarHBondContact O-CD2 3.29Å; L53-F56 PolarHBondContact O-N 3.47Å; G54-F56 VanDerWaalsContact C-N 3.31Å; G54-F56 PolarHBondContact O-N 3.07Å; F56-G58 PolarHBondContact O-N 3.1Å; F56-M59 HydrophobicContact CD1-CE 3.2Å; F56-M59 HydrophobicContact CD1-SD 3.56Å; F56-M59 VanDerWaalsContact CD1-SD 3.56Å; F56-M59 HydrophobicContact CE1-CE 3.59Å; F56-M59 HydrophobicContact CE1-SD 4.16Å; F56-M59 HydrophobicContact CG-CE 4.27Å; F56-M59 VanDerWaalsContact O-CB 3.23Å; F56-M59 WeakPolarHBondContact O-CB 3.45Å; F56-M59 PolarHBondContact O-N 3.05Å; F56-M59 VanDerWaalsContact O-N 3.12Å
57K60Low65.4Low96 Ų9667.1 Ų67.142%0.41735%0.346SS..THydrogen-bonded Turntrans-62.6119.9-179.5-159.3175-178.8-1760110.2L53L53-K57 PolarHBondContact O-N 3.25Å
58G59.7Low65.2Low19 Ų1964.8 Ų64.820%0.19635%0.346CS..THydrogen-bonded Turntrans88.87.3-178.600000115.8F56 P62F56-G58 PolarHBondContact O-N 3.1Å; G58-P62 WeakPolarHBondContact O-CD 3.29Å
59M64.1Low65.1Low12 Ų1255.7 Ų55.76%0.05932%0.315CS..  trans-76.4-26.2-179.1-178-176.4-77.700114.5L17 V18 H21 F56 F61 P62 I63L17-M59 HydrophobicContact CD2-CG 4.48Å; V18-M59 HydrophobicContact CB-CE 4.43Å; V18-M59 HydrophobicContact CB-SD 4.22Å; V18-M59 HydrophobicContact CG2-CE 4.48Å; V18-M59 HydrophobicContact CG2-SD 3.68Å; H21-M59 HydrophobicContact CB-CE 3.04Å; F56-M59 HydrophobicContact CD1-CE 3.2Å; F56-M59 HydrophobicContact CD1-SD 3.56Å; F56-M59 VanDerWaalsContact CD1-SD 3.56Å; F56-M59 HydrophobicContact CE1-CE 3.59Å; F56-M59 HydrophobicContact CE1-SD 4.16Å; F56-M59 HydrophobicContact CG-CE 4.27Å; F56-M59 VanDerWaalsContact O-CB 3.23Å; F56-M59 WeakPolarHBondContact O-CB 3.45Å; F56-M59 PolarHBondContact O-N 3.05Å; F56-M59 VanDerWaalsContact O-N 3.12Å; M59-F61 PolarHBondContact O-N 3.07Å; M59-F61 VanDerWaalsContact O-N 3.11Å; M59-P62 VanDerWaalsContact O-CD 3.26Å; M59-P62 WeakPolarHBondContact O-CD 3.39Å; M59-I63 HydrophobicContact CG-CD1 3.54Å; M59-I63 HydrophobicContact CG-CG1 3.95Å; M59-I63 WeakPolarHBondContact O-CG1 3.29Å; M59-I63 PolarHBondContact O-N 3.23Å; M59-I63 HydrophobicContact SD-CD1 3.7Å
60S64.7Low65Low87 Ų8751.3 Ų51.361%0.60830%0.296SS*.Hα-helixtrans-55.8-34.1-177.452.30000112.8A64S60-A64 WeakPolarHBondContact O-CB 3.25Å; S60-A64 PolarHBondContact O-N 2.85Å
61F64.6Low65.3Low38 Ų3852.3 Ų52.317%0.16731%0.307CS..Hα-helixtrans-78.2-47.7-175.2-170.8-95.9000113.5M59 I63 A64 S65 F120 I123 K124 P147M59-F61 PolarHBondContact O-N 3.07Å; M59-F61 VanDerWaalsContact O-N 3.11Å; F61-I63 VanDerWaalsContact C-N 3.32Å; F61-I63 PolarHBondContact O-N 2.92Å; F61-A64 PolarHBondContact O-N 2.81Å; F61-S65 WeakPolarHBondContact O-CB 3.4Å; F61-S65 PolarHBondContact O-N 3.34Å; F61-S65 PolarHBondContact O-OG 2.93Å; F61-S65 VanDerWaalsContact O-OG 3.12Å; F61-F120 HydrophobicContact CE1-CB 3.53Å; F61-F120 AromaticContact CE1-CD1 3.59Å; F61-F120 HydrophobicContact CE1-CD1 3.59Å; F61-F120 HydrophobicContact CE1-CG 4.02Å; F61-F120 VanDerWaalsContact CE1-O 3.25Å; F61-F120 WeakPolarHBondContact CE1-O 3.24Å; F61-F120 HydrophobicContact CE2-CD1 4.03Å; F61-F120 HydrophobicContact CZ-CB 3.9Å; F61-F120 AromaticContact CZ-CD1 3.18Å; F61-F120 HydrophobicContact CZ-CD1 3.18Å; F61-F120 HydrophobicContact CZ-CE1 4.01Å; F61-F120 AromaticContact CZ-CG 3.91Å; F61-F120 HydrophobicContact CZ-CG 3.91Å; F61-I123 HydrophobicContact CZ-CD1 4.4Å; F61-K124 HydrophobicContact CD1-CB 4.48Å; F61-P147 HydrophobicContact CD2-CB 4.14Å; F61-P147 HydrophobicContact CE2-CB 4.42Å
62P64.2Low65.4Low9 Ų950.8 Ų50.86%0.05830%0.295CS..Hα-helixtrans-52.8-42166.5-32.135.7000115.4L17 G58 M59 A64 S65 I66 K124L17-P62 HydrophobicContact CD2-CB 3.27Å; L17-P62 HydrophobicContact CD2-CG 4.35Å; L17-P62 HydrophobicContact CG-CB 4.48Å; G58-P62 WeakPolarHBondContact O-CD 3.29Å; M59-P62 VanDerWaalsContact O-CD 3.26Å; M59-P62 WeakPolarHBondContact O-CD 3.39Å; P62-A64 VanDerWaalsContact C-N 3.35Å; P62-S65 WeakPolarHBondContact CA-OG 3.35Å; P62-S65 PolarHBondContact O-N 3.11Å; P62-S65 PolarHBondContact O-OG 2.98Å; P62-I66 WeakPolarHBondContact O-CB 3.33Å; P62-I66 PolarHBondContact O-N 3.07Å; P62-K124 HydrophobicContact CG-CD 3.64Å; P62-K124 HydrophobicContact CG-CG 4.24Å
63I68.6Low65.6Low44 Ų4447.1 Ų47.123%0.22628%0.276CS..Hα-helixtrans-67.3-40.7178.8-67.4178.3000110A14 L17 V18 M59 F61 I66A14-I63 HydrophobicContact CB-CG2 4.25Å; L17-I63 HydrophobicContact CD2-CG1 3.86Å; V18-I63 HydrophobicContact CG2-CD1 3.79Å; M59-I63 HydrophobicContact CG-CD1 3.54Å; M59-I63 HydrophobicContact CG-CG1 3.95Å; M59-I63 WeakPolarHBondContact O-CG1 3.29Å; M59-I63 PolarHBondContact O-N 3.23Å; M59-I63 HydrophobicContact SD-CD1 3.7Å; F61-I63 VanDerWaalsContact C-N 3.32Å; F61-I63 PolarHBondContact O-N 2.92Å; I63-I66 WeakPolarHBondContact O-CG2 3.4Å
64A68.5Low65.8Low69 Ų6946.2 Ų46.257%0.5727%0.266SS*.Hα-helixtrans-67.4-33.9175.800000112.8S60 F61 P62S60-A64 WeakPolarHBondContact O-CB 3.25Å; S60-A64 PolarHBondContact O-N 2.85Å; F61-A64 PolarHBondContact O-N 2.81Å; P62-A64 VanDerWaalsContact C-N 3.35Å
65S64Low66.1Low20 Ų2048 Ų4814%0.1429%0.285CS..Hα-helixtrans-87.9-18.2-175.265.70000114.6F61 P62 A67 V68 V69F61-S65 WeakPolarHBondContact O-CB 3.4Å; F61-S65 PolarHBondContact O-N 3.34Å; F61-S65 PolarHBondContact O-OG 2.93Å; F61-S65 VanDerWaalsContact O-OG 3.12Å; P62-S65 WeakPolarHBondContact CA-OG 3.35Å; P62-S65 PolarHBondContact O-N 3.11Å; P62-S65 PolarHBondContact O-OG 2.98Å; S65-A67 VanDerWaalsContact C-N 3.31Å; S65-A67 PolarHBondContact O-N 3.42Å; S65-V68 PolarHBondContact O-N 2.94Å; S65-V69 VanDerWaalsContact O-CG2 3.23Å; S65-V69 WeakPolarHBondContact O-CG2 3.23Å; S65-V69 PolarHBondContact O-N 3.49Å
66I70.6Confident66.5Low23 Ų2348.1 Ų48.112%0.11829%0.287CS..Hα-helixtrans-58.6-37.8-172.3-159162.6000113.9W10 L17 P62 I63 V69 N70W10-I66 VanDerWaalsContact CD1-CG2 3.47Å; L17-I66 HydrophobicContact CD1-CD1 4.47Å; P62-I66 WeakPolarHBondContact O-CB 3.33Å; P62-I66 PolarHBondContact O-N 3.07Å; I63-I66 WeakPolarHBondContact O-CG2 3.4Å; I66-V69 PolarHBondContact O-N 3.21Å; I66-N70 WeakPolarHBondContact O-CB 3.19Å; I66-N70 PolarHBondContact O-N 3.45Å; I66-N70 PolarHBondContact O-ND2 2.96Å
67A68.2Low66.6Low24 Ų2445.9 Ų45.920%0.19828%0.277CS..Hα-helixtrans-65-43.2176.900000111.9S65 S71S65-A67 VanDerWaalsContact C-N 3.31Å; S65-A67 PolarHBondContact O-N 3.42Å; A67-S71 VanDerWaalsContact O-CB 3.24Å; A67-S71 WeakPolarHBondContact O-CB 3.2Å; A67-S71 PolarHBondContact O-N 3.25Å; A67-S71 PolarHBondContact O-OG 3.37Å
68V70.5Confident66.8Low92 Ų9243.7 Ų43.756%0.55827%0.273SS*.Hα-helixtrans-66.8-44179.6-179.50000109.6S65 S71 V72S65-V68 PolarHBondContact O-N 2.94Å; V68-S71 PolarHBondContact O-N 3.25Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.33Å; V68-V72 PolarHBondContact O-N 2.88Å
69V68.5Low67.2Low22 Ų2247.8 Ų47.813%0.13329%0.29CS..Hα-helixtrans-61.6-50.4-1801720000111.9S65 I66 S71 V72 L73 Q113 L117S65-V69 VanDerWaalsContact O-CG2 3.23Å; S65-V69 WeakPolarHBondContact O-CG2 3.23Å; S65-V69 PolarHBondContact O-N 3.49Å; I66-V69 PolarHBondContact O-N 3.21Å; V69-S71 VanDerWaalsContact C-N 3.33Å; V69-V72 PolarHBondContact O-N 3.28Å; V69-L73 WeakPolarHBondContact O-CB 3.31Å; V69-L73 PolarHBondContact O-N 3.12Å; V69-Q113 HydrophobicContact CG1-CG 4.34Å; V69-Q113 VanDerWaalsContact CG1-NE2 3.27Å; V69-L117 HydrophobicContact CB-CD2 4.44Å; V69-L117 HydrophobicContact CG1-CD1 3.75Å; V69-L117 HydrophobicContact CG1-CD2 4.43Å; V69-L117 HydrophobicContact CG1-CG 4.33Å; V69-L117 HydrophobicContact CG2-CD1 4.07Å; V69-L117 HydrophobicContact CG2-CD2 3.2Å; V69-L117 HydrophobicContact CG2-CG 3.77Å
70N67.8Low67.2Low59 Ų5948 Ų4832%0.31629%0.293SS..Hα-helixtrans-66.5-39.1-179.8-71.4-15.9000110.8I66 V72 L73 F74I66-N70 WeakPolarHBondContact O-CB 3.19Å; I66-N70 PolarHBondContact O-N 3.45Å; I66-N70 PolarHBondContact O-ND2 2.96Å; N70-V72 PolarHBondContact O-N 3.36Å; N70-L73 PolarHBondContact O-N 3.2Å; N70-F74 HydrophobicContact CB-CD2 4.33Å; N70-F74 HydrophobicContact CB-CE2 4.27Å; N70-F74 WeakPolarHBondContact O-CD2 3.13Å; N70-F74 PolarHBondContact O-N 3.05Å
71S68.3Low67.1Low58 Ų5844.8 Ų44.841%0.40627%0.268SS..Hα-helixtrans-60.1-44.6175-61.60000112.3A67 V68 V69 G75A67-S71 VanDerWaalsContact O-CB 3.24Å; A67-S71 WeakPolarHBondContact O-CB 3.2Å; A67-S71 PolarHBondContact O-N 3.25Å; A67-S71 PolarHBondContact O-OG 3.37Å; V68-S71 PolarHBondContact O-N 3.25Å; V69-S71 VanDerWaalsContact C-N 3.33Å; S71-G75 WeakPolarHBondContact O-CA 3.22Å; S71-G75 PolarHBondContact O-N 3.41Å
72V70.5Confident67.2Low40 Ų4046.7 Ų46.724%0.24228%0.28CS..Hα-helixtrans-64.8-45.1176.4171.30000110.7V68 V69 N70 G75 V76V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.33Å; V68-V72 PolarHBondContact O-N 2.88Å; V69-V72 PolarHBondContact O-N 3.28Å; N70-V72 PolarHBondContact O-N 3.36Å; V72-G75 PolarHBondContact O-N 2.98Å; V72-V76 HydrophobicContact CG1-CG2 4.11Å; V72-V76 VanDerWaalsContact O-CB 3.31Å; V72-V76 WeakPolarHBondContact O-CB 3.19Å; V72-V76 WeakPolarHBondContact O-CG2 3.17Å; V72-V76 PolarHBondContact O-N 3.32Å
73L67.4Low67.2Low26 Ų2653 Ų5314%0.13631%0.312CS..Hα-helixtrans-58.9-53.1178.9177.258.1000111.9V69 N70 Y77 Q113 V178V69-L73 WeakPolarHBondContact O-CB 3.31Å; V69-L73 PolarHBondContact O-N 3.12Å; N70-L73 PolarHBondContact O-N 3.2Å; L73-Y77 WeakPolarHBondContact O-CB 3.39Å; L73-Y77 PolarHBondContact O-N 3.48Å; L73-Q113 HydrophobicContact CB-CG 4.3Å; L73-V178 HydrophobicContact CD1-CG1 4.45Å
74F66.3Low66.8Low124 Ų12453.4 Ų53.454%0.54432%0.315SS..Hα-helixtrans-70.1-35.6-178.9-71.3-62.5000112.7N70 S78N70-F74 HydrophobicContact CB-CD2 4.33Å; N70-F74 HydrophobicContact CB-CE2 4.27Å; N70-F74 WeakPolarHBondContact O-CD2 3.13Å; N70-F74 PolarHBondContact O-N 3.05Å; F74-S78 VanDerWaalsContact O-CB 3.25Å; F74-S78 WeakPolarHBondContact O-CB 3.38Å; F74-S78 PolarHBondContact O-N 3.26Å; F74-S78 PolarHBondContact O-OG 2.96Å
75G68.1Low66.3Low41 Ų4152.8 Ų52.842%0.42330%0.304SS..Hα-helixtrans-65.5-47.9176.500000112.1S71 V72 S78 N79S71-G75 WeakPolarHBondContact O-CA 3.22Å; S71-G75 PolarHBondContact O-N 3.41Å; V72-G75 PolarHBondContact O-N 2.98Å; G75-S78 PolarHBondContact O-N 2.95Å; G75-N79 WeakPolarHBondContact O-CB 3.49Å; G75-N79 PolarHBondContact O-N 3.38Å
76V69.2Low65.9Low25 Ų2556.1 Ų56.115%0.15233%0.333CS..Hα-helixtrans-66.8-45.5176.7177.30000110.4V72 S78 N79 T80 L112V72-V76 HydrophobicContact CG1-CG2 4.11Å; V72-V76 VanDerWaalsContact O-CB 3.31Å; V72-V76 WeakPolarHBondContact O-CB 3.19Å; V72-V76 WeakPolarHBondContact O-CG2 3.17Å; V72-V76 PolarHBondContact O-N 3.32Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 3.47Å; V76-N79 PolarHBondContact O-N 3.49Å; V76-T80 VanDerWaalsContact O-CB 3.24Å; V76-T80 WeakPolarHBondContact O-CB 3.41Å; V76-T80 PolarHBondContact O-N 2.92Å; V76-T80 PolarHBondContact O-OG1 3.36Å; V76-L112 HydrophobicContact CG1-CB 4.15Å; V76-L112 HydrophobicContact CG1-CD1 3.59Å; V76-L112 HydrophobicContact CG1-CG 4.46Å; V76-L112 HydrophobicContact CG2-CB 4.27Å; V76-L112 HydrophobicContact CG2-CD1 4.31Å
77Y65.6Low64.9Low36 Ų3658.2 Ų58.214%0.14135%0.347CS..Hα-helixtrans-55-47.4176179.8-100.1000111.6L73 L81 A105 F182L73-Y77 WeakPolarHBondContact O-CB 3.39Å; L73-Y77 PolarHBondContact O-N 3.48Å; Y77-L81 HydrophobicContact CE1-CD2 4.4Å; Y77-L81 WeakPolarHBondContact O-CB 3.45Å; Y77-L81 PolarHBondContact O-N 3.01Å; Y77-A105 HydrophobicContact CD2-CB 4.46Å; Y77-A105 HydrophobicContact CE2-CB 4.37Å; Y77-F182 HydrophobicContact CD1-CZ 4.49Å; Y77-F182 HydrophobicContact CD2-CD2 4.4Å; Y77-F182 HydrophobicContact CD2-CE1 4.1Å; Y77-F182 AromaticContact CD2-CE2 3.89Å; Y77-F182 HydrophobicContact CD2-CE2 3.89Å; Y77-F182 AromaticContact CD2-CZ 3.73Å; Y77-F182 HydrophobicContact CD2-CZ 3.73Å; Y77-F182 HydrophobicContact CE1-CE1 4.09Å; Y77-F182 HydrophobicContact CE1-CZ 4.44Å; Y77-F182 AromaticContact CE2-CD1 3.74Å; Y77-F182 HydrophobicContact CE2-CD1 3.74Å; Y77-F182 HydrophobicContact CE2-CD2 4.11Å; Y77-F182 AromaticContact CE2-CE1 3.56Å; Y77-F182 HydrophobicContact CE2-CE1 3.56Å; Y77-F182 AromaticContact CE2-CE2 3.95Å; Y77-F182 HydrophobicContact CE2-CE2 3.95Å; Y77-F182 HydrophobicContact CE2-CG 4.02Å; Y77-F182 AromaticContact CE2-CZ 3.67Å; Y77-F182 HydrophobicContact CE2-CZ 3.67Å; Y77-F182 HydrophobicContact CG-CZ 4.14Å; Y77-F182 AromaticContact CZ-CD1 3.84Å; Y77-F182 AromaticContact CZ-CE1 3.55Å
78S64.1Low63.9Low49 Ų4961.4 Ų61.434%0.34337%0.368SS..Hα-helixtrans-63.8-46.1179-61.10000112F74 G75 V76 L81 L82F74-S78 VanDerWaalsContact O-CB 3.25Å; F74-S78 WeakPolarHBondContact O-CB 3.38Å; F74-S78 PolarHBondContact O-N 3.26Å; F74-S78 PolarHBondContact O-OG 2.96Å; G75-S78 PolarHBondContact O-N 2.95Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 3.47Å; S78-L81 PolarHBondContact O-N 3Å; S78-L82 WeakPolarHBondContact O-CG 3.46Å; S78-L82 PolarHBondContact O-N 2.72Å
79N67.6Low62.7Low105 Ų10563.6 Ų63.656%0.56137%0.371SS*.Hα-helixtrans-71.3-38.8-177.4-163.952000112.6G75 V76 L82 L83G75-N79 WeakPolarHBondContact O-CB 3.49Å; G75-N79 PolarHBondContact O-N 3.38Å; V76-N79 PolarHBondContact O-N 3.49Å; N79-L82 PolarHBondContact O-N 3.25Å; N79-L83 WeakPolarHBondContact O-CB 3.41Å; N79-L83 PolarHBondContact O-N 2.61Å
80T64.6Low61.5Low17 Ų1770.7 Ų70.710%0.10440%0.403CS..Hα-helixtrans-68.5-38.6176.2-610000111.3V76 L82 L83 L84 A105 T108V76-T80 VanDerWaalsContact O-CB 3.24Å; V76-T80 WeakPolarHBondContact O-CB 3.41Å; V76-T80 PolarHBondContact O-N 2.92Å; V76-T80 PolarHBondContact O-OG1 3.36Å; T80-L82 VanDerWaalsContact C-N 3.34Å; T80-L83 PolarHBondContact O-N 3.31Å; T80-L84 HydrophobicContact CG2-CD1 3.56Å; T80-L84 WeakPolarHBondContact O-CB 3.47Å; T80-L84 WeakPolarHBondContact O-CD1 3.39Å; T80-L84 PolarHBondContact O-N 3.21Å; T80-A105 HydrophobicContact CG2-CB 4.1Å; T80-T108 HydrophobicContact CG2-CG2 3.98Å
81L62.3Low60.4Low19 Ų1973.1 Ų73.110%0.09941%0.413CS..Hα-helixtrans-64-40.2173.3-167.472.8000111.4Y77 S78 T85 A105Y77-L81 HydrophobicContact CE1-CD2 4.4Å; Y77-L81 WeakPolarHBondContact O-CB 3.45Å; Y77-L81 PolarHBondContact O-N 3.01Å; S78-L81 PolarHBondContact O-N 3Å; L81-T85 VanDerWaalsContact O-CB 3.25Å; L81-T85 WeakPolarHBondContact O-CB 3.47Å; L81-T85 PolarHBondContact O-N 3.05Å; L81-T85 PolarHBondContact O-OG1 3.16Å; L81-A105 HydrophobicContact CD1-CB 4.27Å
82L65.4Low59.4Low79 Ų7977 Ų7741%0.41442%0.418SS..Hα-helixtrans-62.1-42.4174-73.1169.1000112S78 N79 T80 A86S78-L82 WeakPolarHBondContact O-CG 3.46Å; S78-L82 PolarHBondContact O-N 2.72Å; N79-L82 PolarHBondContact O-N 3.25Å; T80-L82 VanDerWaalsContact C-N 3.34Å; L82-A86 PolarHBondContact O-N 2.94Å
83L65Low58.2Low141 Ų14186.5 Ų86.574%0.73845%0.45SS*.Hα-helixtrans-68-41.1179.8-156.190.4000112.6N79 T80N79-L83 WeakPolarHBondContact O-CB 3.41Å; N79-L83 PolarHBondContact O-N 2.61Å; T80-L83 PolarHBondContact O-N 3.31Å
84L60.8Low57.1Low52 Ų5289 Ų8927%0.27247%0.474SS..Hα-helixtrans-75.3-29.1-178.6-84.9154.3000113.5T80 L104 A105T80-L84 HydrophobicContact CG2-CD1 3.56Å; T80-L84 WeakPolarHBondContact O-CB 3.47Å; T80-L84 WeakPolarHBondContact O-CD1 3.39Å; T80-L84 PolarHBondContact O-N 3.21Å; L84-L104 HydrophobicContact CD1-CB 4.31Å; L84-L104 HydrophobicContact CD2-CD2 3.86Å; L84-A105 HydrophobicContact CD1-CB 4.12Å
85T58Low56Low57 Ų5790.4 Ų90.435%0.3548%0.482SS..Hα-helixtrans-86.9-22.1-175.9-47.30000111.2L81 T87L81-T85 VanDerWaalsContact O-CB 3.25Å; L81-T85 WeakPolarHBondContact O-CB 3.47Å; L81-T85 PolarHBondContact O-N 3.05Å; L81-T85 PolarHBondContact O-OG1 3.16Å; T85-T87 WeakPolarHBondContact CG2-OG1 3.43Å; T85-T87 PolarHBondContact O-N 3.33Å; T85-T87 PolarHBondContact O-OG1 3.36Å
86A55.4Low55.4Low89 Ų8993 Ų9374%0.73649%0.491SS*.  trans45.721176.400000115.2L82L82-A86 PolarHBondContact O-N 2.94Å
87T49.2Very low54.8Low68 Ų6893.9 Ų93.942%0.41750%0.498SS..SBendtrans-137.3146.3-178.448.60000111.3T85 E91T85-T87 WeakPolarHBondContact CG2-OG1 3.43Å; T85-T87 PolarHBondContact O-N 3.33Å; T85-T87 PolarHBondContact O-OG1 3.36Å; T87-E91 WeakPolarHBondContact CB-OE2 3.22Å; T87-E91 VanDerWaalsContact CG2-OE2 3.24Å; T87-E91 WeakPolarHBondContact CG2-OE2 3.16Å
88S47Very low54.8Low91 Ų9195.1 Ų95.164%0.63651%0.512SS*.  trans-60.1154.2-166.9-161.40000112.6Q90 E91S88-Q90 PolarHBondContact O-N 3.35Å; S88-E91 PolarHBondContact O-N 3.37Å
89H46.5Very low54.8Low137 Ų13797.7 Ų97.763%0.63452%0.515SS*.THydrogen-bonded Turntrans-46.7-16.6179.5-126.3-94.7000115.1R92H89-R92 WeakPolarHBondContact O-CB 3.32Å
90Q41.7Very low54.5Low172 Ų17297.2 Ų97.280%0.80452%0.516SS*.THydrogen-bonded Turntrans-86-27.9-176.4-158.5140.2-29.100114.5S88S88-Q90 PolarHBondContact O-N 3.35Å
91E46.1Very low54.7Low110 Ų110100.1 Ų100.151%0.51453%0.528SS..G310 helixtrans-85-12.7175.9-75-174.3138.600113.2T87 S88 R93 A94 Q95T87-E91 WeakPolarHBondContact CB-OE2 3.22Å; T87-E91 VanDerWaalsContact CG2-OE2 3.24Å; T87-E91 WeakPolarHBondContact CG2-OE2 3.16Å; S88-E91 PolarHBondContact O-N 3.37Å; E91-R93 PolarHBondContact O-N 3.1Å; E91-A94 PolarHBondContact O-N 3.31Å; E91-Q95 PolarHBondContact O-N 3.42Å
92R46.8Very low54.9Low139 Ų13999.2 Ų99.253%0.52552%0.523SS..G310 helixtrans-54.3-20.1173.7-141.8-176.6-165.3-171.44.2113.8H89H89-R92 WeakPolarHBondContact O-CB 3.32Å
93R45.9Very low55.1Low240 Ų24098.8 Ų98.891%0.90652%0.518SS*.G310 helixtrans-100.3-13.3-179.4-128.5176.7-173.3172.90.9113.5E91E91-R93 PolarHBondContact O-N 3.1Å
94A42.6Very low55.4Low77 Ų7796.1 Ų96.164%0.63650%0.504SS*.THydrogen-bonded Turntrans-104.4-27.9-167.800000113.8E91E91-A94 PolarHBondContact O-N 3.31Å
95Q44.9Very low55.8Low155 Ų15593.7 Ų93.772%0.72449%0.491SS*.SBendtrans-137.3125.3178.5-69.3-177-4.400111.5E91E91-Q95 PolarHBondContact O-N 3.42Å
96P54.8Low56.2Low94 Ų9491 Ų9161%0.6148%0.475SS*.PPolyproline II helixtrans-66.4124178.126.3-31.8000109.7
97P57.1Low57Low44 Ų4487.6 Ų87.629%0.28645%0.446SS..PPolyproline II helixtrans-57.5146.3-174.416.5-27000112.5Y99 I102 R190P97-Y99 PolarHBondContact O-N 3.47Å; P97-I102 HydrophobicContact CB-CD1 4.23Å; P97-I102 HydrophobicContact CB-CG1 4.28Å; P97-I102 HydrophobicContact CG-CD1 4.09Å; P97-I102 HydrophobicContact CG-CG1 4.21Å; P97-I102 WeakPolarHBondContact O-CD1 3.31Å; P97-R190 VanDerWaalsContact O-CZ 3.28Å; P97-R190 PolarHBondContact O-NH1 2.92Å; P97-R190 PolarHBondContact O-NH2 2.93Å
98S65Low58.3Low63 Ų6386.9 Ų86.944%0.44144%0.441SS..PPolyproline II helixtrans-62138.4179.2-174.60000111.1T100 H101 I102S98-T100 PolarHBondContact O-N 3.26Å; S98-H101 PolarHBondContact O-N 3.11Å; S98-I102 PolarHBondContact O-N 2.95Å
99Y63.7Low59.3Low103 Ų10382.6 Ų82.640%0.40441%0.412SS..Hα-helixtrans-49.6-32179.3-68.8-75.7000112.8P97 F103 R190P97-Y99 PolarHBondContact O-N 3.47Å; Y99-F103 WeakPolarHBondContact O-CB 3.18Å; Y99-F103 PolarHBondContact O-N 3.3Å; Y99-R190 WeakPolarHBondContact OH-CD 3.35Å
100T62.6Low60.4Low95 Ų9576.1 Ų76.158%0.58338%0.381SS*.Hα-helixtrans-68-37.9177.6-39.10000112.8S98 L104S98-T100 PolarHBondContact O-N 3.26Å; T100-L104 WeakPolarHBondContact O-CB 3.2Å; T100-L104 PolarHBondContact O-N 2.88Å
101H67.4Low62.2Low78 Ų7871.6 Ų71.636%0.36136%0.359SS..Hα-helixtrans-70.4-38.2177.6-70.2-65.2000111.7S98 L104 A105S98-H101 PolarHBondContact O-N 3.11Å; H101-L104 PolarHBondContact O-N 2.86Å; H101-A105 VanDerWaalsContact O-CB 3.26Å; H101-A105 WeakPolarHBondContact O-CB 3.45Å; H101-A105 PolarHBondContact O-N 2.85Å
102I67.3Low63.5Low0 Ų069.8 Ų69.80%035%0.353CS..Hα-helixtrans-65-44176.2-64144.8000110.3P97 S98 A105 G106 F182 E186P97-I102 HydrophobicContact CB-CD1 4.23Å; P97-I102 HydrophobicContact CB-CG1 4.28Å; P97-I102 HydrophobicContact CG-CD1 4.09Å; P97-I102 HydrophobicContact CG-CG1 4.21Å; P97-I102 WeakPolarHBondContact O-CD1 3.31Å; S98-I102 PolarHBondContact O-N 2.95Å; I102-A105 PolarHBondContact O-N 2.88Å; I102-G106 PolarHBondContact O-N 2.9Å; I102-F182 HydrophobicContact CG2-CB 3.82Å; I102-E186 HydrophobicContact CD1-CG 3.99Å; I102-E186 VanDerWaalsContact CD1-OE1 3.29Å; I102-E186 WeakPolarHBondContact CD1-OE1 3.13Å; I102-E186 WeakPolarHBondContact CD1-OE2 3.22Å; I102-E186 WeakPolarHBondContact CG1-OE2 3.42Å; I102-E186 WeakPolarHBondContact CG2-OE2 3.11Å
103F69.8Low64.9Low69 Ų6964.1 Ų64.130%0.30333%0.332SS..Hα-helixtrans-61.9-46.2175-176.6-109.5000112.4Y99 A105 G106 C107 I183Y99-F103 WeakPolarHBondContact O-CB 3.18Å; Y99-F103 PolarHBondContact O-N 3.3Å; F103-A105 VanDerWaalsContact C-N 3.34Å; F103-A105 PolarHBondContact O-N 3.16Å; F103-G106 PolarHBondContact O-N 3.22Å; F103-C107 WeakPolarHBondContact CZ-SG 3.43Å; F103-C107 WeakPolarHBondContact O-CB 3.3Å; F103-C107 PolarHBondContact O-N 2.84Å; F103-C107 PolarHBondContact O-SG 3.36Å; F103-C107 VanDerWaalsContact O-SG 3.33Å; F103-I183 HydrophobicContact CB-CD1 3.68Å; F103-I183 HydrophobicContact CB-CG1 3.83Å; F103-I183 HydrophobicContact CD2-CD1 3.2Å; F103-I183 HydrophobicContact CD2-CG1 3.82Å; F103-I183 HydrophobicContact CE2-CD1 4Å; F103-I183 HydrophobicContact CG-CD1 3.65Å; F103-I183 HydrophobicContact CG-CG1 4.23Å
104L71.4Confident66.2Low86 Ų8652.7 Ų52.745%0.4529%0.289SS..Hα-helixtrans-66.1-38.6-179.5-141.677000111.6L84 T100 H101 T108L84-L104 HydrophobicContact CD1-CB 4.31Å; L84-L104 HydrophobicContact CD2-CD2 3.86Å; T100-L104 WeakPolarHBondContact O-CB 3.2Å; T100-L104 PolarHBondContact O-N 2.88Å; H101-L104 PolarHBondContact O-N 2.86Å; L104-T108 WeakPolarHBondContact O-CB 3.23Å; L104-T108 PolarHBondContact O-N 3.25Å; L104-T108 PolarHBondContact O-OG1 2.93Å
105A68Low68Low0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-65.8-42.417400000111.8Y77 T80 L81 L84 H101 I102 F103 G109Y77-A105 HydrophobicContact CD2-CB 4.46Å; Y77-A105 HydrophobicContact CE2-CB 4.37Å; T80-A105 HydrophobicContact CG2-CB 4.1Å; L81-A105 HydrophobicContact CD1-CB 4.27Å; L84-A105 HydrophobicContact CD1-CB 4.12Å; H101-A105 VanDerWaalsContact O-CB 3.26Å; H101-A105 WeakPolarHBondContact O-CB 3.45Å; H101-A105 PolarHBondContact O-N 2.85Å; I102-A105 PolarHBondContact O-N 2.88Å; F103-A105 VanDerWaalsContact C-N 3.34Å; F103-A105 PolarHBondContact O-N 3.16Å; A105-G109 PolarHBondContact O-N 3.43Å
106G67.4Low69.6Low0 Ų050.3 Ų50.30%027%0.267CS..Hα-helixtrans-62.6-45.8174.500000112.7I102 F103 G109 G110 V178I102-G106 PolarHBondContact O-N 2.9Å; F103-G106 PolarHBondContact O-N 3.22Å; G106-G109 PolarHBondContact O-N 3.18Å; G106-G110 PolarHBondContact O-N 3.24Å; G106-V178 VanDerWaalsContact O-CG1 3.29Å; G106-V178 WeakPolarHBondContact O-CG1 3.45Å
107C72.8Confident70.5Confident19 Ų1946.9 Ų46.913%0.12824%0.243CC..Hα-helixtrans-63.3-44.9176.7-75.30000112.1F103 G110 F111 T175F103-C107 WeakPolarHBondContact CZ-SG 3.43Å; F103-C107 WeakPolarHBondContact O-CB 3.3Å; F103-C107 PolarHBondContact O-N 2.84Å; F103-C107 PolarHBondContact O-SG 3.36Å; F103-C107 VanDerWaalsContact O-SG 3.33Å; C107-G110 PolarHBondContact O-N 3.38Å; C107-F111 WeakPolarHBondContact O-CB 3.49Å; C107-F111 PolarHBondContact O-N 2.94Å; C107-T175 HydrophobicContact CB-CG2 3.74Å
108T74.8Confident71.3Confident53 Ų5345 Ų4533%0.32523%0.232SC..Hα-helixtrans-66.1-40.5177.9-52.80000111.3T80 L104 F111 L112T80-T108 HydrophobicContact CG2-CG2 3.98Å; L104-T108 WeakPolarHBondContact O-CB 3.23Å; L104-T108 PolarHBondContact O-N 3.25Å; L104-T108 PolarHBondContact O-OG1 2.93Å; T108-F111 PolarHBondContact O-N 3.29Å; T108-L112 HydrophobicContact CG2-CD1 4.33Å; T108-L112 PolarHBondContact O-N 3.21Å; T108-L112 VanDerWaalsContact O-N 3.1Å
109G68.3Low71.8Confident1 Ų142.9 Ų42.91%0.0122%0.217CC..Hα-helixtrans-59-51.5172.200000112.5A105 G106 F111 L112 Q113A105-G109 PolarHBondContact O-N 3.43Å; G106-G109 PolarHBondContact O-N 3.18Å; G109-F111 VanDerWaalsContact C-N 3.32Å; G109-F111 PolarHBondContact O-N 2.58Å; G109-L112 PolarHBondContact O-N 2.91Å; G109-Q113 WeakPolarHBondContact O-CB 3.38Å; G109-Q113 PolarHBondContact O-N 2.92Å
110G70Confident72.2Confident0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-60.9-38.6177.700000112.9G106 C107 A114G106-G110 PolarHBondContact O-N 3.24Å; C107-G110 PolarHBondContact O-N 3.38Å; G110-A114 WeakPolarHBondContact O-CB 3.46Å; G110-A114 PolarHBondContact O-N 2.69Å
111F78.8Confident72.6Confident78 Ų7839.6 Ų39.634%0.34220%0.198SC..Hα-helixtrans-64.8-50.6177.4-177.7-93.8000112.6C107 T108 G109 A114 Y115 W168 M171C107-F111 WeakPolarHBondContact O-CB 3.49Å; C107-F111 PolarHBondContact O-N 2.94Å; T108-F111 PolarHBondContact O-N 3.29Å; G109-F111 VanDerWaalsContact C-N 3.32Å; G109-F111 PolarHBondContact O-N 2.58Å; F111-A114 PolarHBondContact O-N 3.24Å; F111-Y115 PolarHBondContact O-N 3.47Å; F111-W168 AromaticContact CE2-CZ3 3.9Å; F111-W168 HydrophobicContact CE2-CZ3 3.9Å; F111-M171 HydrophobicContact CD1-CE 4.32Å; F111-M171 HydrophobicContact CD2-CB 4.14Å; F111-M171 HydrophobicContact CD2-CE 4.11Å; F111-M171 HydrophobicContact CD2-CG 4.16Å; F111-M171 HydrophobicContact CD2-SD 4.21Å; F111-M171 HydrophobicContact CE1-CE 3.81Å; F111-M171 HydrophobicContact CE2-CB 4.2Å; F111-M171 HydrophobicContact CE2-CE 3.58Å; F111-M171 HydrophobicContact CE2-CG 4.09Å; F111-M171 HydrophobicContact CE2-SD 3.55Å; F111-M171 VanDerWaalsContact CE2-SD 3.55Å; F111-M171 HydrophobicContact CG-CE 4.46Å; F111-M171 HydrophobicContact CZ-CE 3.41Å; F111-M171 VanDerWaalsContact CZ-CE 3.41Å; F111-M171 HydrophobicContact CZ-SD 3.89Å
112L75.4Confident72.8Confident71 Ų7136.8 Ų36.837%0.37219%0.186SC..Hα-helixtrans-69-38.7-179.5-73.6172.2000111.7V76 T108 G109 Y115 C116V76-L112 HydrophobicContact CG1-CB 4.15Å; V76-L112 HydrophobicContact CG1-CD1 3.59Å; V76-L112 HydrophobicContact CG1-CG 4.46Å; V76-L112 HydrophobicContact CG2-CB 4.27Å; V76-L112 HydrophobicContact CG2-CD1 4.31Å; T108-L112 HydrophobicContact CG2-CD1 4.33Å; T108-L112 PolarHBondContact O-N 3.21Å; T108-L112 VanDerWaalsContact O-N 3.1Å; G109-L112 PolarHBondContact O-N 2.91Å; L112-Y115 WeakPolarHBondContact O-CB 3.36Å; L112-Y115 PolarHBondContact O-N 2.99Å; L112-C116 PolarHBondContact O-N 2.86Å; L112-C116 PolarHBondContact O-SG 2.99Å
113Q74.8Confident73Confident21 Ų2137.4 Ų37.410%0.09819%0.189CC..Hα-helixtrans-58.4-49.7171.9-175.8-165.41.400110.7V69 L73 G109 Y115 C116 L117V69-Q113 HydrophobicContact CG1-CG 4.34Å; V69-Q113 VanDerWaalsContact CG1-NE2 3.27Å; L73-Q113 HydrophobicContact CB-CG 4.3Å; G109-Q113 WeakPolarHBondContact O-CB 3.38Å; G109-Q113 PolarHBondContact O-N 2.92Å; Q113-Y115 VanDerWaalsContact C-N 3.3Å; Q113-Y115 PolarHBondContact O-N 2.64Å; Q113-C116 PolarHBondContact O-N 2.66Å; Q113-L117 HydrophobicContact CG-CD1 3.9Å; Q113-L117 VanDerWaalsContact O-CB 3.28Å; Q113-L117 WeakPolarHBondContact O-CB 3.13Å; Q113-L117 PolarHBondContact O-N 3.24Å
114A73.6Confident73Confident0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-62.1-36177.800000112.3G110 F111 L117 A118 L170 M171 D174G110-A114 WeakPolarHBondContact O-CB 3.46Å; G110-A114 PolarHBondContact O-N 2.69Å; F111-A114 PolarHBondContact O-N 3.24Å; A114-L117 PolarHBondContact O-N 3.36Å; A114-A118 WeakPolarHBondContact O-CB 3.42Å; A114-A118 PolarHBondContact O-N 3.47Å; A114-L170 HydrophobicContact CB-CD2 4.35Å; A114-L170 HydrophobicContact CB-CG 4.11Å; A114-M171 HydrophobicContact CB-CB 4.41Å; A114-M171 HydrophobicContact CB-CG 3.82Å; A114-D174 HydrophobicContact CB-CB 3.99Å
115Y80.3Confident72.7Confident117 Ų11733.3 Ų33.346%0.45917%0.171SC..Hα-helixtrans-62.3-48.1174.7-172.8-111.8000112.2F111 L112 Q113 L117 F164 M171F111-Y115 PolarHBondContact O-N 3.47Å; L112-Y115 WeakPolarHBondContact O-CB 3.36Å; L112-Y115 PolarHBondContact O-N 2.99Å; Q113-Y115 VanDerWaalsContact C-N 3.3Å; Q113-Y115 PolarHBondContact O-N 2.64Å; Y115-L117 VanDerWaalsContact C-N 3.3Å; Y115-L117 PolarHBondContact O-N 2.98Å; Y115-F164 HydrophobicContact CD2-CD1 4.3Å; Y115-F164 AromaticContact CD2-CE1 3.8Å; Y115-F164 HydrophobicContact CD2-CE1 3.8Å; Y115-F164 HydrophobicContact CE1-CE1 4.45Å; Y115-F164 AromaticContact CE2-CD1 3.98Å; Y115-F164 HydrophobicContact CE2-CD1 3.98Å; Y115-F164 AromaticContact CE2-CE1 3.43Å; Y115-F164 HydrophobicContact CE2-CE1 3.43Å; Y115-F164 VanDerWaalsContact CE2-CE1 3.43Å; Y115-F164 HydrophobicContact CE2-CZ 4.09Å; Y115-F164 HydrophobicContact CG-CE1 4.48Å; Y115-F164 AromaticContact CZ-CE1 3.8Å; Y115-M171 HydrophobicContact CD2-CE 3.41Å; Y115-M171 VanDerWaalsContact CD2-CE 3.41Å; Y115-M171 HydrophobicContact CG-CE 3.82Å
116C77.7Confident72.8Confident64 Ų6436.2 Ų36.243%0.43218%0.181SC..Hα-helixtrans-65.5-35.7177.3-69.40000112L112 Q113 F120L112-C116 PolarHBondContact O-N 2.86Å; L112-C116 PolarHBondContact O-SG 2.99Å; Q113-C116 PolarHBondContact O-N 2.66Å; C116-F120 WeakPolarHBondContact O-CD2 3.49Å; C116-F120 WeakPolarHBondContact O-CE2 3.26Å
117L73.8Confident72.7Confident22 Ų2237.4 Ų37.412%0.11519%0.188CC..Hα-helixtrans-78.9-26.3-179.1-90.8172.8000114.8V69 Q113 A114 Y115 F120 D121 L170V69-L117 HydrophobicContact CB-CD2 4.44Å; V69-L117 HydrophobicContact CG1-CD1 3.75Å; V69-L117 HydrophobicContact CG1-CD2 4.43Å; V69-L117 HydrophobicContact CG1-CG 4.33Å; V69-L117 HydrophobicContact CG2-CD1 4.07Å; V69-L117 HydrophobicContact CG2-CD2 3.2Å; V69-L117 HydrophobicContact CG2-CG 3.77Å; Q113-L117 HydrophobicContact CG-CD1 3.9Å; Q113-L117 VanDerWaalsContact O-CB 3.28Å; Q113-L117 WeakPolarHBondContact O-CB 3.13Å; Q113-L117 PolarHBondContact O-N 3.24Å; A114-L117 PolarHBondContact O-N 3.36Å; Y115-L117 VanDerWaalsContact C-N 3.3Å; Y115-L117 PolarHBondContact O-N 2.98Å; L117-F120 HydrophobicContact CD2-CB 4.46Å; L117-F120 WeakPolarHBondContact O-CA 3.34Å; L117-F120 WeakPolarHBondContact O-CB 3.4Å; L117-F120 PolarHBondContact O-N 3.39Å; L117-D121 PolarHBondContact O-N 3.36Å; L117-L170 HydrophobicContact CB-CD2 4.25Å
118A75.4Confident72Confident6 Ų637.8 Ų37.85%0.0519%0.188CC..Hα-helixtrans-47.7-49.7-173.900000114.8A114 F120 L122 F164 A167 L170A114-A118 WeakPolarHBondContact O-CB 3.42Å; A114-A118 PolarHBondContact O-N 3.47Å; A118-F120 VanDerWaalsContact C-N 3.32Å; A118-F120 PolarHBondContact O-N 2.96Å; A118-L122 WeakPolarHBondContact O-CB 3.31Å; A118-L122 PolarHBondContact O-N 3.38Å; A118-L122 VanDerWaalsContact O-N 3.09Å; A118-F164 HydrophobicContact CB-CD1 4.17Å; A118-F164 HydrophobicContact CB-CE1 4.48Å; A118-A167 HydrophobicContact CB-CB 3.48Å; A118-A167 VanDerWaalsContact CB-CB 3.48Å; A118-L170 HydrophobicContact CB-CD2 4.21Å
119P73.6Confident71.3Confident18 Ų1837.6 Ų37.612%0.11719%0.185CC..Hα-helixtrans-67.9-33.8179.126.3-34.6000112.5I123 L163P119-I123 WeakPolarHBondContact O-CD1 3.32Å; P119-I123 VanDerWaalsContact O-CG1 3.28Å; P119-I123 WeakPolarHBondContact O-CG1 3.4Å; P119-I123 PolarHBondContact O-N 3.03Å; P119-L163 HydrophobicContact CB-CD2 3.57Å; P119-L163 HydrophobicContact CB-CG 3.75Å
120F73.3Confident71Confident90 Ų9038.8 Ų38.840%0.39519%0.19SC..Hα-helixtrans-66.8-48.2178-67.3-94000110.7F61 C116 L117 A118 L122 I123 K124F61-F120 HydrophobicContact CE1-CB 3.53Å; F61-F120 AromaticContact CE1-CD1 3.59Å; F61-F120 HydrophobicContact CE1-CD1 3.59Å; F61-F120 HydrophobicContact CE1-CG 4.02Å; F61-F120 VanDerWaalsContact CE1-O 3.25Å; F61-F120 WeakPolarHBondContact CE1-O 3.24Å; F61-F120 HydrophobicContact CE2-CD1 4.03Å; F61-F120 HydrophobicContact CZ-CB 3.9Å; F61-F120 AromaticContact CZ-CD1 3.18Å; F61-F120 HydrophobicContact CZ-CD1 3.18Å; F61-F120 HydrophobicContact CZ-CE1 4.01Å; F61-F120 AromaticContact CZ-CG 3.91Å; F61-F120 HydrophobicContact CZ-CG 3.91Å; C116-F120 WeakPolarHBondContact O-CD2 3.49Å; C116-F120 WeakPolarHBondContact O-CE2 3.26Å; L117-F120 HydrophobicContact CD2-CB 4.46Å; L117-F120 WeakPolarHBondContact O-CA 3.34Å; L117-F120 WeakPolarHBondContact O-CB 3.4Å; L117-F120 PolarHBondContact O-N 3.39Å; A118-F120 VanDerWaalsContact C-N 3.32Å; A118-F120 PolarHBondContact O-N 2.96Å; F120-L122 VanDerWaalsContact C-N 3.31Å; F120-L122 PolarHBondContact O-N 3.45Å; F120-I123 PolarHBondContact O-N 3.03Å; F120-K124 PolarHBondContact O-N 3.39Å
121D71.3Confident70.1Confident38 Ų3841.6 Ų41.620%0.20321%0.207CC..Hα-helixtrans-62.4-38.7178.7-112.421.2000111.9L117 K124 V125 L170 K226L117-D121 PolarHBondContact O-N 3.36Å; D121-K124 PolarHBondContact O-N 2.99Å; D121-V125 VanDerWaalsContact O-CG2 3.32Å; D121-V125 WeakPolarHBondContact O-CG2 3.26Å; D121-V125 PolarHBondContact O-N 3Å; D121-L170 HydrophobicContact CB-CD2 4.28Å; D121-L170 WeakPolarHBondContact OD2-CD1 3.34Å; D121-K226 IonicContact OD2-NZ 3.97Å; D121-K226 PolarHBondContact OD2-NZ 3.15Å
122L70.7Confident68.8Low19 Ų1941.3 Ų41.310%0.09921%0.207CC..Hα-helixtrans-61.8-47.6176.7-179.166.3000112A118 F120 K124 V125 R126 G162 L163A118-L122 WeakPolarHBondContact O-CB 3.31Å; A118-L122 PolarHBondContact O-N 3.38Å; A118-L122 VanDerWaalsContact O-N 3.09Å; F120-L122 VanDerWaalsContact C-N 3.31Å; F120-L122 PolarHBondContact O-N 3.45Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 3.45Å; L122-V125 PolarHBondContact O-N 2.93Å; L122-R126 PolarHBondContact O-N 3.4Å; L122-G162 WeakPolarHBondContact CD2-O 3.19Å; L122-L163 WeakPolarHBondContact CD2-O 3.35Å
123I70.9Confident67.4Low13 Ų1342.7 Ų42.77%0.06722%0.22CC..Hα-helixtrans-60.8-44.7178.5-66.6160.4000110F61 P119 F120 R126 L127 P147 C150 A151 I154F61-I123 HydrophobicContact CZ-CD1 4.4Å; P119-I123 WeakPolarHBondContact O-CD1 3.32Å; P119-I123 VanDerWaalsContact O-CG1 3.28Å; P119-I123 WeakPolarHBondContact O-CG1 3.4Å; P119-I123 PolarHBondContact O-N 3.03Å; F120-I123 PolarHBondContact O-N 3.03Å; I123-R126 PolarHBondContact O-N 2.96Å; I123-L127 HydrophobicContact CG2-CD1 3.82Å; I123-L127 HydrophobicContact CG2-CG 4.44Å; I123-L127 WeakPolarHBondContact O-CG 3.35Å; I123-L127 PolarHBondContact O-N 3.49Å; I123-P147 HydrophobicContact CG2-CB 4.13Å; I123-C150 HydrophobicContact CG2-CB 4.3Å; I123-A151 HydrophobicContact CD1-CB 3.73Å; I123-A151 HydrophobicContact CG1-CB 4.36Å; I123-I154 HydrophobicContact CG1-CD1 4.43Å
124K70.3Confident66Low33 Ų3346.7 Ų46.714%0.14325%0.246CC..Hα-helixtrans-58.1-50.6177.3-176.6-168.4179.6174.20111.5F61 P62 F120 D121 L122 R126 L127 Q128F61-K124 HydrophobicContact CD1-CB 4.48Å; P62-K124 HydrophobicContact CG-CD 3.64Å; P62-K124 HydrophobicContact CG-CG 4.24Å; F120-K124 PolarHBondContact O-N 3.39Å; D121-K124 PolarHBondContact O-N 2.99Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 3.45Å; K124-R126 PolarHBondContact O-N 3.5Å; K124-L127 PolarHBondContact O-N 3Å; K124-Q128 HydrophobicContact CG-CG 4.44Å; K124-Q128 WeakPolarHBondContact O-CB 3.31Å; K124-Q128 VanDerWaalsContact O-CG 3.29Å; K124-Q128 WeakPolarHBondContact O-CG 3.48Å; K124-Q128 PolarHBondContact O-N 2.92Å
125V66.1Low64.6Low37 Ų3750.8 Ų50.822%0.22428%0.279CS..Hα-helixtrans-62.7-41.6-178.4171.10000111.3D121 L122 Q128 N129D121-V125 VanDerWaalsContact O-CG2 3.32Å; D121-V125 WeakPolarHBondContact O-CG2 3.26Å; D121-V125 PolarHBondContact O-N 3Å; L122-V125 PolarHBondContact O-N 2.93Å; V125-Q128 PolarHBondContact O-N 3.27Å; V125-N129 WeakPolarHBondContact O-CB 3.36Å; V125-N129 PolarHBondContact O-N 3.11Å
126R69.1Low62.8Low61 Ų6151.7 Ų51.723%0.2329%0.288CS..Hα-helixtrans-64.7-44.1177.7-72.1-151-175.9-167.75112.8L122 I123 K124 Q128 N129 Q130 Y144 E158L122-R126 PolarHBondContact O-N 3.4Å; I123-R126 PolarHBondContact O-N 2.96Å; K124-R126 PolarHBondContact O-N 3.5Å; R126-Q128 VanDerWaalsContact C-N 3.34Å; R126-Q128 PolarHBondContact O-N 2.88Å; R126-N129 PolarHBondContact O-N 3.07Å; R126-Q130 PolarHBondContact O-N 3.41Å; R126-Y144 HydrophobicContact CB-CE2 4.49Å; R126-E158 IonicContact CZ-OE1 3.48Å; R126-E158 VanDerWaalsContact CZ-OE1 3.29Å; R126-E158 IonicContact NH1-OE1 3.57Å; R126-E158 PolarHBondContact NH1-OE1 3.31Å; R126-E158 IonicContact NH2-OE1 2.68Å; R126-E158 PolarHBondContact NH2-OE1 2.89Å; R126-E158 IonicContact NH2-OE2 2.99Å
127L65.6Low60.9Low25 Ų2555.4 Ų55.413%0.13131%0.311CS..Hα-helixtrans-63.4-39.6175.8-72168.5000112.3I123 K124 Q130 P147 C150I123-L127 HydrophobicContact CG2-CD1 3.82Å; I123-L127 HydrophobicContact CG2-CG 4.44Å; I123-L127 WeakPolarHBondContact O-CG 3.35Å; I123-L127 PolarHBondContact O-N 3.49Å; K124-L127 PolarHBondContact O-N 3Å; L127-Q130 PolarHBondContact O-N 3.34Å; L127-P147 HydrophobicContact CD1-CB 3.9Å; L127-C150 HydrophobicContact CD2-CB 4.18Å; L127-C150 HydrophobicContact CG-CB 4.41Å
128Q58.2Low59.9Low27 Ų2758.4 Ų58.413%0.12635%0.347CS..Hα-helixtrans-71.1-30.3178.9-74.6-175.8-8.800112.9H21 K124 V125 R126 Q130H21-Q128 PolarHBondContact CE1-NE2 3.2Å; H21-Q128 PolarHBondContact NE2-NE2 3.4Å; K124-Q128 HydrophobicContact CG-CG 4.44Å; K124-Q128 WeakPolarHBondContact O-CB 3.31Å; K124-Q128 VanDerWaalsContact O-CG 3.29Å; K124-Q128 WeakPolarHBondContact O-CG 3.48Å; K124-Q128 PolarHBondContact O-N 2.92Å; V125-Q128 PolarHBondContact O-N 3.27Å; R126-Q128 VanDerWaalsContact C-N 3.34Å; R126-Q128 PolarHBondContact O-N 2.88Å; Q128-Q130 VanDerWaalsContact C-N 3.31Å
129N60.7Low58.7Low49 Ų4960.7 Ų60.726%0.26236%0.363SS..Hα-helixtrans-81.8-10.8179.1-156.531.4000113.2V125 R126 T131 L234V125-N129 WeakPolarHBondContact O-CB 3.36Å; V125-N129 PolarHBondContact O-N 3.11Å; R126-N129 PolarHBondContact O-N 3.07Å; N129-T131 VanDerWaalsContact C-N 3.31Å; N129-T131 PolarHBondContact O-N 3.07Å; N129-T131 PolarHBondContact O-OG1 2.86Å; N129-L234 WeakPolarHBondContact ND2-CD1 3.48Å
130Q60.6Low57.8Low25 Ų2564.8 Ų64.812%0.11739%0.389CS..  trans-70.489.3174.5-165.6-179.7-21.700110R126 L127 Q128 E132 Q143 Y144R126-Q130 PolarHBondContact O-N 3.41Å; L127-Q130 PolarHBondContact O-N 3.34Å; Q128-Q130 VanDerWaalsContact C-N 3.31Å; Q130-E132 HydrophobicContact CG-CB 4.39Å; Q130-E132 HydrophobicContact CG-CG 4.22Å; Q130-E132 PolarHBondContact NE2-OE2 3.3Å; Q130-E132 PolarHBondContact O-N 3.4Å; Q130-Q143 VanDerWaalsContact NE2-N 3.16Å; Q130-Y144 PolarHBondContact OE1-O 3.4Å
131T52.3Low57Low60 Ų6065 Ų6537%0.36840%0.4SS..  trans-9041.9176.8-36.90000109.8Q33 N129Q33-T131 PolarHBondContact NE2-OG1 3.46Å; Q33-T131 VanDerWaalsContact NE2-OG1 3.16Å; N129-T131 VanDerWaalsContact C-N 3.31Å; N129-T131 PolarHBondContact O-N 3.07Å; N129-T131 PolarHBondContact O-OG1 2.86Å
132E51.7Low56.4Low71 Ų7166.1 Ų66.133%0.33241%0.409SS..  trans-75.4126.7170.7-76.6177.3151.100108.1Q130 P142 Q143Q130-E132 HydrophobicContact CG-CB 4.39Å; Q130-E132 HydrophobicContact CG-CG 4.22Å; Q130-E132 PolarHBondContact NE2-OE2 3.3Å; Q130-E132 PolarHBondContact O-N 3.4Å; E132-P142 WeakPolarHBondContact OE2-CA 3.32Å; E132-Q143 PolarHBondContact OE2-N 3.49Å
133P44.3Very low56Low100 Ų10071.2 Ų71.265%0.64943%0.433SS*.  trans-57.6143.6179.421.9-29.7000109.5A135P133-A135 PolarHBondContact O-N 3.02Å
134V45.8Very low55.6Low106 Ų10671.9 Ų71.964%0.64243%0.434SS*.SBendtrans-36.3123.9171.4174.80000109Q136V134-Q136 PolarHBondContact O-N 2.9Å
135A43.9Very low55.3Low85 Ų8576.9 Ų76.970%0.70246%0.458SS*.  trans-34.4100.1-178.700000110.9P133P133-A135 PolarHBondContact O-N 3.02Å
136Q42.8Very low55.4Low136 Ų13676 Ų7664%0.63646%0.457SS*.  trans-75.3141.1165.6-70.8-173.48.300106V134 G138 S139V134-Q136 PolarHBondContact O-N 2.9Å; Q136-G138 PolarHBondContact O-N 2.88Å; Q136-S139 PolarHBondContact N-OG 3.45Å; Q136-S139 PolarHBondContact O-N 3.46Å; Q136-S139 PolarHBondContact O-OG 3.36Å; Q136-S139 VanDerWaalsContact O-OG 3.06Å
137P39.1Very low55.2Low143 Ų14375.3 Ų75.393%0.92946%0.46SS*.THydrogen-bonded Turntrans-56.9108174.3-17.729.1000108.9
138G52.8Low55.6Low84 Ų8481.9 Ų81.987%0.86649%0.492SS*.THydrogen-bonded Turntrans108.8-1.8-178.200000117.1Q136Q136-G138 PolarHBondContact O-N 2.88Å
139S49.3Very low56.5Low55 Ų5584.7 Ų84.739%0.38551%0.505SS..SBendtrans-78.3147.4170.958.10000111.8Q136Q136-S139 PolarHBondContact N-OG 3.45Å; Q136-S139 PolarHBondContact O-N 3.46Å; Q136-S139 PolarHBondContact O-OG 3.36Å; Q136-S139 VanDerWaalsContact O-OG 3.06Å
140P54.5Low57Low103 Ų10382.3 Ų82.367%0.66949%0.492SS*.PPolyproline II helixtrans-55.1149.2175.722.6-32.3000111.3
141P56.3Low57.7Low94 Ų9482.3 Ų82.361%0.6150%0.497SS*.PPolyproline II helixtrans-59.6148.3-178.125.4-33.8000110.5Q143P141-Q143 PolarHBondContact O-N 2.91Å
142P60.2Low59Low62 Ų6281.8 Ų81.840%0.40350%0.498SS..PPolyproline II helixtrans-57.2136.4-176.618.9-29.8000111.6E132 Y144 Q145E132-P142 WeakPolarHBondContact OE2-CA 3.32Å; P142-Y144 PolarHBondContact O-N 3.49Å; P142-Q145 HydrophobicContact CG-CG 4.44Å
143Q61.9Low60.3Low127 Ų12779.3 Ų79.359%0.59349%0.489SS*.SBendtrans-52.1-34.2-176.5-171.1166.820.200113Q130 E132 P141Q130-Q143 VanDerWaalsContact NE2-N 3.16Å; E132-Q143 PolarHBondContact OE2-N 3.49Å; P141-Q143 PolarHBondContact O-N 2.91Å
144Y62.3Low61.8Low26 Ų2674.5 Ų74.510%0.10246%0.458CS..  trans-123.7122165.5-51.6-68.5000111.4R126 Q130 P142 G146 C150R126-Y144 HydrophobicContact CB-CE2 4.49Å; Q130-Y144 PolarHBondContact OE1-O 3.4Å; P142-Y144 PolarHBondContact O-N 3.49Å; Y144-G146 VanDerWaalsContact C-N 3.34Å; Y144-C150 HydrophobicContact CD1-CB 3.77Å; Y144-C150 HydrophobicContact CE1-CB 4.39Å; Y144-C150 HydrophobicContact CG-CB 3.93Å
145Q64.3Low63.5Low139 Ų13975.6 Ų75.665%0.6545%0.454SS*.SBendtrans-83-11.2177.9-64-176.6-4.600113.2P142P142-Q145 HydrophobicContact CG-CG 4.44Å
146G67.8Low65.2Low18 Ų1882.1 Ų82.119%0.18646%0.46CS..SBendtrans174.5175.917900000113Y144 M148 H149 C150Y144-G146 VanDerWaalsContact C-N 3.34Å; G146-M148 PolarHBondContact O-N 3.02Å; G146-H149 PolarHBondContact O-N 2.99Å; G146-C150 WeakPolarHBondContact O-CB 3.32Å; G146-C150 PolarHBondContact O-N 2.91Å
147P65.6Low66.9Low47 Ų4782.1 Ų82.131%0.30546%0.46SS..Hα-helixtrans-65.1-39.2-176.522.6-31.1000113.6F61 I123 L127 C150 A151F61-P147 HydrophobicContact CD2-CB 4.14Å; F61-P147 HydrophobicContact CE2-CB 4.42Å; I123-P147 HydrophobicContact CG2-CB 4.13Å; L127-P147 HydrophobicContact CD1-CB 3.9Å; P147-C150 PolarHBondContact O-N 3.41Å; P147-A151 WeakPolarHBondContact O-CB 3.38Å; P147-A151 PolarHBondContact O-N 2.89Å
148M74Confident68.6Low163 Ų16378 Ų7880%0.80343%0.428SS*.Hα-helixtrans-68.7-37.7176-67-58.7-162.900111.9G146 A151 A152G146-M148 PolarHBondContact O-N 3.02Å; M148-A151 PolarHBondContact O-N 3.44Å; M148-A152 VanDerWaalsContact O-CB 3.28Å; M148-A152 WeakPolarHBondContact O-CB 3.48Å; M148-A152 PolarHBondContact O-N 2.99Å
149H76.6Confident69.9Low85 Ų8575.1 Ų75.139%0.39440%0.399SS..Hα-helixtrans-65.8-43.5174.4-171.2-93000110.8G146 A152 S153G146-H149 PolarHBondContact O-N 2.99Å; H149-A152 PolarHBondContact O-N 3.26Å; H149-S153 WeakPolarHBondContact O-CB 3.44Å; H149-S153 PolarHBondContact O-N 3.09Å; H149-S153 PolarHBondContact O-OG 2.89Å
150C70.8Confident71.1Confident0 Ų079.5 Ų79.50%041%0.409CS..Hα-helixtrans-60.1-47.8175.2-169.70000111.9I123 L127 Y144 G146 P147 A152 S153 I154I123-C150 HydrophobicContact CG2-CB 4.3Å; L127-C150 HydrophobicContact CD2-CB 4.18Å; L127-C150 HydrophobicContact CG-CB 4.41Å; Y144-C150 HydrophobicContact CD1-CB 3.77Å; Y144-C150 HydrophobicContact CE1-CB 4.39Å; Y144-C150 HydrophobicContact CG-CB 3.93Å; G146-C150 WeakPolarHBondContact O-CB 3.32Å; G146-C150 PolarHBondContact O-N 2.91Å; P147-C150 PolarHBondContact O-N 3.41Å; C150-A152 PolarHBondContact O-N 3.22Å; C150-S153 PolarHBondContact O-N 2.98Å; C150-I154 WeakPolarHBondContact O-CD1 3.33Å; C150-I154 WeakPolarHBondContact O-CG1 3.07Å; C150-I154 PolarHBondContact O-N 3.25Å
151A75.5Confident71.9Confident25 Ų2583.4 Ų83.421%0.20741%0.41CS..Hα-helixtrans-59.4-46.1176.400000111.9I123 P147 M148 I154 F155I123-A151 HydrophobicContact CD1-CB 3.73Å; I123-A151 HydrophobicContact CG1-CB 4.36Å; P147-A151 WeakPolarHBondContact O-CB 3.38Å; P147-A151 PolarHBondContact O-N 2.89Å; M148-A151 PolarHBondContact O-N 3.44Å; A151-I154 PolarHBondContact O-N 2.84Å; A151-F155 WeakPolarHBondContact O-CB 3.26Å; A151-F155 PolarHBondContact O-N 2.91Å
152A80.7Confident72.5Confident48 Ų4879.1 Ų79.140%0.39738%0.383SS..Hα-helixtrans-65.7-40.617900000112.6M148 H149 C150 F155 R156M148-A152 VanDerWaalsContact O-CB 3.28Å; M148-A152 WeakPolarHBondContact O-CB 3.48Å; M148-A152 PolarHBondContact O-N 2.99Å; H149-A152 PolarHBondContact O-N 3.26Å; C150-A152 PolarHBondContact O-N 3.22Å; A152-F155 PolarHBondContact O-N 2.91Å; A152-R156 WeakPolarHBondContact O-CB 3.29Å; A152-R156 WeakPolarHBondContact O-CG 3.48Å; A152-R156 PolarHBondContact O-N 2.85Å
153S77.9Confident73Confident19 Ų1978 Ų7813%0.13337%0.373CS..Hα-helixtrans-63.2-47.4175-66.70000111.5H149 C150 F155 R156 E157H149-S153 WeakPolarHBondContact O-CB 3.44Å; H149-S153 PolarHBondContact O-N 3.09Å; H149-S153 PolarHBondContact O-OG 2.89Å; C150-S153 PolarHBondContact O-N 2.98Å; S153-F155 VanDerWaalsContact C-N 3.3Å; S153-F155 PolarHBondContact O-N 3.49Å; S153-R156 PolarHBondContact O-N 3.48Å; S153-E157 WeakPolarHBondContact O-CB 3.41Å; S153-E157 WeakPolarHBondContact O-CG 3.25Å; S153-E157 PolarHBondContact O-N 3.37Å
154I75.4Confident73.4Confident0 Ų075.4 Ų75.40%036%0.36CS..Hα-helixtrans-60.8-43177.2-65.2163.4000110.4I123 C150 A151 R156 E157 E158 G159 L163I123-I154 HydrophobicContact CG1-CD1 4.43Å; C150-I154 WeakPolarHBondContact O-CD1 3.33Å; C150-I154 WeakPolarHBondContact O-CG1 3.07Å; C150-I154 PolarHBondContact O-N 3.25Å; A151-I154 PolarHBondContact O-N 2.84Å; I154-R156 VanDerWaalsContact C-N 3.32Å; I154-R156 PolarHBondContact O-N 2.84Å; I154-E157 PolarHBondContact O-N 3.44Å; I154-E158 WeakPolarHBondContact O-CA 3.35Å; I154-E158 PolarHBondContact O-N 3.09Å; I154-G159 PolarHBondContact O-N 3.22Å; I154-L163 HydrophobicContact CB-CD1 4.22Å; I154-L163 HydrophobicContact CG2-CD1 3.81Å
155F81.6Confident73.5Confident128 Ų12880.2 Ų80.256%0.56138%0.378SS*.Hα-helixtrans-64.6-36.9179.3-168.5-96.5000112.3A151 A152 S153 G159A151-F155 WeakPolarHBondContact O-CB 3.26Å; A151-F155 PolarHBondContact O-N 2.91Å; A152-F155 PolarHBondContact O-N 2.91Å; S153-F155 VanDerWaalsContact C-N 3.3Å; S153-F155 PolarHBondContact O-N 3.49Å; F155-G159 WeakPolarHBondContact O-CA 3.14Å; F155-G159 PolarHBondContact O-N 3.43Å
156R80.9Confident73.5Confident223 Ų22375.5 Ų75.584%0.84237%0.366SS*.Hα-helixtrans-74.1-38.5176.6-79-178.8172.9167.2-1.4113.6A152 S153 I154A152-R156 WeakPolarHBondContact O-CB 3.29Å; A152-R156 WeakPolarHBondContact O-CG 3.48Å; A152-R156 PolarHBondContact O-N 2.85Å; S153-R156 PolarHBondContact O-N 3.48Å; I154-R156 VanDerWaalsContact C-N 3.32Å; I154-R156 PolarHBondContact O-N 2.84Å
157E78.7Confident73.5Confident135 Ų13575.1 Ų75.163%0.63136%0.361SS*.Hα-helixtrans-87.5-41.3-174-69.6173.1-168.600113.2S153 I154S153-E157 WeakPolarHBondContact O-CB 3.41Å; S153-E157 WeakPolarHBondContact O-CG 3.25Å; S153-E157 PolarHBondContact O-N 3.37Å; I154-E157 PolarHBondContact O-N 3.44Å
158E73.1Confident73.7Confident56 Ų5680.9 Ų80.926%0.26238%0.377SS..Hα-helixtrans-115.5-5.8-172.4-61.3-174.4-14000113R126 I154 G162 R165R126-E158 IonicContact CZ-OE1 3.48Å; R126-E158 VanDerWaalsContact CZ-OE1 3.29Å; R126-E158 IonicContact NH1-OE1 3.57Å; R126-E158 PolarHBondContact NH1-OE1 3.31Å; R126-E158 IonicContact NH2-OE1 2.68Å; R126-E158 PolarHBondContact NH2-OE1 2.89Å; R126-E158 IonicContact NH2-OE2 2.99Å; I154-E158 WeakPolarHBondContact O-CA 3.35Å; I154-E158 PolarHBondContact O-N 3.09Å; E158-G162 PolarHBondContact O-N 3.49Å; E158-R165 IonicContact OE1-NH1 2.84Å; E158-R165 WeakPolarHBondContact OE2-CD 3.27Å; E158-R165 IonicContact OE2-CZ 2.78Å; E158-R165 IonicContact OE2-NH1 3.25Å; E158-R165 PolarHBondContact OE2-NH1 3.34Å
159G79.9Confident73.2Confident25 Ų2574 Ų7426%0.25835%0.347SS..Hα-helixtrans67.4-167.8-179.600000113.9I154 F155 R161 G162I154-G159 PolarHBondContact O-N 3.22Å; F155-G159 WeakPolarHBondContact O-CA 3.14Å; F155-G159 PolarHBondContact O-N 3.43Å; G159-R161 PolarHBondContact O-N 3.1Å; G159-G162 PolarHBondContact O-N 2.85Å; G159-G162 VanDerWaalsContact O-N 3.1Å
160Y75.4Confident72.9Confident147 Ų14770.1 Ų70.158%0.57633%0.329SS*.Hα-helixtrans-60.7-32.4-179.378-89.3000113.2G162 L163Y160-G162 VanDerWaalsContact C-N 3.33Å; Y160-L163 PolarHBondContact O-N 2.92Å
161R71.3Confident73Confident185 Ų18570.7 Ų70.770%0.69833%0.331SS*.Hα-helixtrans-71.6-29.6178-66.5-173.4174.8179.1-2.9112.3G159 L163 F164 R165G159-R161 PolarHBondContact O-N 3.1Å; R161-L163 VanDerWaalsContact C-N 3.3Å; R161-L163 PolarHBondContact O-N 3.46Å; R161-F164 PolarHBondContact O-N 3.34Å; R161-R165 PolarHBondContact O-N 2.91Å
162G68.4Low72.8Confident4 Ų472.9 Ų72.94%0.04134%0.339CS..Hα-helixtrans-61.7-37.5173.200000112.9L122 E158 G159 Y160 F164 R165L122-G162 WeakPolarHBondContact CD2-O 3.19Å; E158-G162 PolarHBondContact O-N 3.49Å; G159-G162 PolarHBondContact O-N 2.85Å; G159-G162 VanDerWaalsContact O-N 3.1Å; Y160-G162 VanDerWaalsContact C-N 3.33Å; G162-F164 VanDerWaalsContact C-N 3.28Å; G162-F164 PolarHBondContact O-N 3.22Å; G162-R165 WeakPolarHBondContact O-CB 3.49Å; G162-R165 PolarHBondContact O-N 3.47Å; G162-R165 VanDerWaalsContact O-N 3.15Å
163L70.5Confident72.4Confident37 Ų3772.8 Ų72.819%0.19433%0.329CS..Hα-helixtrans-67-27.8-179.3-138.278.8000113.2P119 L122 I154 Y160 R161P119-L163 HydrophobicContact CB-CD2 3.57Å; P119-L163 HydrophobicContact CB-CG 3.75Å; L122-L163 WeakPolarHBondContact CD2-O 3.35Å; I154-L163 HydrophobicContact CB-CD1 4.22Å; I154-L163 HydrophobicContact CG2-CD1 3.81Å; Y160-L163 PolarHBondContact O-N 2.92Å; R161-L163 VanDerWaalsContact C-N 3.3Å; R161-L163 PolarHBondContact O-N 3.46Å
164F71.4Confident72Confident73 Ų7372.7 Ų72.732%0.3233%0.327SS..THydrogen-bonded Turntrans-97.212.6176.7-73.6-88.5000113Y115 A118 R161 G162 G166 A167Y115-F164 HydrophobicContact CD2-CD1 4.3Å; Y115-F164 AromaticContact CD2-CE1 3.8Å; Y115-F164 HydrophobicContact CD2-CE1 3.8Å; Y115-F164 HydrophobicContact CE1-CE1 4.45Å; Y115-F164 AromaticContact CE2-CD1 3.98Å; Y115-F164 HydrophobicContact CE2-CD1 3.98Å; Y115-F164 AromaticContact CE2-CE1 3.43Å; Y115-F164 HydrophobicContact CE2-CE1 3.43Å; Y115-F164 VanDerWaalsContact CE2-CE1 3.43Å; Y115-F164 HydrophobicContact CE2-CZ 4.09Å; Y115-F164 HydrophobicContact CG-CE1 4.48Å; Y115-F164 AromaticContact CZ-CE1 3.8Å; A118-F164 HydrophobicContact CB-CD1 4.17Å; A118-F164 HydrophobicContact CB-CE1 4.48Å; R161-F164 PolarHBondContact O-N 3.34Å; G162-F164 VanDerWaalsContact C-N 3.28Å; G162-F164 PolarHBondContact O-N 3.22Å; F164-G166 PolarHBondContact O-N 2.84Å; F164-G166 VanDerWaalsContact O-N 3.12Å; F164-A167 HydrophobicContact CB-CB 4.08Å; F164-A167 HydrophobicContact CD1-CB 4.01Å; F164-A167 WeakPolarHBondContact O-CB 3.49Å; F164-A167 PolarHBondContact O-N 2.92Å
165R64.2Low71.9Confident128 Ų12874.2 Ų74.248%0.48334%0.336SS..THydrogen-bonded Turntrans-69.5113.1-178.4-164.2170.7-174-179.8-3110.2E158 R161 G162E158-R165 IonicContact OE1-NH1 2.84Å; E158-R165 WeakPolarHBondContact OE2-CD 3.27Å; E158-R165 IonicContact OE2-CZ 2.78Å; E158-R165 IonicContact OE2-NH1 3.25Å; E158-R165 PolarHBondContact OE2-NH1 3.34Å; R161-R165 PolarHBondContact O-N 2.91Å; G162-R165 WeakPolarHBondContact O-CB 3.49Å; G162-R165 PolarHBondContact O-N 3.47Å; G162-R165 VanDerWaalsContact O-N 3.15Å
166G63.3Low71.5Confident39 Ų3970.1 Ų70.140%0.40232%0.322SS..THydrogen-bonded Turntrans92.3-0.1-17300000114.5F164 W168 A169 L170F164-G166 PolarHBondContact O-N 2.84Å; F164-G166 VanDerWaalsContact O-N 3.12Å; G166-W168 PolarHBondContact O-N 3.05Å; G166-A169 PolarHBondContact O-N 3.05Å; G166-A169 VanDerWaalsContact O-N 3.14Å; G166-L170 PolarHBondContact O-N 2.84Å; G166-L170 VanDerWaalsContact O-N 3.1Å
167A69.4Low71Confident10 Ų1060.4 Ų60.48%0.08329%0.288CS..Hα-helixtrans-55.7-39.8173.300000111.7A118 F164 A169 L170 M171A118-A167 HydrophobicContact CB-CB 3.48Å; A118-A167 VanDerWaalsContact CB-CB 3.48Å; F164-A167 HydrophobicContact CB-CB 4.08Å; F164-A167 HydrophobicContact CD1-CB 4.01Å; F164-A167 WeakPolarHBondContact O-CB 3.49Å; F164-A167 PolarHBondContact O-N 2.92Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A167-A169 PolarHBondContact O-N 3.49Å; A167-L170 WeakPolarHBondContact O-CB 3.4Å; A167-L170 PolarHBondContact O-N 3.39Å; A167-L170 VanDerWaalsContact O-N 3.17Å; A167-M171 WeakPolarHBondContact O-CB 3.48Å; A167-M171 VanDerWaalsContact O-CG 3.24Å; A167-M171 WeakPolarHBondContact O-CG 3.39Å; A167-M171 PolarHBondContact O-N 3.05Å
168W69.1Low70.5Confident168 Ų16855 Ų5564%0.63626%0.264SS*.Hα-helixtrans-64.4-37.3178.6-166.4-119.9000113.2F111 G166 L170 M171 L172F111-W168 AromaticContact CE2-CZ3 3.9Å; F111-W168 HydrophobicContact CE2-CZ3 3.9Å; G166-W168 PolarHBondContact O-N 3.05Å; W168-L170 VanDerWaalsContact C-N 3.34Å; W168-M171 HydrophobicContact CE3-CB 4.37Å; W168-M171 HydrophobicContact CE3-SD 3.8Å; W168-M171 HydrophobicContact CZ3-SD 4.13Å; W168-M171 PolarHBondContact O-N 3.47Å; W168-L172 WeakPolarHBondContact O-CB 3.5Å; W168-L172 PolarHBondContact O-N 3.32Å
169A63.9Low70.3Confident20 Ų2052.4 Ų52.417%0.16525%0.252CS..Hα-helixtrans-68.8-36.117500000111.5G166 A167 R173G166-A169 PolarHBondContact O-N 3.05Å; G166-A169 VanDerWaalsContact O-N 3.14Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A167-A169 PolarHBondContact O-N 3.49Å; A169-R173 WeakPolarHBondContact O-CB 3.47Å; A169-R173 PolarHBondContact O-N 3.2Å; A169-R173 VanDerWaalsContact O-N 3.11Å
170L69.4Low70Confident3 Ų353.7 Ų53.72%0.01625%0.252CS..Hα-helixtrans-65.5-47.4173.4-176.968.8000111.3A114 L117 A118 D121 G166 A167 W168 R173 D174A114-L170 HydrophobicContact CB-CD2 4.35Å; A114-L170 HydrophobicContact CB-CG 4.11Å; L117-L170 HydrophobicContact CB-CD2 4.25Å; A118-L170 HydrophobicContact CB-CD2 4.21Å; D121-L170 HydrophobicContact CB-CD2 4.28Å; D121-L170 WeakPolarHBondContact OD2-CD1 3.34Å; G166-L170 PolarHBondContact O-N 2.84Å; G166-L170 VanDerWaalsContact O-N 3.1Å; A167-L170 WeakPolarHBondContact O-CB 3.4Å; A167-L170 PolarHBondContact O-N 3.39Å; A167-L170 VanDerWaalsContact O-N 3.17Å; W168-L170 VanDerWaalsContact C-N 3.34Å; L170-R173 WeakPolarHBondContact O-CB 3.22Å; L170-R173 PolarHBondContact O-N 3.4Å; L170-D174 WeakPolarHBondContact CD1-OD2 3.38Å; L170-D174 WeakPolarHBondContact O-CB 3.35Å; L170-D174 PolarHBondContact O-N 2.87Å
171M74.2Confident69.7Low11 Ų1150.7 Ų50.75%0.05424%0.241CC..Hα-helixtrans-61.8-45.9177.7-71.8168.6145.700112.2F111 A114 Y115 A167 W168 R173 D174 T175F111-M171 HydrophobicContact CD1-CE 4.32Å; F111-M171 HydrophobicContact CD2-CB 4.14Å; F111-M171 HydrophobicContact CD2-CE 4.11Å; F111-M171 HydrophobicContact CD2-CG 4.16Å; F111-M171 HydrophobicContact CD2-SD 4.21Å; F111-M171 HydrophobicContact CE1-CE 3.81Å; F111-M171 HydrophobicContact CE2-CB 4.2Å; F111-M171 HydrophobicContact CE2-CE 3.58Å; F111-M171 HydrophobicContact CE2-CG 4.09Å; F111-M171 HydrophobicContact CE2-SD 3.55Å; F111-M171 VanDerWaalsContact CE2-SD 3.55Å; F111-M171 HydrophobicContact CG-CE 4.46Å; F111-M171 HydrophobicContact CZ-CE 3.41Å; F111-M171 VanDerWaalsContact CZ-CE 3.41Å; F111-M171 HydrophobicContact CZ-SD 3.89Å; A114-M171 HydrophobicContact CB-CB 4.41Å; A114-M171 HydrophobicContact CB-CG 3.82Å; Y115-M171 HydrophobicContact CD2-CE 3.41Å; Y115-M171 VanDerWaalsContact CD2-CE 3.41Å; Y115-M171 HydrophobicContact CG-CE 3.82Å; A167-M171 WeakPolarHBondContact O-CB 3.48Å; A167-M171 VanDerWaalsContact O-CG 3.24Å; A167-M171 WeakPolarHBondContact O-CG 3.39Å; A167-M171 PolarHBondContact O-N 3.05Å; W168-M171 HydrophobicContact CE3-CB 4.37Å; W168-M171 HydrophobicContact CE3-SD 3.8Å; W168-M171 HydrophobicContact CZ3-SD 4.13Å; W168-M171 PolarHBondContact O-N 3.47Å; M171-R173 PolarHBondContact O-N 3.09Å; M171-D174 PolarHBondContact O-N 2.7Å; M171-T175 WeakPolarHBondContact O-CB 3.39Å; M171-T175 PolarHBondContact O-N 2.99Å; M171-T175 PolarHBondContact O-OG1 3.04Å
172L70.5Confident69.6Low72 Ų7243 Ų4338%0.37721%0.212SC..Hα-helixtrans-64-29.3178.4-171.372000111.7W168 P176 V242W168-L172 WeakPolarHBondContact O-CB 3.5Å; W168-L172 PolarHBondContact O-N 3.32Å; L172-P176 WeakPolarHBondContact O-CD 3.44Å; L172-P176 WeakPolarHBondContact O-CG 3.22Å; L172-V242 HydrophobicContact CD2-CG1 3.86Å
173R71.5Confident69.9Low46 Ų4645.7 Ų45.717%0.17423%0.225CC..Hα-helixtrans-75.4-54.8172.1-176.5-16868.1166.37.7112.1A169 L170 M171 P176 T177 L222 D223A169-R173 WeakPolarHBondContact O-CB 3.47Å; A169-R173 PolarHBondContact O-N 3.2Å; A169-R173 VanDerWaalsContact O-N 3.11Å; L170-R173 WeakPolarHBondContact O-CB 3.22Å; L170-R173 PolarHBondContact O-N 3.4Å; M171-R173 PolarHBondContact O-N 3.09Å; R173-P176 VanDerWaalsContact O-CD 3.31Å; R173-P176 WeakPolarHBondContact O-CD 3.46Å; R173-P176 WeakPolarHBondContact O-CG 3.32Å; R173-T177 VanDerWaalsContact O-CB 3.26Å; R173-T177 WeakPolarHBondContact O-CB 3.39Å; R173-T177 PolarHBondContact O-N 2.73Å; R173-T177 PolarHBondContact O-OG1 3.01Å; R173-L222 HydrophobicContact CB-CB 3.94Å; R173-L222 HydrophobicContact CB-CD1 4.48Å; R173-L222 HydrophobicContact CG-CB 3.77Å; R173-D223 WeakPolarHBondContact CD-OD1 3.09Å; R173-D223 IonicContact CZ-OD1 3.51Å; R173-D223 IonicContact NE-OD1 2.7Å; R173-D223 IonicContact NH1-OD1 3.29Å; R173-D223 PolarHBondContact NH1-OD1 3.45Å
174D70Confident69.9Low16 Ų1645.7 Ų45.79%0.08623%0.227CC..Hα-helixtrans-72.6-36.4-167.1-70.22.8000111.5A114 L170 M171 T177 V178A114-D174 HydrophobicContact CB-CB 3.99Å; L170-D174 WeakPolarHBondContact CD1-OD2 3.38Å; L170-D174 WeakPolarHBondContact O-CB 3.35Å; L170-D174 PolarHBondContact O-N 2.87Å; M171-D174 PolarHBondContact O-N 2.7Å; D174-T177 PolarHBondContact O-N 3.38Å; D174-V178 WeakPolarHBondContact O-CB 3.28Å; D174-V178 VanDerWaalsContact O-CG2 3.25Å; D174-V178 WeakPolarHBondContact O-CG2 3.47Å; D174-V178 PolarHBondContact O-N 3.05Å
175T73.6Confident69.7Low32 Ų3245.3 Ų45.320%0.19622%0.224CC..Hα-helixtrans-54.8-58.3179.2-56.70000112.9C107 M171 G179C107-T175 HydrophobicContact CB-CG2 3.74Å; M171-T175 WeakPolarHBondContact O-CB 3.39Å; M171-T175 PolarHBondContact O-N 2.99Å; M171-T175 PolarHBondContact O-OG1 3.04Å; T175-G179 PolarHBondContact O-N 2.9Å; T175-G179 VanDerWaalsContact O-N 3.16Å
176P72.3Confident69.9Low42 Ų4240.9 Ų40.927%0.27321%0.208SC..Hα-helixtrans-69.9-33178.627.7-35.1000112.4L172 R173 G179 I180 L222L172-P176 WeakPolarHBondContact O-CD 3.44Å; L172-P176 WeakPolarHBondContact O-CG 3.22Å; R173-P176 VanDerWaalsContact O-CD 3.31Å; R173-P176 WeakPolarHBondContact O-CD 3.46Å; R173-P176 WeakPolarHBondContact O-CG 3.32Å; P176-G179 PolarHBondContact O-N 3.4Å; P176-I180 WeakPolarHBondContact O-CB 3.28Å; P176-I180 WeakPolarHBondContact O-CD1 3.42Å; P176-I180 WeakPolarHBondContact O-CG1 3.27Å; P176-I180 PolarHBondContact O-N 3.39Å; P176-L222 HydrophobicContact CG-CD1 3.79Å
177T70.1Confident70.1Confident20 Ų2040 Ų4012%0.12320%0.199CC..Hα-helixtrans-63.7-44.5-178.4-60.80000111.6R173 D174 Y181 S215 A219R173-T177 VanDerWaalsContact O-CB 3.26Å; R173-T177 WeakPolarHBondContact O-CB 3.39Å; R173-T177 PolarHBondContact O-N 2.73Å; R173-T177 PolarHBondContact O-OG1 3.01Å; D174-T177 PolarHBondContact O-N 3.38Å; T177-Y181 WeakPolarHBondContact O-CB 3.17Å; T177-Y181 PolarHBondContact O-N 3.05Å; T177-S215 WeakPolarHBondContact CG2-OG 3.24Å; T177-S215 PolarHBondContact O-OG 3.46Å; T177-A219 HydrophobicContact CG2-CB 3.75Å; T177-A219 WeakPolarHBondContact OG1-CB 3.34Å
178V69.4Low70.1Confident22 Ų2241.1 Ų41.113%0.13320%0.203CC..Hα-helixtrans-72.5-40.7177.91770000110.8L73 G106 D174 I180 Y181 F182L73-V178 HydrophobicContact CD1-CG1 4.45Å; G106-V178 VanDerWaalsContact O-CG1 3.29Å; G106-V178 WeakPolarHBondContact O-CG1 3.45Å; D174-V178 WeakPolarHBondContact O-CB 3.28Å; D174-V178 VanDerWaalsContact O-CG2 3.25Å; D174-V178 WeakPolarHBondContact O-CG2 3.47Å; D174-V178 PolarHBondContact O-N 3.05Å; V178-I180 PolarHBondContact O-N 3.48Å; V178-Y181 WeakPolarHBondContact O-CB 3.29Å; V178-Y181 PolarHBondContact O-N 3.37Å; V178-F182 HydrophobicContact CG1-CD2 3.71Å; V178-F182 HydrophobicContact CG1-CE2 3.68Å; V178-F182 WeakPolarHBondContact O-CD2 3.36Å; V178-F182 PolarHBondContact O-N 2.89Å
179G68.8Low69.9Low0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-59.2-46174.800000113T175 P176 F182 I183T175-G179 PolarHBondContact O-N 2.9Å; T175-G179 VanDerWaalsContact O-N 3.16Å; P176-G179 PolarHBondContact O-N 3.4Å; G179-F182 PolarHBondContact O-N 3.2Å; G179-I183 WeakPolarHBondContact O-CG1 3.4Å; G179-I183 PolarHBondContact O-N 3.33Å
180I72.4Confident70.1Confident53 Ų5336.2 Ų36.227%0.27218%0.183SC..Hα-helixtrans-66.3-38.9177.7-69.4165.9000111.2P176 V178 T184 A214 A218P176-I180 WeakPolarHBondContact O-CB 3.28Å; P176-I180 WeakPolarHBondContact O-CD1 3.42Å; P176-I180 WeakPolarHBondContact O-CG1 3.27Å; P176-I180 PolarHBondContact O-N 3.39Å; V178-I180 PolarHBondContact O-N 3.48Å; I180-T184 VanDerWaalsContact O-CB 3.29Å; I180-T184 WeakPolarHBondContact O-CB 3.1Å; I180-T184 PolarHBondContact O-N 2.87Å; I180-T184 PolarHBondContact O-OG1 2.94Å; I180-A214 HydrophobicContact CG2-CB 4.41Å; I180-A218 HydrophobicContact CD1-CB 3.4Å
181Y70.8Confident70.2Confident84 Ų8443.2 Ų43.233%0.32922%0.216SC..Hα-helixtrans-57.4-51.9175.5179.2-95.1000111.3T177 V178 T184 Y185 A211T177-Y181 WeakPolarHBondContact O-CB 3.17Å; T177-Y181 PolarHBondContact O-N 3.05Å; V178-Y181 WeakPolarHBondContact O-CB 3.29Å; V178-Y181 PolarHBondContact O-N 3.37Å; Y181-T184 PolarHBondContact O-N 3.23Å; Y181-Y185 WeakPolarHBondContact O-CB 3.44Å; Y181-Y185 PolarHBondContact O-N 3.45Å; Y181-A211 HydrophobicContact CD2-CB 4.04Å; Y181-A211 HydrophobicContact CE2-CB 4.08Å
182F68.2Low69.8Low23 Ų2350 Ų5010%0.10124%0.242CC..Hα-helixtrans-67.4-42-178.3-83-72.1000113.1Y77 I102 V178 G179 T184 E186Y77-F182 HydrophobicContact CD1-CZ 4.49Å; Y77-F182 HydrophobicContact CD2-CD2 4.4Å; Y77-F182 HydrophobicContact CD2-CE1 4.1Å; Y77-F182 AromaticContact CD2-CE2 3.89Å; Y77-F182 HydrophobicContact CD2-CE2 3.89Å; Y77-F182 AromaticContact CD2-CZ 3.73Å; Y77-F182 HydrophobicContact CD2-CZ 3.73Å; Y77-F182 HydrophobicContact CE1-CE1 4.09Å; Y77-F182 HydrophobicContact CE1-CZ 4.44Å; Y77-F182 AromaticContact CE2-CD1 3.74Å; Y77-F182 HydrophobicContact CE2-CD1 3.74Å; Y77-F182 HydrophobicContact CE2-CD2 4.11Å; Y77-F182 AromaticContact CE2-CE1 3.56Å; Y77-F182 HydrophobicContact CE2-CE1 3.56Å; Y77-F182 AromaticContact CE2-CE2 3.95Å; Y77-F182 HydrophobicContact CE2-CE2 3.95Å; Y77-F182 HydrophobicContact CE2-CG 4.02Å; Y77-F182 AromaticContact CE2-CZ 3.67Å; Y77-F182 HydrophobicContact CE2-CZ 3.67Å; Y77-F182 HydrophobicContact CG-CZ 4.14Å; Y77-F182 AromaticContact CZ-CD1 3.84Å; Y77-F182 AromaticContact CZ-CE1 3.55Å; I102-F182 HydrophobicContact CG2-CB 3.82Å; V178-F182 HydrophobicContact CG1-CD2 3.71Å; V178-F182 HydrophobicContact CG1-CE2 3.68Å; V178-F182 WeakPolarHBondContact O-CD2 3.36Å; V178-F182 PolarHBondContact O-N 2.89Å; G179-F182 PolarHBondContact O-N 3.2Å; F182-T184 VanDerWaalsContact C-N 3.34Å; F182-T184 PolarHBondContact O-N 3.49Å; F182-E186 WeakPolarHBondContact O-CB 2.98Å; F182-E186 PolarHBondContact O-N 3.37Å
183I74.5Confident69.3Low61 Ų6147.9 Ų47.931%0.31323%0.232SC..Hα-helixtrans-57.3-49.6173.7-73.7179.3000110.5F103 G179 E186 G187F103-I183 HydrophobicContact CB-CD1 3.68Å; F103-I183 HydrophobicContact CB-CG1 3.83Å; F103-I183 HydrophobicContact CD2-CD1 3.2Å; F103-I183 HydrophobicContact CD2-CG1 3.82Å; F103-I183 HydrophobicContact CE2-CD1 4Å; F103-I183 HydrophobicContact CG-CD1 3.65Å; F103-I183 HydrophobicContact CG-CG1 4.23Å; G179-I183 WeakPolarHBondContact O-CG1 3.4Å; G179-I183 PolarHBondContact O-N 3.33Å; I183-E186 PolarHBondContact O-N 3.12Å; I183-G187 PolarHBondContact O-N 3.46Å
184T70.4Confident68.7Low37 Ų3749.7 Ų49.723%0.22725%0.25CC..Hα-helixtrans-68.4-42-173.6-51.50000110.6I180 Y181 F182 L188 A211 A214I180-T184 VanDerWaalsContact O-CB 3.29Å; I180-T184 WeakPolarHBondContact O-CB 3.1Å; I180-T184 PolarHBondContact O-N 2.87Å; I180-T184 PolarHBondContact O-OG1 2.94Å; Y181-T184 PolarHBondContact O-N 3.23Å; F182-T184 VanDerWaalsContact C-N 3.34Å; F182-T184 PolarHBondContact O-N 3.49Å; T184-L188 HydrophobicContact CG2-CD1 3.94Å; T184-L188 WeakPolarHBondContact O-CB 3.05Å; T184-L188 VanDerWaalsContact O-CG 3.27Å; T184-L188 WeakPolarHBondContact O-CG 3.41Å; T184-L188 PolarHBondContact O-N 2.89Å; T184-A211 HydrophobicContact CG2-CB 4.12Å; T184-A214 HydrophobicContact CG2-CB 3.96Å
185Y68Low67.7Low65 Ų6558.7 Ų58.726%0.25529%0.291SS..Hα-helixtrans-59.2-48.6176177-99.5000111.3Y181 L188 C189 V204 A207Y181-Y185 WeakPolarHBondContact O-CB 3.44Å; Y181-Y185 PolarHBondContact O-N 3.45Å; Y185-L188 PolarHBondContact O-N 2.88Å; Y185-C189 WeakPolarHBondContact O-CB 3.47Å; Y185-C189 PolarHBondContact O-N 3.2Å; Y185-C189 PolarHBondContact O-SG 3.48Å; Y185-C189 VanDerWaalsContact O-SG 3.36Å; Y185-V204 HydrophobicContact CE2-CG1 4.36Å; Y185-A207 HydrophobicContact CD2-CB 4.22Å; Y185-A207 HydrophobicContact CE2-CB 4.38Å
186E67.4Low66.6Low34 Ų3461.3 Ų61.316%0.15932%0.324CS..Hα-helixtrans-74.7-34.5-176.6-168.2148.5-179.800112.9I102 F182 I183 R190I102-E186 HydrophobicContact CD1-CG 3.99Å; I102-E186 VanDerWaalsContact CD1-OE1 3.29Å; I102-E186 WeakPolarHBondContact CD1-OE1 3.13Å; I102-E186 WeakPolarHBondContact CD1-OE2 3.22Å; I102-E186 WeakPolarHBondContact CG1-OE2 3.42Å; I102-E186 WeakPolarHBondContact CG2-OE2 3.11Å; F182-E186 WeakPolarHBondContact O-CB 2.98Å; F182-E186 PolarHBondContact O-N 3.37Å; I183-E186 PolarHBondContact O-N 3.12Å; E186-R190 WeakPolarHBondContact O-CB 3.21Å; E186-R190 VanDerWaalsContact O-CG 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.39Å; E186-R190 PolarHBondContact O-N 2.98Å; E186-R190 IonicContact OE1-CZ 2.88Å; E186-R190 IonicContact OE1-NE 3.35Å; E186-R190 IonicContact OE1-NH2 3.91Å; E186-R190 PolarHBondContact OE1-NH2 2.84Å
187G68.9Low65.8Low20 Ų2065.9 Ų65.921%0.20634%0.342CS..Hα-helixtrans-59.1-47.4171.300000112.2I183 R190 Q191I183-G187 PolarHBondContact O-N 3.46Å; G187-R190 PolarHBondContact O-N 3.14Å; G187-Q191 WeakPolarHBondContact O-CB 3.4Å; G187-Q191 PolarHBondContact O-N 3.34Å; G187-Q191 VanDerWaalsContact O-N 3.1Å
188L68.7Low65Low34 Ų3472 Ų7218%0.17837%0.374CS..Hα-helixtrans-69.1-44.4178-69.3169.7000111.7T184 Y185 R190 Q191 Y192 A207 F210T184-L188 HydrophobicContact CG2-CD1 3.94Å; T184-L188 WeakPolarHBondContact O-CB 3.05Å; T184-L188 VanDerWaalsContact O-CG 3.27Å; T184-L188 WeakPolarHBondContact O-CG 3.41Å; T184-L188 PolarHBondContact O-N 2.89Å; Y185-L188 PolarHBondContact O-N 2.88Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 2.8Å; L188-Q191 PolarHBondContact O-N 3.37Å; L188-Y192 HydrophobicContact CD2-CD2 4.31Å; L188-Y192 HydrophobicContact CD2-CE2 3.84Å; L188-Y192 VanDerWaalsContact O-CD2 3.28Å; L188-Y192 WeakPolarHBondContact O-CD2 3.48Å; L188-Y192 PolarHBondContact O-N 3.44Å; L188-A207 HydrophobicContact CB-CB 3.75Å; L188-F210 HydrophobicContact CD1-CB 3.42Å; L188-F210 VanDerWaalsContact CD1-CB 3.42Å; L188-F210 HydrophobicContact CD1-CG 4.33Å
189C65.2Low64.5Low17 Ų1773.5 Ų73.512%0.11539%0.385CS..Hα-helixtrans-58.6-39.6176.5-78.40000112.1Y185 T193Y185-C189 WeakPolarHBondContact O-CB 3.47Å; Y185-C189 PolarHBondContact O-N 3.2Å; Y185-C189 PolarHBondContact O-SG 3.48Å; Y185-C189 VanDerWaalsContact O-SG 3.36Å; C189-T193 WeakPolarHBondContact O-CB 3.26Å; C189-T193 PolarHBondContact O-N 2.9Å; C189-T193 VanDerWaalsContact O-N 3.08Å; C189-T193 PolarHBondContact O-OG1 3.39Å
190R68.4Low64.4Low69 Ų6977 Ų7726%0.2641%0.409SS..Hα-helixtrans-71.3-35.1177.6-73.5177.4-171.9-170.83.2113.8P97 Y99 E186 G187 L188P97-R190 VanDerWaalsContact O-CZ 3.28Å; P97-R190 PolarHBondContact O-NH1 2.92Å; P97-R190 PolarHBondContact O-NH2 2.93Å; Y99-R190 WeakPolarHBondContact OH-CD 3.35Å; E186-R190 WeakPolarHBondContact O-CB 3.21Å; E186-R190 VanDerWaalsContact O-CG 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.39Å; E186-R190 PolarHBondContact O-N 2.98Å; E186-R190 IonicContact OE1-CZ 2.88Å; E186-R190 IonicContact OE1-NE 3.35Å; E186-R190 IonicContact OE1-NH2 3.91Å; E186-R190 PolarHBondContact OE1-NH2 2.84Å; G187-R190 PolarHBondContact O-N 3.14Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 2.8Å
191Q71.3Confident63.8Low150 Ų15079.6 Ų79.670%0.70143%0.432SS*.Hα-helixtrans-75.1-30.4-179.1-170.1171.8-0.700112.6G187 L188G187-Q191 WeakPolarHBondContact O-CB 3.4Å; G187-Q191 PolarHBondContact O-N 3.34Å; G187-Q191 VanDerWaalsContact O-N 3.1Å; L188-Q191 PolarHBondContact O-N 3.37Å
192Y65.1Low63.4Low152 Ų15278.6 Ų78.660%0.59644%0.441SS*.Hα-helixtrans-105.20.9-176.2-70-80.7000114.3L188L188-Y192 HydrophobicContact CD2-CD2 4.31Å; L188-Y192 HydrophobicContact CD2-CE2 3.84Å; L188-Y192 VanDerWaalsContact O-CD2 3.28Å; L188-Y192 WeakPolarHBondContact O-CD2 3.48Å; L188-Y192 PolarHBondContact O-N 3.44Å
193T61Low63.3Low28 Ų2879 Ų7917%0.17245%0.445CS..SBendtrans-111.8121.3175.9-49.50000109.9C189 Q197 P199C189-T193 WeakPolarHBondContact O-CB 3.26Å; C189-T193 PolarHBondContact O-N 2.9Å; C189-T193 VanDerWaalsContact O-N 3.08Å; C189-T193 PolarHBondContact O-OG1 3.39Å; T193-Q197 WeakPolarHBondContact CG2-O 3.38Å; T193-P199 HydrophobicContact CG2-CB 4.41Å
194P58.1Low62.9Low84 Ų8478.3 Ų78.355%0.54544%0.444SS..  trans-60.6145.1173.3-17.929.6000111.4G196 Q197P194-G196 PolarHBondContact O-N 3.04Å; P194-G196 VanDerWaalsContact O-N 3.15Å; P194-Q197 PolarHBondContact O-N 2.7Å
195E48.8Very low62.7Low205 Ų20580.1 Ų80.196%0.95845%0.451SS*.THydrogen-bonded Turntrans-52.8120.8178.4-68.8-171.5165.900111.2
196G51.9Low62.7Low87 Ų8780.6 Ų80.690%0.89746%0.461SS*.THydrogen-bonded Turntrans97.20.5174.100000117.2P194P194-G196 PolarHBondContact O-N 3.04Å; P194-G196 VanDerWaalsContact O-N 3.15Å
197Q53.9Low62.7Low139 Ų13979.1 Ų79.165%0.6546%0.455SS*.SBendtrans-110.4148.1173.6-72.4-176.4-2.800112.5T193 P194T193-Q197 WeakPolarHBondContact CG2-O 3.38Å; P194-Q197 PolarHBondContact O-N 2.7Å
198N54.6Low62.5Low149 Ų14979 Ų7980%0.79745%0.454SS*.PPolyproline II helixtrans-66.7141.9169.1-70.9-31.4000109.1S200N198-S200 PolarHBondContact O-N 2.97Å
199P59.2Low62.4Low53 Ų5378.8 Ų78.834%0.34446%0.459SS..PPolyproline II helixtrans-61128.9179.426.5-34.3000109.7T193 V204T193-P199 HydrophobicContact CG2-CB 4.41Å; P199-V204 HydrophobicContact CB-CG2 3.68Å; P199-V204 HydrophobicContact CG-CG2 3.68Å
200S64.8Low62.7Low74 Ų7483.9 Ų83.952%0.51748%0.48SS..PPolyproline II helixtrans-56.6146.1173.8174.90000110N198 A202 T203 V204N198-S200 PolarHBondContact O-N 2.97Å; S200-A202 PolarHBondContact O-N 3.3Å; S200-T203 WeakPolarHBondContact O-CA 3.43Å; S200-T203 WeakPolarHBondContact O-CB 3.42Å; S200-T203 PolarHBondContact O-N 3.3Å; S200-V204 PolarHBondContact O-N 2.84Å
201S60.8Low62.6Low106 Ų10680.6 Ų80.674%0.74147%0.467SS*.Hα-helixtrans-52.4-33178.7-53.40000112.4L205S201-L205 VanDerWaalsContact O-CB 3.26Å; S201-L205 WeakPolarHBondContact O-CB 3.24Å; S201-L205 PolarHBondContact O-N 2.97Å
202A61.8Low62.3Low63 Ų6374.1 Ų74.152%0.52144%0.441SS..Hα-helixtrans-68.2-41.117400000112.8S200 L205 V206S200-A202 PolarHBondContact O-N 3.3Å; A202-L205 PolarHBondContact O-N 3.06Å; A202-V206 WeakPolarHBondContact O-CB 3.09Å; A202-V206 VanDerWaalsContact O-CG2 3.29Å; A202-V206 WeakPolarHBondContact O-CG2 3.47Å; A202-V206 PolarHBondContact O-N 3.42Å
203T66.6Low62.5Low31 Ų3171.3 Ų71.319%0.1944%0.435CS..Hα-helixtrans-65.5-43.8176.6-53.80000111S200 L205 V206 A207S200-T203 WeakPolarHBondContact O-CA 3.43Å; S200-T203 WeakPolarHBondContact O-CB 3.42Å; S200-T203 PolarHBondContact O-N 3.3Å; T203-L205 VanDerWaalsContact C-N 3.29Å; T203-L205 PolarHBondContact O-N 3.33Å; T203-V206 PolarHBondContact O-N 2.84Å; T203-A207 WeakPolarHBondContact O-CB 3.12Å; T203-A207 PolarHBondContact O-N 2.91Å
204V67.3Low62.9Low48 Ų4871.5 Ų71.529%0.29144%0.44SS..Hα-helixtrans-59.7-42.1174.9175.20000111Y185 P199 S200 G208Y185-V204 HydrophobicContact CE2-CG1 4.36Å; P199-V204 HydrophobicContact CB-CG2 3.68Å; P199-V204 HydrophobicContact CG-CG2 3.68Å; S200-V204 PolarHBondContact O-N 2.84Å; V204-G208 PolarHBondContact O-N 2.62Å
205L64.6Low63.4Low74 Ų7468 Ų6839%0.38742%0.418SS..Hα-helixtrans-69.2-44.1-178.7-167.1133.2000112.4S201 A202 T203 G209 F277S201-L205 VanDerWaalsContact O-CB 3.26Å; S201-L205 WeakPolarHBondContact O-CB 3.24Å; S201-L205 PolarHBondContact O-N 2.97Å; A202-L205 PolarHBondContact O-N 3.06Å; T203-L205 VanDerWaalsContact C-N 3.29Å; T203-L205 PolarHBondContact O-N 3.33Å; L205-G209 PolarHBondContact O-N 2.82Å; L205-F277 HydrophobicContact CD1-CD1 3.51Å; L205-F277 HydrophobicContact CD1-CD2 4.11Å; L205-F277 HydrophobicContact CD1-CE1 3.37Å; L205-F277 HydrophobicContact CD1-CE2 3.99Å; L205-F277 HydrophobicContact CD1-CG 3.9Å; L205-F277 HydrophobicContact CD1-CZ 3.63Å; L205-F277 HydrophobicContact CG-CE1 4.04Å; L205-F277 HydrophobicContact CG-CE2 4.13Å; L205-F277 HydrophobicContact CG-CZ 3.81Å
206V69.4Low64.4Low75 Ų7562.8 Ų62.846%0.45539%0.389SS..Hα-helixtrans-66.7-46.5176.11730000110.6A202 T203 G208 G209 F210A202-V206 WeakPolarHBondContact O-CB 3.09Å; A202-V206 VanDerWaalsContact O-CG2 3.29Å; A202-V206 WeakPolarHBondContact O-CG2 3.47Å; A202-V206 PolarHBondContact O-N 3.42Å; T203-V206 PolarHBondContact O-N 2.84Å; V206-G208 PolarHBondContact O-N 2.88Å; V206-G209 PolarHBondContact O-N 3.38Å; V206-F210 HydrophobicContact CG1-CD2 3.74Å; V206-F210 HydrophobicContact CG1-CE2 3.81Å; V206-F210 WeakPolarHBondContact O-CD2 3.28Å; V206-F210 PolarHBondContact O-N 3.21Å
207A66.4Low65.3Low3 Ų361.4 Ų61.43%0.02536%0.363CS..Hα-helixtrans-60.8-44.3177.100000111.7Y185 L188 T203 A211Y185-A207 HydrophobicContact CD2-CB 4.22Å; Y185-A207 HydrophobicContact CE2-CB 4.38Å; L188-A207 HydrophobicContact CB-CB 3.75Å; T203-A207 WeakPolarHBondContact O-CB 3.12Å; T203-A207 PolarHBondContact O-N 2.91Å; A207-A211 WeakPolarHBondContact O-CB 3.28Å; A207-A211 PolarHBondContact O-N 3.11Å
208G65.3Low66.1Low18 Ų1856.1 Ų56.119%0.18634%0.343CS..Hα-helixtrans-62.3-39.8174.200000113V204 V206 G212V204-G208 PolarHBondContact O-N 2.62Å; V206-G208 PolarHBondContact O-N 2.88Å; G208-G212 PolarHBondContact O-N 3.47Å
209G66.1Low66.7Low29 Ų2949.3 Ų49.330%0.29931%0.308SS..Hα-helixtrans-63.6-50.2176.800000113L205 V206 G212 I213L205-G209 PolarHBondContact O-N 2.82Å; V206-G209 PolarHBondContact O-N 3.38Å; G209-G212 PolarHBondContact O-N 2.82Å; G209-I213 WeakPolarHBondContact O-CG1 3.5Å; G209-I213 PolarHBondContact O-N 3.17Å
210F70.7Confident67.2Low124 Ų12446.9 Ų46.954%0.54429%0.292SS..Hα-helixtrans-67.6-40.6177.3-83.7-77.4000112.5L188 V206 G212 I213 A214L188-F210 HydrophobicContact CD1-CB 3.42Å; L188-F210 VanDerWaalsContact CD1-CB 3.42Å; L188-F210 HydrophobicContact CD1-CG 4.33Å; V206-F210 HydrophobicContact CG1-CD2 3.74Å; V206-F210 HydrophobicContact CG1-CE2 3.81Å; V206-F210 WeakPolarHBondContact O-CD2 3.28Å; V206-F210 PolarHBondContact O-N 3.21Å; F210-G212 VanDerWaalsContact C-N 3.29Å; F210-G212 PolarHBondContact O-N 3.32Å; F210-I213 PolarHBondContact O-N 3.1Å; F210-A214 WeakPolarHBondContact O-CB 3.35Å; F210-A214 PolarHBondContact O-N 3.42Å
211A67.5Low67.4Low0 Ų045 Ų450%028%0.278CS..Hα-helixtrans-60.6-40.3173.300000111.8Y181 T184 A207 S215Y181-A211 HydrophobicContact CD2-CB 4.04Å; Y181-A211 HydrophobicContact CE2-CB 4.08Å; T184-A211 HydrophobicContact CG2-CB 4.12Å; A207-A211 WeakPolarHBondContact O-CB 3.28Å; A207-A211 PolarHBondContact O-N 3.11Å; A211-S215 WeakPolarHBondContact O-CB 3.46Å; A211-S215 PolarHBondContact O-N 3.28Å
212G65.4Low67.9Low15 Ų1541.8 Ų41.816%0.15525%0.252CS..Hα-helixtrans-57.3-53.717100000111.4G208 G209 F210 A214 S215 W216G208-G212 PolarHBondContact O-N 3.47Å; G209-G212 PolarHBondContact O-N 2.82Å; F210-G212 VanDerWaalsContact C-N 3.29Å; F210-G212 PolarHBondContact O-N 3.32Å; G212-A214 PolarHBondContact O-N 3.14Å; G212-S215 WeakPolarHBondContact O-CB 3.36Å; G212-S215 PolarHBondContact O-N 2.95Å; G212-W216 PolarHBondContact O-N 3.46Å
213I68.1Low68.3Low92 Ų9239.4 Ų39.447%0.47223%0.231SC..Hα-helixtrans-58.3-47.2179.9-66.4165.7000111.3G209 F210 S215 W216 V217G209-I213 WeakPolarHBondContact O-CG1 3.5Å; G209-I213 PolarHBondContact O-N 3.17Å; F210-I213 PolarHBondContact O-N 3.1Å; I213-S215 VanDerWaalsContact C-N 3.33Å; I213-S215 PolarHBondContact O-N 3.12Å; I213-W216 PolarHBondContact O-N 2.97Å; I213-V217 HydrophobicContact CG2-CG2 4.41Å; I213-V217 VanDerWaalsContact O-CG2 3.31Å; I213-V217 WeakPolarHBondContact O-CG2 3.23Å; I213-V217 PolarHBondContact O-N 3.35Å
214A70.3Confident68.3Low32 Ų3238.7 Ų38.726%0.26423%0.227SC..Hα-helixtrans-60.7-43.2178.300000112I180 T184 F210 G212 V217 A218I180-A214 HydrophobicContact CG2-CB 4.41Å; T184-A214 HydrophobicContact CG2-CB 3.96Å; F210-A214 WeakPolarHBondContact O-CB 3.35Å; F210-A214 PolarHBondContact O-N 3.42Å; G212-A214 PolarHBondContact O-N 3.14Å; A214-V217 PolarHBondContact O-N 3.39Å; A214-A218 PolarHBondContact O-N 3.38Å; A214-A218 VanDerWaalsContact O-N 3.09Å
215S69.1Low68.3Low11 Ų1136.7 Ų36.78%0.07721%0.214CC..Hα-helixtrans-61.5-45.3175.2-174.20000111.6T177 A211 G212 I213 V217 A218 A219T177-S215 WeakPolarHBondContact CG2-OG 3.24Å; T177-S215 PolarHBondContact O-OG 3.46Å; A211-S215 WeakPolarHBondContact O-CB 3.46Å; A211-S215 PolarHBondContact O-N 3.28Å; G212-S215 WeakPolarHBondContact O-CB 3.36Å; G212-S215 PolarHBondContact O-N 2.95Å; I213-S215 VanDerWaalsContact C-N 3.33Å; I213-S215 PolarHBondContact O-N 3.12Å; S215-V217 PolarHBondContact O-N 3.48Å; S215-A218 PolarHBondContact O-N 3.1Å; S215-A219 VanDerWaalsContact O-CB 3.32Å; S215-A219 WeakPolarHBondContact O-CB 3.4Å; S215-A219 PolarHBondContact O-N 3.15Å
216W67.9Low68.5Low95 Ų9534 Ų3436%0.3620%0.199SC..Hα-helixtrans-65.5-37.7177-80.6105.6000112.8G212 I213 A218 A219 T220 N265G212-W216 PolarHBondContact O-N 3.46Å; I213-W216 PolarHBondContact O-N 2.97Å; W216-A218 VanDerWaalsContact C-N 3.32Å; W216-A218 PolarHBondContact O-N 3.24Å; W216-A219 PolarHBondContact O-N 3.26Å; W216-T220 WeakPolarHBondContact O-CB 3.22Å; W216-T220 PolarHBondContact O-N 2.98Å; W216-T220 PolarHBondContact O-OG1 3.22Å; W216-N265 HydrophobicContact CE3-CB 3.98Å; W216-N265 HydrophobicContact CZ3-CB 4.41Å
217V72Confident68.1Low59 Ų5931.4 Ų31.436%0.35818%0.184SC..Hα-helixtrans-62.3-41.7174.7169.60000110.7I213 A214 S215 P221 V262I213-V217 HydrophobicContact CG2-CG2 4.41Å; I213-V217 VanDerWaalsContact O-CG2 3.31Å; I213-V217 WeakPolarHBondContact O-CG2 3.23Å; I213-V217 PolarHBondContact O-N 3.35Å; A214-V217 PolarHBondContact O-N 3.39Å; S215-V217 PolarHBondContact O-N 3.48Å; V217-P221 WeakPolarHBondContact O-CD 3.5Å; V217-V262 HydrophobicContact CG2-CG1 4.37Å
218A69.4Low68.1Low28 Ų2833.8 Ų33.823%0.23119%0.193CC..Hα-helixtrans-71.5-33.5175.800000113.3I180 A214 S215 W216 P221I180-A218 HydrophobicContact CD1-CB 3.4Å; A214-A218 PolarHBondContact O-N 3.38Å; A214-A218 VanDerWaalsContact O-N 3.09Å; S215-A218 PolarHBondContact O-N 3.1Å; W216-A218 VanDerWaalsContact C-N 3.32Å; W216-A218 PolarHBondContact O-N 3.24Å; A218-P221 WeakPolarHBondContact O-CD 3.26Å; A218-P221 VanDerWaalsContact O-CG 3.26Å; A218-P221 WeakPolarHBondContact O-CG 3.48Å
219A68.6Low68Low6 Ų635.5 Ų35.55%0.0520%0.197CC..Hα-helixtrans-75-33.1179.500000113.1T177 S215 W216 L222 D223T177-A219 HydrophobicContact CG2-CB 3.75Å; T177-A219 WeakPolarHBondContact OG1-CB 3.34Å; S215-A219 VanDerWaalsContact O-CB 3.32Å; S215-A219 WeakPolarHBondContact O-CB 3.4Å; S215-A219 PolarHBondContact O-N 3.15Å; W216-A219 PolarHBondContact O-N 3.26Å; A219-L222 PolarHBondContact O-N 2.86Å; A219-L222 VanDerWaalsContact O-N 3.09Å; A219-D223 PolarHBondContact O-N 3.48Å
220T70Confident67.5Low2 Ų237.8 Ų37.81%0.01220%0.199CC..Hα-helixtrans-55.8-44.9-174.4-55.60000114.2W216 L222 D223 V224 F258 V262 N265W216-T220 WeakPolarHBondContact O-CB 3.22Å; W216-T220 PolarHBondContact O-N 2.98Å; W216-T220 PolarHBondContact O-OG1 3.22Å; T220-L222 VanDerWaalsContact C-N 3.3Å; T220-L222 PolarHBondContact O-N 2.68Å; T220-D223 WeakPolarHBondContact O-CB 3.22Å; T220-D223 PolarHBondContact O-N 2.99Å; T220-V224 WeakPolarHBondContact O-CG2 3.3Å; T220-V224 PolarHBondContact O-N 3.22Å; T220-F258 VanDerWaalsContact CG2-O 3.22Å; T220-F258 WeakPolarHBondContact CG2-O 3.03Å; T220-V262 HydrophobicContact CG2-CG2 3.83Å; T220-N265 PolarHBondContact OG1-ND2 3.02Å
221P68Low66.6Low35 Ų3534 Ų3423%0.22718%0.184CC..Hα-helixtrans-58.6-42.2175.317.1-29.9000112.7V217 A218 V224 I225 F258V217-P221 WeakPolarHBondContact O-CD 3.5Å; A218-P221 WeakPolarHBondContact O-CD 3.26Å; A218-P221 VanDerWaalsContact O-CG 3.26Å; A218-P221 WeakPolarHBondContact O-CG 3.48Å; P221-V224 PolarHBondContact O-N 2.97Å; P221-I225 VanDerWaalsContact O-CG1 3.31Å; P221-I225 WeakPolarHBondContact O-CG1 3.47Å; P221-I225 PolarHBondContact O-N 3.47Å; P221-I225 VanDerWaalsContact O-N 3.1Å; P221-F258 HydrophobicContact CB-CB 3.89Å; P221-F258 HydrophobicContact CB-CD1 3.72Å; P221-F258 HydrophobicContact CB-CG 4.04Å
222L71.1Confident65.8Low37 Ų3735 Ų3519%0.19419%0.19CC..Hα-helixtrans-72.7-35.1-177.5-64.9166.6000111.4R173 P176 A219 T220 I225 K226R173-L222 HydrophobicContact CB-CB 3.94Å; R173-L222 HydrophobicContact CB-CD1 4.48Å; R173-L222 HydrophobicContact CG-CB 3.77Å; P176-L222 HydrophobicContact CG-CD1 3.79Å; A219-L222 PolarHBondContact O-N 2.86Å; A219-L222 VanDerWaalsContact O-N 3.09Å; T220-L222 VanDerWaalsContact C-N 3.3Å; T220-L222 PolarHBondContact O-N 2.68Å; L222-I225 PolarHBondContact O-N 2.93Å; L222-K226 VanDerWaalsContact O-CB 3.32Å; L222-K226 WeakPolarHBondContact O-CB 3.45Å; L222-K226 PolarHBondContact O-N 3.06Å
223D69.9Low65Low14 Ų1437.3 Ų37.38%0.07521%0.213CC..Hα-helixtrans-59.3-45.7169.6-95.30.4000111.5K27 R173 A219 T220 K226 S227K27-D223 IonicContact NZ-OD2 2.84Å; K27-D223 PolarHBondContact NZ-OD2 3.44Å; R173-D223 WeakPolarHBondContact CD-OD1 3.09Å; R173-D223 IonicContact CZ-OD1 3.51Å; R173-D223 IonicContact NE-OD1 2.7Å; R173-D223 IonicContact NH1-OD1 3.29Å; R173-D223 PolarHBondContact NH1-OD1 3.45Å; A219-D223 PolarHBondContact O-N 3.48Å; T220-D223 WeakPolarHBondContact O-CB 3.22Å; T220-D223 PolarHBondContact O-N 2.99Å; D223-K226 PolarHBondContact O-N 2.95Å; D223-S227 PolarHBondContact O-N 3.42Å; D223-S227 PolarHBondContact O-OG 3.35Å
224V66.4Low64Low16 Ų1637.9 Ų37.910%0.09722%0.216CC..Hα-helixtrans-63.6-43.3179.2173.10000111T220 P221 S227 R228 V257T220-V224 WeakPolarHBondContact O-CG2 3.3Å; T220-V224 PolarHBondContact O-N 3.22Å; P221-V224 PolarHBondContact O-N 2.97Å; V224-S227 PolarHBondContact O-N 3.46Å; V224-R228 WeakPolarHBondContact O-CG 3.31Å; V224-R228 PolarHBondContact O-N 3.3Å; V224-R228 VanDerWaalsContact O-N 3.1Å; V224-V257 HydrophobicContact CG1-CG1 3.98Å
225I68.5Low62.8Low5 Ų546.2 Ų46.23%0.02624%0.241CC..Hα-helixtrans-64.8-44.3177.5-62.4162.1000110.5P221 L222 S227 R228 M229 V242 C245 M246 F258P221-I225 VanDerWaalsContact O-CG1 3.31Å; P221-I225 WeakPolarHBondContact O-CG1 3.47Å; P221-I225 PolarHBondContact O-N 3.47Å; P221-I225 VanDerWaalsContact O-N 3.1Å; L222-I225 PolarHBondContact O-N 2.93Å; I225-S227 PolarHBondContact O-N 3.3Å; I225-R228 PolarHBondContact O-N 3.34Å; I225-M229 HydrophobicContact CG2-CG 4.32Å; I225-M229 HydrophobicContact CG2-SD 4.11Å; I225-M229 WeakPolarHBondContact O-CG 3.42Å; I225-M229 PolarHBondContact O-N 3.04Å; I225-V242 HydrophobicContact CG2-CG1 3.72Å; I225-C245 HydrophobicContact CG2-CB 4.31Å; I225-M246 HydrophobicContact CD1-CB 3.99Å; I225-M246 HydrophobicContact CD1-CG 3.92Å; I225-M246 HydrophobicContact CD1-SD 4.17Å; I225-F258 HydrophobicContact CD1-CE1 3.91Å; I225-F258 HydrophobicContact CG1-CE1 3.81Å
226K68.4Low61.9Low17 Ų1755.8 Ų55.87%0.07428%0.275CS..Hα-helixtrans-57.5-49.8176.6-179.6-179.2176.1-178.50111D121 L222 D223 R228 M229 Q230D121-K226 IonicContact OD2-NZ 3.97Å; D121-K226 PolarHBondContact OD2-NZ 3.15Å; L222-K226 VanDerWaalsContact O-CB 3.32Å; L222-K226 WeakPolarHBondContact O-CB 3.45Å; L222-K226 PolarHBondContact O-N 3.06Å; D223-K226 PolarHBondContact O-N 2.95Å; K226-R228 VanDerWaalsContact C-N 3.34Å; K226-R228 PolarHBondContact O-N 2.85Å; K226-M229 PolarHBondContact O-N 3.23Å; K226-Q230 VanDerWaalsContact CE-NE2 3.32Å; K226-Q230 HydrophobicContact CG-CG 4.38Å; K226-Q230 WeakPolarHBondContact O-CB 3.1Å; K226-Q230 WeakPolarHBondContact O-CG 3.21Å; K226-Q230 PolarHBondContact O-N 3.1Å
227S62.1Low61.3Low21 Ų2161.2 Ų61.215%0.14730%0.296CS..Hα-helixtrans-60.3-42.3179.5-650000112Q31 D223 V224 I225 M231Q31-S227 PolarHBondContact OE1-OG 3.33Å; D223-S227 PolarHBondContact O-N 3.42Å; D223-S227 PolarHBondContact O-OG 3.35Å; V224-S227 PolarHBondContact O-N 3.46Å; I225-S227 PolarHBondContact O-N 3.3Å; S227-M231 VanDerWaalsContact O-CG 3.28Å; S227-M231 WeakPolarHBondContact O-CG 3.35Å; S227-M231 PolarHBondContact O-N 3.31Å; S227-M231 VanDerWaalsContact O-N 3.16Å
228R65.6Low60.6Low54 Ų5463.1 Ų63.120%0.20431%0.307CS..Hα-helixtrans-64.5-44.8176.5-72-178.9-177.4-135.2-11.8112.5V224 I225 K226 M231 D232 S249 E253 V257V224-R228 WeakPolarHBondContact O-CG 3.31Å; V224-R228 PolarHBondContact O-N 3.3Å; V224-R228 VanDerWaalsContact O-N 3.1Å; I225-R228 PolarHBondContact O-N 3.34Å; K226-R228 VanDerWaalsContact C-N 3.34Å; K226-R228 PolarHBondContact O-N 2.85Å; R228-M231 PolarHBondContact O-N 2.76Å; R228-D232 PolarHBondContact O-N 3.08Å; R228-D232 VanDerWaalsContact O-N 3.11Å; R228-S249 WeakPolarHBondContact CD-OG 3.43Å; R228-S249 PolarHBondContact NH1-OG 3.31Å; R228-E253 IonicContact CZ-OE1 3.49Å; R228-E253 VanDerWaalsContact CZ-OE1 3.25Å; R228-E253 IonicContact CZ-OE2 2.92Å; R228-E253 IonicContact NH1-OE1 3.87Å; R228-E253 PolarHBondContact NH1-OE1 2.84Å; R228-E253 IonicContact NH2-OE1 3.83Å; R228-E253 PolarHBondContact NH2-OE1 3.36Å; R228-E253 IonicContact NH2-OE2 3.78Å; R228-E253 PolarHBondContact NH2-OE2 2.92Å; R228-V257 VanDerWaalsContact NH2-CG1 3.3Å
229M63.7Low60.2Low54 Ų5463.9 Ų63.927%0.26631%0.305SS..Hα-helixtrans-66.8-37.6178.7-72.6-172.876.400113I225 K226 M231 D232 V242 C245I225-M229 HydrophobicContact CG2-CG 4.32Å; I225-M229 HydrophobicContact CG2-SD 4.11Å; I225-M229 WeakPolarHBondContact O-CG 3.42Å; I225-M229 PolarHBondContact O-N 3.04Å; K226-M229 PolarHBondContact O-N 3.23Å; M229-M231 PolarHBondContact O-N 3.48Å; M229-D232 WeakPolarHBondContact O-CB 3.35Å; M229-D232 PolarHBondContact O-N 2.97Å; M229-V242 HydrophobicContact CE-CG2 3.96Å; M229-V242 VanDerWaalsContact SD-CA 3.5Å; M229-V242 HydrophobicContact SD-CB 3.98Å; M229-V242 HydrophobicContact SD-CG1 4.46Å; M229-V242 HydrophobicContact SD-CG2 3.55Å; M229-V242 VanDerWaalsContact SD-CG2 3.55Å; M229-C245 HydrophobicContact CG-CB 4.01Å
230Q54.5Low59.8Low76 Ų7672.8 Ų72.836%0.35535%0.345SS..Hα-helixtrans-66.1-30.7176-74.3-177.2-20.700111.8K226K226-Q230 VanDerWaalsContact CE-NE2 3.32Å; K226-Q230 HydrophobicContact CG-CG 4.38Å; K226-Q230 WeakPolarHBondContact O-CB 3.1Å; K226-Q230 WeakPolarHBondContact O-CG 3.21Å; K226-Q230 PolarHBondContact O-N 3.1Å
231M52.3Low59.6Low45 Ų4573.8 Ų73.822%0.22236%0.356CS..Hα-helixtrans-77.1-28.2176.3-74.9-55.8-5700114.7T32 S227 R228 M229 G233 L234T32-M231 VanDerWaalsContact CA-SD 3.57Å; T32-M231 WeakPolarHBondContact CB-SD 3.38Å; T32-M231 HydrophobicContact CG2-CG 3.78Å; T32-M231 HydrophobicContact CG2-SD 3.33Å; T32-M231 WeakPolarHBondContact CG2-SD 3.16Å; T32-M231 WeakPolarHBondContact O-CE 3.33Å; S227-M231 VanDerWaalsContact O-CG 3.28Å; S227-M231 WeakPolarHBondContact O-CG 3.35Å; S227-M231 PolarHBondContact O-N 3.31Å; S227-M231 VanDerWaalsContact O-N 3.16Å; R228-M231 PolarHBondContact O-N 2.76Å; M229-M231 PolarHBondContact O-N 3.48Å; M231-G233 PolarHBondContact O-N 2.85Å; M231-L234 HydrophobicContact CE-CD1 3.9Å; M231-L234 PolarHBondContact O-N 3.45Å; M231-L234 HydrophobicContact SD-CD1 3.85Å
232D50.1Low59.6Low22 Ų2273.4 Ų73.412%0.11835%0.353CS..Hα-helixtrans-62-27.4179.2-161.447.3000112.8R228 M229 L234 R236 R237 V238 Y239R228-D232 PolarHBondContact O-N 3.08Å; R228-D232 VanDerWaalsContact O-N 3.11Å; M229-D232 WeakPolarHBondContact O-CB 3.35Å; M229-D232 PolarHBondContact O-N 2.97Å; D232-L234 PolarHBondContact O-N 3.38Å; D232-R236 CarbonylContact O-C 3.31Å; D232-R236 VanDerWaalsContact O-C 3.31Å; D232-R237 WeakPolarHBondContact OD2-CA 3.29Å; D232-V238 WeakPolarHBondContact OD1-CA 3.39Å; D232-V238 WeakPolarHBondContact OD1-CB 3.25Å; D232-V238 WeakPolarHBondContact OD1-CG2 3.18Å; D232-V238 PolarHBondContact OD1-N 2.63Å; D232-V238 PolarHBondContact OD2-N 2.91Å; D232-Y239 HydrophobicContact CB-CD2 3.86Å; D232-Y239 HydrophobicContact CB-CE2 4.46Å; D232-Y239 VanDerWaalsContact CG-CD2 3.46Å; D232-Y239 PolarHBondContact OD2-N 3.48Å
233G48.5Very low59.5Low63 Ų6378.1 Ų78.165%0.64938%0.378SS*.THydrogen-bonded Turntrans-65.3-18176.500000115.4M231M231-G233 PolarHBondContact O-N 2.85Å
234L47.9Very low59.7Low103 Ų10380.8 Ų80.854%0.53939%0.392SS..THydrogen-bonded Turntrans-95.6-19.5-169.7-73.4158.1000115N129 M231 D232N129-L234 WeakPolarHBondContact ND2-CD1 3.48Å; M231-L234 HydrophobicContact CE-CD1 3.9Å; M231-L234 PolarHBondContact O-N 3.45Å; M231-L234 HydrophobicContact SD-CD1 3.85Å; D232-L234 PolarHBondContact O-N 3.38Å
235R44.7Very low59.9Low208 Ų20880 Ų8079%0.78539%0.387SS*.THydrogen-bonded Turntrans-123.8-37.2-174.8-76.3-178.5173.1171.1-1.7113.8
236R50.9Low60Low211 Ų21183.6 Ų83.680%0.79641%0.405SS*.  trans174.1144.3173.8-114171169.8169-3.3107D232 V238D232-R236 CarbonylContact O-C 3.31Å; D232-R236 VanDerWaalsContact O-C 3.31Å; R236-V238 PolarHBondContact O-N 3.43Å
237R54.2Low60.3Low209 Ų20989.4 Ų89.479%0.78943%0.434SS*.  trans-65.498.2172.5-69.2-171.8-168-174.24.3109.9D232D232-R237 WeakPolarHBondContact OD2-CA 3.29Å
238V58.4Low60.9Low99 Ų9989.8 Ų89.860%0.644%0.437SS*.  trans-88.9-26.7172.2-174.30000110.6D232 R236D232-V238 WeakPolarHBondContact OD1-CA 3.39Å; D232-V238 WeakPolarHBondContact OD1-CB 3.25Å; D232-V238 WeakPolarHBondContact OD1-CG2 3.18Å; D232-V238 PolarHBondContact OD1-N 2.63Å; D232-V238 PolarHBondContact OD2-N 2.91Å; R236-V238 PolarHBondContact O-N 3.43Å
239Y60.1Low61.2Low45 Ų4587.2 Ų87.218%0.17643%0.427CS..  trans-112.6128.9-177.1-54.6-69.1000112.1D232 C245D232-Y239 HydrophobicContact CB-CD2 3.86Å; D232-Y239 HydrophobicContact CB-CE2 4.46Å; D232-Y239 VanDerWaalsContact CG-CD2 3.46Å; D232-Y239 PolarHBondContact OD2-N 3.48Å; Y239-C245 VanDerWaalsContact CD1-CA 3.47Å; Y239-C245 HydrophobicContact CD1-CB 3.8Å; Y239-C245 HydrophobicContact CD2-CB 4.4Å; Y239-C245 HydrophobicContact CE1-CB 4.32Å; Y239-C245 HydrophobicContact CG-CB 3.84Å
240Q60.2Low61.9Low193 Ų19387.2 Ų87.290%0.90243%0.43SS*.SBendtrans-82.5-14.8176.6-65.8-159.7-9.200113.3D244Q240-D244 PolarHBondContact N-OD2 2.91Å
241G66.8Low62.9Low23 Ų2394.5 Ų94.524%0.23745%0.454CS..SBendtrans-176.8-179.217800000114.2L243 D244 C245G241-L243 VanDerWaalsContact C-N 3.32Å; G241-L243 PolarHBondContact O-N 3.05Å; G241-D244 PolarHBondContact O-N 3.47Å; G241-C245 WeakPolarHBondContact O-CB 3.47Å; G241-C245 PolarHBondContact O-N 3.45Å
242V66.9Low64.1Low26 Ų2698.6 Ų98.616%0.15847%0.473CS..Hα-helixtrans-59.4-43.7179.9-1760000111.3L172 I225 M229 C245 M246L172-V242 HydrophobicContact CD2-CG1 3.86Å; I225-V242 HydrophobicContact CG2-CG1 3.72Å; M229-V242 HydrophobicContact CE-CG2 3.96Å; M229-V242 VanDerWaalsContact SD-CA 3.5Å; M229-V242 HydrophobicContact SD-CB 3.98Å; M229-V242 HydrophobicContact SD-CG1 4.46Å; M229-V242 HydrophobicContact SD-CG2 3.55Å; M229-V242 VanDerWaalsContact SD-CG2 3.55Å; V242-C245 PolarHBondContact O-N 3.42Å; V242-M246 WeakPolarHBondContact O-CB 3.14Å; V242-M246 PolarHBondContact O-N 3.36Å
243L69.9Low65Low137 Ų137101.7 Ų101.772%0.71749%0.486SS*.Hα-helixtrans-68.6-38.5-178.2-65.3175000112.4G241 M246 M247G241-L243 VanDerWaalsContact C-N 3.32Å; G241-L243 PolarHBondContact O-N 3.05Å; L243-M246 PolarHBondContact O-N 2.98Å; L243-M247 WeakPolarHBondContact O-CB 3.15Å; L243-M247 PolarHBondContact O-N 3.16Å
244D74.8Confident66.3Low70 Ų70100 Ų10037%0.37447%0.469SS..Hα-helixtrans-67.6-43.8177.5-173.229.9000111Q240 G241 M246 M247 S248Q240-D244 PolarHBondContact N-OD2 2.91Å; G241-D244 PolarHBondContact O-N 3.47Å; D244-M246 PolarHBondContact O-N 3.07Å; D244-M247 PolarHBondContact O-N 2.97Å; D244-S248 WeakPolarHBondContact O-CB 3.35Å; D244-S248 PolarHBondContact O-N 3.41Å
245C69.5Low67.4Low0 Ų0101 Ų1010%047%0.474CS..Hα-helixtrans-60.2-43.4171.7-177.40000112.2I225 M229 Y239 G241 V242 S249I225-C245 HydrophobicContact CG2-CB 4.31Å; M229-C245 HydrophobicContact CG-CB 4.01Å; Y239-C245 VanDerWaalsContact CD1-CA 3.47Å; Y239-C245 HydrophobicContact CD1-CB 3.8Å; Y239-C245 HydrophobicContact CD2-CB 4.4Å; Y239-C245 HydrophobicContact CE1-CB 4.32Å; Y239-C245 HydrophobicContact CG-CB 3.84Å; G241-C245 WeakPolarHBondContact O-CB 3.47Å; G241-C245 PolarHBondContact O-N 3.45Å; V242-C245 PolarHBondContact O-N 3.42Å; C245-S249 WeakPolarHBondContact O-CB 3.1Å; C245-S249 PolarHBondContact O-N 2.67Å; C245-S249 PolarHBondContact O-OG 2.89Å
246M70.4Confident68.3Low80 Ų8093.4 Ų93.439%0.39446%0.461SS..Hα-helixtrans-63.5-50.4178.6-173.8178.3-17600111.4I225 V242 L243 D244 S249 V250 F258I225-M246 HydrophobicContact CD1-CB 3.99Å; I225-M246 HydrophobicContact CD1-CG 3.92Å; I225-M246 HydrophobicContact CD1-SD 4.17Å; V242-M246 WeakPolarHBondContact O-CB 3.14Å; V242-M246 PolarHBondContact O-N 3.36Å; L243-M246 PolarHBondContact O-N 2.98Å; D244-M246 PolarHBondContact O-N 3.07Å; M246-S249 PolarHBondContact O-N 2.88Å; M246-V250 VanDerWaalsContact O-CG2 3.24Å; M246-V250 WeakPolarHBondContact O-CG2 3.45Å; M246-V250 PolarHBondContact O-N 3.41Å; M246-F258 HydrophobicContact CG-CE1 4.44Å; M246-F258 HydrophobicContact CG-CZ 4.04Å
247M75.9Confident69.1Low139 Ų13983.7 Ų83.769%0.68543%0.425SS*.Hα-helixtrans-66.8-41.2-177.5-163.7178-6800111.7L243 D244 V250 R251L243-M247 WeakPolarHBondContact O-CB 3.15Å; L243-M247 PolarHBondContact O-N 3.16Å; D244-M247 PolarHBondContact O-N 2.97Å; M247-V250 PolarHBondContact O-N 3.44Å; M247-R251 WeakPolarHBondContact O-CB 3.19Å; M247-R251 PolarHBondContact O-N 3.42Å
248S73.8Confident69.6Low29 Ų2974.3 Ų74.320%0.20339%0.39CS..Hα-helixtrans-63.7-42.2174.6-170.40000111.7D244 R251 Q252D244-S248 WeakPolarHBondContact O-CB 3.35Å; D244-S248 PolarHBondContact O-N 3.41Å; S248-R251 PolarHBondContact O-N 2.91Å; S248-Q252 WeakPolarHBondContact O-CB 3.46Å; S248-Q252 VanDerWaalsContact O-CG 3.31Å; S248-Q252 WeakPolarHBondContact O-CG 3.31Å; S248-Q252 PolarHBondContact O-N 3.28Å; S248-Q252 PolarHBondContact OG-NE2 2.82Å
249S71.2Confident70Confident0 Ų075.3 Ų75.30%039%0.386CS..Hα-helixtrans-65.6-41.5177.7-62.10000112.6R228 C245 M246 R251 E253R228-S249 WeakPolarHBondContact CD-OG 3.43Å; R228-S249 PolarHBondContact NH1-OG 3.31Å; C245-S249 WeakPolarHBondContact O-CB 3.1Å; C245-S249 PolarHBondContact O-N 2.67Å; C245-S249 PolarHBondContact O-OG 2.89Å; M246-S249 PolarHBondContact O-N 2.88Å; S249-R251 VanDerWaalsContact C-N 3.33Å; S249-R251 PolarHBondContact O-N 3.39Å; S249-E253 PolarHBondContact O-N 3.39Å; S249-E253 VanDerWaalsContact O-N 3.08Å
250V79.1Confident70Confident54 Ų5482.2 Ų82.233%0.32741%0.412SS..Hα-helixtrans-61.2-43.8173.9174.30000110.5M246 M247 G254 L255 F258M246-V250 VanDerWaalsContact O-CG2 3.24Å; M246-V250 WeakPolarHBondContact O-CG2 3.45Å; M246-V250 PolarHBondContact O-N 3.41Å; M247-V250 PolarHBondContact O-N 3.44Å; V250-G254 WeakPolarHBondContact O-CA 3.38Å; V250-G254 PolarHBondContact O-N 2.9Å; V250-L255 HydrophobicContact CG1-CD2 4.34Å; V250-L255 HydrophobicContact CG2-CD2 4.37Å; V250-F258 HydrophobicContact CG2-CE2 3.52Å; V250-F258 HydrophobicContact CG2-CZ 3.81Å
251R76.3Confident70Confident228 Ų22873.2 Ų73.286%0.8637%0.371SS*.Hα-helixtrans-71.2-33.8-175.6-168.6175.6-179.3-177.50.4113.1M247 S248 S249M247-R251 WeakPolarHBondContact O-CB 3.19Å; M247-R251 PolarHBondContact O-N 3.42Å; S248-R251 PolarHBondContact O-N 2.91Å; S249-R251 VanDerWaalsContact C-N 3.33Å; S249-R251 PolarHBondContact O-N 3.39Å
252Q76.4Confident70Confident132 Ų13273.5 Ų73.562%0.61737%0.368SS*.Hα-helixtrans-87.1-37.7-176.4-69.8179.811.500113.6S248S248-Q252 WeakPolarHBondContact O-CB 3.46Å; S248-Q252 VanDerWaalsContact O-CG 3.31Å; S248-Q252 WeakPolarHBondContact O-CG 3.31Å; S248-Q252 PolarHBondContact O-N 3.28Å; S248-Q252 PolarHBondContact OG-NE2 2.82Å
253E68.4Low69.8Low87 Ų8777.7 Ų77.741%0.40739%0.394SS..Hα-helixtrans-129.5-3.4-168.9-70.8174.6-120.200113.3R228 S249 V257R228-E253 IonicContact CZ-OE1 3.49Å; R228-E253 VanDerWaalsContact CZ-OE1 3.25Å; R228-E253 IonicContact CZ-OE2 2.92Å; R228-E253 IonicContact NH1-OE1 3.87Å; R228-E253 PolarHBondContact NH1-OE1 2.84Å; R228-E253 IonicContact NH2-OE1 3.83Å; R228-E253 PolarHBondContact NH2-OE1 3.36Å; R228-E253 IonicContact NH2-OE2 3.78Å; R228-E253 PolarHBondContact NH2-OE2 2.92Å; S249-E253 PolarHBondContact O-N 3.39Å; S249-E253 VanDerWaalsContact O-N 3.08Å; E253-V257 HydrophobicContact CB-CG2 3.14Å; E253-V257 HydrophobicContact CG-CG2 4.18Å; E253-V257 WeakPolarHBondContact OE2-CG2 3.45Å
254G76.3Confident69.4Low28 Ų2873.1 Ų73.129%0.28937%0.37SS..  trans79.8-178.5177.600000114.9V250 G256 V257V250-G254 WeakPolarHBondContact O-CA 3.38Å; V250-G254 PolarHBondContact O-N 2.9Å; G254-G256 VanDerWaalsContact C-N 3.3Å; G254-G256 PolarHBondContact O-N 3.3Å; G254-V257 WeakPolarHBondContact O-CG2 3.48Å
255L71.4Confident68.9Low122 Ų12270 Ų7064%0.63935%0.353SS*.G310 helixtrans-70-22.5-177.5-67.9172000113.7V250 V257 F258V250-L255 HydrophobicContact CG1-CD2 4.34Å; V250-L255 HydrophobicContact CG2-CD2 4.37Å; L255-V257 PolarHBondContact O-N 2.91Å; L255-V257 VanDerWaalsContact O-N 3.15Å; L255-F258 PolarHBondContact O-N 2.89Å
256G63.3Low68.7Low50 Ų5072.6 Ų72.652%0.51537%0.372SS..G310 helixtrans-64.2-18.3-178.900000114.3G254 F258 F259 R260G254-G256 VanDerWaalsContact C-N 3.3Å; G254-G256 PolarHBondContact O-N 3.3Å; G256-F258 VanDerWaalsContact C-N 3.32Å; G256-F258 PolarHBondContact O-N 2.94Å; G256-F259 PolarHBondContact O-N 3.47Å; G256-R260 PolarHBondContact O-N 3.35Å
257V67.1Low68.4Low6 Ų671.8 Ų71.84%0.03638%0.377CS..G310 helixtrans-62.9-37.6178.2174.80000112.6V224 R228 E253 G254 L255 F259 R260V224-V257 HydrophobicContact CG1-CG1 3.98Å; R228-V257 VanDerWaalsContact NH2-CG1 3.3Å; E253-V257 HydrophobicContact CB-CG2 3.14Å; E253-V257 HydrophobicContact CG-CG2 4.18Å; E253-V257 WeakPolarHBondContact OE2-CG2 3.45Å; G254-V257 WeakPolarHBondContact O-CG2 3.48Å; L255-V257 PolarHBondContact O-N 2.91Å; L255-V257 VanDerWaalsContact O-N 3.15Å; V257-F259 PolarHBondContact O-N 3.47Å; V257-R260 PolarHBondContact O-N 3.04Å
258F65.9Low68Low12 Ų1266.8 Ų66.85%0.05335%0.351CS..G310 helixtrans-71.5-20.5-179.6-61.7-68.4000112.5T220 P221 I225 M246 V250 L255 G256T220-F258 VanDerWaalsContact CG2-O 3.22Å; T220-F258 WeakPolarHBondContact CG2-O 3.03Å; P221-F258 HydrophobicContact CB-CB 3.89Å; P221-F258 HydrophobicContact CB-CD1 3.72Å; P221-F258 HydrophobicContact CB-CG 4.04Å; I225-F258 HydrophobicContact CD1-CE1 3.91Å; I225-F258 HydrophobicContact CG1-CE1 3.81Å; M246-F258 HydrophobicContact CG-CE1 4.44Å; M246-F258 HydrophobicContact CG-CZ 4.04Å; V250-F258 HydrophobicContact CG2-CE2 3.52Å; V250-F258 HydrophobicContact CG2-CZ 3.81Å; L255-F258 PolarHBondContact O-N 2.89Å; G256-F258 VanDerWaalsContact C-N 3.32Å; G256-F258 PolarHBondContact O-N 2.94Å
259F65.6Low67.5Low120 Ų12066.3 Ų66.353%0.52635%0.349SS..THydrogen-bonded Turntrans-97.2-10.9179.7-65.5-80.8000113.5G256 V257 G261 V262G256-F259 PolarHBondContact O-N 3.47Å; V257-F259 PolarHBondContact O-N 3.47Å; F259-G261 PolarHBondContact O-N 3.5Å; F259-V262 HydrophobicContact CD1-CG2 4.06Å; F259-V262 PolarHBondContact O-N 3.27Å
260R61.8Low67.2Low191 Ų19174.3 Ų74.372%0.72138%0.384SS*.THydrogen-bonded Turntrans-59.1-13.8-179.6-113.7178.5171.3167.8-2.1114.4G256 V257G256-R260 PolarHBondContact O-N 3.35Å; V257-R260 PolarHBondContact O-N 3.04Å
261G59.7Low66.7Low4 Ų474.3 Ų74.34%0.04139%0.385CS..THydrogen-bonded Turntrans-100.3-13.3175.900000115.5F259 T263 I264 N265F259-G261 PolarHBondContact O-N 3.5Å; G261-T263 PolarHBondContact O-N 3.35Å; G261-I264 PolarHBondContact O-N 2.68Å; G261-N265 WeakPolarHBondContact O-CB 3.36Å; G261-N265 PolarHBondContact O-N 3.38Å
262V65.3Low66.2Low29 Ų2964.5 Ų64.518%0.17635%0.351CS..Hα-helixtrans-64.3-47-173175.70000110.5V217 T220 F259 I264 N265 S266V217-V262 HydrophobicContact CG2-CG1 4.37Å; T220-V262 HydrophobicContact CG2-CG2 3.83Å; F259-V262 HydrophobicContact CD1-CG2 4.06Å; F259-V262 PolarHBondContact O-N 3.27Å; V262-I264 VanDerWaalsContact C-N 3.29Å; V262-I264 PolarHBondContact O-N 3.02Å; V262-N265 PolarHBondContact O-N 2.93Å; V262-S266 WeakPolarHBondContact O-CB 3.26Å; V262-S266 PolarHBondContact O-N 3.41Å; V262-S266 PolarHBondContact O-OG 3.15Å; V262-S266 VanDerWaalsContact O-OG 3.05Å
263T63.2Low65.7Low113 Ų11361.8 Ų61.869%0.69334%0.34SS*.Hα-helixtrans-60-38.5179.5-45.80000112.5G261 A267G261-T263 PolarHBondContact O-N 3.35Å; T263-A267 VanDerWaalsContact O-CB 3.24Å; T263-A267 WeakPolarHBondContact O-CB 3.21Å; T263-A267 PolarHBondContact O-N 2.67Å
264I62.5Low65.6Low42 Ų4259.7 Ų59.722%0.21534%0.338CS..Hα-helixtrans-70.9-44.1178.4-61.4174.8000110.3I39 G261 V262 A267 R268I39-I264 HydrophobicContact CD1-CD1 3.79Å; I39-I264 HydrophobicContact CD1-CG1 3.93Å; I39-I264 HydrophobicContact CG1-CD1 4.41Å; G261-I264 PolarHBondContact O-N 2.68Å; V262-I264 VanDerWaalsContact C-N 3.29Å; V262-I264 PolarHBondContact O-N 3.02Å; I264-A267 PolarHBondContact O-N 3.3Å; I264-R268 WeakPolarHBondContact O-CB 3.34Å; I264-R268 PolarHBondContact O-N 2.85Å
265N64.8Low65.3Low3 Ų360.5 Ų60.52%0.01634%0.337CS..Hα-helixtrans-62.9-41.6176.4-74.3-18.7000111.2K27 W216 T220 G261 V262 R268 A269K27-N265 PolarHBondContact NZ-OD1 2.98Å; W216-N265 HydrophobicContact CE3-CB 3.98Å; W216-N265 HydrophobicContact CZ3-CB 4.41Å; T220-N265 PolarHBondContact OG1-ND2 3.02Å; G261-N265 WeakPolarHBondContact O-CB 3.36Å; G261-N265 PolarHBondContact O-N 3.38Å; V262-N265 PolarHBondContact O-N 2.93Å; N265-R268 PolarHBondContact O-N 3.49Å; N265-A269 WeakPolarHBondContact O-CB 3.29Å; N265-A269 PolarHBondContact O-N 2.95Å
266S63.5Low65Low56 Ų5656.5 Ų56.539%0.39232%0.318SS..Hα-helixtrans-66.8-43.3176.4-62.20000112.3V262 R268 A269 F270V262-S266 WeakPolarHBondContact O-CB 3.26Å; V262-S266 PolarHBondContact O-N 3.41Å; V262-S266 PolarHBondContact O-OG 3.15Å; V262-S266 VanDerWaalsContact O-OG 3.05Å; S266-R268 VanDerWaalsContact C-N 3.26Å; S266-R268 PolarHBondContact O-N 3.33Å; S266-A269 PolarHBondContact O-N 3.32Å; S266-F270 PolarHBondContact O-N 2.91Å
267A65.6Low65.2Low62 Ų6258.5 Ų58.551%0.51231%0.312SS..Hα-helixtrans-63.2-32.7175.600000112.3T263 I264 P271T263-A267 VanDerWaalsContact O-CB 3.24Å; T263-A267 WeakPolarHBondContact O-CB 3.21Å; T263-A267 PolarHBondContact O-N 2.67Å; I264-A267 PolarHBondContact O-N 3.3Å; A267-P271 WeakPolarHBondContact O-CD 3.37Å
268R66.8Low65.4Low34 Ų3463.7 Ų63.713%0.12834%0.339CS..Hα-helixtrans-73.7-40.8171.8176-163.1166.4179.615.1112.5F23 D24 I264 N265 S266 F270 P271 V272F23-R268 HydrophobicContact CB-CB 4.25Å; F23-R268 HydrophobicContact CB-CG 3.96Å; F23-R268 HydrophobicContact CD2-CG 4.42Å; F23-R268 HydrophobicContact CG-CB 4.34Å; F23-R268 HydrophobicContact CG-CG 4.27Å; D24-R268 VanDerWaalsContact CG-CZ 3.48Å; D24-R268 VanDerWaalsContact CG-NH2 3.28Å; D24-R268 IonicContact OD1-CZ 2.71Å; D24-R268 IonicContact OD1-NE 3.36Å; D24-R268 IonicContact OD1-NH1 2.91Å; D24-R268 PolarHBondContact OD1-NH1 3.45Å; D24-R268 IonicContact OD1-NH2 2.72Å; D24-R268 PolarHBondContact OD1-NH2 2.89Å; D24-R268 IonicContact OD2-CZ 3.14Å; D24-R268 IonicContact OD2-NH1 3.51Å; D24-R268 IonicContact OD2-NH2 3.56Å; D24-R268 PolarHBondContact OD2-NH2 2.83Å; I264-R268 WeakPolarHBondContact O-CB 3.34Å; I264-R268 PolarHBondContact O-N 2.85Å; N265-R268 PolarHBondContact O-N 3.49Å; S266-R268 VanDerWaalsContact C-N 3.26Å; S266-R268 PolarHBondContact O-N 3.33Å; R268-F270 PolarHBondContact O-N 3.41Å; R268-P271 VanDerWaalsContact O-CD 3.31Å; R268-P271 WeakPolarHBondContact O-CD 3.39Å; R268-V272 HydrophobicContact CG-CG2 3.98Å; R268-V272 WeakPolarHBondContact O-CB 3.18Å; R268-V272 VanDerWaalsContact O-CG2 3.28Å; R268-V272 WeakPolarHBondContact O-CG2 3.14Å; R268-V272 PolarHBondContact O-N 2.87Å
269A63.3Low65.6Low20 Ų2064 Ų6417%0.16534%0.343CS..Hα-helixtrans-60.4-35.5-174.100000111.4N265 S266 N273N265-A269 WeakPolarHBondContact O-CB 3.29Å; N265-A269 PolarHBondContact O-N 2.95Å; S266-A269 PolarHBondContact O-N 3.32Å; A269-N273 WeakPolarHBondContact O-CB 3.25Å; A269-N273 PolarHBondContact O-N 3.1Å; A269-N273 PolarHBondContact O-ND2 2.92Å
270F65.6Low65.8Low168 Ų16862.2 Ų62.274%0.73733%0.333SS*.Hα-helixtrans-65.8-54.1-176.7-164.6-84.9000113.4S266 R268 V272 A274S266-F270 PolarHBondContact O-N 2.91Å; R268-F270 PolarHBondContact O-N 3.41Å; F270-V272 PolarHBondContact O-N 2.96Å; F270-A274 VanDerWaalsContact O-CB 3.27Å; F270-A274 WeakPolarHBondContact O-CB 3.36Å; F270-A274 PolarHBondContact O-N 3.26Å
271P68.6Low66.1Low54 Ų5457.5 Ų57.535%0.35132%0.319SS..Hα-helixtrans-61.1-42.2173.9-2229.8000113.9A267 R268 A274 V275A267-P271 WeakPolarHBondContact O-CD 3.37Å; R268-P271 VanDerWaalsContact O-CD 3.31Å; R268-P271 WeakPolarHBondContact O-CD 3.39Å; P271-A274 PolarHBondContact O-N 2.87Å; P271-V275 PolarHBondContact O-N 2.72Å; P271-V275 VanDerWaalsContact O-N 3.1Å
272V65.1Low66.8Low22 Ų2265.1 Ų65.113%0.13335%0.348CS..Hα-helixtrans-65.3-46.9-176.7172.40000110.4G20 R268 F270 T276G20-V272 VanDerWaalsContact CA-CG2 3.47Å; R268-V272 HydrophobicContact CG-CG2 3.98Å; R268-V272 WeakPolarHBondContact O-CB 3.18Å; R268-V272 VanDerWaalsContact O-CG2 3.28Å; R268-V272 WeakPolarHBondContact O-CG2 3.14Å; R268-V272 PolarHBondContact O-N 2.87Å; F270-V272 PolarHBondContact O-N 2.96Å; V272-T276 WeakPolarHBondContact O-CB 3.19Å; V272-T276 PolarHBondContact O-N 3.44Å; V272-T276 PolarHBondContact O-OG1 3Å
273N65.3Low67.2Low74 Ų7465.1 Ų65.140%0.39635%0.347SS..Hα-helixtrans-66.5-43.7178.4-68.1-16.4000111.2A269 V275 T276 F277A269-N273 WeakPolarHBondContact O-CB 3.25Å; A269-N273 PolarHBondContact O-N 3.1Å; A269-N273 PolarHBondContact O-ND2 2.92Å; N273-V275 VanDerWaalsContact C-N 3.34Å; N273-V275 PolarHBondContact O-N 2.76Å; N273-T276 PolarHBondContact O-N 3.34Å; N273-F277 HydrophobicContact CB-CD2 4.44Å; N273-F277 WeakPolarHBondContact O-CD2 3.43Å; N273-F277 PolarHBondContact O-N 3.44Å
274A66.5Low67.5Low43 Ų4362.9 Ų62.936%0.35533%0.33SS..Hα-helixtrans-55.8-47.1178.700000112.1F270 P271 L278F270-A274 VanDerWaalsContact O-CB 3.27Å; F270-A274 WeakPolarHBondContact O-CB 3.36Å; F270-A274 PolarHBondContact O-N 3.26Å; P271-A274 PolarHBondContact O-N 2.87Å; A274-L278 WeakPolarHBondContact O-CB 3.41Å; A274-L278 VanDerWaalsContact O-CG 3.25Å; A274-L278 WeakPolarHBondContact O-CG 3.47Å; A274-L278 PolarHBondContact O-N 2.95Å
275V70.4Confident68Low46 Ų4670 Ų7028%0.27935%0.354SS..Hα-helixtrans-74.8-34.7-180177.30000112.3L19 P271 N273 F277 L278 S279L19-V275 HydrophobicContact CD1-CB 3.45Å; L19-V275 VanDerWaalsContact CD1-CB 3.45Å; L19-V275 HydrophobicContact CD1-CG1 3.4Å; L19-V275 VanDerWaalsContact CD1-CG1 3.4Å; L19-V275 HydrophobicContact CD1-CG2 3.42Å; L19-V275 VanDerWaalsContact CD1-CG2 3.42Å; P271-V275 PolarHBondContact O-N 2.72Å; P271-V275 VanDerWaalsContact O-N 3.1Å; N273-V275 VanDerWaalsContact C-N 3.34Å; N273-V275 PolarHBondContact O-N 2.76Å; V275-F277 VanDerWaalsContact C-N 3.33Å; V275-F277 PolarHBondContact O-N 3.35Å; V275-L278 PolarHBondContact O-N 3.5Å; V275-S279 WeakPolarHBondContact O-CB 3.49Å; V275-S279 PolarHBondContact O-N 2.89Å; V275-S279 PolarHBondContact O-OG 3.47Å
276T65.3Low68.3Low38 Ų3878.4 Ų78.423%0.23339%0.386CS..Hα-helixtrans-61.4-45.9176.6-55.20000110.3V272 N273 Y280V272-T276 WeakPolarHBondContact O-CB 3.19Å; V272-T276 PolarHBondContact O-N 3.44Å; V272-T276 PolarHBondContact O-OG1 3Å; N273-T276 PolarHBondContact O-N 3.34Å; T276-Y280 VanDerWaalsContact O-CB 3.31Å; T276-Y280 WeakPolarHBondContact O-CB 3.31Å; T276-Y280 PolarHBondContact O-N 2.88Å
277F66.9Low68.5Low91 Ų9180.4 Ų80.440%0.39939%0.385SS..Hα-helixtrans-66.4-48.2176.9-82.6-66000112.7L205 N273 V275 S279 Y280 E281L205-F277 HydrophobicContact CD1-CD1 3.51Å; L205-F277 HydrophobicContact CD1-CD2 4.11Å; L205-F277 HydrophobicContact CD1-CE1 3.37Å; L205-F277 HydrophobicContact CD1-CE2 3.99Å; L205-F277 HydrophobicContact CD1-CG 3.9Å; L205-F277 HydrophobicContact CD1-CZ 3.63Å; L205-F277 HydrophobicContact CG-CE1 4.04Å; L205-F277 HydrophobicContact CG-CE2 4.13Å; L205-F277 HydrophobicContact CG-CZ 3.81Å; N273-F277 HydrophobicContact CB-CD2 4.44Å; N273-F277 WeakPolarHBondContact O-CD2 3.43Å; N273-F277 PolarHBondContact O-N 3.44Å; V275-F277 VanDerWaalsContact C-N 3.33Å; V275-F277 PolarHBondContact O-N 3.35Å; F277-S279 VanDerWaalsContact C-N 3.28Å; F277-S279 PolarHBondContact O-N 2.98Å; F277-Y280 PolarHBondContact O-N 3.01Å; F277-E281 PolarHBondContact O-N 3.34Å
278L71.4Confident67.8Low115 Ų11583.1 Ų83.160%0.60242%0.42SS*.Hα-helixtrans-60-40.5178.3-76.2169.1000111.9A274 V275 Y282A274-L278 WeakPolarHBondContact O-CB 3.41Å; A274-L278 VanDerWaalsContact O-CG 3.25Å; A274-L278 WeakPolarHBondContact O-CG 3.47Å; A274-L278 PolarHBondContact O-N 2.95Å; V275-L278 PolarHBondContact O-N 3.5Å; L278-Y282 WeakPolarHBondContact O-CB 3.25Å; L278-Y282 PolarHBondContact O-N 3.46Å
279S70.4Confident67.8Low19 Ų1985.6 Ų85.613%0.13343%0.434CS..Hα-helixtrans-68.1-41.6178.6-54.90000111.4L15 V275 F277 Y282 L283L15-S279 WeakPolarHBondContact CD1-OG 3.44Å; V275-S279 WeakPolarHBondContact O-CB 3.49Å; V275-S279 PolarHBondContact O-N 2.89Å; V275-S279 PolarHBondContact O-OG 3.47Å; F277-S279 VanDerWaalsContact C-N 3.28Å; F277-S279 PolarHBondContact O-N 2.98Å; S279-Y282 PolarHBondContact O-N 2.8Å; S279-L283 WeakPolarHBondContact O-CB 3.47Å; S279-L283 WeakPolarHBondContact O-CD1 3.22Å; S279-L283 VanDerWaalsContact O-CG 3.23Å; S279-L283 WeakPolarHBondContact O-CG 3.24Å; S279-L283 PolarHBondContact O-N 2.94Å
280Y69Low68.1Low82 Ų8289.1 Ų89.132%0.32245%0.448SS..Hα-helixtrans-64.4-48.3177.9-177.1-105.7000111.8A8 T276 F277 Y282 L283 L284A8-Y280 HydrophobicContact CB-CD2 4.24Å; A8-Y280 HydrophobicContact CB-CE2 4.29Å; T276-Y280 VanDerWaalsContact O-CB 3.31Å; T276-Y280 WeakPolarHBondContact O-CB 3.31Å; T276-Y280 PolarHBondContact O-N 2.88Å; F277-Y280 PolarHBondContact O-N 3.01Å; Y280-Y282 VanDerWaalsContact C-N 3.35Å; Y280-Y282 PolarHBondContact O-N 3.02Å; Y280-L283 PolarHBondContact O-N 3.31Å; Y280-L284 HydrophobicContact CD1-CD1 3.63Å; Y280-L284 HydrophobicContact CD2-CD1 4.25Å; Y280-L284 HydrophobicContact CE1-CD1 3.17Å; Y280-L284 HydrophobicContact CE2-CD1 3.85Å; Y280-L284 HydrophobicContact CG-CD1 4.15Å; Y280-L284 WeakPolarHBondContact O-CB 3.24Å; Y280-L284 PolarHBondContact O-N 2.8Å
281E69.7Low68.2Low92 Ų9284.7 Ų84.743%0.4343%0.432SS..Hα-helixtrans-62.4-40.8176.8-76.6-167.9173.300112.3F277 R285F277-E281 PolarHBondContact O-N 3.34Å; E281-R285 WeakPolarHBondContact O-CB 3.38Å; E281-R285 VanDerWaalsContact O-CG 3.3Å; E281-R285 WeakPolarHBondContact O-CG 3.13Å; E281-R285 PolarHBondContact O-N 3.01Å; E281-R285 IonicContact OE2-NH2 3.95Å
282Y74.4Confident68.2Low165 Ų16586.5 Ų86.565%0.64744%0.437SS*.Hα-helixtrans-66.3-42.3179.4-169.9-93.8000112L278 S279 Y280 R285 W286L278-Y282 WeakPolarHBondContact O-CB 3.25Å; L278-Y282 PolarHBondContact O-N 3.46Å; S279-Y282 PolarHBondContact O-N 2.8Å; Y280-Y282 VanDerWaalsContact C-N 3.35Å; Y280-Y282 PolarHBondContact O-N 3.02Å; Y282-R285 PolarHBondContact O-N 2.95Å; Y282-W286 WeakPolarHBondContact O-CB 3.47Å; Y282-W286 PolarHBondContact O-N 2.65Å; Y282-W286 VanDerWaalsContact O-N 3.07Å
283L71.9Confident68.4Low28 Ų2890.5 Ų90.515%0.14746%0.456CS..Hα-helixtrans-66.3-39.5177.7-73.9166.5000112.3A8 I11 S279 Y280 W286 W287A8-L283 HydrophobicContact CB-CB 4.05Å; A8-L283 HydrophobicContact CB-CD1 4.4Å; I11-L283 HydrophobicContact CB-CD1 3.81Å; I11-L283 HydrophobicContact CD1-CD1 4.44Å; I11-L283 HydrophobicContact CG2-CD1 3.68Å; S279-L283 WeakPolarHBondContact O-CB 3.47Å; S279-L283 WeakPolarHBondContact O-CD1 3.22Å; S279-L283 VanDerWaalsContact O-CG 3.23Å; S279-L283 WeakPolarHBondContact O-CG 3.24Å; S279-L283 PolarHBondContact O-N 2.94Å; Y280-L283 PolarHBondContact O-N 3.31Å; L283-W286 PolarHBondContact O-N 3.04Å; L283-W287 HydrophobicContact CB-CE3 4.46Å; L283-W287 HydrophobicContact CB-CZ3 4.4Å; L283-W287 HydrophobicContact CD2-CH2 4.42Å; L283-W287 HydrophobicContact CD2-CZ3 4.35Å; L283-W287 PolarHBondContact O-N 3.04Å; L283-W287 VanDerWaalsContact O-N 3.14Å
284L71.1Confident68.6Low66 Ų6691.6 Ų91.635%0.34646%0.46SS..Hα-helixtrans-65.8-40.8174.9-89.6156.8000112.6Y280 W286 W287 G288Y280-L284 HydrophobicContact CD1-CD1 3.63Å; Y280-L284 HydrophobicContact CD2-CD1 4.25Å; Y280-L284 HydrophobicContact CE1-CD1 3.17Å; Y280-L284 HydrophobicContact CE2-CD1 3.85Å; Y280-L284 HydrophobicContact CG-CD1 4.15Å; Y280-L284 WeakPolarHBondContact O-CB 3.24Å; Y280-L284 PolarHBondContact O-N 2.8Å; L284-W286 PolarHBondContact O-N 2.94Å; L284-W287 PolarHBondContact O-N 2.74Å; L284-G288 PolarHBondContact O-N 3.3Å
285R72.8Confident68.7Low191 Ų19195.1 Ų95.172%0.72147%0.468SS*.Hα-helixtrans-68.8-23.1176.1-74.6-179.4-171.4-178.48.5113.6E281 Y282E281-R285 WeakPolarHBondContact O-CB 3.38Å; E281-R285 VanDerWaalsContact O-CG 3.3Å; E281-R285 WeakPolarHBondContact O-CG 3.13Å; E281-R285 PolarHBondContact O-N 3.01Å; E281-R285 IonicContact OE2-NH2 3.95Å; Y282-R285 PolarHBondContact O-N 2.95Å
286W71.6Confident68.6Low180 Ų18098.8 Ų98.868%0.68248%0.482SS*.Hα-helixtrans-87.3-25.9179.6-165.473.1000112.8Y282 L283 L284Y282-W286 WeakPolarHBondContact O-CB 3.47Å; Y282-W286 PolarHBondContact O-N 2.65Å; Y282-W286 VanDerWaalsContact O-N 3.07Å; L283-W286 PolarHBondContact O-N 3.04Å; L284-W286 PolarHBondContact O-N 2.94Å
287W66.3Low68.9Low98 Ų98103.9 Ų103.937%0.37150%0.503SS..Hα-helixtrans-100-14.5178-80.5-36.4000115.4E4 V7 A8 I11 L283 L284E4-W287 HydrophobicContact CB-CE3 4.4Å; V7-W287 HydrophobicContact CB-CH2 4.27Å; V7-W287 HydrophobicContact CB-CZ3 4.38Å; V7-W287 HydrophobicContact CG1-CH2 3.6Å; V7-W287 HydrophobicContact CG1-CZ3 4.13Å; A8-W287 HydrophobicContact CB-CE3 4.41Å; A8-W287 HydrophobicContact CB-CZ3 4.01Å; I11-W287 HydrophobicContact CD1-CH2 4.13Å; L283-W287 HydrophobicContact CB-CE3 4.46Å; L283-W287 HydrophobicContact CB-CZ3 4.4Å; L283-W287 HydrophobicContact CD2-CH2 4.42Å; L283-W287 HydrophobicContact CD2-CZ3 4.35Å; L283-W287 PolarHBondContact O-N 3.04Å; L283-W287 VanDerWaalsContact O-N 3.14Å; L284-W287 PolarHBondContact O-N 2.74Å
288G50.9Low69Low120 Ų120105.1 Ų105.1100%1.23751%0.512SS*.  trans-88.10171.500000112.6L284L284-G288 PolarHBondContact O-N 3.3Å

Retrieved 288 of 288 residues in 80.8 ms (Link to these results)