A0A093I8P2_STRCA Loading...

Ankyrin repeat domain-containing protein 34B

AlphaFold DB , UniProt , Accession A0A093I8P2, Species STRCA (Struthio camelus australis), Gene n/a, Length 518 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
1M31.5Very low50.2Low242 Ų242105.6 Ų105.6100%1.19259%0.589SS**  0125.40-68.7155.2175.900107.1E3M1-E3 PolarHBondContact O-N 2.77Å
2T33.8Very low53.2Low134 Ų134100 Ų10082%0.82256%0.557SS**  trans-86.1103.3171.1450000108.1T4T2-T4 PolarHBondContact O-N 2.92Å
3E35.5Very low56.1Low176 Ų17697.8 Ų97.882%0.82255%0.552SS**  trans-63103.7167.6-71.9-174.7124.500108.6M1 V5M1-E3 PolarHBondContact O-N 2.77Å; E3-V5 HydrophobicContact CB-CG2 4.25Å; E3-V5 PolarHBondContact O-N 3.25Å
4T43.9Very low58.7Low108 Ų10890.9 Ų90.966%0.66351%0.513SS*.  trans-67.188.2159.9450000106.5T2 E6T2-T4 PolarHBondContact O-N 2.92Å; T4-E6 PolarHBondContact O-N 3.11Å
5V54.3Low60.9Low65 Ų6584.8 Ų84.839%0.39448%0.479SS..  trans-65.489.1177.9-174.50000108E3 L7 Y19E3-V5 HydrophobicContact CB-CG2 4.25Å; E3-V5 PolarHBondContact O-N 3.25Å; V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 HydrophobicContact CG1-CD2 3.76Å; V5-L7 PolarHBondContact O-N 3.46Å; V5-Y19 PolarHBondContact O-OH 3.17Å; V5-Y19 VanDerWaalsContact O-OH 3.08Å
6E55.4Low62.8Low168 Ų16886.6 Ų86.679%0.78548%0.476SS*.  trans-63.395.4174.1-65.9-165.3147.600108.1T4 P8T4-E6 PolarHBondContact O-N 3.11Å; E6-P8 VanDerWaalsContact O-CD 3.24Å; E6-P8 WeakPolarHBondContact O-CD 3.38Å
7L58.8Low64.5Low13 Ų1381.6 Ų81.67%0.06845%0.448CS..  trans-67.2116.5170.4-49.9-177000106.2V5 T9 Y19 I49V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 HydrophobicContact CG1-CD2 3.76Å; V5-L7 PolarHBondContact O-N 3.46Å; L7-T9 HydrophobicContact CB-CG2 3.7Å; L7-T9 WeakPolarHBondContact O-CG2 3.41Å; L7-T9 PolarHBondContact O-N 2.93Å; L7-T9 PolarHBondContact O-OG1 3.37Å; L7-T9 VanDerWaalsContact O-OG1 3.09Å; L7-Y19 HydrophobicContact CD1-CD2 3.44Å; L7-Y19 VanDerWaalsContact CD1-CD2 3.44Å; L7-Y19 HydrophobicContact CD1-CE2 3.59Å; L7-Y19 HydrophobicContact CD1-CG 4.25Å; L7-Y19 HydrophobicContact CG-CD2 4.09Å; L7-Y19 HydrophobicContact CG-CE2 3.75Å; L7-I49 HydrophobicContact CD1-CD1 4.18Å; L7-I49 HydrophobicContact CD1-CG1 4.24Å; L7-I49 HydrophobicContact CD1-CG2 3.95Å
8P56.3Low66Low60 Ų6077.1 Ų77.139%0.3942%0.423SS..  trans-61.6116.9166.328.6-30.3000105.5E6E6-P8 VanDerWaalsContact O-CD 3.24Å; E6-P8 WeakPolarHBondContact O-CD 3.38Å
9T59.7Low67.3Low12 Ų1275.3 Ų75.37%0.07441%0.41CS..  trans-130.338.1-168.641.90000108.7L7 G11 I15 R16L7-T9 HydrophobicContact CB-CG2 3.7Å; L7-T9 WeakPolarHBondContact O-CG2 3.41Å; L7-T9 PolarHBondContact O-N 2.93Å; L7-T9 PolarHBondContact O-OG1 3.37Å; L7-T9 VanDerWaalsContact O-OG1 3.09Å; T9-G11 PolarHBondContact O-N 2.8Å; T9-I15 HydrophobicContact CG2-CG2 3.56Å; T9-R16 PolarHBondContact O-NE 3.42Å; T9-R16 PolarHBondContact OG1-NE 2.66Å
10D56.3Low68.4Low127 Ų12774.7 Ų74.768%0.67940%0.404SS*.SBendtrans-93.557.8-159-66.98.6000109.9R16D10-R16 IonicContact OD1-CZ 3.72Å; D10-R16 IonicContact OD1-NH2 2.67Å; D10-R16 PolarHBondContact OD1-NH2 2.85Å
11G66Low69.4Low57 Ų5771.3 Ų71.359%0.58839%0.386SS*.SBendtrans174-57.6177.500000111.4T9 S13T9-G11 PolarHBondContact O-N 2.8Å; G11-S13 PolarHBondContact O-N 3.01Å
12N86.9Confident72.3Confident38 Ų3864.8 Ų64.820%0.20335%0.348CS..  trans-75.293.3-170.1-59.839.3000112L14 I15 R16 S39N12-L14 VanDerWaalsContact C-N 3.3Å; N12-L14 PolarHBondContact O-N 3.11Å; N12-I15 HydrophobicContact CB-CB 3.82Å; N12-I15 HydrophobicContact CB-CD1 3.85Å; N12-I15 HydrophobicContact CB-CG1 3.97Å; N12-I15 WeakPolarHBondContact O-CB 3.28Å; N12-I15 PolarHBondContact O-N 3.03Å; N12-I15 VanDerWaalsContact O-N 3.17Å; N12-R16 PolarHBondContact O-N 2.94Å; N12-R16 VanDerWaalsContact O-N 3.09Å; N12-S39 VanDerWaalsContact ND2-C 3.27Å; N12-S39 PolarHBondContact ND2-O 3.43Å
13S90.8Very high75.1Confident71 Ų7159.2 Ų59.250%0.49731%0.314SS..Hα-helixtrans-62.2-35.7-179.1-68.70000112.9G11 R16 A17 L29G11-S13 PolarHBondContact O-N 3.01Å; S13-R16 PolarHBondContact O-N 3.49Å; S13-A17 PolarHBondContact O-N 2.74Å; S13-A17 VanDerWaalsContact O-N 3.08Å; S13-L29 WeakPolarHBondContact O-CD1 3.32Å
14L92.9Very high77.8Confident1 Ų160.9 Ų60.91%0.00531%0.312CS..Hα-helixtrans-62-44.4174.6-179.562.3000111.4N12 A17 V18 T26 L29 L30 A34 Y35 P46N12-L14 VanDerWaalsContact C-N 3.3Å; N12-L14 PolarHBondContact O-N 3.11Å; L14-A17 PolarHBondContact O-N 3.22Å; L14-V18 WeakPolarHBondContact O-CG2 3.19Å; L14-V18 PolarHBondContact O-N 2.84Å; L14-T26 HydrophobicContact CD1-CG2 3.95Å; L14-L29 HydrophobicContact CD1-CB 4.17Å; L14-L30 HydrophobicContact CD1-CD2 3.89Å; L14-L30 HydrophobicContact CD1-CG 4Å; L14-L30 HydrophobicContact CD2-CD2 3.74Å; L14-A34 HydrophobicContact CB-CB 4.3Å; L14-A34 HydrophobicContact CD2-CB 4.32Å; L14-Y35 WeakPolarHBondContact CD2-O 3.43Å; L14-P46 HydrophobicContact CD2-CG 3.83Å; L14-P46 HydrophobicContact CG-CB 4.42Å; L14-P46 HydrophobicContact CG-CG 4.06Å
15I91.6Very high80.1Confident0 Ų059.1 Ų59.10%030%0.299CS..Hα-helixtrans-61.4-44.8175.4-75.5-179.3000111.2T9 N12 A17 V18 Y19 E38 N40 E44 P46 I49T9-I15 HydrophobicContact CG2-CG2 3.56Å; N12-I15 HydrophobicContact CB-CB 3.82Å; N12-I15 HydrophobicContact CB-CD1 3.85Å; N12-I15 HydrophobicContact CB-CG1 3.97Å; N12-I15 WeakPolarHBondContact O-CB 3.28Å; N12-I15 PolarHBondContact O-N 3.03Å; N12-I15 VanDerWaalsContact O-N 3.17Å; I15-A17 VanDerWaalsContact C-N 3.29Å; I15-A17 PolarHBondContact O-N 3.31Å; I15-V18 PolarHBondContact O-N 3.45Å; I15-Y19 VanDerWaalsContact O-CB 3.28Å; I15-Y19 WeakPolarHBondContact O-CB 3.47Å; I15-Y19 PolarHBondContact O-N 3.2Å; I15-E38 WeakPolarHBondContact CD1-O 3.35Å; I15-N40 HydrophobicContact CD1-CB 3.75Å; I15-E44 WeakPolarHBondContact CD1-O 3.02Å; I15-P46 HydrophobicContact CG1-CB 4.44Å; I15-P46 HydrophobicContact CG1-CG 3.98Å; I15-I49 HydrophobicContact CB-CD1 4.27Å; I15-I49 HydrophobicContact CD1-CD1 3.86Å; I15-I49 HydrophobicContact CG1-CD1 4.02Å; I15-I49 HydrophobicContact CG2-CD1 3.35Å
16R90.2Very high82Confident114 Ų11456 Ų5643%0.4328%0.28SS..Hα-helixtrans-59.2-40176.4-74.6-168.8170.2-143.5-2.7112.2T9 D10 N12 S13 Q20T9-R16 PolarHBondContact O-NE 3.42Å; T9-R16 PolarHBondContact OG1-NE 2.66Å; D10-R16 IonicContact OD1-CZ 3.72Å; D10-R16 IonicContact OD1-NH2 2.67Å; D10-R16 PolarHBondContact OD1-NH2 2.85Å; N12-R16 PolarHBondContact O-N 2.94Å; N12-R16 VanDerWaalsContact O-N 3.09Å; S13-R16 PolarHBondContact O-N 3.49Å; R16-Q20 WeakPolarHBondContact O-CG 3.39Å; R16-Q20 PolarHBondContact O-N 2.64Å
17A91.7Very high83.9Confident1 Ų153.2 Ų53.21%0.00826%0.262CS..Hα-helixtrans-66-40.9177.600000113S13 L14 I15 S21 R22 L25 L29S13-A17 PolarHBondContact O-N 2.74Å; S13-A17 VanDerWaalsContact O-N 3.08Å; L14-A17 PolarHBondContact O-N 3.22Å; I15-A17 VanDerWaalsContact C-N 3.29Å; I15-A17 PolarHBondContact O-N 3.31Å; A17-S21 PolarHBondContact O-N 3.46Å; A17-R22 PolarHBondContact O-N 3.01Å; A17-L25 HydrophobicContact CB-CB 4.07Å; A17-L25 HydrophobicContact CB-CD2 3.69Å; A17-L25 HydrophobicContact CB-CG 3.65Å; A17-L29 HydrophobicContact CB-CD1 3.7Å
18V92.6Very high85.6Confident0 Ų058.1 Ų58.10%029%0.288CS..Hα-helixtrans-73.9-37.1178174.10000112L14 I15 Q20 S21 T26 P46 A50 M66 L70L14-V18 WeakPolarHBondContact O-CG2 3.19Å; L14-V18 PolarHBondContact O-N 2.84Å; I15-V18 PolarHBondContact O-N 3.45Å; V18-Q20 VanDerWaalsContact C-N 3.3Å; V18-Q20 PolarHBondContact O-N 3.08Å; V18-S21 WeakPolarHBondContact O-CA 3.32Å; V18-S21 PolarHBondContact O-N 2.89Å; V18-T26 HydrophobicContact CG2-CG2 3.62Å; V18-P46 HydrophobicContact CB-CB 4.45Å; V18-P46 WeakPolarHBondContact CG1-O 3.25Å; V18-P46 HydrophobicContact CG2-CB 4.12Å; V18-A50 HydrophobicContact CG1-CB 3.72Å; V18-M66 HydrophobicContact CG1-CG 4.13Å; V18-M66 HydrophobicContact CG1-SD 4.48Å; V18-M66 HydrophobicContact CG2-SD 4.24Å; V18-L70 HydrophobicContact CG1-CD1 4.07Å; V18-L70 HydrophobicContact CG2-CD1 4.33Å; V18-L70 HydrophobicContact CG2-CD2 4.17Å
19Y90.4Very high87.5Confident43 Ų4357.3 Ų57.317%0.16928%0.28CS..Hα-helixtrans-59.5-40.7174.4-179.5-115.4000111.9V5 L7 I15 S21 I49 T53 H55V5-Y19 PolarHBondContact O-OH 3.17Å; V5-Y19 VanDerWaalsContact O-OH 3.08Å; L7-Y19 HydrophobicContact CD1-CD2 3.44Å; L7-Y19 VanDerWaalsContact CD1-CD2 3.44Å; L7-Y19 HydrophobicContact CD1-CE2 3.59Å; L7-Y19 HydrophobicContact CD1-CG 4.25Å; L7-Y19 HydrophobicContact CG-CD2 4.09Å; L7-Y19 HydrophobicContact CG-CE2 3.75Å; I15-Y19 VanDerWaalsContact O-CB 3.28Å; I15-Y19 WeakPolarHBondContact O-CB 3.47Å; I15-Y19 PolarHBondContact O-N 3.2Å; Y19-S21 PolarHBondContact O-N 2.89Å; Y19-I49 HydrophobicContact CD2-CG2 4.13Å; Y19-T53 HydrophobicContact CD2-CG2 3.81Å; Y19-T53 HydrophobicContact CG-CG2 4.5Å; Y19-T53 WeakPolarHBondContact O-CG2 3.17Å; Y19-H55 AromaticContact CE1-NE2 3.45Å; Y19-H55 WeakPolarHBondContact CE1-NE2 3.47Å; Y19-H55 AromaticContact CE2-CD2 3.78Å; Y19-H55 AromaticContact CE2-NE2 3.47Å; Y19-H55 WeakPolarHBondContact CE2-NE2 3.17Å; Y19-H55 AromaticContact CZ-CD2 3.79Å; Y19-H55 AromaticContact CZ-NE2 3.05Å; Y19-H55 PolarHBondContact O-CD2 2.83Å; Y19-H55 PolarHBondContact OH-NE2 2.97Å
20Q88.9Confident89.1Confident64 Ų6458 Ų5830%0.29928%0.283SS..THydrogen-bonded Turntrans-78.34.6173.6-63.5173.18.100113.4R16 V18 R22R16-Q20 WeakPolarHBondContact O-CG 3.39Å; R16-Q20 PolarHBondContact O-N 2.64Å; V18-Q20 VanDerWaalsContact C-N 3.3Å; V18-Q20 PolarHBondContact O-N 3.08Å; Q20-R22 HydrophobicContact CB-CG 3.82Å; Q20-R22 WeakPolarHBondContact O-CG 3.19Å; Q20-R22 PolarHBondContact O-N 2.91Å; Q20-R22 VanDerWaalsContact O-N 3.09Å; Q20-R22 VanDerWaalsContact OE1-CD 3.31Å
21S90.1Very high90.9Very high4 Ų458.4 Ų58.43%0.02828%0.281CS..THydrogen-bonded Turntrans54.524.9-175.3-60.80000114.4A17 V18 Y19 L23 V61A17-S21 PolarHBondContact O-N 3.46Å; V18-S21 WeakPolarHBondContact O-CA 3.32Å; V18-S21 PolarHBondContact O-N 2.89Å; Y19-S21 PolarHBondContact O-N 2.89Å; S21-L23 PolarHBondContact O-N 3.49Å; S21-L23 VanDerWaalsContact O-N 3.09Å; S21-V61 PolarHBondContact O-N 2.95Å; S21-V61 VanDerWaalsContact O-N 3.13Å
22R91.7Very high92.2Very high104 Ų10458.8 Ų58.839%0.39229%0.285SS..  trans-86.380-173.1-70.1-178.7-176.6-178.1-0.9111.5A17 Q20 R24 L25 T26 D57A17-R22 PolarHBondContact O-N 3.01Å; Q20-R22 HydrophobicContact CB-CG 3.82Å; Q20-R22 WeakPolarHBondContact O-CG 3.19Å; Q20-R22 PolarHBondContact O-N 2.91Å; Q20-R22 VanDerWaalsContact O-N 3.09Å; Q20-R22 VanDerWaalsContact OE1-CD 3.31Å; R22-R24 VanDerWaalsContact C-N 3.26Å; R22-R24 PolarHBondContact O-N 3.35Å; R22-R24 VanDerWaalsContact O-N 3.17Å; R22-L25 HydrophobicContact CB-CB 4.02Å; R22-L25 PolarHBondContact O-N 3.08Å; R22-T26 PolarHBondContact O-N 3.27Å; R22-T26 PolarHBondContact O-OG1 3.18Å; R22-D57 IonicContact NH2-OD2 3.9Å
23L92.1Very high92.3Very high18 Ų1860 Ų609%0.09431%0.306CS..Hα-helixtrans-54.6-34.9-178.1-179.2149000113.9S21 T26 R27 V61 K65 M66S21-L23 PolarHBondContact O-N 3.49Å; S21-L23 VanDerWaalsContact O-N 3.09Å; L23-T26 PolarHBondContact O-N 3.07Å; L23-R27 HydrophobicContact CD2-CG 4.5Å; L23-R27 WeakPolarHBondContact O-CB 3.42Å; L23-R27 WeakPolarHBondContact O-CG 3.27Å; L23-R27 PolarHBondContact O-N 2.67Å; L23-V61 HydrophobicContact CB-CB 4.12Å; L23-V61 HydrophobicContact CB-CG1 4.47Å; L23-V61 HydrophobicContact CB-CG2 3.68Å; L23-V61 HydrophobicContact CD1-CG1 3.95Å; L23-V61 HydrophobicContact CD1-CG2 4.4Å; L23-K65 HydrophobicContact CD1-CG 4.25Å; L23-M66 HydrophobicContact CB-CE 4.19Å
24R93.1Very high92.4Very high210 Ų21057.9 Ų57.979%0.79229%0.293SS*.Hα-helixtrans-65.3-39.7174.8-73.4-174.2178.5176.50.6113R22 L28R22-R24 VanDerWaalsContact C-N 3.26Å; R22-R24 PolarHBondContact O-N 3.35Å; R22-R24 VanDerWaalsContact O-N 3.17Å; R24-L28 WeakPolarHBondContact O-CG 3.29Å; R24-L28 PolarHBondContact O-N 3.28Å
25L93.1Very high92.4Very high72 Ų7264.7 Ų64.738%0.37732%0.32SS..Hα-helixtrans-74.4-38.2177.5-177.661.1000110.8A17 R22 R27 L28 L29A17-L25 HydrophobicContact CB-CB 4.07Å; A17-L25 HydrophobicContact CB-CD2 3.69Å; A17-L25 HydrophobicContact CB-CG 3.65Å; R22-L25 HydrophobicContact CB-CB 4.02Å; R22-L25 PolarHBondContact O-N 3.08Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 3.23Å; L25-L28 PolarHBondContact O-N 3.36Å; L25-L29 HydrophobicContact CD1-CD1 4.37Å; L25-L29 HydrophobicContact CD1-CG 4.47Å; L25-L29 HydrophobicContact CG-CD1 4.09Å; L25-L29 WeakPolarHBondContact O-CG 3.45Å; L25-L29 PolarHBondContact O-N 2.98Å
26T93.9Very high92.5Very high0 Ų065.7 Ų65.70%033%0.325CS..Hα-helixtrans-58.9-44.1174.7-50.70000110.9L14 V18 R22 L23 L29 L30 M66 Y69 L70L14-T26 HydrophobicContact CD1-CG2 3.95Å; V18-T26 HydrophobicContact CG2-CG2 3.62Å; R22-T26 PolarHBondContact O-N 3.27Å; R22-T26 PolarHBondContact O-OG1 3.18Å; L23-T26 PolarHBondContact O-N 3.07Å; T26-L29 PolarHBondContact O-N 3.44Å; T26-L30 HydrophobicContact CG2-CD1 4.3Å; T26-L30 WeakPolarHBondContact O-CG 3.37Å; T26-L30 PolarHBondContact O-N 3.44Å; T26-L30 VanDerWaalsContact O-N 3.08Å; T26-M66 HydrophobicContact CG2-SD 4.17Å; T26-Y69 HydrophobicContact CG2-CD1 4.37Å; T26-Y69 HydrophobicContact CG2-CE1 4.17Å; T26-L70 HydrophobicContact CG2-CD2 4.04Å
27R94.5Very high92.6Very high109 Ų10960.9 Ų60.941%0.41131%0.308SS..Hα-helixtrans-55.1-57.4172.2-83.7174.6179.8-157.1-3.2112.6L23 L25 L29 L30 E31 Y69L23-R27 HydrophobicContact CD2-CG 4.5Å; L23-R27 WeakPolarHBondContact O-CB 3.42Å; L23-R27 WeakPolarHBondContact O-CG 3.27Å; L23-R27 PolarHBondContact O-N 2.67Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 3.23Å; R27-L29 PolarHBondContact O-N 2.92Å; R27-L30 PolarHBondContact O-N 2.89Å; R27-L30 VanDerWaalsContact O-N 3.15Å; R27-E31 VanDerWaalsContact O-CB 3.31Å; R27-E31 WeakPolarHBondContact O-CB 3.36Å; R27-E31 VanDerWaalsContact O-CG 3.27Å; R27-E31 WeakPolarHBondContact O-CG 3.45Å; R27-E31 PolarHBondContact O-N 2.85Å; R27-Y69 HydrophobicContact CG-CE1 3.64Å; R27-Y69 HydrophobicContact CG-CE2 4Å; R27-Y69 VanDerWaalsContact CG-OH 3.31Å; R27-Y69 WeakPolarHBondContact CG-OH 3.3Å
28L95.7Very high92.5Very high115 Ų11563.5 Ų63.560%0.60232%0.32SS*.Hα-helixtrans-59.5-30.3-177.9-69.6170.2000113.3R24 L25 G32R24-L28 WeakPolarHBondContact O-CG 3.29Å; R24-L28 PolarHBondContact O-N 3.28Å; L25-L28 PolarHBondContact O-N 3.36Å; L28-G32 PolarHBondContact O-N 3.44Å
29L94.5Very high92.5Very high43 Ų4366.6 Ų66.623%0.22534%0.341CS..Hα-helixtrans-75.9-42.2176.6-69.3169.6000112.3S13 L14 A17 L25 T26 R27 G32 G33 A34S13-L29 WeakPolarHBondContact O-CD1 3.32Å; L14-L29 HydrophobicContact CD1-CB 4.17Å; A17-L29 HydrophobicContact CB-CD1 3.7Å; L25-L29 HydrophobicContact CD1-CD1 4.37Å; L25-L29 HydrophobicContact CD1-CG 4.47Å; L25-L29 HydrophobicContact CG-CD1 4.09Å; L25-L29 WeakPolarHBondContact O-CG 3.45Å; L25-L29 PolarHBondContact O-N 2.98Å; T26-L29 PolarHBondContact O-N 3.44Å; R27-L29 PolarHBondContact O-N 2.92Å; L29-G32 CarbonylContact O-C 3.43Å; L29-G32 WeakPolarHBondContact O-CA 3.25Å; L29-G32 PolarHBondContact O-N 3.29Å; L29-G33 PolarHBondContact O-N 2.77Å; L29-A34 HydrophobicContact CB-CB 4.18Å; L29-A34 WeakPolarHBondContact O-CB 3.48Å; L29-A34 PolarHBondContact O-N 3Å
30L94.3Very high92.5Very high26 Ų2665 Ų6514%0.13634%0.336CS..Hα-helixtrans-69.6-41.1175.3-65.5176.6000112.1L14 T26 R27 G32 G33 I36 Y69 L70 N73L14-L30 HydrophobicContact CD1-CD2 3.89Å; L14-L30 HydrophobicContact CD1-CG 4Å; L14-L30 HydrophobicContact CD2-CD2 3.74Å; T26-L30 HydrophobicContact CG2-CD1 4.3Å; T26-L30 WeakPolarHBondContact O-CG 3.37Å; T26-L30 PolarHBondContact O-N 3.44Å; T26-L30 VanDerWaalsContact O-N 3.08Å; R27-L30 PolarHBondContact O-N 2.89Å; R27-L30 VanDerWaalsContact O-N 3.15Å; L30-G32 PolarHBondContact O-N 2.87Å; L30-G33 PolarHBondContact O-N 2.78Å; L30-I36 HydrophobicContact CD1-CD1 3.78Å; L30-I36 HydrophobicContact CD2-CB 4.23Å; L30-I36 HydrophobicContact CD2-CD1 3.68Å; L30-I36 HydrophobicContact CG-CD1 4.41Å; L30-Y69 HydrophobicContact CD1-CE1 3.88Å; L30-L70 HydrophobicContact CD1-CD2 4.49Å; L30-N73 HydrophobicContact CD1-CB 4.13Å
31E93.6Very high92.5Very high136 Ų13667.5 Ų67.564%0.63635%0.351SS*.Hα-helixtrans-61.5-31.2170.5-69.9164.3-161.500111.5R27 G33R27-E31 VanDerWaalsContact O-CB 3.31Å; R27-E31 WeakPolarHBondContact O-CB 3.36Å; R27-E31 VanDerWaalsContact O-CG 3.27Å; R27-E31 WeakPolarHBondContact O-CG 3.45Å; R27-E31 PolarHBondContact O-N 2.85Å; E31-G33 VanDerWaalsContact C-N 3.28Å; E31-G33 PolarHBondContact O-N 2.8Å
32G92.9Very high92.4Very high65 Ų6571.3 Ų71.367%0.6737%0.365SS*.THydrogen-bonded Turntrans-79.62.5171.600000115.4L28 L29 L30L28-G32 PolarHBondContact O-N 3.44Å; L29-G32 CarbonylContact O-C 3.43Å; L29-G32 WeakPolarHBondContact O-CA 3.25Å; L29-G32 PolarHBondContact O-N 3.29Å; L30-G32 PolarHBondContact O-N 2.87Å
33G90.6Very high92.4Very high64 Ų6466.9 Ų66.966%0.6635%0.352SS*.THydrogen-bonded Turntrans85.915.2175.800000116.2L29 L30 E31L29-G33 PolarHBondContact O-N 2.77Å; L30-G33 PolarHBondContact O-N 2.78Å; E31-G33 VanDerWaalsContact C-N 3.28Å; E31-G33 PolarHBondContact O-N 2.8Å
34A92.9Very high92.4Very high26 Ų2666.4 Ų66.422%0.21535%0.349CS..  trans-60.5139.3168.900000110.5L14 L29 I36L14-A34 HydrophobicContact CB-CB 4.3Å; L14-A34 HydrophobicContact CD2-CB 4.32Å; L29-A34 HydrophobicContact CB-CB 4.18Å; L29-A34 WeakPolarHBondContact O-CB 3.48Å; L29-A34 PolarHBondContact O-N 3Å; A34-I36 PolarHBondContact O-N 3.31Å
35Y92.4Very high92.4Very high144 Ų14456.4 Ų56.457%0.56531%0.311SS*.  trans-82.4120-172.3173.8-109.7000110.6L14 N37 E38L14-Y35 WeakPolarHBondContact CD2-O 3.43Å; Y35-N37 HydrophobicContact CD1-CB 4.3Å; Y35-N37 HydrophobicContact CE1-CB 3.62Å; Y35-N37 PolarHBondContact O-N 2.85Å; Y35-E38 HydrophobicContact CD1-CG 4.2Å; Y35-E38 PolarHBondContact N-OE1 3.28Å; Y35-E38 WeakPolarHBondContact O-CB 3.36Å; Y35-E38 VanDerWaalsContact O-CG 3.27Å; Y35-E38 WeakPolarHBondContact O-CG 3.34Å; Y35-E38 PolarHBondContact O-N 3.33Å
36I92.9Very high92.5Very high22 Ų2253 Ų5311%0.11329%0.293CS..THydrogen-bonded Turntrans-55.9-27.7-169.7-17263.3000114.4L30 A34 P46 L70 N73 A75L30-I36 HydrophobicContact CD1-CD1 3.78Å; L30-I36 HydrophobicContact CD2-CB 4.23Å; L30-I36 HydrophobicContact CD2-CD1 3.68Å; L30-I36 HydrophobicContact CG-CD1 4.41Å; A34-I36 PolarHBondContact O-N 3.31Å; I36-P46 WeakPolarHBondContact O-CD 3.3Å; I36-P46 WeakPolarHBondContact O-CG 3.24Å; I36-L70 HydrophobicContact CD1-CB 4.48Å; I36-L70 HydrophobicContact CD1-CD2 3.68Å; I36-N73 HydrophobicContact CD1-CB 4.18Å; I36-A75 HydrophobicContact CD1-CB 4.12Å; I36-A75 HydrophobicContact CG1-CB 3.6Å
37N92.9Very high92.6Very high13 Ų1353 Ų537%0.0729%0.294CS..THydrogen-bonded Turntrans-104.219-179.7-62.1-34.9000113.3Y35 S39 D76 I79Y35-N37 HydrophobicContact CD1-CB 4.3Å; Y35-N37 HydrophobicContact CE1-CB 3.62Å; Y35-N37 PolarHBondContact O-N 2.85Å; N37-S39 PolarHBondContact O-N 2.96Å; N37-D76 PolarHBondContact ND2-OD2 2.98Å; N37-D76 PolarHBondContact OD1-N 2.61Å; N37-I79 HydrophobicContact CB-CD1 3.65Å
38E90.4Very high92.5Very high55 Ų5547.9 Ų47.926%0.25727%0.274SS..  trans-53110.4172.4-88.5168.9-147.300111.5I15 Y35 P46I15-E38 WeakPolarHBondContact CD1-O 3.35Å; Y35-E38 HydrophobicContact CD1-CG 4.2Å; Y35-E38 PolarHBondContact N-OE1 3.28Å; Y35-E38 WeakPolarHBondContact O-CB 3.36Å; Y35-E38 VanDerWaalsContact O-CG 3.27Å; Y35-E38 WeakPolarHBondContact O-CG 3.34Å; Y35-E38 PolarHBondContact O-N 3.33Å; E38-P46 WeakPolarHBondContact O-CD 3.17Å
39S91.1Very high92.4Very high65 Ų6542.4 Ų42.446%0.45525%0.245SC..  trans-90.3146.8175.254.80000112.3N12 N37 E44N12-S39 VanDerWaalsContact ND2-C 3.27Å; N12-S39 PolarHBondContact ND2-O 3.43Å; N37-S39 PolarHBondContact O-N 2.96Å; S39-E44 WeakPolarHBondContact CA-O 3.48Å
40N90.5Very high92.3Very high11 Ų1140.4 Ų40.46%0.05924%0.235CC..  trans-84.3-173.617368.510.8000112.6I15 R42 G43 E44I15-N40 HydrophobicContact CD1-CB 3.75Å; N40-R42 PolarHBondContact O-N 3.16Å; N40-R42 WeakPolarHBondContact OD1-CA 3.42Å; N40-R42 PolarHBondContact OD1-N 3.47Å; N40-G43 PolarHBondContact O-N 3.41Å; N40-G43 PolarHBondContact OD1-N 3.18Å; N40-E44 PolarHBondContact N-O 2.87Å; N40-E44 VanDerWaalsContact N-O 3.16Å; N40-E44 PolarHBondContact ND2-OE2 3Å; N40-E44 WeakPolarHBondContact OD1-CB 3.48Å; N40-E44 PolarHBondContact OD1-N 3.47Å
41D89.9Confident92.2Very high116 Ų11639.1 Ų39.162%0.6223%0.229SC*.THydrogen-bonded Turntrans-59.5-12.9177.8-62.8-58.6000115.4K82D41-K82 WeakPolarHBondContact O-CD 3.45Å; D41-K82 VanDerWaalsContact O-CE 3.22Å; D41-K82 WeakPolarHBondContact O-CE 3.42Å; D41-K82 PolarHBondContact O-NZ 3.06Å
42R88.3Confident92Very high84 Ų8434.8 Ų34.832%0.31721%0.206SC..THydrogen-bonded Turntrans-100.12.3171.4-71.1-168.9-59-98-24.3113.8N40 E44 K82N40-R42 PolarHBondContact O-N 3.16Å; N40-R42 WeakPolarHBondContact OD1-CA 3.42Å; N40-R42 PolarHBondContact OD1-N 3.47Å; R42-E44 VanDerWaalsContact C-N 3.28Å; R42-E44 HydrophobicContact CB-CG 3.87Å; R42-E44 IonicContact CZ-OE1 2.73Å; R42-E44 IonicContact CZ-OE2 3.44Å; R42-E44 VanDerWaalsContact NE-CD 3.32Å; R42-E44 IonicContact NE-OE1 3.81Å; R42-E44 PolarHBondContact NE-OE1 3.43Å; R42-E44 IonicContact NE-OE2 3.41Å; R42-E44 PolarHBondContact NE-OE2 2.84Å; R42-E44 IonicContact NH2-OE1 2.67Å; R42-E44 PolarHBondContact NH2-OE1 2.9Å; R42-E44 IonicContact NH2-OE2 3.51Å; R42-E44 PolarHBondContact NH2-OE2 3.23Å; R42-K82 VanDerWaalsContact O-CB 3.3Å; R42-K82 WeakPolarHBondContact O-CB 3.47Å; R42-K82 WeakPolarHBondContact O-CG 3.44Å; R42-K82 PolarHBondContact O-N 2.94Å
43G90.8Very high91.6Very high11 Ų1132.2 Ų32.211%0.11318%0.177CC..  trans80.66.7-174.400000113.6N40 T45N40-G43 PolarHBondContact O-N 3.41Å; N40-G43 PolarHBondContact OD1-N 3.18Å; G43-T45 PolarHBondContact O-N 3.46Å
44E92.2Very high91.1Very high7 Ų736 Ų363%0.03318%0.176CC..  trans-78.6120.9-173.5-56.1163.6165.800110.3I15 S39 N40 R42 M48 I49 R52 D81I15-E44 WeakPolarHBondContact CD1-O 3.02Å; S39-E44 WeakPolarHBondContact CA-O 3.48Å; N40-E44 PolarHBondContact N-O 2.87Å; N40-E44 VanDerWaalsContact N-O 3.16Å; N40-E44 PolarHBondContact ND2-OE2 3Å; N40-E44 WeakPolarHBondContact OD1-CB 3.48Å; N40-E44 PolarHBondContact OD1-N 3.47Å; R42-E44 VanDerWaalsContact C-N 3.28Å; R42-E44 HydrophobicContact CB-CG 3.87Å; R42-E44 IonicContact CZ-OE1 2.73Å; R42-E44 IonicContact CZ-OE2 3.44Å; R42-E44 VanDerWaalsContact NE-CD 3.32Å; R42-E44 IonicContact NE-OE1 3.81Å; R42-E44 PolarHBondContact NE-OE1 3.43Å; R42-E44 IonicContact NE-OE2 3.41Å; R42-E44 PolarHBondContact NE-OE2 2.84Å; R42-E44 IonicContact NH2-OE1 2.67Å; R42-E44 PolarHBondContact NH2-OE1 2.9Å; R42-E44 IonicContact NH2-OE2 3.51Å; R42-E44 PolarHBondContact NH2-OE2 3.23Å; E44-M48 HydrophobicContact CB-SD 4.41Å; E44-I49 HydrophobicContact CB-CD1 3.92Å; E44-I49 HydrophobicContact CB-CG1 3.95Å; E44-R52 IonicContact OE1-CZ 2.62Å; E44-R52 IonicContact OE1-NH1 3.8Å; E44-R52 PolarHBondContact OE1-NH1 3.5Å; E44-R52 IonicContact OE2-NH1 3.32Å; E44-D81 HydrophobicContact CG-CB 4.41Å
45T94Very high90Very high1 Ų138 Ų381%0.00618%0.181CC..  trans-79.5164.6175.469.20000111.5G43 L47 M48 I49 I79G43-T45 PolarHBondContact O-N 3.46Å; T45-L47 PolarHBondContact O-N 2.78Å; T45-M48 HydrophobicContact CG2-CE 4.13Å; T45-M48 HydrophobicContact CG2-SD 4.41Å; T45-M48 PolarHBondContact N-SD 3.06Å; T45-M48 VanDerWaalsContact N-SD 3.38Å; T45-M48 PolarHBondContact O-N 3.28Å; T45-M48 WeakPolarHBondContact OG1-CG 3.31Å; T45-M48 PolarHBondContact OG1-N 3.42Å; T45-I49 WeakPolarHBondContact O-CG1 3.42Å; T45-I49 PolarHBondContact O-N 3.04Å; T45-I79 HydrophobicContact CG2-CB 4.01Å; T45-I79 HydrophobicContact CG2-CD1 4.04Å; T45-I79 HydrophobicContact CG2-CG2 3.58Å
46P94.1Very high89Confident0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-60.3-33.2178-20.534.1000111.7L14 I15 V18 I36 E38 I49 A50 L70L14-P46 HydrophobicContact CD2-CG 3.83Å; L14-P46 HydrophobicContact CG-CB 4.42Å; L14-P46 HydrophobicContact CG-CG 4.06Å; I15-P46 HydrophobicContact CG1-CB 4.44Å; I15-P46 HydrophobicContact CG1-CG 3.98Å; V18-P46 HydrophobicContact CB-CB 4.45Å; V18-P46 WeakPolarHBondContact CG1-O 3.25Å; V18-P46 HydrophobicContact CG2-CB 4.12Å; I36-P46 WeakPolarHBondContact O-CD 3.3Å; I36-P46 WeakPolarHBondContact O-CG 3.24Å; E38-P46 WeakPolarHBondContact O-CD 3.17Å; P46-I49 PolarHBondContact O-N 3.12Å; P46-A50 WeakPolarHBondContact O-CB 3.05Å; P46-A50 PolarHBondContact O-N 2.96Å; P46-L70 HydrophobicContact CB-CD1 4.48Å
47L95.3Very high88.4Confident1 Ų139.9 Ų39.91%0.00521%0.205CC..Hα-helixtrans-65.1-44.7176.6-174.166.2000112.4T45 I49 A50 C51 V67 L70 L71 A75 P77 A87 L104T45-L47 PolarHBondContact O-N 2.78Å; L47-I49 VanDerWaalsContact C-N 3.31Å; L47-I49 PolarHBondContact O-N 3.08Å; L47-A50 PolarHBondContact O-N 2.99Å; L47-C51 PolarHBondContact O-N 3.25Å; L47-C51 VanDerWaalsContact O-N 3.09Å; L47-C51 PolarHBondContact O-SG 3.39Å; L47-V67 HydrophobicContact CD1-CG1 4.03Å; L47-L70 HydrophobicContact CD1-CB 4.07Å; L47-L70 HydrophobicContact CD1-CD1 4.39Å; L47-L71 HydrophobicContact CD1-CD2 3.88Å; L47-L71 HydrophobicContact CD1-CG 4.02Å; L47-L71 HydrophobicContact CD2-CD2 3.72Å; L47-L71 HydrophobicContact CG-CD2 4.48Å; L47-A75 HydrophobicContact CB-CB 4.24Å; L47-A75 HydrophobicContact CD2-CB 4.1Å; L47-P77 HydrophobicContact CD2-CB 4.08Å; L47-A87 HydrophobicContact CD2-CB 3.99Å; L47-A87 HydrophobicContact CG-CB 3.91Å; L47-L104 HydrophobicContact CD1-CD2 4.18Å; L47-L104 HydrophobicContact CD2-CD2 4.03Å; L47-L104 HydrophobicContact CG-CD2 4.22Å
48M94.3Very high87.6Confident0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-60.2-43.7172.9-64167.6-174.300111.1E44 T45 A50 C51 R52 I79 D81 K85 A87E44-M48 HydrophobicContact CB-SD 4.41Å; T45-M48 HydrophobicContact CG2-CE 4.13Å; T45-M48 HydrophobicContact CG2-SD 4.41Å; T45-M48 PolarHBondContact N-SD 3.06Å; T45-M48 VanDerWaalsContact N-SD 3.38Å; T45-M48 PolarHBondContact O-N 3.28Å; T45-M48 WeakPolarHBondContact OG1-CG 3.31Å; T45-M48 PolarHBondContact OG1-N 3.42Å; M48-A50 PolarHBondContact O-N 2.98Å; M48-C51 WeakPolarHBondContact O-CA 3.29Å; M48-C51 WeakPolarHBondContact O-CB 3.48Å; M48-C51 PolarHBondContact O-N 2.72Å; M48-C51 VanDerWaalsContact O-N 3.09Å; M48-R52 WeakPolarHBondContact O-CG 3.46Å; M48-R52 PolarHBondContact O-N 3.02Å; M48-I79 HydrophobicContact CE-CB 4.32Å; M48-I79 HydrophobicContact CE-CG2 4.12Å; M48-I79 WeakPolarHBondContact CE-O 3.45Å; M48-D81 HydrophobicContact CE-CB 4.33Å; M48-D81 HydrophobicContact SD-CB 3.97Å; M48-K85 WeakPolarHBondContact CE-O 3.41Å; M48-A87 HydrophobicContact CG-CB 3.98Å
49I92.4Very high87Confident0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-66.4-40.2-178.3-67.7175.3000110.5L7 I15 Y19 E44 T45 P46 L47 C51 R52 T53L7-I49 HydrophobicContact CD1-CD1 4.18Å; L7-I49 HydrophobicContact CD1-CG1 4.24Å; L7-I49 HydrophobicContact CD1-CG2 3.95Å; I15-I49 HydrophobicContact CB-CD1 4.27Å; I15-I49 HydrophobicContact CD1-CD1 3.86Å; I15-I49 HydrophobicContact CG1-CD1 4.02Å; I15-I49 HydrophobicContact CG2-CD1 3.35Å; Y19-I49 HydrophobicContact CD2-CG2 4.13Å; E44-I49 HydrophobicContact CB-CD1 3.92Å; E44-I49 HydrophobicContact CB-CG1 3.95Å; T45-I49 WeakPolarHBondContact O-CG1 3.42Å; T45-I49 PolarHBondContact O-N 3.04Å; P46-I49 PolarHBondContact O-N 3.12Å; L47-I49 VanDerWaalsContact C-N 3.31Å; L47-I49 PolarHBondContact O-N 3.08Å; I49-C51 VanDerWaalsContact C-N 3.29Å; I49-C51 PolarHBondContact O-N 3.13Å; I49-R52 PolarHBondContact O-N 3.4Å; I49-T53 HydrophobicContact CG2-CG2 4.27Å; I49-T53 WeakPolarHBondContact O-CG2 3.4Å; I49-T53 PolarHBondContact O-N 3.18Å
50A92.7Very high86.7Confident1 Ų147.5 Ų47.51%0.00825%0.25CC..Hα-helixtrans-57.4-39.9170.100000112.3V18 P46 L47 M48 R52 T53 K63 M66 V67 L70V18-A50 HydrophobicContact CG1-CB 3.72Å; P46-A50 WeakPolarHBondContact O-CB 3.05Å; P46-A50 PolarHBondContact O-N 2.96Å; L47-A50 PolarHBondContact O-N 2.99Å; M48-A50 PolarHBondContact O-N 2.98Å; A50-R52 VanDerWaalsContact C-N 3.3Å; A50-R52 PolarHBondContact O-N 3.45Å; A50-T53 PolarHBondContact O-OG1 3.26Å; A50-K63 WeakPolarHBondContact O-CD 3.25Å; A50-K63 VanDerWaalsContact O-CE 3.31Å; A50-K63 WeakPolarHBondContact O-CE 3.07Å; A50-K63 VanDerWaalsContact O-CG 3.31Å; A50-K63 WeakPolarHBondContact O-CG 3.35Å; A50-M66 HydrophobicContact CB-CG 3.97Å; A50-V67 HydrophobicContact CB-CG2 3.82Å; A50-L70 HydrophobicContact CB-CD1 3.83Å
51C92.2Very high86.6Confident0 Ų048.6 Ų48.60%026%0.257CS..Hα-helixtrans-65.4-31174.8-650000113L47 M48 I49 K63 H90 A91L47-C51 PolarHBondContact O-N 3.25Å; L47-C51 VanDerWaalsContact O-N 3.09Å; L47-C51 PolarHBondContact O-SG 3.39Å; M48-C51 WeakPolarHBondContact O-CA 3.29Å; M48-C51 WeakPolarHBondContact O-CB 3.48Å; M48-C51 PolarHBondContact O-N 2.72Å; M48-C51 VanDerWaalsContact O-N 3.09Å; I49-C51 VanDerWaalsContact C-N 3.29Å; I49-C51 PolarHBondContact O-N 3.13Å; C51-K63 WeakPolarHBondContact O-CE 3.41Å; C51-K63 PolarHBondContact O-NZ 2.95Å; C51-H90 HydrophobicContact CB-CB 4.33Å; C51-A91 HydrophobicContact CB-CB 4.08Å
52R89Confident86.6Confident45 Ų4546.8 Ų46.817%0.1725%0.253CS..Hα-helixtrans-86.8-28.9-178.8-62.2176.566.9-1656.5115.4E44 M48 I49 A50 K54 H90 E94E44-R52 IonicContact OE1-CZ 2.62Å; E44-R52 IonicContact OE1-NH1 3.8Å; E44-R52 PolarHBondContact OE1-NH1 3.5Å; E44-R52 IonicContact OE2-NH1 3.32Å; M48-R52 WeakPolarHBondContact O-CG 3.46Å; M48-R52 PolarHBondContact O-N 3.02Å; I49-R52 PolarHBondContact O-N 3.4Å; A50-R52 VanDerWaalsContact C-N 3.3Å; A50-R52 PolarHBondContact O-N 3.45Å; R52-K54 PolarHBondContact O-N 3.36Å; R52-H90 WeakPolarHBondContact CD-ND1 3.47Å; R52-H90 HydrophobicContact CG-CB 3.95Å; R52-E94 HydrophobicContact CB-CG 4.14Å; R52-E94 HydrophobicContact CG-CG 3.97Å; R52-E94 IonicContact NE-OE1 2.67Å
53T85.6Confident86.6Confident10 Ų1044.6 Ų44.66%0.06125%0.246CC..  trans-56.8140.3-172.147.60000113.4Y19 I49 A50 K63Y19-T53 HydrophobicContact CD2-CG2 3.81Å; Y19-T53 HydrophobicContact CG-CG2 4.5Å; Y19-T53 WeakPolarHBondContact O-CG2 3.17Å; I49-T53 HydrophobicContact CG2-CG2 4.27Å; I49-T53 WeakPolarHBondContact O-CG2 3.4Å; I49-T53 PolarHBondContact O-N 3.18Å; A50-T53 PolarHBondContact O-OG1 3.26Å; T53-K63 WeakPolarHBondContact O-CE 3.35Å; T53-K63 PolarHBondContact O-NZ 2.88Å
54K79.9Confident86.7Confident145 Ų14544.4 Ų44.463%0.6324%0.243SC*.  trans-121.219.6170.9-63.5172.6-170.91640111.1R52 V56 E94R52-K54 PolarHBondContact O-N 3.36Å; K54-V56 PolarHBondContact O-N 3.5Å; K54-E94 WeakPolarHBondContact CE-OE2 3.23Å; K54-E94 IonicContact NZ-OE2 3.81Å; K54-E94 PolarHBondContact NZ-OE2 2.98Å
55H69.7Low86.7Confident68 Ų6850.1 Ų50.132%0.31527%0.268SS..  trans-75.9117.9-178.6-76.9-63.4000111.4Y19Y19-H55 AromaticContact CE1-NE2 3.45Å; Y19-H55 WeakPolarHBondContact CE1-NE2 3.47Å; Y19-H55 AromaticContact CE2-CD2 3.78Å; Y19-H55 AromaticContact CE2-NE2 3.47Å; Y19-H55 WeakPolarHBondContact CE2-NE2 3.17Å; Y19-H55 AromaticContact CZ-CD2 3.79Å; Y19-H55 AromaticContact CZ-NE2 3.05Å; Y19-H55 PolarHBondContact O-CD2 2.83Å; Y19-H55 PolarHBondContact OH-NE2 2.97Å
56V71.4Confident86.7Confident134 Ų13450.1 Ų50.181%0.81227%0.268SS*.  trans-120.264.5-179.9-170.80000109.1K54K54-V56 PolarHBondContact O-N 3.5Å
57D78.9Confident86.7Confident71 Ų7150.1 Ų50.138%0.3827%0.268SS..  trans-70.8154.7166.7-84.3-4.8000110.2R22 Q59 S60R22-D57 IonicContact NH2-OD2 3.9Å; D57-Q59 PolarHBondContact O-N 3.4Å; D57-S60 PolarHBondContact N-OG 2.75Å; D57-S60 VanDerWaalsContact O-CB 3.32Å; D57-S60 WeakPolarHBondContact O-CB 3.4Å; D57-S60 PolarHBondContact O-N 3.02Å; D57-S60 PolarHBondContact O-OG 3.48Å
58S76Confident86.7Confident119 Ų11954.7 Ų54.783%0.83229%0.288SS*.THydrogen-bonded Turntrans-62.2-9.716964.50000114.4
59Q78.5Confident86.7Confident140 Ų14055.7 Ų55.765%0.65429%0.292SS*.THydrogen-bonded Turntrans-116.15.2173.5-60.7-63.1-78.200112.8D57D57-Q59 PolarHBondContact O-N 3.4Å
60S84.5Confident86.8Confident33 Ų3355.7 Ų55.723%0.23129%0.292CS..  trans-69.7149.717366.60000110.7D57D57-S60 PolarHBondContact N-OG 2.75Å; D57-S60 VanDerWaalsContact O-CB 3.32Å; D57-S60 WeakPolarHBondContact O-CB 3.4Å; D57-S60 PolarHBondContact O-N 3.02Å; D57-S60 PolarHBondContact O-OG 3.48Å
61V88.4Confident87Confident35 Ų3557 Ų5721%0.21230%0.298CS..  trans-104.5145.61701720000109.6S21 L23 K65S21-V61 PolarHBondContact O-N 2.95Å; S21-V61 VanDerWaalsContact O-N 3.13Å; L23-V61 HydrophobicContact CB-CB 4.12Å; L23-V61 HydrophobicContact CB-CG1 4.47Å; L23-V61 HydrophobicContact CB-CG2 3.68Å; L23-V61 HydrophobicContact CD1-CG1 3.95Å; L23-V61 HydrophobicContact CD1-CG2 4.4Å; V61-K65 HydrophobicContact CG1-CB 3.66Å; V61-K65 HydrophobicContact CG1-CD 3.79Å; V61-K65 HydrophobicContact CG1-CG 3.64Å
62S89.5Confident87.1Confident77 Ų7762.2 Ų62.254%0.53832%0.323SS..  trans-54.6142.3178.761.90000112.2A64 K65 M66S62-A64 VanDerWaalsContact C-N 3.31Å; S62-A64 PolarHBondContact O-N 3.41Å; S62-K65 PolarHBondContact O-N 3.24Å; S62-K65 WeakPolarHBondContact OG-CB 3.31Å; S62-M66 PolarHBondContact O-N 2.94Å
63K89.7Confident87.3Confident39 Ų3963 Ų6317%0.1733%0.33CS..Hα-helixtrans-49.2-49.4-176.2-177.4169.9-68.9-175.10112.8A50 C51 T53 K65 M66 V67 A96 V100A50-K63 WeakPolarHBondContact O-CD 3.25Å; A50-K63 VanDerWaalsContact O-CE 3.31Å; A50-K63 WeakPolarHBondContact O-CE 3.07Å; A50-K63 VanDerWaalsContact O-CG 3.31Å; A50-K63 WeakPolarHBondContact O-CG 3.35Å; C51-K63 WeakPolarHBondContact O-CE 3.41Å; C51-K63 PolarHBondContact O-NZ 2.95Å; T53-K63 WeakPolarHBondContact O-CE 3.35Å; T53-K63 PolarHBondContact O-NZ 2.88Å; K63-K65 VanDerWaalsContact C-N 3.32Å; K63-K65 PolarHBondContact O-N 3.47Å; K63-M66 PolarHBondContact O-N 3.15Å; K63-V67 HydrophobicContact CG-CG2 4.46Å; K63-V67 WeakPolarHBondContact O-CB 3.43Å; K63-V67 WeakPolarHBondContact O-CG2 3.41Å; K63-V67 PolarHBondContact O-N 2.88Å; K63-A96 HydrophobicContact CD-CB 3.61Å; K63-V100 HydrophobicContact CB-CG2 4.46Å; K63-V100 HydrophobicContact CD-CG2 4.29Å; K63-V100 HydrophobicContact CG-CG2 3.93Å
64A91.9Very high87.6Confident6 Ų670.8 Ų70.85%0.0536%0.363CS..Hα-helixtrans-60-37.5178.400000113.4S62 K68 E99 V100 L103S62-A64 VanDerWaalsContact C-N 3.31Å; S62-A64 PolarHBondContact O-N 3.41Å; A64-K68 WeakPolarHBondContact O-CB 3.44Å; A64-K68 PolarHBondContact O-N 3.42Å; A64-E99 HydrophobicContact CB-CB 4.44Å; A64-E99 HydrophobicContact CB-CG 3.94Å; A64-E99 WeakPolarHBondContact CB-OE1 3.21Å; A64-E99 WeakPolarHBondContact CB-OE2 3.38Å; A64-V100 HydrophobicContact CB-CG2 3.95Å; A64-L103 HydrophobicContact CB-CD1 4.1Å
65K93.1Very high88.3Confident127 Ų12764.1 Ų64.155%0.55234%0.335SS*.Hα-helixtrans-76.8-28.7179.3-176.2169.5176.4174.70112.9L23 V61 S62 K63 Y69L23-K65 HydrophobicContact CD1-CG 4.25Å; V61-K65 HydrophobicContact CG1-CB 3.66Å; V61-K65 HydrophobicContact CG1-CD 3.79Å; V61-K65 HydrophobicContact CG1-CG 3.64Å; S62-K65 PolarHBondContact O-N 3.24Å; S62-K65 WeakPolarHBondContact OG-CB 3.31Å; K63-K65 VanDerWaalsContact C-N 3.32Å; K63-K65 PolarHBondContact O-N 3.47Å; K65-Y69 WeakPolarHBondContact O-CB 3.47Å; K65-Y69 PolarHBondContact O-N 3.49Å
66M93.3Very high89.5Confident2 Ų264.9 Ų64.91%0.0134%0.342CS..Hα-helixtrans-69.6-50.5167.8-177.661.585.500111.1V18 L23 T26 A50 S62 K63 K68 Y69 L70V18-M66 HydrophobicContact CG1-CG 4.13Å; V18-M66 HydrophobicContact CG1-SD 4.48Å; V18-M66 HydrophobicContact CG2-SD 4.24Å; L23-M66 HydrophobicContact CB-CE 4.19Å; T26-M66 HydrophobicContact CG2-SD 4.17Å; A50-M66 HydrophobicContact CB-CG 3.97Å; S62-M66 PolarHBondContact O-N 2.94Å; K63-M66 PolarHBondContact O-N 3.15Å; M66-K68 PolarHBondContact O-N 2.76Å; M66-Y69 PolarHBondContact O-N 3.36Å; M66-Y69 VanDerWaalsContact O-N 3.17Å; M66-L70 HydrophobicContact CG-CD1 4.26Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 3.17Å
67V94.7Very high90.7Very high0 Ų058.9 Ų58.90%031%0.305CS..Hα-helixtrans-57.1-48.2177.3167.90000111L47 A50 K63 Y69 L70 L71 V100 L104L47-V67 HydrophobicContact CD1-CG1 4.03Å; A50-V67 HydrophobicContact CB-CG2 3.82Å; K63-V67 HydrophobicContact CG-CG2 4.46Å; K63-V67 WeakPolarHBondContact O-CB 3.43Å; K63-V67 WeakPolarHBondContact O-CG2 3.41Å; K63-V67 PolarHBondContact O-N 2.88Å; V67-Y69 VanDerWaalsContact C-N 3.31Å; V67-Y69 PolarHBondContact O-N 2.91Å; V67-L70 PolarHBondContact O-N 2.94Å; V67-L70 VanDerWaalsContact O-N 3.16Å; V67-L71 HydrophobicContact CG1-CD1 3.73Å; V67-L71 HydrophobicContact CG1-CG 4.29Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.62Å; V67-V100 HydrophobicContact CG1-CG1 4.32Å; V67-V100 HydrophobicContact CG2-CG1 4.15Å; V67-L104 HydrophobicContact CG1-CD2 4.29Å; V67-L104 HydrophobicContact CG1-CG 4.37Å
68K95.1Very high91.4Very high97 Ų9758.1 Ų58.142%0.42230%0.302SS..Hα-helixtrans-55.3-45.1176.1-172.3173.9-170.6-74.20111.9A64 M66 L71 E72 L103A64-K68 WeakPolarHBondContact O-CB 3.44Å; A64-K68 PolarHBondContact O-N 3.42Å; M66-K68 PolarHBondContact O-N 2.76Å; K68-L71 PolarHBondContact O-N 2.75Å; K68-E72 IonicContact NZ-OE1 3.4Å; K68-E72 PolarHBondContact NZ-OE1 3.22Å; K68-E72 WeakPolarHBondContact O-CB 2.95Å; K68-E72 VanDerWaalsContact O-CG 3.23Å; K68-E72 WeakPolarHBondContact O-CG 3.46Å; K68-E72 PolarHBondContact O-N 2.67Å; K68-L103 HydrophobicContact CB-CD1 4.16Å; K68-L103 HydrophobicContact CD-CD2 4.38Å; K68-L103 HydrophobicContact CG-CD2 4.34Å
69Y95.1Very high92.3Very high21 Ų2155.1 Ų55.18%0.08228%0.275CS..Hα-helixtrans-67-37.7178.6179.3-111000112.7T26 R27 L30 K65 M66 V67 E72 N73T26-Y69 HydrophobicContact CG2-CD1 4.37Å; T26-Y69 HydrophobicContact CG2-CE1 4.17Å; R27-Y69 HydrophobicContact CG-CE1 3.64Å; R27-Y69 HydrophobicContact CG-CE2 4Å; R27-Y69 VanDerWaalsContact CG-OH 3.31Å; R27-Y69 WeakPolarHBondContact CG-OH 3.3Å; L30-Y69 HydrophobicContact CD1-CE1 3.88Å; K65-Y69 WeakPolarHBondContact O-CB 3.47Å; K65-Y69 PolarHBondContact O-N 3.49Å; M66-Y69 PolarHBondContact O-N 3.36Å; M66-Y69 VanDerWaalsContact O-N 3.17Å; V67-Y69 VanDerWaalsContact C-N 3.31Å; V67-Y69 PolarHBondContact O-N 2.91Å; Y69-E72 PolarHBondContact O-N 3.28Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.41Å; Y69-N73 PolarHBondContact O-N 3.32Å; Y69-N73 PolarHBondContact O-ND2 3.43Å; Y69-N73 PolarHBondContact OH-ND2 2.88Å
70L94.7Very high93.1Very high0 Ų052.5 Ų52.50%026%0.263CS..Hα-helixtrans-65.6-42.2174.6-66.2171.2000111.6V18 T26 L30 I36 P46 L47 A50 M66 V67 N73 K74 A75V18-L70 HydrophobicContact CG1-CD1 4.07Å; V18-L70 HydrophobicContact CG2-CD1 4.33Å; V18-L70 HydrophobicContact CG2-CD2 4.17Å; T26-L70 HydrophobicContact CG2-CD2 4.04Å; L30-L70 HydrophobicContact CD1-CD2 4.49Å; I36-L70 HydrophobicContact CD1-CB 4.48Å; I36-L70 HydrophobicContact CD1-CD2 3.68Å; P46-L70 HydrophobicContact CB-CD1 4.48Å; L47-L70 HydrophobicContact CD1-CB 4.07Å; L47-L70 HydrophobicContact CD1-CD1 4.39Å; A50-L70 HydrophobicContact CB-CD1 3.83Å; M66-L70 HydrophobicContact CG-CD1 4.26Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 3.17Å; V67-L70 PolarHBondContact O-N 2.94Å; V67-L70 VanDerWaalsContact O-N 3.16Å; L70-N73 CarbonylContact O-C 3.47Å; L70-N73 PolarHBondContact O-N 3.19Å; L70-N73 VanDerWaalsContact O-N 3.13Å; L70-K74 PolarHBondContact O-N 3.15Å; L70-A75 HydrophobicContact CB-CB 4.05Å; L70-A75 VanDerWaalsContact O-CB 3.25Å; L70-A75 WeakPolarHBondContact O-CB 3.33Å; L70-A75 PolarHBondContact O-N 3.01Å; L70-A75 VanDerWaalsContact O-N 3.08Å
71L95.3Very high93.5Very high28 Ų2851.5 Ų51.515%0.14726%0.255CS..Hα-helixtrans-66.8-37.4176.5-64.8173.9000112.6L47 V67 K68 N73 K74 L103 L104 S107L47-L71 HydrophobicContact CD1-CD2 3.88Å; L47-L71 HydrophobicContact CD1-CG 4.02Å; L47-L71 HydrophobicContact CD2-CD2 3.72Å; L47-L71 HydrophobicContact CG-CD2 4.48Å; V67-L71 HydrophobicContact CG1-CD1 3.73Å; V67-L71 HydrophobicContact CG1-CG 4.29Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.62Å; K68-L71 PolarHBondContact O-N 2.75Å; L71-N73 PolarHBondContact O-N 3.47Å; L71-K74 PolarHBondContact O-N 3.09Å; L71-L103 HydrophobicContact CD1-CB 4.22Å; L71-L104 HydrophobicContact CD1-CD2 4.23Å; L71-L104 HydrophobicContact CD2-CD2 4.37Å; L71-S107 WeakPolarHBondContact CD1-OG 3.3Å; L71-S107 VanDerWaalsContact CD2-OG 3.29Å; L71-S107 WeakPolarHBondContact CD2-OG 3.29Å
72E94.5Very high93.8Very high110 Ų11056.9 Ų56.951%0.51428%0.276SS..Hα-helixtrans-58.6-28.7170.8-77.7166.9175.100112.5K68 Y69 K74K68-E72 IonicContact NZ-OE1 3.4Å; K68-E72 PolarHBondContact NZ-OE1 3.22Å; K68-E72 WeakPolarHBondContact O-CB 2.95Å; K68-E72 VanDerWaalsContact O-CG 3.23Å; K68-E72 WeakPolarHBondContact O-CG 3.46Å; K68-E72 PolarHBondContact O-N 2.67Å; Y69-E72 PolarHBondContact O-N 3.28Å; E72-K74 VanDerWaalsContact C-N 3.34Å
73N93.9Very high93.9Very high61 Ų6155.5 Ų55.533%0.32627%0.266SS..THydrogen-bonded Turntrans-9418.8175-69.3-89.7000113.3L30 I36 Y69 L70 L71L30-N73 HydrophobicContact CD1-CB 4.13Å; I36-N73 HydrophobicContact CD1-CB 4.18Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.41Å; Y69-N73 PolarHBondContact O-N 3.32Å; Y69-N73 PolarHBondContact O-ND2 3.43Å; Y69-N73 PolarHBondContact OH-ND2 2.88Å; L70-N73 CarbonylContact O-C 3.47Å; L70-N73 PolarHBondContact O-N 3.19Å; L70-N73 VanDerWaalsContact O-N 3.13Å; L71-N73 PolarHBondContact O-N 3.47Å
74K92.6Very high94.1Very high174 Ų17453.7 Ų53.776%0.75726%0.258SS*.THydrogen-bonded Turntrans61.740.3178-49.4178.9-177.6179.50114.2L70 L71 E72L70-K74 PolarHBondContact O-N 3.15Å; L71-K74 PolarHBondContact O-N 3.09Å; E72-K74 VanDerWaalsContact C-N 3.34Å
75A94.5Very high94.3Very high5 Ų555.3 Ų55.34%0.04126%0.264CS..  trans-64.8130.3163.800000110.5I36 L47 L70 P77I36-A75 HydrophobicContact CD1-CB 4.12Å; I36-A75 HydrophobicContact CG1-CB 3.6Å; L47-A75 HydrophobicContact CB-CB 4.24Å; L47-A75 HydrophobicContact CD2-CB 4.1Å; L70-A75 HydrophobicContact CB-CB 4.05Å; L70-A75 VanDerWaalsContact O-CB 3.25Å; L70-A75 WeakPolarHBondContact O-CB 3.33Å; L70-A75 PolarHBondContact O-N 3.01Å; L70-A75 VanDerWaalsContact O-N 3.08Å; A75-P77 WeakPolarHBondContact O-CD 3.3Å
76D95Very high94.4Very high83 Ų8349.4 Ų49.444%0.44424%0.239SC..  trans-83.1117.9-176.8-71.5-60.3000111.4N37 N78 I79N37-D76 PolarHBondContact ND2-OD2 2.98Å; N37-D76 PolarHBondContact OD1-N 2.61Å; D76-N78 VanDerWaalsContact C-N 3.3Å; D76-N78 PolarHBondContact O-N 3.3Å; D76-I79 HydrophobicContact CB-CD1 3.84Å; D76-I79 HydrophobicContact CB-CG1 3.92Å
77P94.7Very high94.4Very high8 Ų849.4 Ų49.45%0.05224%0.239CC..THydrogen-bonded Turntrans-75.7-17.9-176.331.2-36.5000114.2L47 A75 L104 A109L47-P77 HydrophobicContact CD2-CB 4.08Å; A75-P77 WeakPolarHBondContact O-CD 3.3Å; P77-L104 HydrophobicContact CB-CD2 4.17Å; P77-A109 HydrophobicContact CB-CB 3.72Å; P77-A109 HydrophobicContact CG-CB 3.98Å
78N94.7Very high94.5Very high56 Ų5649.4 Ų49.430%0.29924%0.239SC..THydrogen-bonded Turntrans-92.1-3.3-172.9-69.9-17.5000114.2D76 A109 D110 L113D76-N78 VanDerWaalsContact C-N 3.3Å; D76-N78 PolarHBondContact O-N 3.3Å; N78-A109 WeakPolarHBondContact OD1-CA 3.34Å; N78-D110 PolarHBondContact ND2-OD2 2.82Å; N78-D110 PolarHBondContact OD1-N 3.09Å; N78-L113 HydrophobicContact CB-CD1 4.04Å
79I94.9Very high94.4Very high55 Ų5544.9 Ų44.928%0.28222%0.22SC..  trans-60.4142.6171-62.7174000108.7N37 T45 M48 D76 T86N37-I79 HydrophobicContact CB-CD1 3.65Å; T45-I79 HydrophobicContact CG2-CB 4.01Å; T45-I79 HydrophobicContact CG2-CD1 4.04Å; T45-I79 HydrophobicContact CG2-CG2 3.58Å; M48-I79 HydrophobicContact CE-CB 4.32Å; M48-I79 HydrophobicContact CE-CG2 4.12Å; M48-I79 WeakPolarHBondContact CE-O 3.45Å; D76-I79 HydrophobicContact CB-CD1 3.84Å; D76-I79 HydrophobicContact CB-CG1 3.92Å; I79-T86 WeakPolarHBondContact O-CA 3.32Å
80Q94.8Very high94.4Very high85 Ų8544.4 Ų44.440%0.39722%0.218SC..BIsolated β-bridgetrans-109.8141.9177.3-67.3178.6-71.900110.6G84 K85 T86 Q114Q80-G84 WeakPolarHBondContact CG-O 3.47Å; Q80-G84 PolarHBondContact NE2-O 2.83Å; Q80-K85 WeakPolarHBondContact CA-O 3.39Å; Q80-T86 HydrophobicContact CG-CG2 3.81Å; Q80-Q114 PolarHBondContact NE2-O 2.89Å
81D93.8Very high94.3Very high13 Ų1344.4 Ų44.47%0.0722%0.218CC..  trans-78-178.1171.470.920.3000112.4E44 M48 S83 G84 K85 H90E44-D81 HydrophobicContact CG-CB 4.41Å; M48-D81 HydrophobicContact CE-CB 4.33Å; M48-D81 HydrophobicContact SD-CB 3.97Å; D81-S83 PolarHBondContact O-N 3.04Å; D81-S83 VanDerWaalsContact O-N 3.09Å; D81-S83 VanDerWaalsContact OD1-CA 3.26Å; D81-S83 WeakPolarHBondContact OD1-CA 3.28Å; D81-S83 WeakPolarHBondContact OD1-CB 3.49Å; D81-S83 PolarHBondContact OD1-N 2.98Å; D81-S83 PolarHBondContact OD1-OG 2.54Å; D81-S83 PolarHBondContact OD2-OG 3.48Å; D81-G84 PolarHBondContact O-N 3.22Å; D81-G84 PolarHBondContact OD1-N 3Å; D81-G84 VanDerWaalsContact OD1-N 3.15Å; D81-K85 PolarHBondContact N-O 3.05Å; D81-K85 PolarHBondContact OD1-N 3.29Å; D81-H90 IonicContact OD2-CD2 2.72Å; D81-H90 IonicContact OD2-CE1 2.75Å; D81-H90 PolarHBondContact OD2-CE1 3.49Å; D81-H90 IonicContact OD2-NE2 2.62Å; D81-H90 PolarHBondContact OD2-NE2 3.33Å
82K94.1Very high94.2Very high148 Ų14843.1 Ų43.164%0.64321%0.211SC*.THydrogen-bonded Turntrans-64.3-12.4178.8-71.5-176.5-179.3177.10114.3D41 R42 H116D41-K82 WeakPolarHBondContact O-CD 3.45Å; D41-K82 VanDerWaalsContact O-CE 3.22Å; D41-K82 WeakPolarHBondContact O-CE 3.42Å; D41-K82 PolarHBondContact O-NZ 3.06Å; R42-K82 VanDerWaalsContact O-CB 3.3Å; R42-K82 WeakPolarHBondContact O-CB 3.47Å; R42-K82 WeakPolarHBondContact O-CG 3.44Å; R42-K82 PolarHBondContact O-N 2.94Å; K82-H116 PolarHBondContact O-CE1 2.73Å; K82-H116 PolarHBondContact O-ND1 3.44Å
83S92.8Very high94Very high48 Ų4841.3 Ų41.334%0.33621%0.205SC..THydrogen-bonded Turntrans-95.10.2170.872.40000113.6D81 K85 H116D81-S83 PolarHBondContact O-N 3.04Å; D81-S83 VanDerWaalsContact O-N 3.09Å; D81-S83 VanDerWaalsContact OD1-CA 3.26Å; D81-S83 WeakPolarHBondContact OD1-CA 3.28Å; D81-S83 WeakPolarHBondContact OD1-CB 3.49Å; D81-S83 PolarHBondContact OD1-N 2.98Å; D81-S83 PolarHBondContact OD1-OG 2.54Å; D81-S83 PolarHBondContact OD2-OG 3.48Å; S83-K85 WeakPolarHBondContact OG-CD 3.31Å; S83-K85 VanDerWaalsContact OG-CE 3.29Å; S83-K85 WeakPolarHBondContact OG-CE 3.43Å; S83-K85 WeakPolarHBondContact OG-CG 3.39Å; S83-H116 WeakPolarHBondContact O-CB 3.49Å; S83-H116 PolarHBondContact O-N 3.38Å; S83-H116 PolarHBondContact O-ND1 3.16Å
84G93.5Very high93.9Very high0 Ų040 Ų400%020%0.197CC..SBendtrans86.36.9-17700000113.6Q80 D81 D115 H116Q80-G84 WeakPolarHBondContact CG-O 3.47Å; Q80-G84 PolarHBondContact NE2-O 2.83Å; D81-G84 PolarHBondContact O-N 3.22Å; D81-G84 PolarHBondContact OD1-N 3Å; D81-G84 VanDerWaalsContact OD1-N 3.15Å; G84-D115 WeakPolarHBondContact O-CA 3.27Å; G84-H116 PolarHBondContact N-ND1 3Å
85K94.6Very high93.7Very high41 Ų4137.3 Ų37.318%0.17819%0.185CC..  trans-90.2133.5-169.9-63179.4-159.7-155.80112.1M48 Q80 D81 S83 M89 D115 Y124M48-K85 WeakPolarHBondContact CE-O 3.41Å; Q80-K85 WeakPolarHBondContact CA-O 3.39Å; D81-K85 PolarHBondContact N-O 3.05Å; D81-K85 PolarHBondContact OD1-N 3.29Å; S83-K85 WeakPolarHBondContact OG-CD 3.31Å; S83-K85 VanDerWaalsContact OG-CE 3.29Å; S83-K85 WeakPolarHBondContact OG-CE 3.43Å; S83-K85 WeakPolarHBondContact OG-CG 3.39Å; K85-M89 HydrophobicContact CB-CB 4.32Å; K85-M89 HydrophobicContact CB-SD 4.07Å; K85-M89 HydrophobicContact CG-SD 4.15Å; K85-D115 VanDerWaalsContact CE-OD2 3.3Å; K85-D115 WeakPolarHBondContact CE-OD2 3.19Å; K85-D115 HydrophobicContact CG-CB 3.69Å; K85-D115 IonicContact NZ-OD2 3.37Å; K85-Y124 VanDerWaalsContact CE-OH 3.25Å; K85-Y124 WeakPolarHBondContact CE-OH 3.47Å; K85-Y124 PolarHBondContact NZ-OH 3.45Å
86T95.3Very high93.3Very high3 Ų337.9 Ų37.92%0.01819%0.189CC..BIsolated β-bridgetrans-86.7166.8176.465.90000111.7I79 Q80 L88 M89 H90 L113I79-T86 WeakPolarHBondContact O-CA 3.32Å; Q80-T86 HydrophobicContact CG-CG2 3.81Å; T86-L88 PolarHBondContact O-N 3.4Å; T86-M89 HydrophobicContact CG2-CE 4.38Å; T86-M89 PolarHBondContact O-N 3.42Å; T86-M89 VanDerWaalsContact O-N 3.15Å; T86-M89 PolarHBondContact OG1-N 3.02Å; T86-H90 PolarHBondContact O-CD2 2.92Å; T86-H90 VanDerWaalsContact O-CD2 3.31Å; T86-H90 PolarHBondContact O-N 3.46Å; T86-H90 VanDerWaalsContact O-N 3.12Å; T86-L113 HydrophobicContact CG2-CB 4.13Å; T86-L113 HydrophobicContact CG2-CD1 3.74Å
87A95Very high92.9Very high1 Ų134.9 Ų34.91%0.00818%0.179CC..Hα-helixtrans-56.4-32.7174.400000112.7L47 M48 A91 L104L47-A87 HydrophobicContact CD2-CB 3.99Å; L47-A87 HydrophobicContact CG-CB 3.91Å; M48-A87 HydrophobicContact CG-CB 3.98Å; A87-A91 WeakPolarHBondContact O-CB 3.48Å; A87-A91 PolarHBondContact O-N 3.22Å; A87-L104 HydrophobicContact CB-CD2 4.26Å
88L95.1Very high92.8Very high1 Ų137.4 Ų37.41%0.00520%0.195CC..Hα-helixtrans-73.7-37.5178.6-162.7152.9000112.4T86 A91 C92 L104 L105 A109 A121 L137T86-L88 PolarHBondContact O-N 3.4Å; L88-A91 WeakPolarHBondContact O-CB 3.31Å; L88-A91 PolarHBondContact O-N 3.12Å; L88-C92 PolarHBondContact O-N 3.19Å; L88-C92 PolarHBondContact O-SG 2.97Å; L88-L104 HydrophobicContact CB-CD1 4.26Å; L88-L104 HydrophobicContact CD1-CB 4.14Å; L88-L104 HydrophobicContact CG-CD1 4.42Å; L88-L105 HydrophobicContact CD1-CD2 3.63Å; L88-L105 HydrophobicContact CD1-CG 3.77Å; L88-A109 HydrophobicContact CB-CB 4.38Å; L88-A109 HydrophobicContact CD1-CB 3.58Å; L88-A121 HydrophobicContact CD2-CB 3.3Å; L88-L137 HydrophobicContact CD2-CD1 3.93Å
89M94.8Very high92.7Very high2 Ų240.4 Ų40.41%0.0121%0.207CC..Hα-helixtrans-62.5-43.6172.2-65.5170.6-173.400111.7K85 T86 A91 C92 L93 L113 D115 A121 Y124K85-M89 HydrophobicContact CB-CB 4.32Å; K85-M89 HydrophobicContact CB-SD 4.07Å; K85-M89 HydrophobicContact CG-SD 4.15Å; T86-M89 HydrophobicContact CG2-CE 4.38Å; T86-M89 PolarHBondContact O-N 3.42Å; T86-M89 VanDerWaalsContact O-N 3.15Å; T86-M89 PolarHBondContact OG1-N 3.02Å; M89-A91 VanDerWaalsContact C-N 3.31Å; M89-A91 PolarHBondContact O-N 3.39Å; M89-C92 PolarHBondContact O-N 3.31Å; M89-L93 WeakPolarHBondContact O-CB 3.49Å; M89-L93 PolarHBondContact O-N 3.15Å; M89-L113 VanDerWaalsContact CE-C 3.44Å; M89-L113 HydrophobicContact CE-CB 4.29Å; M89-L113 WeakPolarHBondContact CE-O 3.33Å; M89-D115 HydrophobicContact CE-CB 4.49Å; M89-D115 HydrophobicContact SD-CB 4.03Å; M89-A121 HydrophobicContact CG-CB 4.23Å; M89-Y124 HydrophobicContact CB-CD2 4.04Å; M89-Y124 HydrophobicContact CB-CE2 4.35Å; M89-Y124 HydrophobicContact CG-CD2 4.14Å; M89-Y124 HydrophobicContact CG-CE2 4.42Å; M89-Y124 HydrophobicContact SD-CE2 4.41Å
90H93.3Very high92.6Very high11 Ų1137.9 Ų37.95%0.05119%0.194CC..Hα-helixtrans-61.9-37173.7-77.8-65.6000112.4C51 R52 D81 T86 L93 E94C51-H90 HydrophobicContact CB-CB 4.33Å; R52-H90 WeakPolarHBondContact CD-ND1 3.47Å; R52-H90 HydrophobicContact CG-CB 3.95Å; D81-H90 IonicContact OD2-CD2 2.72Å; D81-H90 IonicContact OD2-CE1 2.75Å; D81-H90 PolarHBondContact OD2-CE1 3.49Å; D81-H90 IonicContact OD2-NE2 2.62Å; D81-H90 PolarHBondContact OD2-NE2 3.33Å; T86-H90 PolarHBondContact O-CD2 2.92Å; T86-H90 VanDerWaalsContact O-CD2 3.31Å; T86-H90 PolarHBondContact O-N 3.46Å; T86-H90 VanDerWaalsContact O-N 3.12Å; H90-L93 PolarHBondContact O-N 3.07Å; H90-E94 WeakPolarHBondContact O-CB 3.41Å; H90-E94 PolarHBondContact O-N 3.22Å
91A92.9Very high92.6Very high0 Ų033.9 Ų33.90%018%0.175CC..Hα-helixtrans-64.8-36.7175.500000113.1C51 A87 L88 M89 A96 V100 I101 L104C51-A91 HydrophobicContact CB-CB 4.08Å; A87-A91 WeakPolarHBondContact O-CB 3.48Å; A87-A91 PolarHBondContact O-N 3.22Å; L88-A91 WeakPolarHBondContact O-CB 3.31Å; L88-A91 PolarHBondContact O-N 3.12Å; M89-A91 VanDerWaalsContact C-N 3.31Å; M89-A91 PolarHBondContact O-N 3.39Å; A91-A96 HydrophobicContact CB-CB 3.88Å; A91-A96 VanDerWaalsContact O-CB 3.26Å; A91-A96 WeakPolarHBondContact O-CB 3.38Å; A91-A96 PolarHBondContact O-N 3.32Å; A91-V100 HydrophobicContact CB-CG1 4.17Å; A91-I101 HydrophobicContact CB-CG1 3.99Å; A91-L104 HydrophobicContact CB-CD1 3.83Å
92C92.9Very high92.6Very high1 Ų134.7 Ų34.71%0.00718%0.182CC..Hα-helixtrans-70.1-50172.8-65.90000111.8L88 M89 E94 K95 A125L88-C92 PolarHBondContact O-N 3.19Å; L88-C92 PolarHBondContact O-SG 2.97Å; M89-C92 PolarHBondContact O-N 3.31Å; C92-E94 PolarHBondContact O-N 3.04Å; C92-K95 PolarHBondContact O-N 2.97Å; C92-A125 HydrophobicContact CB-CB 4.33Å
93L91.6Very high92.7Very high72 Ų7229 Ų2938%0.37716%0.159SC..Hα-helixtrans-60.3-41.8-177.3-173.8154.1000112.7M89 H90 K95 Y124M89-L93 WeakPolarHBondContact O-CB 3.49Å; M89-L93 PolarHBondContact O-N 3.15Å; H90-L93 PolarHBondContact O-N 3.07Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-K95 PolarHBondContact O-N 3.46Å; L93-Y124 HydrophobicContact CB-CD1 4.26Å; L93-Y124 HydrophobicContact CD1-CD1 3.96Å; L93-Y124 HydrophobicContact CD1-CE1 3.79Å; L93-Y124 HydrophobicContact CG-CD1 4.45Å
94E90.2Very high92.7Very high34 Ų3426.8 Ų26.816%0.15914%0.143CC..THydrogen-bonded Turntrans-94.517.5-175.7-62.3-81-152.300113.5R52 K54 H90 C92 A96R52-E94 HydrophobicContact CB-CG 4.14Å; R52-E94 HydrophobicContact CG-CG 3.97Å; R52-E94 IonicContact NE-OE1 2.67Å; K54-E94 WeakPolarHBondContact CE-OE2 3.23Å; K54-E94 IonicContact NZ-OE2 3.81Å; K54-E94 PolarHBondContact NZ-OE2 2.98Å; H90-E94 WeakPolarHBondContact O-CB 3.41Å; H90-E94 PolarHBondContact O-N 3.22Å; C92-E94 PolarHBondContact O-N 3.04Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 3.32Å
95K88.6Confident92.7Very high117 Ų11727.9 Ų27.951%0.50915%0.149SC..THydrogen-bonded Turntrans49.146.5179.4-54.6-152.1161.9-149.30113.4C92 L93 G97 S128 D130C92-K95 PolarHBondContact O-N 2.97Å; L93-K95 VanDerWaalsContact C-N 3.33Å; L93-K95 PolarHBondContact O-N 3.46Å; K95-G97 PolarHBondContact O-N 2.93Å; K95-S128 WeakPolarHBondContact CE-O 3.42Å; K95-S128 PolarHBondContact NZ-O 3.39Å; K95-D130 WeakPolarHBondContact CD-OD1 3.31Å; K95-D130 VanDerWaalsContact CD-OD2 3.23Å; K95-D130 WeakPolarHBondContact CD-OD2 3.37Å; K95-D130 WeakPolarHBondContact CE-OD1 3.31Å; K95-D130 WeakPolarHBondContact CE-OD2 3.4Å; K95-D130 WeakPolarHBondContact CG-OD2 3.47Å; K95-D130 VanDerWaalsContact NZ-CG 3.32Å; K95-D130 IonicContact NZ-OD1 2.77Å; K95-D130 PolarHBondContact NZ-OD1 3.36Å; K95-D130 IonicContact NZ-OD2 3.55Å; K95-D130 PolarHBondContact NZ-OD2 3.09Å
96A86.3Confident92.6Very high16 Ų1634.1 Ų34.113%0.13218%0.176CC..  trans-65.6-11.5-173.100000114.8K63 A91 E94 V100K63-A96 HydrophobicContact CD-CB 3.61Å; A91-A96 HydrophobicContact CB-CB 3.88Å; A91-A96 VanDerWaalsContact O-CB 3.26Å; A91-A96 WeakPolarHBondContact O-CB 3.38Å; A91-A96 PolarHBondContact O-N 3.32Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 3.32Å; A96-V100 HydrophobicContact CB-CB 4.05Å; A96-V100 HydrophobicContact CB-CG1 3.91Å; A96-V100 HydrophobicContact CB-CG2 4.26Å; A96-V100 WeakPolarHBondContact O-CG2 3.37Å
97G88Confident92.5Very high21 Ų2136.1 Ų36.122%0.21619%0.19CC..  trans96154.817700000113.7K95 E99 V100 I101K95-G97 PolarHBondContact O-N 2.93Å; G97-E99 VanDerWaalsContact C-N 3.26Å; G97-E99 PolarHBondContact O-N 3.34Å; G97-V100 PolarHBondContact O-N 3.15Å; G97-I101 PolarHBondContact O-N 3.08Å
98P90.9Very high92.2Very high60 Ų6037.7 Ų37.739%0.3921%0.206SC..Hα-helixtrans-64.9-27.8-175.726.1-34.4000112.9I101 S102 V136P98-I101 PolarHBondContact O-N 2.98Å; P98-S102 WeakPolarHBondContact O-CB 3.49Å; P98-S102 PolarHBondContact O-N 3.17Å; P98-V136 HydrophobicContact CB-CG2 4.11Å
99E92.8Very high92.1Very high120 Ų12037.6 Ų37.656%0.56121%0.206SC*.Hα-helixtrans-59.7-51.5174.7-171-170.2176.300111.2A64 G97 I101 S102 L103A64-E99 HydrophobicContact CB-CB 4.44Å; A64-E99 HydrophobicContact CB-CG 3.94Å; A64-E99 WeakPolarHBondContact CB-OE1 3.21Å; A64-E99 WeakPolarHBondContact CB-OE2 3.38Å; G97-E99 VanDerWaalsContact C-N 3.26Å; G97-E99 PolarHBondContact O-N 3.34Å; E99-I101 VanDerWaalsContact C-N 3.34Å; E99-I101 PolarHBondContact O-N 3.36Å; E99-S102 PolarHBondContact O-N 3.31Å; E99-S102 VanDerWaalsContact O-N 3.15Å; E99-S102 PolarHBondContact O-OG 2.82Å; E99-L103 HydrophobicContact CG-CD1 4.3Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 3.43Å
100V93.9Very high91.9Very high2 Ų239.8 Ų39.81%0.01222%0.218CC..Hα-helixtrans-59.4-44.8179.8174.60000111.1K63 A64 V67 A91 A96 G97 L103 L104K63-V100 HydrophobicContact CB-CG2 4.46Å; K63-V100 HydrophobicContact CD-CG2 4.29Å; K63-V100 HydrophobicContact CG-CG2 3.93Å; A64-V100 HydrophobicContact CB-CG2 3.95Å; V67-V100 HydrophobicContact CG1-CG1 4.32Å; V67-V100 HydrophobicContact CG2-CG1 4.15Å; A91-V100 HydrophobicContact CB-CG1 4.17Å; A96-V100 HydrophobicContact CB-CB 4.05Å; A96-V100 HydrophobicContact CB-CG1 3.91Å; A96-V100 HydrophobicContact CB-CG2 4.26Å; A96-V100 WeakPolarHBondContact O-CG2 3.37Å; G97-V100 PolarHBondContact O-N 3.15Å; V100-L103 PolarHBondContact O-N 3.16Å; V100-L104 HydrophobicContact CG1-CD1 4.09Å; V100-L104 WeakPolarHBondContact O-CG 3.34Å; V100-L104 PolarHBondContact O-N 3.34Å
101I94.5Very high91.8Very high0 Ų039.6 Ų39.60%022%0.217CC..Hα-helixtrans-65.7-40.1178.4-68.4166.1000110.4A91 G97 P98 E99 L103 L104 L105 T133 V136A91-I101 HydrophobicContact CB-CG1 3.99Å; G97-I101 PolarHBondContact O-N 3.08Å; P98-I101 PolarHBondContact O-N 2.98Å; E99-I101 VanDerWaalsContact C-N 3.34Å; E99-I101 PolarHBondContact O-N 3.36Å; I101-L103 VanDerWaalsContact C-N 3.32Å; I101-L103 PolarHBondContact O-N 2.99Å; I101-L104 PolarHBondContact O-N 3.17Å; I101-L105 HydrophobicContact CG2-CD1 3.67Å; I101-L105 HydrophobicContact CG2-CG 4.41Å; I101-L105 WeakPolarHBondContact O-CB 3.44Å; I101-L105 WeakPolarHBondContact O-CD1 3.21Å; I101-L105 VanDerWaalsContact O-CG 3.24Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 2.82Å; I101-T133 HydrophobicContact CD1-CG2 3.76Å; I101-V136 HydrophobicContact CG2-CG1 4.17Å
102S94.1Very high91.5Very high31 Ų3143.9 Ų43.922%0.21725%0.247CC..Hα-helixtrans-64.2-34174.785.60000113.2P98 E99 K106P98-S102 WeakPolarHBondContact O-CB 3.49Å; P98-S102 PolarHBondContact O-N 3.17Å; E99-S102 PolarHBondContact O-N 3.31Å; E99-S102 VanDerWaalsContact O-N 3.15Å; E99-S102 PolarHBondContact O-OG 2.82Å; S102-K106 WeakPolarHBondContact O-CB 3.22Å; S102-K106 WeakPolarHBondContact O-CD 3.37Å; S102-K106 WeakPolarHBondContact O-CG 3.47Å; S102-K106 PolarHBondContact O-N 3.34Å
103L95Very high91.4Very high29 Ų2946.2 Ų46.215%0.15226%0.259CS..Hα-helixtrans-69.3-46.6176.3-72.2166.4000111.2A64 K68 L71 E99 V100 I101 L105 K106 S107A64-L103 HydrophobicContact CB-CD1 4.1Å; K68-L103 HydrophobicContact CB-CD1 4.16Å; K68-L103 HydrophobicContact CD-CD2 4.38Å; K68-L103 HydrophobicContact CG-CD2 4.34Å; L71-L103 HydrophobicContact CD1-CB 4.22Å; E99-L103 HydrophobicContact CG-CD1 4.3Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 3.43Å; V100-L103 PolarHBondContact O-N 3.16Å; I101-L103 VanDerWaalsContact C-N 3.32Å; I101-L103 PolarHBondContact O-N 2.99Å; L103-L105 PolarHBondContact O-N 2.9Å; L103-K106 PolarHBondContact O-N 3.28Å; L103-S107 PolarHBondContact O-N 3.28Å; L103-S107 PolarHBondContact O-OG 2.78Å
104L94.5Very high91.4Very high0 Ų047.6 Ų47.60%026%0.264CS..Hα-helixtrans-60.6-44.7176.2-69.9166.7000111.7L47 V67 L71 P77 A87 L88 A91 V100 I101 K106 S107 G108 A109L47-L104 HydrophobicContact CD1-CD2 4.18Å; L47-L104 HydrophobicContact CD2-CD2 4.03Å; L47-L104 HydrophobicContact CG-CD2 4.22Å; V67-L104 HydrophobicContact CG1-CD2 4.29Å; V67-L104 HydrophobicContact CG1-CG 4.37Å; L71-L104 HydrophobicContact CD1-CD2 4.23Å; L71-L104 HydrophobicContact CD2-CD2 4.37Å; P77-L104 HydrophobicContact CB-CD2 4.17Å; A87-L104 HydrophobicContact CB-CD2 4.26Å; L88-L104 HydrophobicContact CB-CD1 4.26Å; L88-L104 HydrophobicContact CD1-CB 4.14Å; L88-L104 HydrophobicContact CG-CD1 4.42Å; A91-L104 HydrophobicContact CB-CD1 3.83Å; V100-L104 HydrophobicContact CG1-CD1 4.09Å; V100-L104 WeakPolarHBondContact O-CG 3.34Å; V100-L104 PolarHBondContact O-N 3.34Å; I101-L104 PolarHBondContact O-N 3.17Å; L104-K106 VanDerWaalsContact C-N 3.35Å; L104-K106 PolarHBondContact O-N 3.25Å; L104-S107 WeakPolarHBondContact CA-OG 3.37Å; L104-S107 CarbonylContact O-C 3.53Å; L104-S107 PolarHBondContact O-N 3.08Å; L104-S107 PolarHBondContact O-OG 3.44Å; L104-G108 PolarHBondContact O-N 2.84Å; L104-A109 VanDerWaalsContact C-CB 3.49Å; L104-A109 HydrophobicContact CB-CB 3.98Å; L104-A109 WeakPolarHBondContact O-CB 3.37Å; L104-A109 PolarHBondContact O-N 2.95Å
105L93.4Very high91.5Very high24 Ų2446.2 Ų46.213%0.12626%0.258CS..Hα-helixtrans-64.1-38.9177.5-70.3163.1000111.9L88 I101 L103 S107 G108 V136 L137 A140L88-L105 HydrophobicContact CD1-CD2 3.63Å; L88-L105 HydrophobicContact CD1-CG 3.77Å; I101-L105 HydrophobicContact CG2-CD1 3.67Å; I101-L105 HydrophobicContact CG2-CG 4.41Å; I101-L105 WeakPolarHBondContact O-CB 3.44Å; I101-L105 WeakPolarHBondContact O-CD1 3.21Å; I101-L105 VanDerWaalsContact O-CG 3.24Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 2.82Å; L103-L105 PolarHBondContact O-N 2.9Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 3.4Å; L105-G108 PolarHBondContact O-N 3.02Å; L105-G108 VanDerWaalsContact O-N 3.16Å; L105-V136 HydrophobicContact CD1-CG1 4.04Å; L105-L137 HydrophobicContact CD1-CD1 4.27Å; L105-L137 HydrophobicContact CD2-CD1 4.2Å; L105-A140 HydrophobicContact CB-CB 4.49Å; L105-A140 HydrophobicContact CD1-CB 3.68Å; L105-A140 HydrophobicContact CD2-CB 3.89Å; L105-A140 HydrophobicContact CG-CB 4.23Å
106K92.3Very high91.8Very high171 Ų17147.5 Ų47.574%0.74327%0.265SS*.Hα-helixtrans-66.4-28.8173.8-75.9167-176.4170.10113.2S102 L103 L104 G108S102-K106 WeakPolarHBondContact O-CB 3.22Å; S102-K106 WeakPolarHBondContact O-CD 3.37Å; S102-K106 WeakPolarHBondContact O-CG 3.47Å; S102-K106 PolarHBondContact O-N 3.34Å; L103-K106 PolarHBondContact O-N 3.28Å; L104-K106 VanDerWaalsContact C-N 3.35Å; L104-K106 PolarHBondContact O-N 3.25Å; K106-G108 PolarHBondContact O-N 2.88Å
107S91.8Very high92Very high46 Ų4650.1 Ų50.132%0.32228%0.282SS..THydrogen-bonded Turntrans-86.317.4172.4660000113.6L71 L103 L104 L105L71-S107 WeakPolarHBondContact CD1-OG 3.3Å; L71-S107 VanDerWaalsContact CD2-OG 3.29Å; L71-S107 WeakPolarHBondContact CD2-OG 3.29Å; L103-S107 PolarHBondContact O-N 3.28Å; L103-S107 PolarHBondContact O-OG 2.78Å; L104-S107 WeakPolarHBondContact CA-OG 3.37Å; L104-S107 CarbonylContact O-C 3.53Å; L104-S107 PolarHBondContact O-N 3.08Å; L104-S107 PolarHBondContact O-OG 3.44Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 3.4Å
108G89.8Confident92.1Very high33 Ų3354.9 Ų54.934%0.3430%0.303SS..THydrogen-bonded Turntrans84.413174.200000115.9L104 L105 K106 D110 R144L104-G108 PolarHBondContact O-N 2.84Å; L105-G108 PolarHBondContact O-N 3.02Å; L105-G108 VanDerWaalsContact O-N 3.16Å; K106-G108 PolarHBondContact O-N 2.88Å; G108-D110 PolarHBondContact O-N 3Å; G108-R144 VanDerWaalsContact C-NH2 3.35Å; G108-R144 PolarHBondContact O-NH2 2.77Å
109A93.7Very high92.1Very high0 Ų053.4 Ų53.40%029%0.293CS..  trans-57.8128.4176.600000111.8P77 N78 L88 L104 P111 R144P77-A109 HydrophobicContact CB-CB 3.72Å; P77-A109 HydrophobicContact CG-CB 3.98Å; N78-A109 WeakPolarHBondContact OD1-CA 3.34Å; L88-A109 HydrophobicContact CB-CB 4.38Å; L88-A109 HydrophobicContact CD1-CB 3.58Å; L104-A109 VanDerWaalsContact C-CB 3.49Å; L104-A109 HydrophobicContact CB-CB 3.98Å; L104-A109 WeakPolarHBondContact O-CB 3.37Å; L104-A109 PolarHBondContact O-N 2.95Å; A109-P111 WeakPolarHBondContact O-CD 3.26Å; A109-R144 VanDerWaalsContact C-NH2 3.3Å; A109-R144 PolarHBondContact O-NH2 3.44Å
110D90.4Very high92Very high48 Ų4848.8 Ų48.826%0.25727%0.274SS..  trans-91.4110.8-174.8-68.9-39.4000111.4N78 G108 S112 L113 R144N78-D110 PolarHBondContact ND2-OD2 2.82Å; N78-D110 PolarHBondContact OD1-N 3.09Å; G108-D110 PolarHBondContact O-N 3Å; D110-S112 PolarHBondContact O-N 2.84Å; D110-L113 HydrophobicContact CB-CD1 3.94Å; D110-L113 HydrophobicContact CB-CG 3.99Å; D110-R144 IonicContact OD1-CZ 3.61Å; D110-R144 IonicContact OD1-NH1 3.08Å; D110-R144 PolarHBondContact OD1-NH1 2.78Å; D110-R144 IonicContact OD1-NH2 3.57Å; D110-R144 PolarHBondContact OD1-NH2 3.32Å
111P89.4Confident91.9Very high7 Ų748.8 Ų48.85%0.04528%0.275CS..THydrogen-bonded Turntrans-77.7-9.2-176.334.1-37.8000113.5A109 L137 C141A109-P111 WeakPolarHBondContact O-CD 3.26Å; P111-L137 HydrophobicContact CB-CD1 3.67Å; P111-C141 WeakPolarHBondContact CG-SG 3.27Å
112S87.8Confident91.7Very high89 Ų8950.8 Ų50.862%0.62229%0.285SS*.THydrogen-bonded Turntrans-81.7-15.3177.748.20000113.8D110D110-S112 PolarHBondContact O-N 2.84Å
113L90.1Very high91.5Very high50 Ų5051.8 Ų51.826%0.26229%0.29SS..  trans-61.3147.2175.2-67.9171.8000110.5N78 T86 M89 D110 S120N78-L113 HydrophobicContact CB-CD1 4.04Å; T86-L113 HydrophobicContact CG2-CB 4.13Å; T86-L113 HydrophobicContact CG2-CD1 3.74Å; M89-L113 VanDerWaalsContact CE-C 3.44Å; M89-L113 HydrophobicContact CE-CB 4.29Å; M89-L113 WeakPolarHBondContact CE-O 3.33Å; D110-L113 HydrophobicContact CB-CD1 3.94Å; D110-L113 HydrophobicContact CB-CG 3.99Å; L113-S120 WeakPolarHBondContact O-CA 3.38Å
114Q92.3Very high91.4Very high102 Ų10251.6 Ų51.648%0.47729%0.287SS..BIsolated β-bridgetrans-126.7146.2-178.5-63.71791800109.8Q80 C119Q80-Q114 PolarHBondContact NE2-O 2.89Å; Q114-C119 WeakPolarHBondContact CA-O 3.36Å
115D93.1Very high91.2Very high5 Ų551.6 Ų51.63%0.02729%0.287CS..  trans-85-178175.673.112.3000112.8G84 K85 M89 S117 N118 C119 Y124G84-D115 WeakPolarHBondContact O-CA 3.27Å; K85-D115 VanDerWaalsContact CE-OD2 3.3Å; K85-D115 WeakPolarHBondContact CE-OD2 3.19Å; K85-D115 HydrophobicContact CG-CB 3.69Å; K85-D115 IonicContact NZ-OD2 3.37Å; M89-D115 HydrophobicContact CE-CB 4.49Å; M89-D115 HydrophobicContact SD-CB 4.03Å; D115-S117 VanDerWaalsContact CG-OG 3.31Å; D115-S117 PolarHBondContact O-N 3.35Å; D115-S117 VanDerWaalsContact OD1-CA 3.3Å; D115-S117 WeakPolarHBondContact OD1-CA 3.38Å; D115-S117 WeakPolarHBondContact OD1-CB 3.37Å; D115-S117 PolarHBondContact OD1-N 3.45Å; D115-S117 PolarHBondContact OD1-OG 2.78Å; D115-S117 PolarHBondContact OD2-OG 3.4Å; D115-N118 WeakPolarHBondContact O-CA 3.38Å; D115-N118 PolarHBondContact O-N 2.62Å; D115-N118 PolarHBondContact OD1-N 2.96Å; D115-C119 PolarHBondContact N-O 2.91Å; D115-C119 WeakPolarHBondContact OD1-CB 3.25Å; D115-C119 PolarHBondContact OD1-N 3.32Å; D115-Y124 WeakPolarHBondContact OD2-CE2 3.37Å; D115-Y124 PolarHBondContact OD2-OH 2.84Å
116H93.3Very high91Very high143 Ų14355.1 Ų55.166%0.66231%0.305SS*.THydrogen-bonded Turntrans-67.1-4.7179.7-61.9150.4000114.3K82 S83 G84K82-H116 PolarHBondContact O-CE1 2.73Å; K82-H116 PolarHBondContact O-ND1 3.44Å; S83-H116 WeakPolarHBondContact O-CB 3.49Å; S83-H116 PolarHBondContact O-N 3.38Å; S83-H116 PolarHBondContact O-ND1 3.16Å; G84-H116 PolarHBondContact N-ND1 3Å
117S91.4Very high90.9Very high71 Ų7152.5 Ų52.550%0.49730%0.299SS..THydrogen-bonded Turntrans-1019.5168.558.60000113.6D115 C119D115-S117 VanDerWaalsContact CG-OG 3.31Å; D115-S117 PolarHBondContact O-N 3.35Å; D115-S117 VanDerWaalsContact OD1-CA 3.3Å; D115-S117 WeakPolarHBondContact OD1-CA 3.38Å; D115-S117 WeakPolarHBondContact OD1-CB 3.37Å; D115-S117 PolarHBondContact OD1-N 3.45Å; D115-S117 PolarHBondContact OD1-OG 2.78Å; D115-S117 PolarHBondContact OD2-OG 3.4Å; S117-C119 PolarHBondContact O-N 2.8Å
118N90.6Very high90.6Very high122 Ų12251 Ų5165%0.65229%0.289SS*.  trans61.316.5-171.9-47-69.4000113.8D115D115-N118 WeakPolarHBondContact O-CA 3.38Å; D115-N118 PolarHBondContact O-N 2.62Å; D115-N118 PolarHBondContact OD1-N 2.96Å
119C90Very high90.5Very high28 Ų2857.2 Ų57.219%0.18931%0.309CS..  trans-80.8124.4176.6-71.70000109.8Q114 D115 S117 V123 Y124Q114-C119 WeakPolarHBondContact CA-O 3.36Å; D115-C119 PolarHBondContact N-O 2.91Å; D115-C119 WeakPolarHBondContact OD1-CB 3.25Å; D115-C119 PolarHBondContact OD1-N 3.32Å; S117-C119 PolarHBondContact O-N 2.8Å; C119-V123 HydrophobicContact CB-CB 4.36Å; C119-V123 HydrophobicContact CB-CG1 4.4Å; C119-Y124 HydrophobicContact CB-CD2 4.29Å; C119-Y124 HydrophobicContact CB-CE2 3.55Å
120S90.8Very high90.2Very high23 Ų2359 Ų5916%0.16132%0.318CS..BIsolated β-bridgetrans-88.2169.317071.60000111.4L113 L122 V123 Y124L113-S120 WeakPolarHBondContact O-CA 3.38Å; S120-L122 PolarHBondContact O-N 3.02Å; S120-V123 WeakPolarHBondContact O-CB 3.48Å; S120-V123 PolarHBondContact O-N 3.33Å; S120-Y124 WeakPolarHBondContact O-CD2 3.37Å; S120-Y124 PolarHBondContact O-N 3.09Å
121A91Very high90.2Very high2 Ų264.3 Ų64.32%0.01734%0.339CS..Hα-helixtrans-55.7-32.3174.900000113.9L88 M89 Y124 A125 L137L88-A121 HydrophobicContact CD2-CB 3.3Å; M89-A121 HydrophobicContact CG-CB 4.23Å; A121-Y124 PolarHBondContact O-N 3.5Å; A121-A125 PolarHBondContact O-N 3.26Å; A121-L137 HydrophobicContact CB-CD2 3.97Å
122L90.8Very high90.2Very high43 Ų4368.8 Ų68.823%0.22536%0.36CS..Hα-helixtrans-64.3-39.5176.1-76.8164.1000111.8S120 Y124 A125 I126 L134 L137 L138S120-L122 PolarHBondContact O-N 3.02Å; L122-Y124 VanDerWaalsContact C-N 3.33Å; L122-Y124 PolarHBondContact O-N 3.05Å; L122-A125 PolarHBondContact O-N 3.25Å; L122-I126 WeakPolarHBondContact O-CD1 3.32Å; L122-I126 VanDerWaalsContact O-CG1 3.28Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 2.86Å; L122-L134 HydrophobicContact CD2-CD1 3.91Å; L122-L137 HydrophobicContact CD2-CB 4.29Å; L122-L137 HydrophobicContact CD2-CD2 3.77Å; L122-L137 HydrophobicContact CD2-CG 3.77Å; L122-L137 HydrophobicContact CG-CD2 3.94Å; L122-L137 HydrophobicContact CG-CG 4.16Å; L122-L138 HydrophobicContact CD2-CD2 3.84Å; L122-L138 HydrophobicContact CD2-CG 4.15Å
123V91.2Very high90.4Very high51 Ų5164.9 Ų64.931%0.30933%0.332SS..Hα-helixtrans-62.5-43.4176.2-177.10000110.1C119 S120 I126 N127C119-V123 HydrophobicContact CB-CB 4.36Å; C119-V123 HydrophobicContact CB-CG1 4.4Å; S120-V123 WeakPolarHBondContact O-CB 3.48Å; S120-V123 PolarHBondContact O-N 3.33Å; V123-I126 PolarHBondContact O-N 3.06Å; V123-N127 WeakPolarHBondContact O-CB 3.48Å; V123-N127 PolarHBondContact O-N 3.17Å; V123-N127 PolarHBondContact O-OD1 3.46Å
124Y91.1Very high90.4Very high26 Ų2664.5 Ų64.510%0.10233%0.33CS..Hα-helixtrans-65.5-38.6176.3-73.8-67.4000113.4K85 M89 L93 D115 C119 S120 A121 L122 I126 N127 S128K85-Y124 VanDerWaalsContact CE-OH 3.25Å; K85-Y124 WeakPolarHBondContact CE-OH 3.47Å; K85-Y124 PolarHBondContact NZ-OH 3.45Å; M89-Y124 HydrophobicContact CB-CD2 4.04Å; M89-Y124 HydrophobicContact CB-CE2 4.35Å; M89-Y124 HydrophobicContact CG-CD2 4.14Å; M89-Y124 HydrophobicContact CG-CE2 4.42Å; M89-Y124 HydrophobicContact SD-CE2 4.41Å; L93-Y124 HydrophobicContact CB-CD1 4.26Å; L93-Y124 HydrophobicContact CD1-CD1 3.96Å; L93-Y124 HydrophobicContact CD1-CE1 3.79Å; L93-Y124 HydrophobicContact CG-CD1 4.45Å; D115-Y124 WeakPolarHBondContact OD2-CE2 3.37Å; D115-Y124 PolarHBondContact OD2-OH 2.84Å; C119-Y124 HydrophobicContact CB-CD2 4.29Å; C119-Y124 HydrophobicContact CB-CE2 3.55Å; S120-Y124 WeakPolarHBondContact O-CD2 3.37Å; S120-Y124 PolarHBondContact O-N 3.09Å; A121-Y124 PolarHBondContact O-N 3.5Å; L122-Y124 VanDerWaalsContact C-N 3.33Å; L122-Y124 PolarHBondContact O-N 3.05Å; Y124-I126 VanDerWaalsContact C-N 3.34Å; Y124-N127 PolarHBondContact O-N 2.95Å; Y124-S128 WeakPolarHBondContact O-CB 3.49Å; Y124-S128 PolarHBondContact O-N 3.26Å
125A90.3Very high90.4Very high0 Ų064.7 Ų64.70%033%0.329CS..Hα-helixtrans-70.9-26176.300000113.7C92 A121 L122 S128 L134 L137C92-A125 HydrophobicContact CB-CB 4.33Å; A121-A125 PolarHBondContact O-N 3.26Å; L122-A125 PolarHBondContact O-N 3.25Å; A125-S128 PolarHBondContact O-OG 2.98Å; A125-L134 HydrophobicContact CB-CD1 4.25Å; A125-L137 HydrophobicContact CB-CD2 4.11Å
126I90.6Very high90.4Very high98 Ų9866.5 Ų66.550%0.50334%0.34SS..Hα-helixtrans-74.5-49170.8-69.2163.6000109.7L122 V123 Y124 S128 E129 L134L122-I126 WeakPolarHBondContact O-CD1 3.32Å; L122-I126 VanDerWaalsContact O-CG1 3.28Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 2.86Å; V123-I126 PolarHBondContact O-N 3.06Å; Y124-I126 VanDerWaalsContact C-N 3.34Å; I126-S128 PolarHBondContact O-N 3.45Å; I126-E129 PolarHBondContact O-N 2.95Å; I126-L134 HydrophobicContact CG1-CD1 3.97Å; I126-L134 HydrophobicContact CG1-CD2 4.03Å
127N89.6Confident90.3Very high116 Ų11659.8 Ų59.862%0.6231%0.309SS*.Hα-helixtrans-66-19.8-179.8-68.3-5.5000113.5V123 Y124V123-N127 WeakPolarHBondContact O-CB 3.48Å; V123-N127 PolarHBondContact O-N 3.17Å; V123-N127 PolarHBondContact O-OD1 3.46Å; Y124-N127 PolarHBondContact O-N 2.95Å
128S86.2Confident90.2Very high14 Ų1460.7 Ų60.710%0.09831%0.308CS..THydrogen-bonded Turntrans-86.8-7.7172.185.10000113.3K95 Y124 A125 I126 D130K95-S128 WeakPolarHBondContact CE-O 3.42Å; K95-S128 PolarHBondContact NZ-O 3.39Å; Y124-S128 WeakPolarHBondContact O-CB 3.49Å; Y124-S128 PolarHBondContact O-N 3.26Å; A125-S128 PolarHBondContact O-OG 2.98Å; I126-S128 PolarHBondContact O-N 3.45Å; S128-D130 VanDerWaalsContact CB-OD2 3.24Å; S128-D130 WeakPolarHBondContact CB-OD2 3.46Å; S128-D130 PolarHBondContact O-N 3.05Å; S128-D130 VanDerWaalsContact O-N 3.13Å; S128-D130 WeakPolarHBondContact OG-CB 3.32Å; S128-D130 PolarHBondContact OG-N 3.32Å; S128-D130 PolarHBondContact OG-OD2 3.45Å
129E87.2Confident90.2Very high164 Ų16458.8 Ų58.877%0.76630%0.298SS*.THydrogen-bonded Turntrans60.19.3-175-53.5-174.1168.500115.6I126 K131I126-E129 PolarHBondContact O-N 2.95Å; E129-K131 PolarHBondContact O-N 3.19Å
130D86.7Confident90Very high37 Ų3758.5 Ų58.520%0.19830%0.297CS..  trans-8176.6-171.2-65.8-50.9000112.6K95 S128 E132 T133 L134K95-D130 WeakPolarHBondContact CD-OD1 3.31Å; K95-D130 VanDerWaalsContact CD-OD2 3.23Å; K95-D130 WeakPolarHBondContact CD-OD2 3.37Å; K95-D130 WeakPolarHBondContact CE-OD1 3.31Å; K95-D130 WeakPolarHBondContact CE-OD2 3.4Å; K95-D130 WeakPolarHBondContact CG-OD2 3.47Å; K95-D130 VanDerWaalsContact NZ-CG 3.32Å; K95-D130 IonicContact NZ-OD1 2.77Å; K95-D130 PolarHBondContact NZ-OD1 3.36Å; K95-D130 IonicContact NZ-OD2 3.55Å; K95-D130 PolarHBondContact NZ-OD2 3.09Å; S128-D130 VanDerWaalsContact CB-OD2 3.24Å; S128-D130 WeakPolarHBondContact CB-OD2 3.46Å; S128-D130 PolarHBondContact O-N 3.05Å; S128-D130 VanDerWaalsContact O-N 3.13Å; S128-D130 WeakPolarHBondContact OG-CB 3.32Å; S128-D130 PolarHBondContact OG-N 3.32Å; S128-D130 PolarHBondContact OG-OD2 3.45Å; D130-E132 PolarHBondContact O-N 3.43Å; D130-T133 HydrophobicContact CB-CG2 3.83Å; D130-T133 WeakPolarHBondContact CB-OG1 3.24Å; D130-T133 WeakPolarHBondContact O-CA 3.47Å; D130-T133 WeakPolarHBondContact O-CB 3.1Å; D130-T133 PolarHBondContact O-N 2.94Å; D130-T133 PolarHBondContact O-OG1 3.04Å; D130-L134 PolarHBondContact O-N 3.01Å; D130-L134 VanDerWaalsContact O-N 3.08Å
131K90.3Very high89.8Confident159 Ų15959.1 Ų59.169%0.69130%0.301SS*.Hα-helixtrans-41.3-43.1-176.6-64.3177.5-176.7175.20114.9E129 L134 K135E129-K131 PolarHBondContact O-N 3.19Å; K131-L134 PolarHBondContact O-N 3.49Å; K131-K135 WeakPolarHBondContact O-CG 3.33Å; K131-K135 PolarHBondContact O-N 2.76Å
132E90.9Very high89.5Confident102 Ų10264.6 Ų64.648%0.47732%0.322SS..Hα-helixtrans-70.8-34.4179.7-55.2-43.7116.400113.1D130 K135 V136D130-E132 PolarHBondContact O-N 3.43Å; E132-K135 IonicContact OE1-NZ 2.78Å; E132-K135 PolarHBondContact OE1-NZ 3.3Å; E132-K135 VanDerWaalsContact OE2-CD 3.31Å; E132-K135 WeakPolarHBondContact OE2-CD 3.26Å; E132-K135 IonicContact OE2-NZ 3.91Å; E132-K135 PolarHBondContact OE2-NZ 3.39Å; E132-V136 WeakPolarHBondContact O-CG2 3.43Å; E132-V136 PolarHBondContact O-N 3.48Å; E132-V136 VanDerWaalsContact O-N 3.17Å
133T90.3Very high89Confident7 Ų765.2 Ų65.24%0.04333%0.333CS..Hα-helixtrans-69.1-39.8173.374.40000111I101 D130 V136 L137I101-T133 HydrophobicContact CD1-CG2 3.76Å; D130-T133 HydrophobicContact CB-CG2 3.83Å; D130-T133 WeakPolarHBondContact CB-OG1 3.24Å; D130-T133 WeakPolarHBondContact O-CA 3.47Å; D130-T133 WeakPolarHBondContact O-CB 3.1Å; D130-T133 PolarHBondContact O-N 2.94Å; D130-T133 PolarHBondContact O-OG1 3.04Å; T133-V136 PolarHBondContact O-N 3.38Å; T133-L137 WeakPolarHBondContact O-CB 3.49Å; T133-L137 PolarHBondContact O-N 3.49Å
134L91.6Very high88.1Confident41 Ų4167.7 Ų67.722%0.21534%0.337CS..Hα-helixtrans-63.7-42.4176.9-176.560.9000111.4L122 A125 I126 D130 K131 L137 L138L122-L134 HydrophobicContact CD2-CD1 3.91Å; A125-L134 HydrophobicContact CB-CD1 4.25Å; I126-L134 HydrophobicContact CG1-CD1 3.97Å; I126-L134 HydrophobicContact CG1-CD2 4.03Å; D130-L134 PolarHBondContact O-N 3.01Å; D130-L134 VanDerWaalsContact O-N 3.08Å; K131-L134 PolarHBondContact O-N 3.49Å; L134-L137 PolarHBondContact O-N 2.66Å; L134-L138 HydrophobicContact CD1-CD1 4.15Å; L134-L138 HydrophobicContact CD1-CG 4.14Å; L134-L138 HydrophobicContact CG-CD1 3.93Å; L134-L138 HydrophobicContact CG-CG 4.37Å; L134-L138 VanDerWaalsContact O-CB 3.3Å; L134-L138 WeakPolarHBondContact O-CB 2.93Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.12Å; L134-L138 PolarHBondContact O-N 2.95Å
135K91.9Very high86.9Confident107 Ų10769.2 Ų69.247%0.46536%0.36SS..Hα-helixtrans-57.7-47.7171.9-74.1169.3-178.1166.40112.4K131 E132 N139K131-K135 WeakPolarHBondContact O-CG 3.33Å; K131-K135 PolarHBondContact O-N 2.76Å; E132-K135 IonicContact OE1-NZ 2.78Å; E132-K135 PolarHBondContact OE1-NZ 3.3Å; E132-K135 VanDerWaalsContact OE2-CD 3.31Å; E132-K135 WeakPolarHBondContact OE2-CD 3.26Å; E132-K135 IonicContact OE2-NZ 3.91Å; E132-K135 PolarHBondContact OE2-NZ 3.39Å; K135-N139 WeakPolarHBondContact O-CB 3.23Å; K135-N139 PolarHBondContact O-N 2.97Å; K135-N139 PolarHBondContact O-ND2 2.91Å; K135-N139 VanDerWaalsContact O-ND2 3.12Å
136V92.3Very high85.4Confident43 Ų4372.7 Ų72.726%0.26138%0.375SS..Hα-helixtrans-61.9-44.7178.7170.30000110.7P98 I101 L105 E132 T133 N139 A140P98-V136 HydrophobicContact CB-CG2 4.11Å; I101-V136 HydrophobicContact CG2-CG1 4.17Å; L105-V136 HydrophobicContact CD1-CG1 4.04Å; E132-V136 WeakPolarHBondContact O-CG2 3.43Å; E132-V136 PolarHBondContact O-N 3.48Å; E132-V136 VanDerWaalsContact O-N 3.17Å; T133-V136 PolarHBondContact O-N 3.38Å; V136-N139 PolarHBondContact O-N 2.89Å; V136-A140 PolarHBondContact O-N 2.65Å
137L90.6Very high83.8Confident1 Ų175.7 Ų75.71%0.00539%0.387CS..Hα-helixtrans-67.4-45.4-179.2-168.557.4000112L88 L105 P111 A121 L122 A125 T133 L134 N139 A140 C141L88-L137 HydrophobicContact CD2-CD1 3.93Å; L105-L137 HydrophobicContact CD1-CD1 4.27Å; L105-L137 HydrophobicContact CD2-CD1 4.2Å; P111-L137 HydrophobicContact CB-CD1 3.67Å; A121-L137 HydrophobicContact CB-CD2 3.97Å; L122-L137 HydrophobicContact CD2-CB 4.29Å; L122-L137 HydrophobicContact CD2-CD2 3.77Å; L122-L137 HydrophobicContact CD2-CG 3.77Å; L122-L137 HydrophobicContact CG-CD2 3.94Å; L122-L137 HydrophobicContact CG-CG 4.16Å; A125-L137 HydrophobicContact CB-CD2 4.11Å; T133-L137 WeakPolarHBondContact O-CB 3.49Å; T133-L137 PolarHBondContact O-N 3.49Å; L134-L137 PolarHBondContact O-N 2.66Å; L137-N139 PolarHBondContact O-N 3.13Å; L137-A140 PolarHBondContact O-N 3.22Å; L137-C141 PolarHBondContact O-N 3.17Å; L137-C141 PolarHBondContact O-SG 3.03Å
138L90.5Very high82.3Confident90 Ų9073.6 Ų73.647%0.47138%0.378SS..Hα-helixtrans-60.8-41.1174-74171.5000112.2L122 L134 A140 C141 R142L122-L138 HydrophobicContact CD2-CD2 3.84Å; L122-L138 HydrophobicContact CD2-CG 4.15Å; L134-L138 HydrophobicContact CD1-CD1 4.15Å; L134-L138 HydrophobicContact CD1-CG 4.14Å; L134-L138 HydrophobicContact CG-CD1 3.93Å; L134-L138 HydrophobicContact CG-CG 4.37Å; L134-L138 VanDerWaalsContact O-CB 3.3Å; L134-L138 WeakPolarHBondContact O-CB 2.93Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.12Å; L134-L138 PolarHBondContact O-N 2.95Å; L138-A140 PolarHBondContact O-N 3.28Å; L138-C141 PolarHBondContact O-N 3.09Å; L138-R142 VanDerWaalsContact O-CB 3.25Å; L138-R142 WeakPolarHBondContact O-CB 3.21Å; L138-R142 PolarHBondContact O-N 3.25Å
139N89.9Confident81.2Confident82 Ų8278 Ų7844%0.43940%0.4SS..Hα-helixtrans-64.2-38.4175.7-82.8-41.4000112.3K135 V136 L137 R142 A143K135-N139 WeakPolarHBondContact O-CB 3.23Å; K135-N139 PolarHBondContact O-N 2.97Å; K135-N139 PolarHBondContact O-ND2 2.91Å; K135-N139 VanDerWaalsContact O-ND2 3.12Å; V136-N139 PolarHBondContact O-N 2.89Å; L137-N139 PolarHBondContact O-N 3.13Å; N139-R142 PolarHBondContact O-N 3.23Å; N139-R142 PolarHBondContact OD1-NH2 3.35Å; N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.05Å
140A87.3Confident80.1Confident22 Ų2274.1 Ų74.118%0.18238%0.383CS..Hα-helixtrans-72.2-37.4176.100000113.2L105 V136 L137 L138 A143 R144L105-A140 HydrophobicContact CB-CB 4.49Å; L105-A140 HydrophobicContact CD1-CB 3.68Å; L105-A140 HydrophobicContact CD2-CB 3.89Å; L105-A140 HydrophobicContact CG-CB 4.23Å; V136-A140 PolarHBondContact O-N 2.65Å; L137-A140 PolarHBondContact O-N 3.22Å; L138-A140 PolarHBondContact O-N 3.28Å; A140-A143 PolarHBondContact O-N 3.49Å; A140-R144 PolarHBondContact O-N 2.7Å
141C85.3Confident79.2Confident36 Ų3677 Ų7724%0.24340%0.398CS..Hα-helixtrans-61.5-44.1169.8-67.50000111.2P111 L137 L138 A143 R144 G145P111-C141 WeakPolarHBondContact CG-SG 3.27Å; L137-C141 PolarHBondContact O-N 3.17Å; L137-C141 PolarHBondContact O-SG 3.03Å; L138-C141 PolarHBondContact O-N 3.09Å; C141-A143 VanDerWaalsContact C-N 3.31Å; C141-A143 PolarHBondContact O-N 3.37Å; C141-R144 PolarHBondContact O-N 2.93Å; C141-G145 PolarHBondContact O-N 2.73Å
142R84.6Confident78Confident118 Ų11871.5 Ų71.545%0.44538%0.378SS..Hα-helixtrans-63.7-32.8174.9-178.6166.467.7134.6-2.4112.5L138 N139 K146 D173L138-R142 VanDerWaalsContact O-CB 3.25Å; L138-R142 WeakPolarHBondContact O-CB 3.21Å; L138-R142 PolarHBondContact O-N 3.25Å; N139-R142 PolarHBondContact O-N 3.23Å; N139-R142 PolarHBondContact OD1-NH2 3.35Å; R142-K146 VanDerWaalsContact O-CD 3.29Å; R142-K146 WeakPolarHBondContact O-CD 3.37Å; R142-K146 VanDerWaalsContact O-CG 3.27Å; R142-K146 WeakPolarHBondContact O-CG 3.47Å; R142-D173 IonicContact NH1-OD1 2.73Å; R142-D173 IonicContact NH1-OD2 2.67Å
143A81.4Confident76.9Confident55 Ų5570.9 Ų70.946%0.45538%0.381SS..Hα-helixtrans-69.1-53.9173.900000111.4N139 A140 C141 G145 K146N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.05Å; A140-A143 PolarHBondContact O-N 3.49Å; C141-A143 VanDerWaalsContact C-N 3.31Å; C141-A143 PolarHBondContact O-N 3.37Å; A143-G145 VanDerWaalsContact C-N 3.27Å; A143-G145 PolarHBondContact O-N 2.67Å; A143-K146 WeakPolarHBondContact O-CB 3.46Å; A143-K146 PolarHBondContact O-N 2.72Å; A143-K146 VanDerWaalsContact O-N 3.07Å
144R72.1Confident75.8Confident104 Ų10473 Ų7339%0.39239%0.392SS..Hα-helixtrans-59.5-35.4178.1-73.7172.3168.7-105.720.7112.8G108 A109 D110 A140 C141 K146G108-R144 VanDerWaalsContact C-NH2 3.35Å; G108-R144 PolarHBondContact O-NH2 2.77Å; A109-R144 VanDerWaalsContact C-NH2 3.3Å; A109-R144 PolarHBondContact O-NH2 3.44Å; D110-R144 IonicContact OD1-CZ 3.61Å; D110-R144 IonicContact OD1-NH1 3.08Å; D110-R144 PolarHBondContact OD1-NH1 2.78Å; D110-R144 IonicContact OD1-NH2 3.57Å; D110-R144 PolarHBondContact OD1-NH2 3.32Å; A140-R144 PolarHBondContact O-N 2.7Å; C141-R144 PolarHBondContact O-N 2.93Å; R144-K146 PolarHBondContact O-N 2.96Å
145G65.7Low74.6Confident58 Ų5879 Ų7960%0.59842%0.416SS*.THydrogen-bonded Turntrans-70.9-6.1177.100000115.8C141 A143C141-G145 PolarHBondContact O-N 2.73Å; A143-G145 VanDerWaalsContact C-N 3.27Å; A143-G145 PolarHBondContact O-N 2.67Å
146K58.8Low73.1Confident72 Ų7275.5 Ų75.531%0.31341%0.405SS..THydrogen-bonded Turntrans-89.6-21.2178.2-75.2164.5168-160.70113.2R142 A143 R144 V148 P170R142-K146 VanDerWaalsContact O-CD 3.29Å; R142-K146 WeakPolarHBondContact O-CD 3.37Å; R142-K146 VanDerWaalsContact O-CG 3.27Å; R142-K146 WeakPolarHBondContact O-CG 3.47Å; A143-K146 WeakPolarHBondContact O-CB 3.46Å; A143-K146 PolarHBondContact O-N 2.72Å; A143-K146 VanDerWaalsContact O-N 3.07Å; R144-K146 PolarHBondContact O-N 2.96Å; K146-V148 VanDerWaalsContact C-N 3.27Å; K146-V148 PolarHBondContact O-N 3.33Å; K146-P170 HydrophobicContact CD-CB 4.16Å; K146-P170 HydrophobicContact CD-CG 3.74Å; K146-P170 HydrophobicContact CG-CB 4.2Å; K146-P170 HydrophobicContact CG-CG 4.12Å
147E56.3Low71.9Confident161 Ų16180.5 Ų80.575%0.75244%0.439SS*.  trans-82.462.6-174.1-65.2-176.4173.300113.2
148V59.3Low71.1Confident72 Ų7284.4 Ų84.444%0.43647%0.466SS..  trans-97.2122168.7-177.40000108.9K146 I150 N168K146-V148 VanDerWaalsContact C-N 3.27Å; K146-V148 PolarHBondContact O-N 3.33Å; V148-I150 HydrophobicContact CG1-CG1 4.12Å; V148-N168 HydrophobicContact CB-CB 4Å; V148-N168 WeakPolarHBondContact O-CB 3.49Å; V148-N168 PolarHBondContact O-N 3.09Å
149I63.3Low70.1Confident106 Ų10683 Ų8354%0.54447%0.474SS..EExtended strand (participates in β ladder)trans-99.6109.9171.5-57.3176.1000108.3I151 Y166 L167I149-I151 HydrophobicContact CG2-CG1 4.03Å; I149-Y166 WeakPolarHBondContact CA-O 3.32Å; I149-L167 HydrophobicContact CG1-CD1 4.33Å
150I63.6Low69.2Low83 Ų8386.4 Ų86.443%0.42648%0.484SS..EExtended strand (participates in β ladder)trans-89111.9173.4-53.9177.5000107.8V148 T152 Y166V148-I150 HydrophobicContact CG1-CG1 4.12Å; I150-T152 HydrophobicContact CG2-CG2 4Å; I150-Y166 PolarHBondContact N-O 2.65Å; I150-Y166 PolarHBondContact O-N 2.78Å
151I67.6Low68.1Low99 Ų9991.9 Ų91.951%0.50851%0.506SS..EExtended strand (participates in β ladder)trans-95.5103.7173.5-52.2-179.1000108.3I149 T163 K164 Q165I149-I151 HydrophobicContact CG2-CG1 4.03Å; I151-T163 HydrophobicContact CG2-CG2 4.36Å; I151-K164 WeakPolarHBondContact CA-O 3.28Å; I151-Q165 HydrophobicContact CG1-CG 4.44Å
152T64.9Low67.2Low43 Ų4393.3 Ų93.326%0.26451%0.514SS..EExtended strand (participates in β ladder)trans-90.5136.1171.370.40000110.2I150 D154 T163 K164 Y166I150-T152 HydrophobicContact CG2-CG2 4Å; T152-D154 VanDerWaalsContact CB-OD1 3.28Å; T152-D154 WeakPolarHBondContact CB-OD1 3.37Å; T152-D154 PolarHBondContact O-N 3.36Å; T152-D154 PolarHBondContact OG1-OD1 3.26Å; T152-T163 WeakPolarHBondContact O-CA 3.41Å; T152-K164 PolarHBondContact N-O 3.17Å; T152-K164 PolarHBondContact O-N 3.08Å; T152-Y166 HydrophobicContact CG2-CD2 4.28Å; T152-Y166 HydrophobicContact CG2-CE2 4.25Å
153T67.8Low66.1Low88 Ų8892.4 Ų92.454%0.5452%0.522SS..EExtended strand (participates in β ladder)trans-100.668.8176.640.10000110.3K155 T163T153-K155 PolarHBondContact O-N 2.81Å; T153-T163 HydrophobicContact CG2-CG2 4.04Å
154D67.1Low65.4Low53 Ų5394 Ų9428%0.28352%0.518SS..EExtended strand (participates in β ladder)trans-60.3125.9179.4-66.926.8000110.1T152 T162 K164T152-D154 VanDerWaalsContact CB-OD1 3.28Å; T152-D154 WeakPolarHBondContact CB-OD1 3.37Å; T152-D154 PolarHBondContact O-N 3.36Å; T152-D154 PolarHBondContact OG1-OD1 3.26Å; D154-T162 PolarHBondContact N-O 3.26Å; D154-T162 PolarHBondContact O-N 2.62Å; D154-T162 PolarHBondContact O-OG1 3.09Å; D154-K164 WeakPolarHBondContact OD2-CD 3.1Å; D154-K164 WeakPolarHBondContact OD2-CE 3.45Å; D154-K164 IonicContact OD2-NZ 2.66Å; D154-K164 PolarHBondContact OD2-NZ 3.13Å
155K65.2Low65Low165 Ų16596.3 Ų96.372%0.71753%0.534SS*.EExtended strand (participates in β ladder)trans-91.7108.8172.2-68.9177.9-177.5174.60108.4T153 Q161T153-K155 PolarHBondContact O-N 2.81Å; K155-Q161 HydrophobicContact CG-CG 4.33Å
156S61.5Low64.9Low34 Ų3499.1 Ų99.124%0.23853%0.527CS..  trans-62.9154.1171.371.80000110.5S158 G159 K160S156-S158 PolarHBondContact O-N 2.93Å; S156-S158 PolarHBondContact OG-OG 3.43Å; S156-G159 PolarHBondContact O-N 3.2Å; S156-K160 WeakPolarHBondContact CB-O 3.17Å; S156-K160 PolarHBondContact N-O 3.49Å; S156-K160 PolarHBondContact OG-N 3.17Å; S156-K160 PolarHBondContact OG-O 3.36Å
157P66.8Low65Low148 Ų148101.1 Ų101.196%0.96154%0.541SS*.THydrogen-bonded Turntrans-61.2-13.3175.524.8-34.6000113.5G159P157-G159 PolarHBondContact O-N 3.41Å
158S74.1Confident65Low83 Ų8397.3 Ų97.358%0.5853%0.525SS*.THydrogen-bonded Turntrans-804.1171.676.80000114.6S156 K160S156-S158 PolarHBondContact O-N 2.93Å; S156-S158 PolarHBondContact OG-OG 3.43Å; S158-K160 PolarHBondContact O-N 2.92Å; S158-K160 VanDerWaalsContact O-N 3.11Å
159G69.9Low64.5Low61 Ų6199.1 Ų99.163%0.62954%0.536SS*.SBendtrans76.2-15.9-174.800000114.7S156 P157 Q161S156-G159 PolarHBondContact O-N 3.2Å; P157-G159 PolarHBondContact O-N 3.41Å; G159-Q161 PolarHBondContact O-N 3.3Å
160K71Confident63.9Low153 Ų15396.2 Ų96.267%0.66553%0.525SS*.  trans-64.7125.7173.1-63.5178.5-179.5178.10110S156 S158S156-K160 WeakPolarHBondContact CB-O 3.17Å; S156-K160 PolarHBondContact N-O 3.49Å; S156-K160 PolarHBondContact OG-N 3.17Å; S156-K160 PolarHBondContact OG-O 3.36Å; S158-K160 PolarHBondContact O-N 2.92Å; S158-K160 VanDerWaalsContact O-N 3.11Å
161Q64Low62.9Low137 Ų13797.8 Ų97.864%0.6454%0.54SS*.EExtended strand (participates in β ladder)trans-79.7132.1171.6-58.7-177.526.200109K155 G159K155-Q161 HydrophobicContact CG-CG 4.33Å; G159-Q161 PolarHBondContact O-N 3.3Å
162T65.4Low61.9Low67 Ų6797.4 Ų97.441%0.41155%0.552SS.*EExtended strand (participates in β ladder)trans-123.1111.1176.350.90000109D154 K164D154-T162 PolarHBondContact N-O 3.26Å; D154-T162 PolarHBondContact O-N 2.62Å; D154-T162 PolarHBondContact O-OG1 3.09Å; T162-K164 PolarHBondContact O-N 2.98Å
163T62.2Low60.7Low99 Ų99101.4 Ų101.461%0.60757%0.572SS**EExtended strand (participates in β ladder)trans-72.3121.4172.946.80000110.1I151 T152 T153I151-T163 HydrophobicContact CG2-CG2 4.36Å; T152-T163 WeakPolarHBondContact O-CA 3.41Å; T153-T163 HydrophobicContact CG2-CG2 4.04Å
164K67Low59.6Low88 Ų88102.6 Ų102.638%0.38358%0.584SS.*EExtended strand (participates in β ladder)trans-103.6131.9166.9-64.5178.9-174.5160.90108.9I151 T152 D154 T162 Y166I151-K164 WeakPolarHBondContact CA-O 3.28Å; T152-K164 PolarHBondContact N-O 3.17Å; T152-K164 PolarHBondContact O-N 3.08Å; D154-K164 WeakPolarHBondContact OD2-CD 3.1Å; D154-K164 WeakPolarHBondContact OD2-CE 3.45Å; D154-K164 IonicContact OD2-NZ 2.66Å; D154-K164 PolarHBondContact OD2-NZ 3.13Å; T162-K164 PolarHBondContact O-N 2.98Å; K164-Y166 HydrophobicContact CB-CD2 4.17Å; K164-Y166 HydrophobicContact CB-CE2 3.55Å; K164-Y166 HydrophobicContact CD-CE2 4.07Å; K164-Y166 VanDerWaalsContact CD-OH 3.32Å; K164-Y166 WeakPolarHBondContact CD-OH 3.33Å; K164-Y166 HydrophobicContact CG-CE2 4.49Å
165Q64.3Low58.7Low152 Ų152108.6 Ų108.671%0.7161%0.61SS**EExtended strand (participates in β ladder)trans-102.5111.8175.1-67.3-179.5-15.800108.4I151I151-Q165 HydrophobicContact CG1-CG 4.44Å
166Y62.2Low57.2Low117 Ų117110 Ų11046%0.45962%0.619SS.*EExtended strand (participates in β ladder)trans-100.9108.8173.1-65.2-85.5000108.8I149 I150 T152 K164I149-Y166 WeakPolarHBondContact CA-O 3.32Å; I150-Y166 PolarHBondContact N-O 2.65Å; I150-Y166 PolarHBondContact O-N 2.78Å; T152-Y166 HydrophobicContact CG2-CD2 4.28Å; T152-Y166 HydrophobicContact CG2-CE2 4.25Å; K164-Y166 HydrophobicContact CB-CD2 4.17Å; K164-Y166 HydrophobicContact CB-CE2 3.55Å; K164-Y166 HydrophobicContact CD-CE2 4.07Å; K164-Y166 VanDerWaalsContact CD-OH 3.32Å; K164-Y166 WeakPolarHBondContact CD-OH 3.33Å; K164-Y166 HydrophobicContact CG-CE2 4.49Å
167L61.8Low55.9Low114 Ų114114.4 Ų114.460%0.59765%0.649SS**EExtended strand (participates in β ladder)trans-68.8125.9162.1-173.878.6000107.4I149 V169I149-L167 HydrophobicContact CG1-CD1 4.33Å; L167-V169 HydrophobicContact CD2-CG2 4.36Å; L167-V169 PolarHBondContact O-N 3.25Å
168N55.6Low54.1Low81 Ų81113.2 Ų113.243%0.43364%0.642SS.*  trans-75.477.6-179.4-157.934.1000110.9V148 P170V148-N168 HydrophobicContact CB-CB 4Å; V148-N168 WeakPolarHBondContact O-CB 3.49Å; V148-N168 PolarHBondContact O-N 3.09Å; N168-P170 WeakPolarHBondContact O-CD 3.24Å
169V49.9Very low52.1Low110 Ų110114.6 Ų114.667%0.66765%0.652SS**PPolyproline II helixtrans-62.3117.8171.5-178.90000107.3L167L167-V169 HydrophobicContact CD2-CG2 4.36Å; L167-V169 PolarHBondContact O-N 3.25Å
170P49Very low50.6Low46 Ų46117.5 Ų117.530%0.29966%0.66SS.*PPolyproline II helixtrans-62.9152.8176.631.7-39.7000109.7K146 N168 A172K146-P170 HydrophobicContact CD-CB 4.16Å; K146-P170 HydrophobicContact CD-CG 3.74Å; K146-P170 HydrophobicContact CG-CB 4.2Å; K146-P170 HydrophobicContact CG-CG 4.12Å; N168-P170 WeakPolarHBondContact O-CD 3.24Å; P170-A172 PolarHBondContact O-N 2.92Å
171P44.2Very low48.9Very low116 Ų116114.8 Ų114.875%0.75366%0.66SS**PPolyproline II helixtrans-54137.916526.2-33.8000109D173P171-D173 PolarHBondContact O-N 2.67Å
172A46.1Very low47.8Very low91 Ų91113.1 Ų113.175%0.75267%0.67SS**PPolyproline II helixtrans-59.1138.2169.400000108.5P170 S174P170-A172 PolarHBondContact O-N 2.92Å; A172-S174 PolarHBondContact O-N 2.99Å; A172-S174 VanDerWaalsContact O-N 3.08Å
173D39.6Very low46.2Very low127 Ų127115.5 Ų115.568%0.67969%0.688SS**PPolyproline II helixtrans-58.4116.4179.5-66.7-59.5000107.9R142 P171 E175R142-D173 IonicContact NH1-OD1 2.73Å; R142-D173 IonicContact NH1-OD2 2.67Å; P171-D173 PolarHBondContact O-N 2.67Å; D173-E175 PolarHBondContact O-N 2.81Å
174S44.7Very low45.3Very low113 Ų113117 Ų11779%0.7970%0.697SS**  trans-86.194-16059.30000113A172A172-S174 PolarHBondContact O-N 2.99Å; A172-S174 VanDerWaalsContact O-N 3.08Å
175E48.2Very low43.7Very low179 Ų179118 Ų11884%0.83672%0.715SS**  trans-124.1152.9161.2-72.9-67.2176.500109.6D173D173-E175 PolarHBondContact O-N 2.81Å
176E34Very low42.7Very low193 Ų193116.9 Ų116.990%0.90272%0.721SS**SBendtrans62.7120.3-174.9-59-162.9125.500117.2
177C34.4Very low41.5Very low128 Ų128116.4 Ų116.487%0.86573%0.734SS**  trans-89.9109179.1-177.50000111.5
178C27.6Very low40.4Very low122 Ų122119.8 Ų119.882%0.82475%0.747SS**  trans-129.8118.2157.8-82.80000109.4P180C178-P180 VanDerWaalsContact O-CD 3.32Å; C178-P180 WeakPolarHBondContact O-CD 3.45Å
179S33.6Very low39.5Very low113 Ų113123 Ų12379%0.7976%0.763SS**PPolyproline II helixtrans-73.1117.7178.540.10000111.1S181S179-S181 PolarHBondContact O-N 3.04Å
180P38.9Very low38.9Very low122 Ų122124.8 Ų124.879%0.79276%0.764SS**PPolyproline II helixtrans-69.6131.7168.729.4-32.4000109.1C178C178-P180 VanDerWaalsContact O-CD 3.32Å; C178-P180 WeakPolarHBondContact O-CD 3.45Å
181S35.3Very low38Very low95 Ų95130.2 Ų130.266%0.66479%0.79SS**PPolyproline II helixtrans-61.2157170.449.80000111.1S179 C183S179-S181 PolarHBondContact O-N 3.04Å; S181-C183 PolarHBondContact O-N 3.09Å
182A39.7Very low37.4Very low103 Ų103132.2 Ų132.285%0.85179%0.787SS**  trans-66.991.2176.700000111
183C33.2Very low36.9Very low116 Ų116134.4 Ų134.478%0.78479%0.791SS**PPolyproline II helixtrans-73.6132.6174.7-69.30000110.9S181S181-C183 PolarHBondContact O-N 3.09Å
184T41.4Very low36.5Very low132 Ų132133.8 Ų133.881%0.8180%0.796SS**PPolyproline II helixtrans-84.4159.2-167.944.30000113.8
185S34.1Very low36.6Very low109 Ų109133.9 Ų133.976%0.76279%0.794SS**PPolyproline II helixtrans-69.2131.1174.7-64.30000111.8S187S185-S187 PolarHBondContact O-N 3.32Å; S185-S187 VanDerWaalsContact O-N 3.11Å
186P42.9Very low35.7Very low128 Ų128130.6 Ų130.683%0.83179%0.791SS**  trans-86.380.1-176.134.4-35.7000112.3
187S38Very low36.1Very low106 Ų106126.3 Ų126.374%0.74178%0.78SS**  trans-139.141.9-177.4-64.40000115.1S185S185-S187 PolarHBondContact O-N 3.32Å; S185-S187 VanDerWaalsContact O-N 3.11Å
188E38.4Very low35.8Very low185 Ų185128.4 Ų128.486%0.86478%0.782SS**  trans-15093.8166.1-120.9161.2-134.200111.2
189I37.3Very low35.8Very low150 Ų150128.6 Ų128.677%0.76979%0.785SS**  trans-112.280.2173.3-58.7178.3000107.8L191I189-L191 HydrophobicContact CG2-CG 4.04Å; I189-L191 PolarHBondContact O-N 3.46Å
190E35.9Very low35.4Very low146 Ų146128 Ų12868%0.68278%0.78SS**  trans-79.492.9166.3-83-123.7131.600109.7K192E190-K192 PolarHBondContact O-N 3.29Å; E190-K192 VanDerWaalsContact O-N 3.17Å; E190-K192 IonicContact OE1-NZ 2.92Å; E190-K192 PolarHBondContact OE1-NZ 2.84Å; E190-K192 IonicContact OE2-NZ 2.77Å; E190-K192 PolarHBondContact OE2-NZ 3.08Å
191L31.1Very low34.9Very low161 Ų161126.6 Ų126.684%0.84377%0.773SS**  trans-73.899.9167.5-73.5172.4000110.3I189I189-L191 HydrophobicContact CG2-CG 4.04Å; I189-L191 PolarHBondContact O-N 3.46Å
192K31.9Very low34.6Very low157 Ų157128.7 Ų128.768%0.68378%0.777SS**  trans-126.9143.9165-71.7178.8-172.8136.60111.1E190E190-K192 PolarHBondContact O-N 3.29Å; E190-K192 VanDerWaalsContact O-N 3.17Å; E190-K192 IonicContact OE1-NZ 2.92Å; E190-K192 PolarHBondContact OE1-NZ 2.84Å; E190-K192 IonicContact OE2-NZ 2.77Å; E190-K192 PolarHBondContact OE2-NZ 3.08Å
193T34.5Very low34.1Very low138 Ų138130.5 Ų130.585%0.84777%0.768SS**  trans-88.4167.6-160.646.10000114.6
194S31.4Very low34Very low113 Ų113129.1 Ų129.179%0.7976%0.756SS**  trans-37.4160.7179.247.90000119.2
195P46.4Very low33.7Very low115 Ų115130.5 Ų130.575%0.74775%0.751SS**  trans-115.7180-149.143.2-35.5000117.1
196S30.7Very low33.9Very low111 Ų111134.8 Ų134.878%0.77676%0.756SS**  trans83.3160.3155.684.40000118.5
197P42.4Very low33.3Very low103 Ų103132.9 Ų132.967%0.66975%0.751SS**  cis-131.1167.8-17.623.5-0.8000115.7
198L27.2Very low33Very low171 Ų171135.3 Ų135.390%0.89576%0.755SS**  trans44.5113.8146.9-66.1165.6000121.3
199S27Very low32.6Very low127 Ų127135 Ų13589%0.88875%0.751SS**  trans-157.1174.9130.6-160.90000110.8
200S26Very low32.2Very low100 Ų100132.5 Ų132.570%0.69975%0.747SS**  trans-121.4167.9-161.661.80000115.7
201S28.4Very low31.9Very low92 Ų92135.2 Ų135.264%0.64376%0.757SS**  trans81143.415680.10000120
202N28.1Very low32Very low139 Ų139134.3 Ų134.374%0.74375%0.746SS**  trans69.6146.6149.3-62.32.1000118.5
203E30.5Very low31.9Very low142 Ų142133.5 Ų133.566%0.66475%0.745SS**  cis-160.7137.1-7.6-122-163.5107.900113.2
204T29.6Very low31.7Very low87 Ų87133.1 Ų133.153%0.53474%0.736SS.*  trans66.5158146.966.90000123.9
205K36.2Very low31.6Very low161 Ų161134.2 Ų134.270%0.773%0.733SS**  trans76.7103.2155.5-67.2139.1-157.1143.70116.3
206K37.8Very low31.1Very low198 Ų198137.3 Ų137.386%0.86174%0.738SS**  78.197.290.2-77.3-179.6-177.8-174.10111
207A31.1Very low31.8Very low89 Ų89138 Ų13874%0.73674%0.739SS**  77.1128.672.400000113.8
208L30.7Very low31.3Very low157 Ų157144.4 Ų144.482%0.82275%0.75SS**  -172.4143.5120.2-111.8104.1000110.4
209F30.2Very low31.4Very low179 Ų179141 Ų14179%0.78574%0.741SS**  trans9.1129.5156.2-65.9-100.1000119.7
210S30.2Very low31.5Very low96 Ų96140.3 Ų140.367%0.67173%0.731SS**  cis65.6116.149.3-170.50000114.9
211F28.5Very low31.6Very low204 Ų204142 Ų14290%0.89573%0.733SS**  trans-149167.8137.1-127.4-87.8000110.4
212K33.7Very low31.6Very low142 Ų142145 Ų14562%0.61774%0.742SS**  trans-149.8156.8-156.8-170.9-173.2173.4-126.90109.7
213E28.4Very low31.5Very low140 Ų140143 Ų14365%0.65474%0.739SS**  trans71.7155.3155.3-95.7158.5-17800117.5
214L30.8Very low31.4Very low129 Ų129142 Ų14268%0.67575%0.746SS**  cis-161.2152.8-1.9-173.751.3000112.9
215D30.2Very low31.4Very low136 Ų136146.3 Ų146.373%0.72776%0.76SS**  trans58.3162153.3-71.8-16.3000126.9
216H35.7Very low31.6Very low181 Ų181143.7 Ų143.784%0.83876%0.759SS**  trans-106.1177.6171.3-55-4.2000110.6
217P45.6Very low31.2Very low125 Ų125140 Ų14081%0.81275%0.753SS**  -152.7-178.185.339.1-18.3000117.6
218R31.6Very low31.3Very low238 Ų238141.2 Ų141.290%0.89876%0.756SS**  trans-42.4157.2172-62.9167.3169.6161.4-5.8115.3
219S28.4Very low32Very low100 Ų100138.4 Ų138.470%0.69975%0.747SS**  -177.7146.571.858.20000118.3
220T30.6Very low31.9Very low111 Ų111136.3 Ų136.368%0.68175%0.749SS**  trans52.7117.1140.457.60000124.1
221D26.7Very low31.8Very low136 Ų136142.4 Ų142.473%0.72776%0.758SS**  68.3145.1121.6-52.9-10.9000124.9
222N29.4Very low31.8Very low156 Ų156141.5 Ų141.583%0.83475%0.753SS**  trans73.4144.6162.3-59.6-47.1000118.1
223S26.4Very low31.5Very low97 Ų97138.5 Ų138.568%0.67875%0.75SS**  cis-167.7-177.2-14.151.40000110.7
224C27.7Very low31.4Very low120 Ų120140 Ų14081%0.81176%0.756SS**  trans79.4102.6161.3-58.90000120.1
225E29.8Very low31.3Very low178 Ų178140.2 Ų140.283%0.83276%0.758SS**  trans-61.2169.2133.8-119.4-162.7-121.500110.3
226P41Very low31.2Very low106 Ų106139.3 Ų139.369%0.68876%0.758SS**  cis-152.8-163.649.433-5.8000117.2
227V28.6Very low30.9Very low121 Ų121137.4 Ų137.473%0.73375%0.753SS**  trans93.7103156.7-166.40000118.4
228S34.2Very low30.1Very low113 Ų113137.7 Ų137.779%0.7975%0.752SS**  trans-91.8158.4144.8-58.40000109.7
229P45.2Very low30Very low99 Ų99128.9 Ų128.964%0.64374%0.736SS**  -160.8139.4102.336.9-16.3000118.6
230T27.3Very low30.2Very low135 Ų135129.6 Ų129.683%0.82874%0.741SS**  trans61.7167.6148.169.90000118.2
231R28.9Very low30.4Very low224 Ų224132.8 Ų132.885%0.84575%0.745SS**  cis-154.6153.88.3-153.2175.5170.8167.1-4.3111.2
232K28.5Very low30.5Very low185 Ų185133.9 Ų133.980%0.80475%0.75SS**  trans-9.4151149.7-57.5-174.7-178.5-173.70117.7
233S26.5Very low30.4Very low79 Ų79130.5 Ų130.555%0.55274%0.744SS**  cis170.3170.14.245.70000113
234H26.9Very low30.8Very low170 Ų170134.6 Ų134.679%0.78775%0.753SS**  trans73.8154.2155.1-59.2-49.1000117
235L28Very low30.8Very low134 Ų134133.6 Ų133.670%0.70275%0.753SS**  cis-157.1160.7-2.6-151.867.3000112.5
236T28.6Very low30.8Very low118 Ų118134.6 Ų134.672%0.72476%0.758SS**  trans69.6158.7162.581.30000117.7
237N28.8Very low30.2Very low140 Ų140139.3 Ų139.375%0.74976%0.762SS**  cis-152.6167.5-4.6-141.3-16.5000113.9
238V29.8Very low30.1Very low131 Ų131141.6 Ų141.679%0.79477%0.769SS**  trans63.6137.8160.8179.30000118.1
239G28.6Very low29.9Very low54 Ų54143.8 Ų143.856%0.55777%0.767SS**  trans-147-161.9165.200000111.2
240S33Very low29.2Very low115 Ų115144.3 Ų144.380%0.80477%0.773SS**  trans79.1152.1-171.287.90000114.1
241K34.1Very low29.9Very low177 Ų177146.1 Ų146.177%0.7777%0.772SS**  cis-162.9146.617.1-149.4166.5-174.8177.30112.9
242L28.8Very low31.1Very low159 Ų159139.3 Ų139.383%0.83276%0.757SS**  trans60171166.7-102.369.1000114.6
243A28.4Very low31.2Very low85 Ų85141 Ų14170%0.70276%0.758SS**  cis-163167.3-5.600000106.7
244Q33.6Very low31.5Very low184 Ų184143.4 Ų143.486%0.8676%0.764SS**  cis-163.6166.9-14.9168.6167.8-53.800107.4
245A27.9Very low31.7Very low98 Ų98144.8 Ų144.881%0.8177%0.767SS**  trans-65.6150.2-177.200000115.3
246Q31Very low31.6Very low200 Ų200144 Ų14494%0.93577%0.773SS**  trans-113.8141.3168.8-150.7171.819.500110.7
247R27.3Very low31.7Very low205 Ų205143.7 Ų143.777%0.77478%0.775SS**  trans-114.6125.8-169.5165.8-152.1-84.2176.3-8.5110.5Q249R247-Q249 HydrophobicContact CG-CG 4.13Å
248L27.7Very low32.2Very low169 Ų169143.3 Ų143.389%0.88578%0.78SS**  trans-142.7118.9151.4-65.1175.2000106.4
249Q29.2Very low32.2Very low159 Ų159142 Ų14274%0.74378%0.777SS**  74110.753.5-63.9-75.4-71.400112.6R247R247-Q249 HydrophobicContact CG-CG 4.13Å
250S29.8Very low32.3Very low110 Ų110146.1 Ų146.177%0.76979%0.791SS**  trans-152.1118.2177.356.50000110.3
251E42.9Very low32.3Very low173 Ų173150 Ų15081%0.80879%0.794SS**  trans162.9164167.7-89.7-42.2124.100105.6
252P52.9Low32.3Very low81 Ų81147.1 Ų147.153%0.52679%0.793SS.*  cis-105.5-169.6-14.31312.4000111.1
253W31.9Very low32.5Very low221 Ų221147.8 Ų147.884%0.83779%0.792SS**  cis-162.7-17837.4-62.580.5000110.6
254L32.7Very low32.5Very low129 Ų129151 Ų15168%0.67580%0.797SS**  cis178.3142.8-47.3-153.4170.5000107.4
255K29.9Very low32.2Very low198 Ų198152.6 Ų152.686%0.86180%0.801SS**  trans103.3145.4178-62.1173.4-178176.90114.1
256S26.7Very low32.1Very low118 Ų118154.8 Ų154.883%0.82580%0.804SS**  cis-141166.14.743.20000113.7
257C30.9Very low31.8Very low111 Ų111149.2 Ų149.275%0.7579%0.792SS**  trans-79.4-177.5-168.7-44.30000115.3
258P38.9Very low31.7Very low133 Ų133144.7 Ų144.786%0.86479%0.792SS**  -133.9158.3100.439.1-32.2000115
259S30.7Very low31.6Very low104 Ų104144.4 Ų144.473%0.72779%0.79SS**  trans-160.7114.6172.758.60000112
260V29.1Very low31.6Very low140 Ų140144 Ų14485%0.84879%0.788SS**  trans-144.8121.2167.7-178.80000110.4
261F33.3Very low31.6Very low197 Ų197146.4 Ų146.486%0.86479%0.787SS**  trans-99.2153.9154.3-105.7-80.9000108.1
262P34.8Very low30.8Very low115 Ų115146.6 Ų146.675%0.74779%0.788SS**  -134165.2129.519.10.9000113.3
263Q32Very low29.7Very low174 Ų174150.8 Ų150.881%0.81381%0.805SS**  trans-104.6149-179.6-67.4179-32.100112.8
264N29.8Very low29.7Very low151 Ų151147.3 Ų147.381%0.80780%0.798SS**  trans32.3112.4145.7-62.8-12.4000120.2
265K25.9Very low29.5Very low219 Ų219147.3 Ų147.395%0.95280%0.799SS**  -158.6162.5119.4-115.4171-176.6177.70113.8
266V26.9Very low29.5Very low144 Ų144145.8 Ų145.887%0.87380%0.799SS**  trans-77.2134.6-167.4175.30000113.5
267A25.3Very low30.1Very low83 Ų83146.3 Ų146.369%0.68680%0.797SS**  trans-172.5147.8139.400000114.7
268S23.6Very low30.3Very low109 Ų109146.9 Ų146.976%0.76280%0.8SS**  trans32.5123.3150.2570000124.3
269L27.3Very low30.2Very low163 Ų163149.8 Ų149.885%0.85380%0.801SS**  8.1125.4130-63165.3000119.9
270Q27.8Very low30.7Very low150 Ų150154.2 Ų154.270%0.70181%0.811SS**  -177.2106.1113.7-153.364.326.700106.4
271E29.5Very low31Very low161 Ų161156.6 Ų156.675%0.75281%0.812SS**  48.110094.6-175.8-178.7-108.900114.8
272Q27.1Very low31Very low178 Ų178155.5 Ų155.583%0.83282%0.815SS**  trans-158132.7138.8-118170-11.200110.3
273L30.5Very low30.8Very low168 Ų168154.6 Ų154.688%0.8881%0.811SS**  trans-132.6128.3173.4-113.4172.6000106.6
274Q30.6Very low30.7Very low148 Ų148156 Ų15669%0.69282%0.815SS**  trans-152.1145.7172.5-71.2-165.1-80.100107.9
275D28Very low30.9Very low130 Ų130158.4 Ų158.470%0.69582%0.818SS**  cis-149.2155.8-19.5-95.1-37.6000107.4
276I31.3Very low31.2Very low165 Ų165155 Ų15585%0.84681%0.809SS**  trans-124.8142.2169.1-63.5-179.3000108
277T39.6Very low31.4Very low130 Ų130155.5 Ų155.580%0.79881%0.807SS**  trans-69150.6-164.744.90000114.7
278P34.3Very low31.8Very low123 Ų123155.1 Ų155.180%0.79981%0.811SS**  trans-9999.2-166.836.9-33.2000114.4
279E37.1Very low32.4Very low193 Ų193158.2 Ų158.290%0.90282%0.818SS**  trans-139.583.8159.2-73.6-165168.600110.4
280E40.4Very low32.9Very low198 Ų198155.3 Ų155.393%0.92582%0.818SS**  trans17841.6147.5-101.6-176.4173.900112.3L282E280-L282 PolarHBondContact O-N 3.45Å
281E35.2Very low33.3Very low189 Ų189156.4 Ų156.488%0.88383%0.827SS**  trans-71.3108.3160.1-75.8-161124.500109.3
282L34.3Very low33.7Very low175 Ų175153.4 Ų153.492%0.91682%0.824SS**  trans173.556.6139.2-93.7167.3000114.2E280E280-L282 PolarHBondContact O-N 3.45Å
283S30.7Very low34.3Very low96 Ų96154.9 Ų154.967%0.67183%0.828SS**SBendtrans-149170.6151.563.50000111
284F30.2Very low34.5Very low204 Ų204157.2 Ų157.290%0.89583%0.825SS**  trans65.942.9-178.7-54.8-72.7000117.7
285K33.8Very low34.6Very low200 Ų200159.8 Ų159.887%0.8783%0.834SS**  trans-103.4102152.4-170174.8-172.7173.70110.4
286I31.8Very low35Very low147 Ų147161.5 Ų161.575%0.75484%0.842SS**SBendtrans173.1128.7150.3-93.1153000108.2
287N30.9Very low35.1Very low155 Ų155159.5 Ų159.583%0.82984%0.837SS**  trans43.198.3163.6-53.7-8.1000116.9
288G33.1Very low35Very low76 Ų76164 Ų16478%0.78484%0.84SS**  cis97.972.82000000112.3
289L37.2Very low35.3Very low174 Ų174166.4 Ų166.491%0.91184%0.84SS**  trans-144.6120.9162.5-95.8177000109
290A37Very low35.3Very low101 Ų101166.7 Ų166.784%0.83584%0.841SS**  trans-86.3129.9179.200000111.1
291L37.8Very low35.2Very low173 Ų173162.8 Ų162.891%0.90684%0.836SS**  trans-111.3117.6168.3-70.6177.6000109.8
292S36.2Very low35.6Very low99 Ų99161.7 Ų161.769%0.69283%0.834SS**  trans-66.7143.7-175.764.10000113R294S292-R294 PolarHBondContact O-N 3.04Å; S292-R294 VanDerWaalsContact O-N 3.09Å
293K39.8Very low36Very low208 Ų208158.9 Ų158.990%0.90482%0.82SS**  trans-59.3110.7167.2-65.7173.1-178.1170.70109
294R36.3Very low36.8Very low218 Ų218161.2 Ų161.282%0.82382%0.824SS**  trans-115.6126.4164.3-85.7-172.1171.8177.9-1.7110.2S292S292-R294 PolarHBondContact O-N 3.04Å; S292-R294 VanDerWaalsContact O-N 3.09Å
295F32.3Very low37.6Very low202 Ų202159.3 Ų159.389%0.88682%0.815SS**  trans-69.1129.1168.8-66.4-95000109
296I36.6Very low38Very low166 Ų166156.4 Ų156.485%0.85181%0.809SS**  trans-100.2101.6172.4-60.9177.6000107.9
297T32.9Very low38.8Very low123 Ų123153.4 Ų153.476%0.75580%0.798SS**  trans-69.4153.9163.543.50000110
298R37.4Very low39.5Very low225 Ų225149.5 Ų149.585%0.84979%0.787SS**SBendtrans-62.1152.9175.9-76.4-178.2167.3179-3.7111.3
299H41.3Very low40Very low172 Ų172153.6 Ų153.680%0.79679%0.785SS**  trans7582.9173.3-53.4-82.6000116.8
300Q36.5Very low40.4Very low199 Ų199151.7 Ų151.793%0.9378%0.775SS**  trans-153.6140.8138.8-109.2159.521.500109.7
301S37.8Very low40.5Very low116 Ų116156.2 Ų156.281%0.81177%0.771SS**PPolyproline II helixtrans-94.1132.2177.648.70000110.3
302I44.3Very low40.7Very low166 Ų166156.3 Ų156.385%0.85176%0.764SS**PPolyproline II helixtrans-79.9127.1172.9-69.7171.3000109
303D41.7Very low40.7Very low117 Ų117156.9 Ų156.963%0.62676%0.763SS**PPolyproline II helixtrans-84.1150.9175.6-162.1-5.3000110.6K305D303-K305 VanDerWaalsContact C-N 3.34Å; D303-K305 PolarHBondContact O-N 3.45Å
304I47.9Very low40.5Very low144 Ų144155.6 Ų155.674%0.73876%0.758SS**G310 helixtrans-82.5-9.8-157.4-69.7172.6000113.3T307I304-T307 PolarHBondContact O-OG1 3.12Å
305K47.3Very low40.5Very low165 Ų165152.2 Ų152.272%0.71776%0.757SS**G310 helixtrans-75.2-31-164.8-71.9175178.3167.40116.1D303 T307D303-K305 VanDerWaalsContact C-N 3.34Å; D303-K305 PolarHBondContact O-N 3.45Å; K305-T307 VanDerWaalsContact C-N 3.28Å; K305-T307 PolarHBondContact O-N 3.02Å
306D42.6Very low40.9Very low139 Ų139150.9 Ų150.974%0.74375%0.753SS**G310 helixtrans-74.8-15.5-170.7-66.9-17.2000114.2A308D306-A308 PolarHBondContact O-N 3.19Å; D306-A308 VanDerWaalsContact O-N 3.16Å
307T47.5Very low40.6Very low84 Ų84149.3 Ų149.352%0.51575%0.751SS.*G310 helixtrans-61.9-26.1-177.5-38.80000113.2I304 K305 H309I304-T307 PolarHBondContact O-OG1 3.12Å; K305-T307 VanDerWaalsContact C-N 3.28Å; K305-T307 PolarHBondContact O-N 3.02Å; T307-H309 VanDerWaalsContact C-N 3.3Å; T307-H309 PolarHBondContact O-N 3.14Å
308A45.4Very low40.4Very low73 Ų73147.7 Ų147.760%0.60376%0.759SS**G310 helixtrans-66.7-25.3-171.500000114.6D306D306-A308 PolarHBondContact O-N 3.19Å; D306-A308 VanDerWaalsContact O-N 3.16Å
309H44.5Very low40.2Very low161 Ų161142.4 Ų142.475%0.74576%0.757SS**G310 helixtrans-85.8-25.4-174.2-74.8-90.6000114T307T307-H309 VanDerWaalsContact C-N 3.3Å; T307-H309 PolarHBondContact O-N 3.14Å
310L44.4Very low39.7Very low134 Ų134146 Ų14670%0.70276%0.763SS**G310 helixtrans-74.1-24.2-178.8-77.9168.3000114.1K312 T313L310-K312 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 2.99Å; L310-T313 PolarHBondContact O-OG1 3.02Å
311W39.7Very low39.5Very low196 Ų196145.2 Ų145.274%0.74276%0.757SS**G310 helixtrans-81.9-9.2-177.5-73.975.6000113.9
312K42.2Very low39Very low176 Ų176147.1 Ų147.177%0.76576%0.757SS**G310 helixtrans-88.5-14-173.6-144.5174-174.11800114.1L310L310-K312 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 2.99Å
313T36.7Very low38.1Very low110 Ų110143.9 Ų143.968%0.67575%0.749SS**SBendtrans-93.1-18.6-177.445.60000114.5L310L310-T313 PolarHBondContact O-OG1 3.02Å
314F35.1Very low37.3Very low182 Ų182148.4 Ų148.480%0.79876%0.759SS**THydrogen-bonded Turntrans-84.9-15.6-174-143.9-91.3000114.5
315N36.3Very low36.3Very low147 Ų147147.6 Ų147.679%0.78676%0.756SS**THydrogen-bonded Turntrans-95.716.8-172.5-71.6-26.7000114.5
316Q40.8Very low35.4Very low173 Ų173147.2 Ų147.281%0.80876%0.756SS**SBendtrans-134.533.7-169.3-150168.21900115.9
317T30.5Very low34.8Very low134 Ų134146.6 Ų146.682%0.82275%0.752SS**SBendtrans-138.8126.2169.350.60000112.6
318G29Very low33.9Very low88 Ų88149.8 Ų149.891%0.90777%0.766SS**  trans93.978.3157.800000117.5
319S31.8Very low33.1Very low115 Ų115151.3 Ų151.380%0.80477%0.772SS**  trans-118.5115.3157.3178.40000110.2
320R31.1Very low32.4Very low246 Ų246151.3 Ų151.393%0.92877%0.773SS**  trans166.6150.8169.3-92.4157.3-157.7-164.76.4106.7
321K32.8Very low31.5Very low184 Ų184151.1 Ų151.180%0.878%0.777SS**  cis-176.7158.8-31.7-150.8-178.1-177.6-172.20104.7
322L27.5Very low31Very low155 Ų155147.9 Ų147.981%0.81277%0.774SS**  trans72.3165.5173.9-47.2176.4000116
323S25Very low30.4Very low98 Ų98149.8 Ų149.869%0.68578%0.777SS**  -177124.4-7048.40000112.8
324Y25.7Very low30Very low213 Ų213148.5 Ų148.584%0.83578%0.778SS**  trans61.5164.1152.7-116.4-116.1000120.9
325D26.9Very low29.6Very low127 Ų127148.6 Ų148.668%0.67978%0.781SS**  trans67.4148.5161.3-64.6-33.4000120.8
326E28.5Very low29.2Very low156 Ų156145.1 Ų145.173%0.72978%0.78SS**  cis-161.3141.9-25.4-146.6-174.7-177.700112.1
327I30.6Very low28.7Very low126 Ų126145.9 Ų145.965%0.64678%0.781SS**  trans49.7144.3147-76.5171000124.7
328N27.5Very low28.6Very low151 Ų151148 Ų14881%0.80778%0.781SS**  trans72.4151.1161.8-80.5-24.9000118.7
329S29.8Very low28.6Very low106 Ų106151 Ų15174%0.74178%0.777SS**  cis-145.3173.911.957.60000110.3
330Q28.7Very low29.3Very low161 Ų161151.6 Ų151.675%0.75278%0.778SS**  cis-176.9151.1-26.4171.4178.310.400107.3
331T25.8Very low29.2Very low130 Ų130146 Ų14680%0.79878%0.776SS**  trans130.3147.5163.452.20000112.7
332L28.1Very low29Very low127 Ų127141 Ų14167%0.66578%0.777SS**  cis-165131.8-37.9-135.5173.2000107.4
333Y29.9Very low28.9Very low216 Ų216140.2 Ų140.285%0.84778%0.779SS**  169.8145.5128.9-96.7-69.3000113.5
334A28.1Very low29.1Very low84 Ų84140.8 Ų140.869%0.69478%0.783SS**  trans-41.1170.9176.800000119.1
335E27.2Very low29.3Very low183 Ų183137.7 Ų137.786%0.85579%0.786SS**  cis-175.4142.4-25.2175.9169.8-169.600107.3
336G28.7Very low29.3Very low75 Ų75135.2 Ų135.277%0.77379%0.791SS**  trans170.7112175.100000113.9
337K30.2Very low29.5Very low188 Ų188136.9 Ų136.982%0.81780%0.798SS**  trans-92.1154177.1-60.7174.7-177.3171.90111.3
338Q27Very low29.3Very low178 Ų178137.8 Ų137.883%0.83280%0.804SS**  -176.8144.2124.2-89.9-67.92.300108.2
339N29.5Very low29.7Very low153 Ų153135.4 Ų135.482%0.81880%0.799SS**  trans-112.1-156.4177.1-59.8-17000110.2
340P46.3Very low29.7Very low126 Ų126138.2 Ų138.282%0.81881%0.806SS**  -128.1166.8-11736.7-16.1000116.2
341S29.1Very low29.9Very low128 Ų128137.9 Ų137.990%0.89581%0.809SS**  trans-162.2155.4163.159.20000112.6
342G28.8Very low30.1Very low79 Ų79135.4 Ų135.481%0.81481%0.809SS**  trans115.991.7167.100000115.8
343T25.7Very low30.5Very low140 Ų140136.8 Ų136.886%0.85981%0.812SS**  trans-107.9127.3179.3-48.60000111.8
344S28.8Very low30.7Very low110 Ų110133.1 Ų133.177%0.76981%0.806SS**  trans-175.9109.3140.756.20000114.5
345V28.9Very low30.7Very low148 Ų148135.7 Ų135.790%0.89781%0.808SS**  trans21.5126.3138.9-171.70000119.7
346G27.3Very low31.1Very low75 Ų75136.2 Ų136.277%0.77381%0.808SS**  trans171.3114.8160.500000111.9
347E33.1Very low31.5Very low191 Ų191139 Ų13989%0.89380%0.803SS**  trans-89.5134.5179.8-63.4164.4124.200110.3
348D27.4Very low32.1Very low144 Ų144134.2 Ų134.277%0.7779%0.794SS**  172139.8103.4-122.1-43.4000115.3
349S34.6Very low33.6Very low101 Ų101130 Ų13071%0.70678%0.78SS**  trans36148142.7-59.30000126.6
350D29.8Very low34.6Very low165 Ų165128.9 Ų128.988%0.88277%0.773SS**  trans76.597.3155.7-75.24.2000123.4G352D350-G352 PolarHBondContact O-N 2.97Å
351L33.8Very low34.6Very low155 Ų155133 Ų13381%0.81277%0.773SS**  trans-83.597.9166.8178.271.1000112.2Q353L351-Q353 VanDerWaalsContact C-N 3.33Å; L351-Q353 HydrophobicContact CG-CB 4.42Å; L351-Q353 PolarHBondContact O-N 3.22Å
352G29.6Very low36Very low78 Ų78129.3 Ų129.380%0.80475%0.747SS**  trans-79.447.7-17800000117.2D350D350-G352 PolarHBondContact O-N 2.97Å
353Q35.9Very low37.7Very low156 Ų156128.9 Ų128.973%0.72973%0.725SS**  trans-98108.1-175.5-144.9168.924.500113.4L351 N355L351-Q353 VanDerWaalsContact C-N 3.33Å; L351-Q353 HydrophobicContact CG-CB 4.42Å; L351-Q353 PolarHBondContact O-N 3.22Å; Q353-N355 PolarHBondContact O-N 3.49Å; Q353-N355 VanDerWaalsContact O-N 3.09Å
354I34Very low39.6Very low139 Ų139126.6 Ų126.671%0.71371%0.707SS**  trans-8092.4-167.2-53.4176.4000112.5F356I354-F356 HydrophobicContact CG2-CD2 3.68Å; I354-F356 HydrophobicContact CG2-CE2 3.6Å; I354-F356 HydrophobicContact CG2-CZ 4.44Å; I354-F356 PolarHBondContact O-N 3.35Å
355N29.3Very low40.9Very low137 Ų137127.5 Ų127.573%0.73370%0.699SS**  trans-86.4102.4169-88.1-40.7000111.9Q353 I357Q353-N355 PolarHBondContact O-N 3.49Å; Q353-N355 VanDerWaalsContact O-N 3.09Å; N355-I357 PolarHBondContact O-N 3.47Å
356F35.7Very low42.4Very low194 Ų194127.8 Ų127.885%0.85169%0.688SS**  trans-74.760.6174-92.5-74.9000113.2I354 S358I354-F356 HydrophobicContact CG2-CD2 3.68Å; I354-F356 HydrophobicContact CG2-CE2 3.6Å; I354-F356 HydrophobicContact CG2-CZ 4.44Å; I354-F356 PolarHBondContact O-N 3.35Å; F356-S358 PolarHBondContact O-N 3.21Å
357I36.1Very low43.9Very low133 Ų133132.5 Ų132.568%0.68268%0.683SS**  trans-9295.5169.1-58.5179.9000108.8N355 T359N355-I357 PolarHBondContact O-N 3.47Å; I357-T359 PolarHBondContact O-N 3.05Å
358S44.4Very low44.7Very low88 Ų88129.9 Ų129.962%0.61568%0.675SS**  trans-69.990.7174.355.70000111F356F356-S358 PolarHBondContact O-N 3.21Å
359T58.2Low45.9Very low90 Ų90129.2 Ų129.255%0.55267%0.67SS**  trans-60.8148.4178.157.60000112I357 R361 S362I357-T359 PolarHBondContact O-N 3.05Å; T359-R361 PolarHBondContact O-N 3.37Å; T359-S362 WeakPolarHBondContact O-CB 3.47Å; T359-S362 PolarHBondContact O-N 3.14Å
360L49.7Very low46.7Very low129 Ų129127.2 Ų127.268%0.67567%0.666SS**Hα-helixtrans-52.5-31.5-175.8-101.5164.4000114.1S362 I363 I364L360-S362 VanDerWaalsContact C-N 3.32Å; L360-S362 PolarHBondContact O-N 2.77Å; L360-I363 PolarHBondContact O-N 2.91Å; L360-I364 WeakPolarHBondContact O-CG1 3.33Å; L360-I364 PolarHBondContact O-N 3.48Å
361R47.4Very low47.9Very low212 Ų212123 Ų12380%0.865%0.654SS**Hα-helixtrans-54.1-44.1173.3-84.2-176.9170.3171.1-2.4112.7T359 I363 I364 Q365T359-R361 PolarHBondContact O-N 3.37Å; R361-I363 VanDerWaalsContact C-N 3.34Å; R361-I363 PolarHBondContact O-N 3.35Å; R361-I364 PolarHBondContact O-N 3.35Å; R361-Q365 VanDerWaalsContact O-CB 3.31Å; R361-Q365 WeakPolarHBondContact O-CB 3.49Å; R361-Q365 PolarHBondContact O-N 2.95Å
362S58.3Low48.4Very low51 Ų51122 Ų12236%0.35765%0.649SS.*Hα-helixtrans-63.6-40.1-180-177.10000112T359 L360 K366T359-S362 WeakPolarHBondContact O-CB 3.47Å; T359-S362 PolarHBondContact O-N 3.14Å; L360-S362 VanDerWaalsContact C-N 3.32Å; L360-S362 PolarHBondContact O-N 2.77Å; S362-K366 PolarHBondContact O-N 3.47Å
363I63.2Low49Very low70 Ų70127 Ų12736%0.35965%0.651SS.*Hα-helixtrans-69-40.3178.9-60.2172.6000111.1L360 R361 R367L360-I363 PolarHBondContact O-N 2.91Å; R361-I363 VanDerWaalsContact C-N 3.34Å; R361-I363 PolarHBondContact O-N 3.35Å; I363-R367 PolarHBondContact O-N 3.4Å
364I65.6Low49Very low92 Ų92129.9 Ų129.947%0.47266%0.657SS.*Hα-helixtrans-67.8-45.8176.4-66.6163.7000110.4L360 R361 K366 R367 N368L360-I364 WeakPolarHBondContact O-CG1 3.33Å; L360-I364 PolarHBondContact O-N 3.48Å; R361-I364 PolarHBondContact O-N 3.35Å; I364-K366 PolarHBondContact O-N 3.32Å; I364-R367 PolarHBondContact O-N 3.27Å; I364-N368 PolarHBondContact O-N 3.16Å; I364-N368 PolarHBondContact O-OD1 3.48Å
365Q57.6Low49Very low130 Ų130128.6 Ų128.661%0.60766%0.66SS**Hα-helixtrans-62.4-41.3179.6-169.3172.35.100112.1R361 N368 L369R361-Q365 VanDerWaalsContact O-CB 3.31Å; R361-Q365 WeakPolarHBondContact O-CB 3.49Å; R361-Q365 PolarHBondContact O-N 2.95Å; Q365-N368 PolarHBondContact O-N 3.28Å; Q365-L369 HydrophobicContact CG-CD1 4.32Å; Q365-L369 PolarHBondContact O-N 3.3Å
366K59.5Low49.2Very low153 Ų153126.4 Ų126.467%0.66566%0.656SS**Hα-helixtrans-64-37.2173.6-78.4-170.2174.8-173.10113.3S362 I364 L369S362-K366 PolarHBondContact O-N 3.47Å; I364-K366 PolarHBondContact O-N 3.32Å; K366-L369 PolarHBondContact O-N 3.18Å
367R58.3Low48.9Very low175 Ų175124.5 Ų124.566%0.6665%0.654SS**Hα-helixtrans-64.5-42.1174-87.8-172.8164.287.5-1.8112.3I363 I364 L369 G370I363-R367 PolarHBondContact O-N 3.4Å; I364-R367 PolarHBondContact O-N 3.27Å; R367-L369 PolarHBondContact O-N 3.47Å; R367-G370 PolarHBondContact O-N 3.08Å
368N49.6Very low48.7Very low135 Ų135123 Ų12372%0.72266%0.656SS**Hα-helixtrans-68.7-18.5-179.6-67.20.6000113.5I364 Q365I364-N368 PolarHBondContact O-N 3.16Å; I364-N368 PolarHBondContact O-OD1 3.48Å; Q365-N368 PolarHBondContact O-N 3.28Å
369L54.3Low48.2Very low130 Ų130127.7 Ų127.768%0.68167%0.668SS**THydrogen-bonded Turntrans-91.86.6177.2-91.2152.5000114.2Q365 K366 R367 A371Q365-L369 HydrophobicContact CG-CD1 4.32Å; Q365-L369 PolarHBondContact O-N 3.3Å; K366-L369 PolarHBondContact O-N 3.18Å; R367-L369 PolarHBondContact O-N 3.47Å; L369-A371 PolarHBondContact O-N 2.86Å
370G50.8Low46.9Very low59 Ų59131.4 Ų131.461%0.60868%0.684SS**THydrogen-bonded Turntrans68.82.1171.200000116.5R367 N372R367-G370 PolarHBondContact O-N 3.08Å; G370-N372 VanDerWaalsContact C-N 3.31Å; G370-N372 PolarHBondContact O-N 3.32Å
371A54.9Low45.9Very low76 Ų76131.8 Ų131.863%0.62869%0.692SS**  trans-78.466.6-169.500000114L369L369-A371 PolarHBondContact O-N 2.86Å
372N44Very low45Very low135 Ų135128 Ų12872%0.72269%0.692SS**  trans-111.554.9174.8-73-46.7000112.4G370G370-N372 VanDerWaalsContact C-N 3.31Å; G370-N372 PolarHBondContact O-N 3.32Å
373H41.4Very low43.5Very low183 Ų183131 Ų13185%0.84771%0.713SS**  trans-96111.9164.9-79.5-80.5000109.9S375H373-S375 PolarHBondContact O-N 3.03Å
374Y36.3Very low42.3Very low216 Ų216133.7 Ų133.785%0.84774%0.735SS**  trans-9187.4-175.3-163.4-90.6000110.3S376Y374-S376 WeakPolarHBondContact CE1-OG 3.13Å
375S33.8Very low40.5Very low112 Ų112132.6 Ų132.678%0.78375%0.746SS**  trans-101.9100.4175.655.70000110.6H373H373-S375 PolarHBondContact O-N 3.03Å
376S34.7Very low39.5Very low91 Ų91132.7 Ų132.764%0.63676%0.758SS**  trans-92.5101.5175.8-57.80000111.1Y374Y374-S376 WeakPolarHBondContact CE1-OG 3.13Å
377D29.2Very low38.2Very low154 Ų154130.3 Ų130.382%0.82477%0.767SS**  trans-154.8166.4161.6-148.3-24.6000110.9
378S32.4Very low36.8Very low102 Ų102128.6 Ų128.671%0.71378%0.776SS**  trans66.190.8172-61.90000117.6
379Q33.9Very low36Very low186 Ų186126.2 Ų126.287%0.86978%0.775SS**  trans-119.796.7134.3-76-165.3-0.100109.6
380L30.6Very low34.9Very low169 Ų169128.3 Ų128.389%0.88578%0.782SS**  trans-125.5112.3156.7-78.7178.1000107.5
381T28.8Very low34Very low137 Ų137132.5 Ų132.584%0.8479%0.79SS**  trans-94.9107.3-177.949.90000110.4
382T28Very low33.1Very low133 Ų133136.8 Ų136.882%0.81680%0.801SS**  trans-119.8106.2166.150.60000109.3
383S27Very low32.7Very low114 Ų114139.3 Ų139.380%0.79781%0.805SS**PPolyproline II helixtrans-69.5140.1177.349.10000111.9
384P36.5Very low32.3Very low126 Ų126135.7 Ų135.782%0.81880%0.801SS**PPolyproline II helixtrans-78147177.132.5-34.9000112.4
385G27.9Very low32Very low68 Ų68131.3 Ų131.370%0.70180%0.796SS**PPolyproline II helixtrans-96.1147.4158.400000110.2
386P37.7Very low32Very low133 Ų133134 Ų13486%0.86480%0.8SS**PPolyproline II helixtrans-79.8146-173.332-35.2000112.9
387A31.2Very low31.8Very low103 Ų103132.8 Ų132.885%0.85180%0.802SS**  trans-114.7137.8161.300000108.8
388T29.5Very low32.2Very low139 Ų139135 Ų13585%0.85380%0.804SS**  trans-97.1174.6-177.7480000112.2
389A33.1Very low32.4Very low84 Ų84139.6 Ų139.669%0.69481%0.811SS**  trans98.5119.5151.900000119.1
390E30.8Very low32.4Very low175 Ų175140 Ų14082%0.81881%0.81SS**  trans64.6108.5144.5-50.1-53.695.400122.5
391D32Very low32.4Very low146 Ų146138.9 Ų138.978%0.78180%0.803SS**  trans-8147.1139.8-70.9-4.9000120.2
392I36.2Very low32.4Very low167 Ų167140.1 Ų140.186%0.85680%0.804SS**  -171.7148.1102.1-93.3164.5000112.8
393K36.2Very low32.5Very low187 Ų187138.5 Ų138.581%0.81380%0.798SS**  trans-54.9152.1-173.9-58.2157.1176.51640116.9
394S31.6Very low33.4Very low108 Ų108139.1 Ų139.176%0.75580%0.799SS**  124.3134116.772.80000121
395V30.9Very low33.1Very low124 Ų124138.1 Ų138.175%0.75280%0.795SS**  trans69.8109.5139.2172.20000120.9
396I33.9Very low34.5Very low169 Ų169140.1 Ų140.187%0.86780%0.796SS**  36143.5125.3-10770.4000120.4
397G29.9Very low34Very low65 Ų65138.9 Ų138.967%0.6779%0.79SS**  trans-165.8-66.9168.300000121.4
398K37.3Very low33.9Very low200 Ų200141.6 Ų141.687%0.8779%0.79SS**  trans67.9152.7-173.9-51.2174.9177.4173.80117.3
399K37.8Very low33.9Very low199 Ų199142.5 Ų142.587%0.86579%0.789SS**  trans77.1119.2171.6-50.8176.7-174.8176.20114.1
400K34.1Very low33.6Very low195 Ų195143.7 Ų143.785%0.84879%0.792SS**  cis86.1115.830.3-161.4-160-170.2-175.40113
401I30.1Very low33.6Very low144 Ų144140.7 Ų140.774%0.73879%0.79SS**  trans144.5125.4144.4-77.5164.7000114.2
402L29.6Very low33.7Very low163 Ų163138.7 Ų138.785%0.85379%0.787SS**  trans60.3136.8154-74167.5000124.9
403S29.1Very low33.8Very low100 Ų100140.1 Ų140.170%0.69978%0.782SS**  trans-90.3168.4153.160.50000109.8
404P45.4Very low33.6Very low126 Ų126137.1 Ų137.182%0.81877%0.771SS**  -149.1-169.668.139.8-17.8000116.3
405S30.8Very low33.7Very low105 Ų105138.9 Ų138.973%0.73477%0.771SS**  trans-103.4-162.7176.560.50000111.1
406P57.1Low33.6Very low111 Ų111138.8 Ų138.872%0.72177%0.771SS**  cis-138.3-150-6.342.3-21.2000114.4
407S26.9Very low33.3Very low106 Ų106138.6 Ų138.674%0.74177%0.766SS**  trans98.9153.316384.30000117.9
408L30Very low33.3Very low160 Ų160141.3 Ų141.384%0.83877%0.765SS**  cis-165-170.5-18.6-112.7174.4000110.8
409L29.1Very low32.9Very low159 Ų159140.3 Ų140.383%0.83277%0.766SS**  trans86.9135.7175-51.7172.3000115.8
410S27.6Very low33Very low108 Ų108136.1 Ų136.176%0.75576%0.759SS**  cis83.1140.817.1-146.80000114.9
411S29.2Very low33.6Very low112 Ų112132.5 Ų132.578%0.78376%0.755SS**  cis-159.2-167.720.2-167.10000112.9
412S34.2Very low33.9Very low104 Ų104131.2 Ų131.273%0.72775%0.754SS**  trans94.5148.5165.6-158.70000117.1
413R38.8Very low34.2Very low198 Ų198129 Ų12975%0.74775%0.75SS**  cis-172.3171.1-25.2-96.6-166.3114.9175.2-4.2107.1
414E33Very low34.1Very low123 Ų123131.5 Ų131.558%0.57575%0.754SS**  cis-176.3172.3-32.3-164.2172-66.700109.6
415L32.2Very low33.2Very low145 Ų145129.9 Ų129.976%0.75975%0.746SS**  trans75.4154.6166.4-54175.7000119.9
416V29.3Very low33Very low122 Ų122135.5 Ų135.574%0.73975%0.751SS**  cis175.1137.5-48.6141.40000108.9
417E28.9Very low31.6Very low166 Ų166140.7 Ų140.778%0.77676%0.756SS**  trans175.8133.7137.8-96.9-159.4131.700115.9
418N28.1Very low31.6Very low122 Ų122141.2 Ų141.265%0.65275%0.751SS**  trans54.693140.5-51-22.3000124.6
419M28.8Very low31.6Very low178 Ų178141.2 Ų141.288%0.87775%0.747SS**  28.7159.8117.3-63.4-65.117900122.7
420P41.2Very low31.5Very low111 Ų111137.6 Ų137.672%0.72174%0.739SS**  cis-130.4-137.3-30.340-19.5000109
421P45.9Very low31.6Very low119 Ų119141.7 Ų141.777%0.77374%0.744SS**  cis-123.8-144.3-2941.5-22.7000112.6
422V36.7Very low31.7Very low118 Ų118143.7 Ų143.772%0.71575%0.745SS**  trans-147151.2-175.4177.40000111.8L424V422-L424 HydrophobicContact CG1-CG 4.4Å
423P36.4Very low31.9Very low117 Ų117146.2 Ų146.276%0.7675%0.745SS**  -130.1140.1128.939.5-31.5000110.9
424L27.5Very low31.5Very low152 Ų152148.5 Ų148.580%0.79675%0.754SS**  61.113352.7-60.3-178.6000113V422V422-L424 HydrophobicContact CG1-CG 4.4Å
425S24.8Very low31.7Very low92 Ų92152.9 Ų152.964%0.64377%0.765SS**  cis-169.4166.8-10.8-170.70000108.7
426R27.4Very low31.7Very low223 Ų223149 Ų14984%0.84276%0.761SS**  trans68.4160.9169.5-61.6162.1-173.9-168-1.4114.4
427R27.4Very low32.5Very low219 Ų219149.4 Ų149.483%0.82677%0.769SS**  cis-135.4136.16.2-125.2169.5165.6142-5.1107
428N27.6Very low32.5Very low118 Ų118145.5 Ų145.563%0.63177%0.773SS**  62.3149.995.9-63.954.8000115.7
429Q28.9Very low32.8Very low160 Ų160144.2 Ų144.275%0.74878%0.779SS**  cis176.1149.3-13.2173173.86.200109
430A27.4Very low33.1Very low82 Ų82143.6 Ų143.668%0.67878%0.779SS**  trans63.4158.5176.200000114.8
431F29.3Very low32.7Very low194 Ų194144.6 Ų144.685%0.85178%0.777SS**  cis-112.3146.811.6-74-108.4000110.8
432L32.3Very low32.2Very low155 Ų155146.7 Ų146.781%0.81278%0.781SS**  70.712751-140.790.6000114.2
433E37.9Very low31.9Very low156 Ų156146.1 Ų146.173%0.72977%0.774SS**  trans-67.8161.6-176.2-541649500113.7
434R30.7Very low31.9Very low247 Ų247149.3 Ų149.393%0.93278%0.779SS**  trans-144.6134.7133.5-163.8162-70.4-155.8-0.4112
435R37.3Very low32.4Very low214 Ų214148.9 Ų148.981%0.80878%0.776SS**  trans-84.5155.9172.6-60.9175.8180175.3-2.2111
436G32.9Very low32.7Very low65 Ų65149.1 Ų149.167%0.6778%0.783SS**  trans86.1112.4131.100000119
437S44.8Very low33.4Very low130 Ų130147 Ų14791%0.90978%0.783SS**  trans44.8108.4133.158.60000119.9
438G29.9Very low33.9Very low83 Ų83143.3 Ų143.386%0.85678%0.784SS**  trans-157.2143.5157.800000109.2
439A34.7Very low34.3Very low96 Ų96148.7 Ų148.779%0.79380%0.796SS**  trans-100.9165.6-177.400000112
440L34.2Very low34.9Very low165 Ų165147.5 Ų147.586%0.86480%0.802SS**  -174.8162.7123-94.8170.9000111.8
441L32.1Very low35.8Very low131 Ų131146.8 Ų146.869%0.68680%0.803SS**  trans-46.1146.6-171-77.979.8000118
442L35.8Very low36.5Very low164 Ų164147.5 Ų147.586%0.85981%0.806SS**  -156.9155.397.2-139.565.7000113.1
443D30.4Very low37.2Very low106 Ų106148.1 Ų148.157%0.56781%0.809SS**  trans-74.5151.6-173.6-61.9-84.6000113.2
444H35.6Very low37.9Very low184 Ų184145.8 Ų145.885%0.85281%0.808SS**  -156.5142.958.9-87.3-79.6000114.8
445I38.4Very low38.7Very low143 Ų143140.1 Ų140.173%0.73380%0.803SS**  trans-88129.3173.4-63.2165.6000110.2Q447I445-Q447 HydrophobicContact CG2-CB 4.25Å; I445-Q447 HydrophobicContact CG2-CG 4Å
446A32.4Very low39.1Very low97 Ų97137.7 Ų137.780%0.80281%0.805SS**  trans-130.156.8168.300000111.3T448A446-T448 PolarHBondContact O-N 3.28Å
447Q41.4Very low39.5Very low178 Ų178141.9 Ų141.983%0.83281%0.812SS**  trans-69.6109.9169.1-74.9-179.5-3.300109.7I445 R449I445-Q447 HydrophobicContact CG2-CB 4.25Å; I445-Q447 HydrophobicContact CG2-CG 4Å; Q447-R449 PolarHBondContact O-N 3.26Å
448T37.4Very low39.5Very low141 Ų141141.5 Ų141.587%0.86580%0.804SS**PPolyproline II helixtrans-73.6116.9177.341.70000111.1A446A446-T448 PolarHBondContact O-N 3.28Å
449R36.3Very low40Very low231 Ų231144.2 Ų144.287%0.87280%0.799SS**PPolyproline II helixtrans-71.9150.1161.4-79.7-173.5174.2-170.5-0.8109.8Q447Q447-R449 PolarHBondContact O-N 3.26Å
450P42.1Very low40.6Very low135 Ų135144.1 Ų144.188%0.87779%0.79SS**THydrogen-bonded Turntrans-65.7137.9177.428.1-35.1000111.1
451G44.9Very low40.7Very low67 Ų67143.9 Ų143.969%0.69178%0.784SS**THydrogen-bonded Turntrans154.3-24.3171.900000116.3
452F45.3Very low40.8Very low209 Ų209149.2 Ų149.292%0.91780%0.795SS**  trans-135.6141.6-175.8-69.5-85.4000112.6
453L46.4Very low40.8Very low169 Ų169149.6 Ų149.689%0.88579%0.792SS**PPolyproline II helixtrans-85.3145.9173.3-74.2166.6000110.8
454P51.8Low41.2Very low107 Ų107151 Ų15170%0.69580%0.798SS**PPolyproline II helixtrans-69.5152172.830.5-34.8000111.5
455P48.5Very low41.6Very low128 Ų128148.5 Ų148.583%0.83180%0.799SS**PPolyproline II helixtrans-71140.5-176.228.8-35000112.8
456L45.6Very low41.2Very low162 Ų162148 Ų14885%0.84880%0.797SS**PPolyproline II helixtrans-77.4121.4172.5-67.1173.6000110.2V458L456-V458 PolarHBondContact O-N 3.42Å; L456-V458 VanDerWaalsContact O-N 3.08Å
457N40.8Very low41.5Very low153 Ų153149.4 Ų149.482%0.81880%0.796SS**  trans-82.289.3-176.1-146.825000110.8
458V45.3Very low40.9Very low122 Ų122144.9 Ų144.974%0.73978%0.784SS**  trans-88.8107.4179-179.60000109.8L456 P460L456-V458 PolarHBondContact O-N 3.42Å; L456-V458 VanDerWaalsContact O-N 3.08Å; V458-P460 WeakPolarHBondContact O-CD 3.33Å
459N40.5Very low40.7Very low141 Ų141147.1 Ų147.175%0.75478%0.782SS**  trans-81.8114.9172.8-75.2-13.9000111.2
460P47.6Very low40.7Very low93 Ų93143.4 Ų143.460%0.60478%0.778SS**  trans-72.1176.3156.731.5-32.5000111V458V458-P460 WeakPolarHBondContact O-CD 3.33Å
461H35.7Very low40.3Very low161 Ų161144.2 Ų144.275%0.74578%0.775SS**  trans71.181.3177.7-45.9-72.6000116.2
462R34.8Very low39.8Very low242 Ų242150.3 Ų150.391%0.91378%0.782SS**  trans-84.5144.2143.6-75.8-175.9177.3176-0.8108.9
463H35.8Very low39.2Very low173 Ų173146.5 Ų146.580%0.80178%0.775SS**  trans-122.6147.7158.1-81.3-89.7000109.9
464I39.6Very low38.5Very low134 Ų134144.3 Ų144.369%0.68777%0.774SS**  trans-103.6149.9-175-61.7160.4000108D466I464-D466 HydrophobicContact CG2-CB 4.19Å
465P42.7Very low37.4Very low133 Ų133143 Ų14386%0.86478%0.781SS**  -123.8151.8128.626.4-13.7000111.6
466D30.5Very low36.8Very low132 Ų132145.5 Ų145.571%0.70678%0.783SS**  trans-121.3161-164.5-130.8-31.7000110.1I464I464-D466 HydrophobicContact CG2-CB 4.19Å
467V38Very low36.2Very low126 Ų126145 Ų14576%0.76478%0.78SS**  trans64.7125.8153165.40000116.4
468S30.2Very low35.6Very low83 Ų83142.5 Ų142.558%0.5877%0.774SS**  cis-178.6174.212.448.80000115.7
469F31.3Very low35Very low188 Ų188143 Ų14383%0.82578%0.782SS**  trans89.7131.3138.3-85.1-50.3000124.3
470I38Very low34.5Very low154 Ų154140.1 Ų140.179%0.7979%0.785SS**  trans95.6122148.9-67.2157.3000119.6
471N32.7Very low34.1Very low152 Ų152144.8 Ų144.881%0.81380%0.799SS**  trans-83.4147.1170.1-66.8-35.7000112.5
472K34.4Very low34.3Very low195 Ų195146.7 Ų146.785%0.84881%0.805SS**  trans-168.7116.1136.4-103.7154.8-176.8179.80109.6
473V32.3Very low34.3Very low128 Ų128142.7 Ų142.778%0.77680%0.802SS**  85.4114.487167.90000113.8
474S31.8Very low34.3Very low123 Ų123142.6 Ų142.686%0.8681%0.806SS**  trans20135.2150.1-480000122.6
475G29.1Very low34.4Very low80 Ų80142 Ų14283%0.82581%0.808SS**  trans-169.3123.3157.400000112.3
476M35.6Very low34.2Very low180 Ų180141.4 Ų141.489%0.88781%0.805SS**  trans-111.6173.2176.4-72169.65300111.1
477I32.8Very low34.3Very low153 Ų153141.5 Ų141.579%0.78581%0.81SS**  trans110.1136.8152-59.4163.5000117.4
478S29.6Very low34.3Very low100 Ų100139.4 Ų139.470%0.69981%0.806SS**  trans71.998.4160.6-75.90000122.3
479C31.6Very low34.6Very low132 Ų132140.8 Ų140.889%0.89281%0.813SS**  35.9118.5104.8-56.90000119.8
480G30.9Very low34.6Very low80 Ų80136.6 Ų136.683%0.82581%0.813SS**  trans-158.6109.6158.700000111.2
481Q39.2Very low34.7Very low191 Ų191138.1 Ų138.189%0.89382%0.815SS**  trans-70.6139.5-179.8-66.7171.7-53.900111.9
482K38.6Very low35Very low201 Ų201136.6 Ų136.687%0.87481%0.813SS**  trans-160.7134.8147.7-106.7148-169.6176.60110.6
483N36.3Very low35.2Very low158 Ų158137.1 Ų137.185%0.84582%0.815SS**  trans-73.4133.8-178.1-60.3-23.1000110.3
484L36.2Very low35.1Very low172 Ų172140.1 Ų140.190%0.90182%0.821SS**  trans-129.1123.3164.6-72.8176.4000109.4
485V41.5Very low35.4Very low120 Ų120140.6 Ų140.673%0.72782%0.818SS**  trans-87.2134.6-178.81750000109.3T487V485-T487 PolarHBondContact O-N 3.26Å; V485-T487 VanDerWaalsContact O-N 3.14Å
486P38.3Very low36.3Very low122 Ų122146.3 Ų146.379%0.79282%0.821SS**  trans-76.697.7171.830.5-32.8000110.5A488P486-A488 PolarHBondContact O-N 3.17Å; P486-A488 VanDerWaalsContact O-N 3.12Å
487T32.8Very low36.3Very low133 Ų133145.3 Ų145.382%0.81682%0.819SS**  trans-74.398.9177.4-530000111.2V485V485-T487 PolarHBondContact O-N 3.26Å; V485-T487 VanDerWaalsContact O-N 3.14Å
488A37Very low36.8Very low82 Ų82147.3 Ų147.368%0.67883%0.825SS**PPolyproline II helixtrans-80.5142.4169.400000111.3P486P486-A488 PolarHBondContact O-N 3.17Å; P486-A488 VanDerWaalsContact O-N 3.12Å
489P37.6Very low37.6Very low112 Ų112152.3 Ų152.373%0.72783%0.834SS**PPolyproline II helixtrans-68.4134.9175.328.5-34000111.1
490A31.2Very low38.2Very low100 Ų100154.4 Ų154.483%0.82683%0.833SS**PPolyproline II helixtrans-82.2125.7-173.400000112.8
491F39.5Very low38.8Very low187 Ų187159 Ų15982%0.8284%0.838SS**PPolyproline II helixtrans-96.8122.2162.2-73.4-86.9000109.5
492P39.3Very low39.2Very low120 Ų120156 Ų15678%0.77983%0.832SS**PPolyproline II helixtrans-71.2149.9174.129.9-33.6000111.2
493K38.2Very low39.5Very low205 Ų205157.4 Ų157.489%0.89183%0.832SS**PPolyproline II helixtrans-81.6128.7175.7-61.1168.1-178.3171.10109.6
494E30.4Very low40.2Very low192 Ų192161.3 Ų161.390%0.89784%0.835SS**  trans-106.1141.5158.4-71-160.2146.400110.9
495T37.1Very low40.6Very low132 Ų132161 Ų16181%0.8183%0.829SS**  trans-93.6151.9-17341.30000112.3N497T495-N497 PolarHBondContact O-N 3.2Å
496K48.1Very low41.1Very low200 Ų200158.5 Ų158.587%0.8782%0.817SS**  trans-52.7134.2-176.3-58.4169.4-178.3174.50112.2
497N36.6Very low41.6Very low160 Ų160159 Ų15986%0.85681%0.812SS**  trans-139.6125151.2-93.4-53.6000109.6T495T495-N497 PolarHBondContact O-N 3.2Å
498Q43.7Very low42.6Very low195 Ų195158.8 Ų158.891%0.91180%0.802SS**  trans-77.5139.7-178.8-69.4171.6-4500110.7
499K45.3Very low43.4Very low204 Ų204158.1 Ų158.189%0.88779%0.789SS**  trans-128.3131.2158.2-72.2-174.1177.5177.40108.7
500M45.3Very low44.3Very low176 Ų176159.1 Ų159.187%0.86778%0.784SS**  trans-69.1130.8-171.2-66.6160.361.800111.4V502M500-V502 PolarHBondContact O-N 3.43Å; M500-V502 VanDerWaalsContact O-N 3.08Å
501L41.9Very low45.4Very low177 Ų177160 Ų16093%0.92777%0.772SS**  trans-74.595.6168.7-74.8172.9000109.7R503L501-R503 PolarHBondContact O-N 3.02Å
502V49Very low46.3Very low128 Ų128156.4 Ų156.478%0.77676%0.759SS**  trans-66114.6170.4179.50000108.8M500 R504M500-V502 PolarHBondContact O-N 3.43Å; M500-V502 VanDerWaalsContact O-N 3.08Å; V502-R504 PolarHBondContact O-N 3.46Å
503R44.8Very low47Very low230 Ų230158.2 Ų158.287%0.86876%0.755SS**  trans-62.2114.5178-161.4178-160.5140.30.6109L501 Q505L501-R503 PolarHBondContact O-N 3.02Å; R503-Q505 PolarHBondContact O-N 3.4Å
504R50.9Low47.9Very low241 Ų241155.6 Ų155.691%0.90975%0.746SS**PPolyproline II helixtrans-56.9124.8173.6-70.9-174.4177.9-174.6-0.8108.7V502V502-R504 PolarHBondContact O-N 3.46Å
505Q43.8Very low49.2Very low165 Ų165153 Ų15377%0.77174%0.738SS**PPolyproline II helixtrans-68.3148.9175.8-69.4-179.3-15.200109.9R503R503-Q505 PolarHBondContact O-N 3.4Å
506S51.6Low50.1Low68 Ų68152 Ų15248%0.47673%0.731SS.*PPolyproline II helixtrans-70.7138.7176.9179.60000110.2Q508 T509S506-Q508 PolarHBondContact O-N 3.34Å; S506-T509 PolarHBondContact O-N 3.02Å; S506-T509 PolarHBondContact O-OG1 2.88Å
507L49.8Very low50.3Low133 Ų133149.1 Ų149.170%0.69673%0.725SS**THydrogen-bonded Turntrans-52.6-23.1175.8-106.4158.3000113.7T509 E510L507-T509 VanDerWaalsContact C-N 3.29Å; L507-T509 PolarHBondContact O-N 3.36Å; L507-E510 PolarHBondContact O-N 3.01Å
508Q54.4Low50.9Low128 Ų128153.5 Ų153.560%0.59874%0.737SS**Hα-helixtrans-59.8-30.6174.7-77.3175.3-49.700114.1S506 E510 Q511 I512S506-Q508 PolarHBondContact O-N 3.34Å; Q508-E510 VanDerWaalsContact C-N 3.29Å; Q508-E510 PolarHBondContact O-N 3.22Å; Q508-Q511 PolarHBondContact O-N 3.03Å; Q508-I512 WeakPolarHBondContact O-CG1 3.31Å; Q508-I512 PolarHBondContact O-N 3.46Å; Q508-I512 VanDerWaalsContact O-N 3.14Å
509T53Low51.3Low67 Ų67151.4 Ų151.441%0.41173%0.728SS.*Hα-helixtrans-74.2-17-175.150.60000114.2S506 L507S506-T509 PolarHBondContact O-N 3.02Å; S506-T509 PolarHBondContact O-OG1 2.88Å; L507-T509 VanDerWaalsContact C-N 3.29Å; L507-T509 PolarHBondContact O-N 3.36Å
510E56.2Low51.6Low134 Ų134148.6 Ų148.663%0.62672%0.72SS**Hα-helixtrans-89.2-38.4173.1-62.7-164.8137.200111.8L507 Q508 I512 K513 Q514L507-E510 PolarHBondContact O-N 3.01Å; Q508-E510 VanDerWaalsContact C-N 3.29Å; Q508-E510 PolarHBondContact O-N 3.22Å; E510-I512 VanDerWaalsContact C-N 3.29Å; E510-I512 PolarHBondContact O-N 3.37Å; E510-K513 WeakPolarHBondContact O-CB 3.39Å; E510-K513 PolarHBondContact O-N 2.92Å; E510-Q514 PolarHBondContact O-N 2.87Å
511Q53.9Low51.9Low119 Ų119147.1 Ų147.156%0.55671%0.712SS**Hα-helixtrans-59.9-39.3174.3-67.7-178.5-3400112Q508 K513 Q514Q508-Q511 PolarHBondContact O-N 3.03Å; Q511-K513 VanDerWaalsContact C-N 3.32Å; Q511-K513 PolarHBondContact O-N 2.92Å; Q511-Q514 PolarHBondContact O-N 3.49Å
512I59Low52.5Low110 Ų110145.4 Ų145.456%0.56470%0.699SS**Hα-helixtrans-64.4-35.4174.8-68.2166.7000111.6Q508 E510 Q514 L515Q508-I512 WeakPolarHBondContact O-CG1 3.31Å; Q508-I512 PolarHBondContact O-N 3.46Å; Q508-I512 VanDerWaalsContact O-N 3.14Å; E510-I512 VanDerWaalsContact C-N 3.29Å; E510-I512 PolarHBondContact O-N 3.37Å; I512-Q514 PolarHBondContact O-N 3.09Å; I512-L515 PolarHBondContact O-N 3.03Å
513K54.9Low52.7Low159 Ų159146.4 Ų146.469%0.69169%0.694SS**Hα-helixtrans-69.3-30.9178-76.7179.9176.1-179.50113.3E510 Q511 L515E510-K513 WeakPolarHBondContact O-CB 3.39Å; E510-K513 PolarHBondContact O-N 2.92Å; Q511-K513 VanDerWaalsContact C-N 3.32Å; Q511-K513 PolarHBondContact O-N 2.92Å; K513-L515 VanDerWaalsContact C-N 3.28Å; K513-L515 PolarHBondContact O-N 3.48Å
514Q55.8Low53.3Low150 Ų150140.9 Ų140.970%0.70168%0.682SS**Hα-helixtrans-73.8-19.4177.1-70.9-175.1-2800113.2E510 Q511 I512E510-Q514 PolarHBondContact O-N 2.87Å; Q511-Q514 PolarHBondContact O-N 3.49Å; I512-Q514 PolarHBondContact O-N 3.09Å
515L57.1Low53.4Low138 Ų138133.7 Ų133.772%0.72367%0.666SS**THydrogen-bonded Turntrans-90.63.2177.5-69.2170.8000114.3I512 K513I512-L515 PolarHBondContact O-N 3.03Å; K513-L515 VanDerWaalsContact C-N 3.28Å; K513-L515 PolarHBondContact O-N 3.48Å
516V56.7Low54.2Low109 Ų109131.3 Ų131.366%0.66166%0.658SS**SBendtrans-98.8-6.6178173.80000112.4
517N53Low54.4Low140 Ų140136.6 Ų136.675%0.74967%0.673SS**  trans-11338.5-179.4-70.1-0.5000112.7
518F48.7Very low54.8Low252 Ų252136.9 Ų136.9100%1.10567%0.671SS**  trans-134.40171.8-83.2-75.7000109.9

Retrieved 518 of 518 residues in 277.9 ms (Link to these results)

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