A0A3Q0KS29_SCHMA Loading...

UNC93-like protein MFSD11

AlphaFold DB , UniProt , Accession A0A3Q0KS29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 457 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
1M38.2Very low81Confident213 Ų21375.5 Ų75.5100%1.04939%0.388SS*.  0101.40-148.5169.589.500106.9I3M1-I3 HydrophobicContact CE-CD1 4.21Å; M1-I3 HydrophobicContact CE-CG1 3.93Å; M1-I3 PolarHBondContact O-N 3.32Å
2N49.4Very low82.3Confident175 Ų17571.2 Ų71.294%0.93637%0.365SS*.  trans-71.683.3176.1-81.2-9.8000107.9N4N2-N4 PolarHBondContact O-N 3.11Å
3I64Low83.5Confident101 Ų10165.7 Ų65.752%0.51834%0.337SS..  trans-60.8123.4171.6-59.6175.3000105.9M1 L5 Y8M1-I3 HydrophobicContact CE-CD1 4.21Å; M1-I3 HydrophobicContact CE-CG1 3.93Å; M1-I3 PolarHBondContact O-N 3.32Å; I3-L5 PolarHBondContact O-N 3.08Å; I3-Y8 HydrophobicContact CG2-CD2 4.48Å
4N86.5Confident84.4Confident85 Ų8561 Ų6146%0.45531%0.313SS..  trans-57.1111172.5-179.5-30.3000108N2 N6 I7 Y8N2-N4 PolarHBondContact O-N 3.11Å; N4-N6 PolarHBondContact O-N 3.1Å; N4-N6 VanDerWaalsContact O-N 3.17Å; N4-N6 WeakPolarHBondContact OD1-CB 3.4Å; N4-N6 PolarHBondContact OD1-N 2.8Å; N4-N6 VanDerWaalsContact OD1-N 3.09Å; N4-I7 HydrophobicContact CB-CB 4.16Å; N4-I7 HydrophobicContact CB-CD1 3.96Å; N4-I7 HydrophobicContact CB-CG1 4.07Å; N4-I7 PolarHBondContact O-N 3.32Å; N4-I7 VanDerWaalsContact O-N 3.11Å; N4-I7 PolarHBondContact OD1-N 3.07Å; N4-Y8 PolarHBondContact O-N 3.23Å
5L89.6Confident85.3Confident54 Ų5461.1 Ų61.128%0.28331%0.314SS..Hα-helixtrans-54.7-36.6-173.8-178.164.7000112.1I3 Y8 N9 R193 H196I3-L5 PolarHBondContact O-N 3.08Å; L5-Y8 WeakPolarHBondContact O-CB 3.42Å; L5-Y8 PolarHBondContact O-N 3.41Å; L5-N9 WeakPolarHBondContact O-CB 3.41Å; L5-N9 PolarHBondContact O-N 3.06Å; L5-R193 HydrophobicContact CD1-CB 3.8Å; L5-R193 VanDerWaalsContact CD1-CD 3.44Å; L5-R193 HydrophobicContact CD1-CG 4.25Å; L5-H196 HydrophobicContact CD2-CB 4.37Å
6N91.1Very high86.1Confident29 Ų2957.4 Ų57.416%0.15530%0.295CS..Hα-helixtrans-71.5-43.8-179-67.5-3.4000111.2N4 Y8 N9 V10 C128N4-N6 PolarHBondContact O-N 3.1Å; N4-N6 VanDerWaalsContact O-N 3.17Å; N4-N6 WeakPolarHBondContact OD1-CB 3.4Å; N4-N6 PolarHBondContact OD1-N 2.8Å; N4-N6 VanDerWaalsContact OD1-N 3.09Å; N6-Y8 VanDerWaalsContact C-N 3.31Å; N6-Y8 PolarHBondContact O-N 3.13Å; N6-N9 PolarHBondContact O-N 3.31Å; N6-V10 VanDerWaalsContact O-CG2 3.27Å; N6-V10 WeakPolarHBondContact O-CG2 3.41Å; N6-V10 PolarHBondContact O-N 3.06Å; N6-C128 HydrophobicContact CB-CB 4.06Å; N6-C128 VanDerWaalsContact CB-O 3.22Å; N6-C128 WeakPolarHBondContact CB-O 3.49Å; N6-C128 VanDerWaalsContact CG-O 3.29Å; N6-C128 PolarHBondContact ND2-O 3.49Å
7I91.9Very high86.8Confident76 Ų7654 Ų5439%0.3928%0.278SS..Hα-helixtrans-64.2-39.9175.3-63177.8000110.4N4 V10 T11N4-I7 HydrophobicContact CB-CB 4.16Å; N4-I7 HydrophobicContact CB-CD1 3.96Å; N4-I7 HydrophobicContact CB-CG1 4.07Å; N4-I7 PolarHBondContact O-N 3.32Å; N4-I7 VanDerWaalsContact O-N 3.11Å; N4-I7 PolarHBondContact OD1-N 3.07Å; I7-V10 PolarHBondContact O-N 2.73Å; I7-T11 VanDerWaalsContact O-CB 3.3Å; I7-T11 WeakPolarHBondContact O-CB 3.43Å; I7-T11 PolarHBondContact O-N 2.91Å; I7-T11 PolarHBondContact O-OG1 3.35Å
8Y94.3Very high87.4Confident55 Ų5552.7 Ų52.722%0.21627%0.27CS..Hα-helixtrans-56.9-52.3173.1171.2-96.5000111.4I3 N4 L5 N6 V10 T11 I12 R193I3-Y8 HydrophobicContact CG2-CD2 4.48Å; N4-Y8 PolarHBondContact O-N 3.23Å; L5-Y8 WeakPolarHBondContact O-CB 3.42Å; L5-Y8 PolarHBondContact O-N 3.41Å; N6-Y8 VanDerWaalsContact C-N 3.31Å; N6-Y8 PolarHBondContact O-N 3.13Å; Y8-V10 PolarHBondContact O-N 3.08Å; Y8-T11 PolarHBondContact O-N 3.36Å; Y8-I12 HydrophobicContact CD1-CG1 4.4Å; Y8-I12 HydrophobicContact CD2-CG1 4.05Å; Y8-I12 HydrophobicContact CE1-CG1 4.05Å; Y8-I12 HydrophobicContact CE2-CD1 4.02Å; Y8-I12 HydrophobicContact CE2-CG1 3.66Å; Y8-I12 HydrophobicContact CG-CG1 4.4Å; Y8-I12 WeakPolarHBondContact O-CG1 3.45Å; Y8-I12 PolarHBondContact O-N 3.27Å; Y8-R193 HydrophobicContact CE1-CG 4.12Å
9N95.5Very high87.9Confident0 Ų053.2 Ų53.20%027%0.27CS..Hα-helixtrans-59.6-45.7179.7-84.3-11.4000112.3L5 N6 T11 T13 F124 R193L5-N9 WeakPolarHBondContact O-CB 3.41Å; L5-N9 PolarHBondContact O-N 3.06Å; N6-N9 PolarHBondContact O-N 3.31Å; N9-T11 VanDerWaalsContact C-N 3.33Å; N9-T11 PolarHBondContact O-N 2.98Å; N9-T13 VanDerWaalsContact O-CB 3.31Å; N9-T13 WeakPolarHBondContact O-CB 3.42Å; N9-T13 PolarHBondContact O-N 2.93Å; N9-T13 PolarHBondContact O-OG1 2.92Å; N9-F124 HydrophobicContact CB-CE1 3.8Å; N9-F124 HydrophobicContact CB-CZ 3.82Å; N9-R193 PolarHBondContact ND2-O 3.45Å; N9-R193 PolarHBondContact OD1-N 3.01Å; N9-R193 VanDerWaalsContact OD1-N 3.15Å; N9-R193 PolarHBondContact OD1-O 3.4Å
10V94.7Very high88.4Confident0 Ų050.6 Ų50.60%026%0.257CS..Hα-helixtrans-61.6-43177.21730000110.9N6 I7 Y8 T13 G14 C128 H137 L140 F141N6-V10 VanDerWaalsContact O-CG2 3.27Å; N6-V10 WeakPolarHBondContact O-CG2 3.41Å; N6-V10 PolarHBondContact O-N 3.06Å; I7-V10 PolarHBondContact O-N 2.73Å; Y8-V10 PolarHBondContact O-N 3.08Å; V10-T13 PolarHBondContact O-N 2.65Å; V10-G14 PolarHBondContact O-N 3.49Å; V10-C128 HydrophobicContact CG2-CB 4.01Å; V10-H137 HydrophobicContact CG1-CB 4.25Å; V10-H137 WeakPolarHBondContact CG1-O 3.32Å; V10-H137 HydrophobicContact CG2-CB 3.94Å; V10-L140 HydrophobicContact CG1-CB 4.22Å; V10-L140 HydrophobicContact CG1-CD2 3.92Å; V10-L140 HydrophobicContact CG1-CG 4.11Å; V10-F141 HydrophobicContact CG1-CB 4.12Å
11T95.8Very high88.8Confident43 Ų4348.3 Ų48.326%0.26425%0.245SC..Hα-helixtrans-66-48.4180-55.90000111.6I7 Y8 N9 T13 G14 L15 L144I7-T11 VanDerWaalsContact O-CB 3.3Å; I7-T11 WeakPolarHBondContact O-CB 3.43Å; I7-T11 PolarHBondContact O-N 2.91Å; I7-T11 PolarHBondContact O-OG1 3.35Å; Y8-T11 PolarHBondContact O-N 3.36Å; N9-T11 VanDerWaalsContact C-N 3.33Å; N9-T11 PolarHBondContact O-N 2.98Å; T11-T13 VanDerWaalsContact C-N 3.32Å; T11-T13 PolarHBondContact O-N 3.27Å; T11-G14 PolarHBondContact O-N 3.39Å; T11-L15 HydrophobicContact CG2-CD1 4.24Å; T11-L15 WeakPolarHBondContact O-CG 3.47Å; T11-L15 PolarHBondContact O-N 3.19Å; T11-L144 HydrophobicContact CG2-CD1 3.96Å
12I97Very high91.5Very high23 Ų2338.4 Ų38.412%0.11820%0.197CC..Hα-helixtrans-63.9-39177.9-66.6-61000111.1Y8 G14 L15 A16 T191 L192Y8-I12 HydrophobicContact CD1-CG1 4.4Å; Y8-I12 HydrophobicContact CD2-CG1 4.05Å; Y8-I12 HydrophobicContact CE1-CG1 4.05Å; Y8-I12 HydrophobicContact CE2-CD1 4.02Å; Y8-I12 HydrophobicContact CE2-CG1 3.66Å; Y8-I12 HydrophobicContact CG-CG1 4.4Å; Y8-I12 WeakPolarHBondContact O-CG1 3.45Å; Y8-I12 PolarHBondContact O-N 3.27Å; I12-G14 VanDerWaalsContact C-N 3.34Å; I12-L15 PolarHBondContact O-N 2.8Å; I12-A16 VanDerWaalsContact O-CB 3.3Å; I12-A16 WeakPolarHBondContact O-CB 3.31Å; I12-A16 PolarHBondContact O-N 2.74Å; I12-T191 WeakPolarHBondContact CG2-OG1 3.37Å; I12-L192 HydrophobicContact CB-CD2 3.89Å; I12-L192 HydrophobicContact CG2-CD2 3.57Å; I12-L192 HydrophobicContact CG2-CG 4.16Å
13T97.3Very high93.7Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-61.9-45175.1-52.80000110.5N9 V10 T11 L15 A16 F17 M81 Q121 F124 F141 L192N9-T13 VanDerWaalsContact O-CB 3.31Å; N9-T13 WeakPolarHBondContact O-CB 3.42Å; N9-T13 PolarHBondContact O-N 2.93Å; N9-T13 PolarHBondContact O-OG1 2.92Å; V10-T13 PolarHBondContact O-N 2.65Å; T11-T13 VanDerWaalsContact C-N 3.32Å; T11-T13 PolarHBondContact O-N 3.27Å; T13-L15 PolarHBondContact O-N 3.03Å; T13-A16 PolarHBondContact O-N 3.41Å; T13-F17 HydrophobicContact CG2-CD2 4.05Å; T13-F17 HydrophobicContact CG2-CE2 4Å; T13-F17 WeakPolarHBondContact O-CB 3.47Å; T13-F17 VanDerWaalsContact O-CD2 3.24Å; T13-F17 WeakPolarHBondContact O-CD2 3.32Å; T13-F17 PolarHBondContact O-N 3.3Å; T13-M81 HydrophobicContact CG2-SD 4.1Å; T13-Q121 HydrophobicContact CG2-CG 4.24Å; T13-F124 VanDerWaalsContact OG1-CE1 3.27Å; T13-F124 WeakPolarHBondContact OG1-CE1 3.41Å; T13-F141 HydrophobicContact CG2-CD2 4.01Å; T13-F141 HydrophobicContact CG2-CE2 3.84Å; T13-L192 WeakPolarHBondContact OG1-CD2 3.29Å
14G96.6Very high95.2Very high0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-60-44.3175.400000112.9V10 T11 I12 F17 F18V10-G14 PolarHBondContact O-N 3.49Å; T11-G14 PolarHBondContact O-N 3.39Å; I12-G14 VanDerWaalsContact C-N 3.34Å; G14-F17 PolarHBondContact O-N 3.43Å; G14-F18 WeakPolarHBondContact O-CB 3.24Å; G14-F18 PolarHBondContact O-N 3.11Å
15L97.4Very high95.5Very high63 Ų6321.6 Ų21.633%0.3311%0.108SC..Hα-helixtrans-68-39.8177.4-69.9174.2000112.9T11 I12 T13 F18 F19 L188T11-L15 HydrophobicContact CG2-CD1 4.24Å; T11-L15 WeakPolarHBondContact O-CG 3.47Å; T11-L15 PolarHBondContact O-N 3.19Å; I12-L15 PolarHBondContact O-N 2.8Å; T13-L15 PolarHBondContact O-N 3.03Å; L15-F18 WeakPolarHBondContact O-CB 3.13Å; L15-F18 PolarHBondContact O-N 3.38Å; L15-F19 WeakPolarHBondContact O-CD2 3.49Å; L15-F19 PolarHBondContact O-N 3.27Å; L15-L188 HydrophobicContact CB-CD1 4.42Å
16A98.2Very high95.7Very high1 Ų119 Ų191%0.0089%0.094CC..Hα-helixtrans-63.2-44.9175.800000111.4I12 T13 F18 F19 L20 G185 L188 L189I12-A16 VanDerWaalsContact O-CB 3.3Å; I12-A16 WeakPolarHBondContact O-CB 3.31Å; I12-A16 PolarHBondContact O-N 2.74Å; T13-A16 PolarHBondContact O-N 3.41Å; A16-F18 VanDerWaalsContact C-N 3.32Å; A16-F19 PolarHBondContact O-N 3.49Å; A16-L20 WeakPolarHBondContact O-CB 3.4Å; A16-L20 PolarHBondContact O-N 2.85Å; A16-G185 WeakPolarHBondContact O-CA 3.34Å; A16-L188 HydrophobicContact CB-CB 3.83Å; A16-L189 HydrophobicContact CB-CD2 3.48Å; A16-L189 VanDerWaalsContact CB-CD2 3.48Å; A16-L189 HydrophobicContact CB-CG 3.75Å
17F97.9Very high95.8Very high0 Ų017.6 Ų17.60%09%0.087CC..Hα-helixtrans-66.1-36.1175.4-85.6-123.3000111.5T13 G14 F19 L20 F21 M81 L117 W118 Q121 F141 F145 L189T13-F17 HydrophobicContact CG2-CD2 4.05Å; T13-F17 HydrophobicContact CG2-CE2 4Å; T13-F17 WeakPolarHBondContact O-CB 3.47Å; T13-F17 VanDerWaalsContact O-CD2 3.24Å; T13-F17 WeakPolarHBondContact O-CD2 3.32Å; T13-F17 PolarHBondContact O-N 3.3Å; G14-F17 PolarHBondContact O-N 3.43Å; F17-F19 VanDerWaalsContact C-N 3.35Å; F17-F19 PolarHBondContact O-N 2.88Å; F17-L20 PolarHBondContact O-N 2.85Å; F17-F21 HydrophobicContact CB-CD2 4.22Å; F17-F21 AromaticContact CD1-CD2 3.94Å; F17-F21 HydrophobicContact CD1-CD2 3.94Å; F17-F21 AromaticContact CD1-CE2 3.51Å; F17-F21 HydrophobicContact CD1-CE2 3.51Å; F17-F21 HydrophobicContact CD1-CZ 4.5Å; F17-F21 AromaticContact CE1-CE2 3.9Å; F17-F21 HydrophobicContact CE1-CE2 3.9Å; F17-F21 HydrophobicContact CG-CD2 4.33Å; F17-F21 HydrophobicContact CG-CE2 4.22Å; F17-F21 VanDerWaalsContact O-CB 3.3Å; F17-F21 WeakPolarHBondContact O-CB 3.46Å; F17-F21 WeakPolarHBondContact O-CD2 3.44Å; F17-F21 PolarHBondContact O-N 3.46Å; F17-M81 HydrophobicContact CE2-SD 3.99Å; F17-M81 HydrophobicContact CZ-SD 4.31Å; F17-L117 HydrophobicContact CD1-CD2 4.44Å; F17-L117 HydrophobicContact CE1-CD2 3.37Å; F17-L117 HydrophobicContact CE1-CG 4.3Å; F17-L117 HydrophobicContact CE2-CD2 4.41Å; F17-L117 HydrophobicContact CZ-CD1 4.36Å; F17-L117 HydrophobicContact CZ-CD2 3.34Å; F17-L117 HydrophobicContact CZ-CG 3.77Å; F17-W118 HydrophobicContact CD1-CH2 4.3Å; F17-W118 HydrophobicContact CE1-CE3 4.32Å; F17-W118 HydrophobicContact CE1-CH2 4.32Å; F17-W118 HydrophobicContact CE1-CZ3 4.21Å; F17-Q121 HydrophobicContact CE1-CB 4.11Å; F17-Q121 HydrophobicContact CE1-CG 3.81Å; F17-Q121 HydrophobicContact CE2-CB 4.46Å; F17-Q121 HydrophobicContact CE2-CG 4.25Å; F17-Q121 HydrophobicContact CZ-CB 3.64Å; F17-Q121 HydrophobicContact CZ-CG 3.61Å; F17-F141 HydrophobicContact CB-CE2 3.94Å; F17-F141 HydrophobicContact CB-CZ 4.27Å; F17-F141 AromaticContact CD1-CE2 3.82Å; F17-F141 HydrophobicContact CD1-CE2 3.82Å; F17-F141 AromaticContact CD1-CZ 3.5Å; F17-F141 HydrophobicContact CD1-CZ 3.5Å; F17-F141 VanDerWaalsContact CD1-CZ 3.5Å; F17-F141 HydrophobicContact CD2-CE2 4.11Å; F17-F141 HydrophobicContact CE1-CE2 4.34Å; F17-F141 AromaticContact CE1-CZ 3.91Å; F17-F141 HydrophobicContact CE1-CZ 3.91Å; F17-F141 AromaticContact CG-CE2 3.68Å; F17-F141 HydrophobicContact CG-CE2 3.68Å; F17-F141 AromaticContact CG-CZ 3.88Å; F17-F141 HydrophobicContact CG-CZ 3.88Å; F17-F145 HydrophobicContact CB-CB 4.17Å; F17-F145 HydrophobicContact CB-CD2 3.9Å; F17-F145 HydrophobicContact CB-CG 4.26Å; F17-L189 HydrophobicContact CE2-CD2 4.31Å
18F97.4Very high95.8Very high31 Ų3114 Ų1414%0.1367%0.069CC..Hα-helixtrans-53.2-52172.9165.4-84000111.3G14 L15 A16 A22 L144 A147 N148 V151G14-F18 WeakPolarHBondContact O-CB 3.24Å; G14-F18 PolarHBondContact O-N 3.11Å; L15-F18 WeakPolarHBondContact O-CB 3.13Å; L15-F18 PolarHBondContact O-N 3.38Å; A16-F18 VanDerWaalsContact C-N 3.32Å; F18-A22 WeakPolarHBondContact O-CB 3.41Å; F18-A22 PolarHBondContact O-N 3.47Å; F18-L144 WeakPolarHBondContact CD2-O 3.33Å; F18-A147 HydrophobicContact CD2-CB 3.87Å; F18-A147 HydrophobicContact CE2-CB 3.87Å; F18-A147 WeakPolarHBondContact CE2-O 3.29Å; F18-N148 VanDerWaalsContact CD2-CA 3.49Å; F18-N148 HydrophobicContact CD2-CB 3.91Å; F18-N148 HydrophobicContact CE2-CB 4.35Å; F18-N148 VanDerWaalsContact CE2-N 3.34Å; F18-N148 HydrophobicContact CG-CB 4.32Å; F18-N148 WeakPolarHBondContact O-CB 3.19Å; F18-V151 HydrophobicContact CE2-CG2 4.19Å; F18-V151 HydrophobicContact CZ-CB 4.14Å; F18-V151 HydrophobicContact CZ-CG2 3.75Å
19F97.8Very high95.6Very high62 Ų6211.5 Ų11.527%0.2726%0.059SC..Hα-helixtrans-69.6-41.5-178.4-77.4-70.7000112.7L15 A16 F17 F21 A23 C181 L184 L188L15-F19 WeakPolarHBondContact O-CD2 3.49Å; L15-F19 PolarHBondContact O-N 3.27Å; A16-F19 PolarHBondContact O-N 3.49Å; F17-F19 VanDerWaalsContact C-N 3.35Å; F17-F19 PolarHBondContact O-N 2.88Å; F19-F21 PolarHBondContact O-N 3.4Å; F19-A23 PolarHBondContact O-N 3.42Å; F19-C181 WeakPolarHBondContact CB-O 3.41Å; F19-L184 HydrophobicContact CD1-CB 4.41Å; F19-L184 HydrophobicContact CE1-CD1 4.46Å; F19-L184 HydrophobicContact CG-CB 4.37Å; F19-L188 HydrophobicContact CD2-CD1 3.53Å; F19-L188 HydrophobicContact CE2-CD1 3.78Å
20L98.1Very high95.3Very high1 Ų111.6 Ų11.61%0.0056%0.059CC..Hα-helixtrans-63-42.8179.1-173.566.7000112.1A16 F17 A23 F24 Y88 L117 A182 I186A16-L20 WeakPolarHBondContact O-CB 3.4Å; A16-L20 PolarHBondContact O-N 2.85Å; F17-L20 PolarHBondContact O-N 2.85Å; L20-A23 WeakPolarHBondContact O-CB 3.45Å; L20-A23 PolarHBondContact O-N 2.97Å; L20-F24 PolarHBondContact O-N 3.19Å; L20-Y88 HydrophobicContact CD2-CD2 4.18Å; L20-Y88 HydrophobicContact CD2-CG 4.41Å; L20-Y88 HydrophobicContact CG-CG 4.47Å; L20-L117 HydrophobicContact CD2-CD1 3.69Å; L20-A182 HydrophobicContact CD1-CB 4.08Å; L20-I186 HydrophobicContact CD1-CG1 4.49Å
21F95.8Very high95.2Very high2 Ų211.6 Ų11.61%0.0096%0.059CC..Hα-helixtrans-89-20.7-177.7-76.3-94000113.6F17 F19 A23 F24 Q25 Y88 L117 W118 F145 N148F17-F21 HydrophobicContact CB-CD2 4.22Å; F17-F21 AromaticContact CD1-CD2 3.94Å; F17-F21 HydrophobicContact CD1-CD2 3.94Å; F17-F21 AromaticContact CD1-CE2 3.51Å; F17-F21 HydrophobicContact CD1-CE2 3.51Å; F17-F21 HydrophobicContact CD1-CZ 4.5Å; F17-F21 AromaticContact CE1-CE2 3.9Å; F17-F21 HydrophobicContact CE1-CE2 3.9Å; F17-F21 HydrophobicContact CG-CD2 4.33Å; F17-F21 HydrophobicContact CG-CE2 4.22Å; F17-F21 VanDerWaalsContact O-CB 3.3Å; F17-F21 WeakPolarHBondContact O-CB 3.46Å; F17-F21 WeakPolarHBondContact O-CD2 3.44Å; F17-F21 PolarHBondContact O-N 3.46Å; F19-F21 PolarHBondContact O-N 3.4Å; F21-A23 PolarHBondContact O-N 2.74Å; F21-F24 HydrophobicContact CD1-CB 4.33Å; F21-F24 AromaticContact CD1-CD1 3.76Å; F21-F24 HydrophobicContact CD1-CD1 3.76Å; F21-F24 HydrophobicContact CD1-CG 4.45Å; F21-F24 AromaticContact CE1-CD1 3.89Å; F21-F24 HydrophobicContact CE1-CD1 3.89Å; F21-F24 HydrophobicContact CE1-CE1 4.43Å; F21-F24 PolarHBondContact O-N 3.3Å; F21-Q25 HydrophobicContact CB-CG 4.11Å; F21-Q25 HydrophobicContact CD1-CG 4.19Å; F21-Q25 WeakPolarHBondContact O-CA 3.12Å; F21-Q25 WeakPolarHBondContact O-CB 3.37Å; F21-Q25 VanDerWaalsContact O-CG 3.29Å; F21-Q25 WeakPolarHBondContact O-CG 3.18Å; F21-Q25 PolarHBondContact O-N 3.35Å; F21-Y88 HydrophobicContact CE1-CE1 4.02Å; F21-Y88 HydrophobicContact CZ-CE1 4.15Å; F21-Y88 HydrophobicContact CZ-CE2 4.31Å; F21-Y88 AromaticContact CZ-CZ 3.76Å; F21-L117 HydrophobicContact CE2-CD2 4.21Å; F21-L117 HydrophobicContact CZ-CD2 4.23Å; F21-W118 HydrophobicContact CD1-CZ2 4.48Å; F21-W118 AromaticContact CE1-CZ2 3.61Å; F21-W118 HydrophobicContact CE1-CZ2 3.61Å; F21-W118 AromaticContact CE1-NE1 4Å; F21-W118 AromaticContact CE2-CZ2 3.9Å; F21-W118 HydrophobicContact CE2-CZ2 3.9Å; F21-W118 AromaticContact CZ-CE2 3.54Å; F21-W118 HydrophobicContact CZ-CH2 4.32Å; F21-W118 AromaticContact CZ-CZ2 3.27Å; F21-W118 HydrophobicContact CZ-CZ2 3.27Å; F21-W118 AromaticContact CZ-NE1 3.48Å; F21-F145 HydrophobicContact CB-CD2 4.03Å; F21-F145 HydrophobicContact CB-CE2 3.4Å; F21-F145 VanDerWaalsContact CB-CE2 3.4Å; F21-F145 HydrophobicContact CB-CZ 4.45Å; F21-F145 AromaticContact CD1-CE2 3.82Å; F21-F145 HydrophobicContact CD1-CE2 3.82Å; F21-F145 HydrophobicContact CD1-CZ 4.2Å; F21-F145 HydrophobicContact CD2-CD2 4.09Å; F21-F145 AromaticContact CD2-CE2 3.63Å; F21-F145 HydrophobicContact CD2-CE2 3.63Å; F21-F145 HydrophobicContact CE2-CE2 4.36Å; F21-F145 HydrophobicContact CG-CD2 4.14Å; F21-F145 AromaticContact CG-CE2 3.33Å; F21-F145 HydrophobicContact CG-CE2 3.33Å; F21-F145 HydrophobicContact CG-CZ 4.15Å; F21-N148 VanDerWaalsContact C-OD1 3.28Å; F21-N148 PolarHBondContact O-OD1 2.94Å
22A95.1Very high94.9Very high6 Ų610.1 Ų10.15%0.055%0.049CC..Hα-helixtrans-55.3-38.8163.500000109F18 T26 N148F18-A22 WeakPolarHBondContact O-CB 3.41Å; F18-A22 PolarHBondContact O-N 3.47Å; A22-T26 WeakPolarHBondContact O-CB 3.42Å; A22-T26 PolarHBondContact O-N 2.71Å; A22-T26 PolarHBondContact O-OG1 3.43Å; A22-N148 HydrophobicContact CB-CB 3.9Å; A22-N148 PolarHBondContact N-OD1 3.44Å
23A96.2Very high94.5Very high0 Ų09.7 Ų9.70%05%0.047CC..Hα-helixtrans-70.1-57.5173.600000112.8F19 L20 F21 A27 I92 L178 C181 A182F19-A23 PolarHBondContact O-N 3.42Å; L20-A23 WeakPolarHBondContact O-CB 3.45Å; L20-A23 PolarHBondContact O-N 2.97Å; F21-A23 PolarHBondContact O-N 2.74Å; A23-A27 WeakPolarHBondContact O-CB 3.17Å; A23-A27 PolarHBondContact O-N 3.35Å; A23-I92 HydrophobicContact CB-CD1 3.42Å; A23-I92 VanDerWaalsContact CB-CD1 3.42Å; A23-I92 HydrophobicContact CB-CG1 4.43Å; A23-L178 HydrophobicContact CB-CB 4.04Å; A23-L178 WeakPolarHBondContact CB-O 3.34Å; A23-C181 HydrophobicContact CB-CB 4.36Å; A23-A182 HydrophobicContact CB-CB 3.86Å
24F96.1Very high94.3Very high1 Ų19.7 Ų9.70%0.0045%0.048CC..Hα-helixtrans-64.5-45.2-175.1173.9-102.3000114L20 F21 A27 S28 V57 Y88 Y91 N110L20-F24 PolarHBondContact O-N 3.19Å; F21-F24 HydrophobicContact CD1-CB 4.33Å; F21-F24 AromaticContact CD1-CD1 3.76Å; F21-F24 HydrophobicContact CD1-CD1 3.76Å; F21-F24 HydrophobicContact CD1-CG 4.45Å; F21-F24 AromaticContact CE1-CD1 3.89Å; F21-F24 HydrophobicContact CE1-CD1 3.89Å; F21-F24 HydrophobicContact CE1-CE1 4.43Å; F21-F24 PolarHBondContact O-N 3.3Å; F24-A27 PolarHBondContact O-N 2.7Å; F24-S28 WeakPolarHBondContact O-CB 3.5Å; F24-S28 PolarHBondContact O-N 2.77Å; F24-S28 PolarHBondContact O-OG 3.4Å; F24-V57 HydrophobicContact CZ-CG1 4.44Å; F24-Y88 HydrophobicContact CB-CD1 3.76Å; F24-Y88 HydrophobicContact CB-CE1 4.07Å; F24-Y88 HydrophobicContact CD1-CD1 4.32Å; F24-Y88 AromaticContact CD1-CE1 3.78Å; F24-Y88 HydrophobicContact CD1-CE1 3.78Å; F24-Y88 AromaticContact CD2-CD1 3.4Å; F24-Y88 HydrophobicContact CD2-CD1 3.4Å; F24-Y88 VanDerWaalsContact CD2-CD1 3.4Å; F24-Y88 AromaticContact CD2-CE1 3.47Å; F24-Y88 HydrophobicContact CD2-CE1 3.47Å; F24-Y88 VanDerWaalsContact CD2-CE1 3.47Å; F24-Y88 HydrophobicContact CE1-CE1 4.04Å; F24-Y88 HydrophobicContact CE2-CD1 4.05Å; F24-Y88 AromaticContact CE2-CE1 3.76Å; F24-Y88 HydrophobicContact CE2-CE1 3.76Å; F24-Y88 AromaticContact CG-CD1 3.55Å; F24-Y88 HydrophobicContact CG-CD1 3.55Å; F24-Y88 AromaticContact CG-CE1 3.47Å; F24-Y88 HydrophobicContact CG-CE1 3.47Å; F24-Y88 VanDerWaalsContact CG-CE1 3.47Å; F24-Y88 HydrophobicContact CZ-CE1 4.03Å; F24-Y91 AromaticContact CD2-CD1 3.7Å; F24-Y91 HydrophobicContact CD2-CD1 3.7Å; F24-Y91 AromaticContact CD2-CE1 3.56Å; F24-Y91 HydrophobicContact CD2-CE1 3.56Å; F24-Y91 AromaticContact CE2-CD1 3.88Å; F24-Y91 HydrophobicContact CE2-CD1 3.88Å; F24-Y91 AromaticContact CE2-CE1 3.5Å; F24-Y91 HydrophobicContact CE2-CE1 3.5Å; F24-N110 WeakPolarHBondContact CE2-ND2 3.45Å
25Q92.8Very high94.1Very high6 Ų69.8 Ų9.83%0.0285%0.048CC..Hα-helixtrans-67.5-44.7-178-64.5-70.910.300110.8F21 A27 S28 L29 Q149F21-Q25 HydrophobicContact CB-CG 4.11Å; F21-Q25 HydrophobicContact CD1-CG 4.19Å; F21-Q25 WeakPolarHBondContact O-CA 3.12Å; F21-Q25 WeakPolarHBondContact O-CB 3.37Å; F21-Q25 VanDerWaalsContact O-CG 3.29Å; F21-Q25 WeakPolarHBondContact O-CG 3.18Å; F21-Q25 PolarHBondContact O-N 3.35Å; Q25-A27 VanDerWaalsContact C-N 3.34Å; Q25-A27 PolarHBondContact O-N 2.87Å; Q25-S28 PolarHBondContact O-N 3.47Å; Q25-L29 VanDerWaalsContact O-CB 3.25Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 PolarHBondContact O-N 2.95Å; Q25-Q149 VanDerWaalsContact CG-NE2 3.35Å
26T92.8Very high93.8Very high0 Ų09.1 Ų9.10%04%0.043CC..Hα-helixtrans-64.6-40.2176.1-49.50000111.9A22 S28 L29 T30 G152 Y155 A156 L178A22-T26 WeakPolarHBondContact O-CB 3.42Å; A22-T26 PolarHBondContact O-N 2.71Å; A22-T26 PolarHBondContact O-OG1 3.43Å; T26-S28 VanDerWaalsContact C-N 3.31Å; T26-S28 PolarHBondContact O-N 2.9Å; T26-L29 PolarHBondContact O-N 3.11Å; T26-T30 WeakPolarHBondContact O-CG2 3.4Å; T26-T30 PolarHBondContact O-N 3.45Å; T26-T30 VanDerWaalsContact O-N 3.1Å; T26-T30 PolarHBondContact O-OG1 3.37Å; T26-G152 WeakPolarHBondContact CG2-O 3.39Å; T26-G152 WeakPolarHBondContact OG1-CA 3.11Å; T26-Y155 HydrophobicContact CG2-CD1 4.38Å; T26-A156 HydrophobicContact CG2-CB 3.85Å; T26-L178 HydrophobicContact CG2-CD1 4.16Å; T26-L178 HydrophobicContact CG2-CD2 3.96Å
27A94Very high93.5Very high0 Ų09.8 Ų9.80%05%0.049CC..Hα-helixtrans-59.3-43.4173.400000111.4A23 F24 Q25 T30 A31 I92 Y175 L178A23-A27 WeakPolarHBondContact O-CB 3.17Å; A23-A27 PolarHBondContact O-N 3.35Å; F24-A27 PolarHBondContact O-N 2.7Å; Q25-A27 VanDerWaalsContact C-N 3.34Å; Q25-A27 PolarHBondContact O-N 2.87Å; A27-T30 PolarHBondContact O-OG1 3.27Å; A27-A31 WeakPolarHBondContact O-CA 3.11Å; A27-A31 VanDerWaalsContact O-CB 3.28Å; A27-A31 WeakPolarHBondContact O-CB 3.42Å; A27-A31 PolarHBondContact O-N 3.42Å; A27-I92 HydrophobicContact CB-CG1 4.43Å; A27-Y175 HydrophobicContact CB-CD1 4.19Å; A27-Y175 HydrophobicContact CB-CE1 3.67Å; A27-Y175 PolarHBondContact O-OH 3.12Å; A27-L178 HydrophobicContact CB-CD1 4.09Å
28S92Very high93.4Very high0 Ų09.8 Ų9.80%05%0.049CC..Hα-helixtrans-69.9-41.1179.4-56.70000112.7F24 Q25 T26 T30 A31F24-S28 WeakPolarHBondContact O-CB 3.5Å; F24-S28 PolarHBondContact O-N 2.77Å; F24-S28 PolarHBondContact O-OG 3.4Å; Q25-S28 PolarHBondContact O-N 3.47Å; T26-S28 VanDerWaalsContact C-N 3.31Å; T26-S28 PolarHBondContact O-N 2.9Å; S28-T30 VanDerWaalsContact C-N 3.28Å; S28-T30 PolarHBondContact O-N 3.23Å; S28-A31 WeakPolarHBondContact O-CB 3.24Å; S28-A31 PolarHBondContact O-N 3.28Å
29L88.6Confident93.2Very high3 Ų39.4 Ų9.42%0.0165%0.05CC..Hα-helixtrans-59.6-39.3176.9-175.675.5000111.8Q25 T26 S271 A275 I292Q25-L29 VanDerWaalsContact O-CB 3.25Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 PolarHBondContact O-N 2.95Å; T26-L29 PolarHBondContact O-N 3.11Å; L29-S271 WeakPolarHBondContact CA-O 3.22Å; L29-A275 HydrophobicContact CD1-CB 3.33Å; L29-A275 HydrophobicContact CG-CB 4.17Å; L29-I292 HydrophobicContact CD1-CG2 4.38Å; L29-I292 HydrophobicContact CD2-CG2 4.12Å; L29-I292 HydrophobicContact CG-CG2 3.78Å
30T90.2Very high92.8Very high1 Ų112.1 Ų12.11%0.0066%0.062CC..Hα-helixtrans-94.6-13.2-177.457.20000113.7T26 A27 S28 Q32 N33 V34 A156 L160 L174 Y175T26-T30 WeakPolarHBondContact O-CG2 3.4Å; T26-T30 PolarHBondContact O-N 3.45Å; T26-T30 VanDerWaalsContact O-N 3.1Å; T26-T30 PolarHBondContact O-OG1 3.37Å; A27-T30 PolarHBondContact O-OG1 3.27Å; S28-T30 VanDerWaalsContact C-N 3.28Å; S28-T30 PolarHBondContact O-N 3.23Å; T30-Q32 PolarHBondContact O-N 2.97Å; T30-N33 PolarHBondContact O-N 2.63Å; T30-V34 WeakPolarHBondContact O-CG2 3.48Å; T30-V34 PolarHBondContact O-N 3.02Å; T30-A156 HydrophobicContact CG2-CB 3.9Å; T30-L160 HydrophobicContact CG2-CD1 4Å; T30-L174 HydrophobicContact CG2-CD2 4.5Å; T30-Y175 PolarHBondContact OG1-OH 2.95Å
31A92.1Very high92.5Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-50.4-53.8-169.800000113.7A27 S28 N33 V34 L35 Y95A27-A31 WeakPolarHBondContact O-CA 3.11Å; A27-A31 VanDerWaalsContact O-CB 3.28Å; A27-A31 WeakPolarHBondContact O-CB 3.42Å; A27-A31 PolarHBondContact O-N 3.42Å; S28-A31 WeakPolarHBondContact O-CB 3.24Å; S28-A31 PolarHBondContact O-N 3.28Å; A31-N33 PolarHBondContact O-N 3.42Å; A31-V34 PolarHBondContact O-N 3.19Å; A31-L35 WeakPolarHBondContact O-CB 3.27Å; A31-L35 VanDerWaalsContact O-CG 3.25Å; A31-L35 WeakPolarHBondContact O-CG 3.28Å; A31-L35 PolarHBondContact O-N 3.3Å; A31-Y95 HydrophobicContact CB-CE1 3.67Å
32Q90.4Very high92.3Very high12 Ų1218.1 Ų18.16%0.0569%0.087CC..Hα-helixtrans-60-50.7-175.4-174.461.922.700111.3T30 V34 L35 E36 Y51T30-Q32 PolarHBondContact O-N 2.97Å; Q32-V34 PolarHBondContact O-N 3.32Å; Q32-L35 PolarHBondContact O-N 3.24Å; Q32-E36 WeakPolarHBondContact CG-OE1 3Å; Q32-E36 PolarHBondContact NE2-OE1 2.62Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 3.36Å; Q32-Y51 HydrophobicContact CG-CE2 4.34Å
33N88.5Confident92Very high14 Ų1425 Ų258%0.07512%0.123CC..Hα-helixtrans-64.6-37.2-178.9-64.5-69.9000112.9T30 A31 A37 I166 I292T30-N33 PolarHBondContact O-N 2.63Å; A31-N33 PolarHBondContact O-N 3.42Å; N33-A37 PolarHBondContact O-N 3.28Å; N33-I166 HydrophobicContact CB-CD1 4.35Å; N33-I292 HydrophobicContact CB-CD1 4.47Å; N33-I292 WeakPolarHBondContact ND2-CD1 3.29Å
34V91.9Very high91.4Very high1 Ų130.9 Ų30.91%0.00616%0.155CC..Hα-helixtrans-67.2-45.31771680000110.9T30 A31 Q32 A37 V38 I166 R171 L174 Y175T30-V34 WeakPolarHBondContact O-CG2 3.48Å; T30-V34 PolarHBondContact O-N 3.02Å; A31-V34 PolarHBondContact O-N 3.19Å; Q32-V34 PolarHBondContact O-N 3.32Å; V34-A37 WeakPolarHBondContact O-CB 3Å; V34-A37 PolarHBondContact O-N 2.96Å; V34-V38 VanDerWaalsContact O-CG2 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.36Å; V34-V38 PolarHBondContact O-N 3.42Å; V34-I166 HydrophobicContact CG2-CD1 3.94Å; V34-I166 HydrophobicContact CG2-CG2 4.46Å; V34-R171 HydrophobicContact CG1-CG 3.98Å; V34-L174 HydrophobicContact CG2-CD2 4.34Å; V34-Y175 HydrophobicContact CB-CE2 4.25Å; V34-Y175 HydrophobicContact CG1-CE2 3.71Å; V34-Y175 HydrophobicContact CG2-CE2 3.91Å
35L94Very high91Very high2 Ų235.3 Ų35.31%0.0119%0.185CC..Hα-helixtrans-71-34-176.4-69.1-179.2000112.1A31 Q32 A37 V38 S39 F46 G48 Y95 P98 L103A31-L35 WeakPolarHBondContact O-CB 3.27Å; A31-L35 VanDerWaalsContact O-CG 3.25Å; A31-L35 WeakPolarHBondContact O-CG 3.28Å; A31-L35 PolarHBondContact O-N 3.3Å; Q32-L35 PolarHBondContact O-N 3.24Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.36Å; L35-V38 WeakPolarHBondContact O-CB 3.17Å; L35-V38 PolarHBondContact O-N 3.1Å; L35-S39 PolarHBondContact O-N 3.4Å; L35-F46 HydrophobicContact CB-CE1 4.13Å; L35-F46 HydrophobicContact CD2-CE1 3.87Å; L35-F46 HydrophobicContact CD2-CZ 3.78Å; L35-F46 HydrophobicContact CG-CE1 4.49Å; L35-G48 WeakPolarHBondContact CB-O 3.33Å; L35-Y95 HydrophobicContact CD1-CE1 3.76Å; L35-Y95 HydrophobicContact CD2-CD1 4.11Å; L35-Y95 HydrophobicContact CD2-CE1 4.17Å; L35-Y95 HydrophobicContact CG-CD1 4.31Å; L35-Y95 HydrophobicContact CG-CE1 3.97Å; L35-P98 HydrophobicContact CD2-CB 3.88Å; L35-P98 HydrophobicContact CD2-CG 4.01Å; L35-L103 HydrophobicContact CD1-CD2 3.63Å; L35-L103 HydrophobicContact CD2-CD2 4.24Å
36E91.1Very high90.9Very high48 Ų4835.2 Ų35.222%0.22419%0.185CC..Hα-helixtrans-63-39.1169.5-74.7175.8-164.300112.4Q32 V38 S39 K40 H280Q32-E36 WeakPolarHBondContact CG-OE1 3Å; Q32-E36 PolarHBondContact NE2-OE1 2.62Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 3.36Å; E36-V38 VanDerWaalsContact C-N 3.29Å; E36-V38 PolarHBondContact O-N 3.14Å; E36-S39 PolarHBondContact O-N 3.15Å; E36-K40 WeakPolarHBondContact O-CG 3.07Å; E36-K40 PolarHBondContact O-N 3.27Å; E36-H280 IonicContact OE1-CE1 3.49Å; E36-H280 IonicContact OE1-NE2 3.86Å; E36-H280 IonicContact OE2-NE2 3.9Å; E36-H280 PolarHBondContact OE2-NE2 2.98Å
37A91.3Very high90.7Very high15 Ų1541.2 Ų41.212%0.12422%0.217CC..Hα-helixtrans-63.5-36.6173.600000111.8N33 V34 L35 K40 Q41 I166N33-A37 PolarHBondContact O-N 3.28Å; V34-A37 WeakPolarHBondContact O-CB 3Å; V34-A37 PolarHBondContact O-N 2.96Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.36Å; A37-K40 PolarHBondContact O-N 2.8Å; A37-Q41 WeakPolarHBondContact O-CB 3.47Å; A37-Q41 VanDerWaalsContact O-CG 3.23Å; A37-Q41 WeakPolarHBondContact O-CG 3.5Å; A37-Q41 PolarHBondContact O-N 2.99Å; A37-I166 HydrophobicContact CB-CB 3.8Å; A37-I166 HydrophobicContact CB-CD1 4.49Å; A37-I166 HydrophobicContact CB-CG1 4.49Å
38V94.6Very high90.6Very high0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-64.4-45.2173.1178.70000111V34 L35 E36 K40 Q41 R42 F46 P98V34-V38 VanDerWaalsContact O-CG2 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.36Å; V34-V38 PolarHBondContact O-N 3.42Å; L35-V38 WeakPolarHBondContact O-CB 3.17Å; L35-V38 PolarHBondContact O-N 3.1Å; E36-V38 VanDerWaalsContact C-N 3.29Å; E36-V38 PolarHBondContact O-N 3.14Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 2.95Å; V38-Q41 PolarHBondContact O-N 2.92Å; V38-R42 HydrophobicContact CG1-CG 4.33Å; V38-R42 WeakPolarHBondContact O-CB 3.38Å; V38-R42 PolarHBondContact O-N 3.37Å; V38-F46 HydrophobicContact CB-CD1 4.05Å; V38-F46 HydrophobicContact CB-CE1 4.2Å; V38-F46 HydrophobicContact CG1-CB 4.39Å; V38-F46 HydrophobicContact CG1-CD1 3.73Å; V38-F46 HydrophobicContact CG1-CD2 4.48Å; V38-F46 HydrophobicContact CG1-CE1 4.1Å; V38-F46 HydrophobicContact CG1-CG 3.94Å; V38-P98 HydrophobicContact CB-CG 4.41Å; V38-P98 HydrophobicContact CG1-CG 4.01Å; V38-P98 HydrophobicContact CG2-CG 3.75Å
39S93Very high90.6Very high24 Ų2443 Ų4317%0.16823%0.228CC..Hα-helixtrans-56.3-48.1177-178.60000111.1L35 E36 Q41 R42 N43 N44 F46L35-S39 PolarHBondContact O-N 3.4Å; E36-S39 PolarHBondContact O-N 3.15Å; S39-Q41 PolarHBondContact O-N 2.97Å; S39-R42 CarbonylContact O-C 3.53Å; S39-R42 PolarHBondContact O-N 3.46Å; S39-N43 PolarHBondContact O-N 2.94Å; S39-N44 PolarHBondContact O-N 3.47Å; S39-N44 PolarHBondContact OG-OD1 3.29Å; S39-F46 VanDerWaalsContact CB-O 3.29Å; S39-F46 WeakPolarHBondContact CB-O 3.24Å; S39-F46 PolarHBondContact OG-O 3.32Å; S39-F46 VanDerWaalsContact OG-O 3.1Å
40K90.8Very high90.8Very high118 Ų11842.8 Ų42.851%0.51323%0.228SC..Hα-helixtrans-59.7-45.8177.2-70.8176.4-178.1176.30111.9E36 A37 V38 R42 N43E36-K40 WeakPolarHBondContact O-CG 3.07Å; E36-K40 PolarHBondContact O-N 3.27Å; A37-K40 PolarHBondContact O-N 2.8Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 2.95Å; K40-R42 VanDerWaalsContact C-N 3.3Å; K40-R42 PolarHBondContact O-N 3.2Å; K40-N43 PolarHBondContact O-N 3.45Å
41Q91.4Very high90.9Very high68 Ų6843 Ų4332%0.31823%0.228SC..Hα-helixtrans-64.6-31.8179.1-75.3166.12.200113.7A37 V38 S39 I166A37-Q41 WeakPolarHBondContact O-CB 3.47Å; A37-Q41 VanDerWaalsContact O-CG 3.23Å; A37-Q41 WeakPolarHBondContact O-CG 3.5Å; A37-Q41 PolarHBondContact O-N 2.99Å; V38-Q41 PolarHBondContact O-N 2.92Å; S39-Q41 PolarHBondContact O-N 2.97Å; Q41-I166 PolarHBondContact NE2-O 3Å
42R91.8Very high91.1Very high61 Ų6145.3 Ų45.323%0.2324%0.243CC..THydrogen-bonded Turntrans-98.523.2-178.6-64.4-172.6175.7169.82.1112.6V38 S39 K40 N44 S45 F46 E97 P98V38-R42 HydrophobicContact CG1-CG 4.33Å; V38-R42 WeakPolarHBondContact O-CB 3.38Å; V38-R42 PolarHBondContact O-N 3.37Å; S39-R42 CarbonylContact O-C 3.53Å; S39-R42 PolarHBondContact O-N 3.46Å; K40-R42 VanDerWaalsContact C-N 3.3Å; K40-R42 PolarHBondContact O-N 3.2Å; R42-N44 PolarHBondContact O-N 3.23Å; R42-S45 WeakPolarHBondContact CB-OG 3.18Å; R42-S45 WeakPolarHBondContact O-CB 3.49Å; R42-S45 PolarHBondContact O-N 2.86Å; R42-S45 PolarHBondContact O-OG 3.21Å; R42-F46 HydrophobicContact CB-CB 4.45Å; R42-E97 IonicContact CZ-OE1 3.23Å; R42-E97 IonicContact NH2-OE1 3.83Å; R42-E97 PolarHBondContact NH2-OE1 2.95Å; R42-P98 PolarHBondContact NH1-O 3.19Å; R42-P98 PolarHBondContact NH2-O 3.49Å
43N88.1Confident91.3Very high151 Ų15144.8 Ų44.881%0.80724%0.24SC*.THydrogen-bonded Turntrans49.841.6179.1-66.7-23.1000113.4S39 K40 S45S39-N43 PolarHBondContact O-N 2.94Å; K40-N43 PolarHBondContact O-N 3.45Å; N43-S45 PolarHBondContact O-N 2.9Å
44N84.3Confident91.7Very high124 Ų12444.1 Ų44.166%0.66324%0.236SC*.THydrogen-bonded Turntrans60.721.7-178.3-53.4-36.6000115.3S39 R42 F46S39-N44 PolarHBondContact O-N 3.47Å; S39-N44 PolarHBondContact OG-OD1 3.29Å; R42-N44 PolarHBondContact O-N 3.23Å; N44-F46 PolarHBondContact O-N 3.4Å
45S87.6Confident91.9Very high93 Ų9344.2 Ų44.265%0.6524%0.238SC*.  trans-78.3-2.4167.462.40000113.5R42 N43R42-S45 WeakPolarHBondContact CB-OG 3.18Å; R42-S45 WeakPolarHBondContact O-CB 3.49Å; R42-S45 PolarHBondContact O-N 2.86Å; R42-S45 PolarHBondContact O-OG 3.21Å; N43-S45 PolarHBondContact O-N 2.9Å
46F90Very high92Very high4 Ų446.3 Ų46.32%0.01825%0.248CC..  trans-122.5113177.8175.9-94.6000109.2L35 V38 S39 R42 N44 G48 P98 E100 L103L35-F46 HydrophobicContact CB-CE1 4.13Å; L35-F46 HydrophobicContact CD2-CE1 3.87Å; L35-F46 HydrophobicContact CD2-CZ 3.78Å; L35-F46 HydrophobicContact CG-CE1 4.49Å; V38-F46 HydrophobicContact CB-CD1 4.05Å; V38-F46 HydrophobicContact CB-CE1 4.2Å; V38-F46 HydrophobicContact CG1-CB 4.39Å; V38-F46 HydrophobicContact CG1-CD1 3.73Å; V38-F46 HydrophobicContact CG1-CD2 4.48Å; V38-F46 HydrophobicContact CG1-CE1 4.1Å; V38-F46 HydrophobicContact CG1-CG 3.94Å; S39-F46 VanDerWaalsContact CB-O 3.29Å; S39-F46 WeakPolarHBondContact CB-O 3.24Å; S39-F46 PolarHBondContact OG-O 3.32Å; S39-F46 VanDerWaalsContact OG-O 3.1Å; R42-F46 HydrophobicContact CB-CB 4.45Å; N44-F46 PolarHBondContact O-N 3.4Å; F46-G48 WeakPolarHBondContact CE1-O 3.23Å; F46-P98 HydrophobicContact CE2-CB 4.12Å; F46-P98 HydrophobicContact CZ-CB 4Å; F46-P98 HydrophobicContact CZ-CG 4.42Å; F46-E100 VanDerWaalsContact CA-OE1 3.29Å; F46-E100 WeakPolarHBondContact CA-OE1 3.24Å; F46-E100 HydrophobicContact CD2-CG 3.65Å; F46-E100 HydrophobicContact CE2-CG 3.71Å; F46-L103 HydrophobicContact CZ-CD2 4.3Å
47D90Very high92.4Very high126 Ų12644 Ų4467%0.67424%0.238SC*.  trans-105.29.4-179.2-163.531.7000112.4T49 E100D47-T49 PolarHBondContact O-N 2.84Å; D47-E100 PolarHBondContact N-OE1 2.95Å
48G91.6Very high92.7Very high3 Ų343.8 Ų43.83%0.03123%0.234CC..  trans-66118.7179.400000111.5L35 F46 Y104L35-G48 WeakPolarHBondContact CB-O 3.33Å; F46-G48 WeakPolarHBondContact CE1-O 3.23Å; G48-Y104 WeakPolarHBondContact CA-OH 3.23Å
49T92.2Very high92.8Very high34 Ų3446.9 Ų46.921%0.20925%0.25CC..  trans-108.4151.8177.957.50000113.5D47 T52 S53 Y104D47-T49 PolarHBondContact O-N 2.84Å; T49-T52 PolarHBondContact O-N 3.08Å; T49-T52 VanDerWaalsContact OG1-CB 3.28Å; T49-T52 WeakPolarHBondContact OG1-CB 3.45Å; T49-T52 PolarHBondContact OG1-N 2.75Å; T49-T52 PolarHBondContact OG1-OG1 3Å; T49-S53 WeakPolarHBondContact O-CB 3.41Å; T49-S53 PolarHBondContact O-N 3.24Å; T49-Y104 PolarHBondContact N-OH 3.07Å
50G92.2Very high93.1Very high0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-67.2-39.5178.300000111.9S53 L54G50-S53 WeakPolarHBondContact O-CB 3.25Å; G50-S53 PolarHBondContact O-N 3.12Å; G50-L54 WeakPolarHBondContact O-CG 3.22Å; G50-L54 PolarHBondContact O-N 3.4Å
51Y92.5Very high93.4Very high5 Ų540.6 Ų40.62%0.0222%0.219CC..Hα-helixtrans-63.4-42.9175.4-64.4-35.2000113.1Q32 S53 L54 A55 S272 S276 S346 F415Q32-Y51 HydrophobicContact CG-CE2 4.34Å; Y51-S53 VanDerWaalsContact C-N 3.32Å; Y51-S53 PolarHBondContact O-N 2.86Å; Y51-L54 PolarHBondContact O-N 3.24Å; Y51-A55 VanDerWaalsContact O-CB 3.26Å; Y51-A55 WeakPolarHBondContact O-CB 3.43Å; Y51-A55 PolarHBondContact O-N 3.21Å; Y51-S272 WeakPolarHBondContact CE1-OG 3.19Å; Y51-S276 WeakPolarHBondContact OH-CB 3.44Å; Y51-S276 PolarHBondContact OH-OG 2.82Å; Y51-S346 PolarHBondContact OH-O 3.47Å; Y51-S346 VanDerWaalsContact OH-O 3.08Å; Y51-F415 AromaticContact CD1-CD1 3.98Å; Y51-F415 HydrophobicContact CD1-CD1 3.98Å; Y51-F415 HydrophobicContact CD1-CE1 4.4Å
52T94.9Very high93.7Very high49 Ų4937.3 Ų37.330%0.30120%0.204SC..Hα-helixtrans-64.4-41.6175.6-57.90000110.9T49 L54 A55 I56 Y104T49-T52 PolarHBondContact O-N 3.08Å; T49-T52 VanDerWaalsContact OG1-CB 3.28Å; T49-T52 WeakPolarHBondContact OG1-CB 3.45Å; T49-T52 PolarHBondContact OG1-N 2.75Å; T49-T52 PolarHBondContact OG1-OG1 3Å; T52-L54 PolarHBondContact O-N 3.3Å; T52-A55 PolarHBondContact O-N 2.79Å; T52-I56 HydrophobicContact CG2-CD1 4.03Å; T52-I56 VanDerWaalsContact O-CG1 3.27Å; T52-I56 WeakPolarHBondContact O-CG1 3.32Å; T52-I56 PolarHBondContact O-N 3.19Å; T52-Y104 WeakPolarHBondContact CB-OH 3.39Å; T52-Y104 HydrophobicContact CG2-CD1 4.33Å; T52-Y104 HydrophobicContact CG2-CE1 3.61Å; T52-Y104 HydrophobicContact CG2-CE2 4.28Å; T52-Y104 WeakPolarHBondContact CG2-OH 3.47Å
53S96.1Very high94Very high0 Ų039 Ų390%022%0.217CC..Hα-helixtrans-57.3-50.1175.2-177.10000111.9T49 G50 Y51 I56 V57 Y91 Y95 S107T49-S53 WeakPolarHBondContact O-CB 3.41Å; T49-S53 PolarHBondContact O-N 3.24Å; G50-S53 WeakPolarHBondContact O-CB 3.25Å; G50-S53 PolarHBondContact O-N 3.12Å; Y51-S53 VanDerWaalsContact C-N 3.32Å; Y51-S53 PolarHBondContact O-N 2.86Å; S53-I56 PolarHBondContact O-N 3.35Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-V57 PolarHBondContact O-N 3.26Å; S53-Y91 WeakPolarHBondContact OG-CE2 3.38Å; S53-Y95 PolarHBondContact OG-OH 3.4Å; S53-Y95 VanDerWaalsContact OG-OH 3.11Å; S53-S107 WeakPolarHBondContact O-CB 2.99Å; S53-S107 PolarHBondContact O-OG 3.44Å; S53-S107 PolarHBondContact OG-OG 3.36Å
54L95.3Very high94.4Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-66.8-39.7177.4-70.6168.4000112.3G50 Y51 T52 I56 V57 Y58 F415G50-L54 WeakPolarHBondContact O-CG 3.22Å; G50-L54 PolarHBondContact O-N 3.4Å; Y51-L54 PolarHBondContact O-N 3.24Å; T52-L54 PolarHBondContact O-N 3.3Å; L54-I56 VanDerWaalsContact C-N 3.3Å; L54-I56 PolarHBondContact O-N 2.74Å; L54-V57 WeakPolarHBondContact O-CB 3.19Å; L54-V57 PolarHBondContact O-N 3.2Å; L54-Y58 HydrophobicContact CB-CD2 4.41Å; L54-Y58 HydrophobicContact CD2-CE2 4.12Å; L54-Y58 WeakPolarHBondContact O-CD2 3.43Å; L54-Y58 PolarHBondContact O-N 3.4Å; L54-F415 HydrophobicContact CB-CD1 3.91Å; L54-F415 HydrophobicContact CB-CD2 3.82Å; L54-F415 HydrophobicContact CB-CE1 3.96Å; L54-F415 HydrophobicContact CB-CE2 3.88Å; L54-F415 HydrophobicContact CB-CG 3.84Å; L54-F415 HydrophobicContact CB-CZ 3.95Å; L54-F415 HydrophobicContact CD1-CD1 4.18Å; L54-F415 HydrophobicContact CD1-CE1 3.57Å; L54-F415 HydrophobicContact CD1-CZ 3.77Å; L54-F415 HydrophobicContact CG-CE1 4.38Å; L54-F415 HydrophobicContact CG-CZ 4.35Å
55A96.4Very high94.9Very high4 Ų428.9 Ų28.93%0.03316%0.16CC..Hα-helixtrans-56-46.4173.900000111.2Y51 T52 Y58 I59 F415 V416Y51-A55 VanDerWaalsContact O-CB 3.26Å; Y51-A55 WeakPolarHBondContact O-CB 3.43Å; Y51-A55 PolarHBondContact O-N 3.21Å; T52-A55 PolarHBondContact O-N 2.79Å; A55-Y58 PolarHBondContact O-N 3Å; A55-I59 VanDerWaalsContact O-CB 3.3Å; A55-I59 WeakPolarHBondContact O-CB 3.23Å; A55-I59 WeakPolarHBondContact O-CG1 3.23Å; A55-I59 PolarHBondContact O-N 3.44Å; A55-F415 HydrophobicContact CB-CB 3.77Å; A55-V416 HydrophobicContact CB-CG2 3.67Å
56I97.8Very high95.2Very high45 Ų4528 Ų2823%0.23114%0.143CC..Hα-helixtrans-62.3-47.2176.8-67.2167.7000110.8T52 S53 L54 Y58 S60 Y104 F108T52-I56 HydrophobicContact CG2-CD1 4.03Å; T52-I56 VanDerWaalsContact O-CG1 3.27Å; T52-I56 WeakPolarHBondContact O-CG1 3.32Å; T52-I56 PolarHBondContact O-N 3.19Å; S53-I56 PolarHBondContact O-N 3.35Å; L54-I56 VanDerWaalsContact C-N 3.3Å; L54-I56 PolarHBondContact O-N 2.74Å; I56-Y58 VanDerWaalsContact C-N 3.33Å; I56-Y58 PolarHBondContact O-N 3.35Å; I56-S60 WeakPolarHBondContact O-CB 3.46Å; I56-S60 PolarHBondContact O-N 3.2Å; I56-S60 PolarHBondContact O-OG 3.35Å; I56-S60 VanDerWaalsContact O-OG 3.05Å; I56-Y104 HydrophobicContact CD1-CD1 3.6Å; I56-Y104 HydrophobicContact CD1-CD2 4.41Å; I56-Y104 HydrophobicContact CD1-CE1 4.3Å; I56-Y104 HydrophobicContact CD1-CG 3.64Å; I56-F108 HydrophobicContact CG2-CB 3.8Å
57V98Very high95.4Very high1 Ų132.3 Ų32.31%0.00616%0.162CC..Hα-helixtrans-53.3-51.2176.1171.60000110.6F24 S53 L54 S60 F61 Y91 S107 N110 G111F24-V57 HydrophobicContact CZ-CG1 4.44Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-V57 PolarHBondContact O-N 3.26Å; L54-V57 WeakPolarHBondContact O-CB 3.19Å; L54-V57 PolarHBondContact O-N 3.2Å; V57-S60 PolarHBondContact O-OG 2.82Å; V57-F61 WeakPolarHBondContact O-CB 3.44Å; V57-F61 PolarHBondContact O-N 3.49Å; V57-Y91 HydrophobicContact CG2-CD2 4.11Å; V57-Y91 HydrophobicContact CG2-CE2 3.74Å; V57-S107 WeakPolarHBondContact CA-O 3.43Å; V57-S107 WeakPolarHBondContact CG2-O 3.47Å; V57-N110 HydrophobicContact CG2-CB 4.42Å; V57-G111 VanDerWaalsContact O-CA 3.29Å; V57-G111 WeakPolarHBondContact O-CA 3.39Å
58Y97.6Very high95.5Very high10 Ų1026.3 Ų26.34%0.03913%0.13CC..Hα-helixtrans-79.1-32.4-171.4-78.4-71.1000113.2L54 A55 I56 F61 G62 L267 S408 S411 F415L54-Y58 HydrophobicContact CB-CD2 4.41Å; L54-Y58 HydrophobicContact CD2-CE2 4.12Å; L54-Y58 WeakPolarHBondContact O-CD2 3.43Å; L54-Y58 PolarHBondContact O-N 3.4Å; A55-Y58 PolarHBondContact O-N 3Å; I56-Y58 VanDerWaalsContact C-N 3.33Å; I56-Y58 PolarHBondContact O-N 3.35Å; Y58-F61 AromaticContact CD1-CD1 3.92Å; Y58-F61 HydrophobicContact CD1-CD1 3.92Å; Y58-F61 HydrophobicContact CE1-CD1 4.15Å; Y58-F61 HydrophobicContact CE1-CE1 4.44Å; Y58-G62 PolarHBondContact O-N 2.91Å; Y58-L267 HydrophobicContact CD1-CD2 4.3Å; Y58-L267 HydrophobicContact CE1-CD1 4.17Å; Y58-L267 HydrophobicContact CE1-CD2 3.56Å; Y58-L267 HydrophobicContact CE2-CD2 3.8Å; Y58-L267 VanDerWaalsContact OH-CD2 3.31Å; Y58-L267 WeakPolarHBondContact OH-CD2 3.43Å; Y58-S408 CarbonylContact C-O 3.43Å; Y58-S408 WeakPolarHBondContact CB-O 3.33Å; Y58-S408 CarbonylContact O-C 3.59Å; Y58-S408 VanDerWaalsContact O-C 3.25Å; Y58-S408 VanDerWaalsContact O-CB 3.22Å; Y58-S408 WeakPolarHBondContact O-CB 3.33Å; Y58-S408 VanDerWaalsContact O-O 3.12Å; Y58-S411 WeakPolarHBondContact CD2-OG 3.33Å; Y58-F415 AromaticContact CD2-CD2 3.7Å; Y58-F415 HydrophobicContact CD2-CD2 3.7Å; Y58-F415 AromaticContact CD2-CE2 3.36Å; Y58-F415 HydrophobicContact CD2-CE2 3.36Å; Y58-F415 HydrophobicContact CD2-CZ 4.46Å; Y58-F415 HydrophobicContact CE2-CD2 4.28Å; Y58-F415 AromaticContact CE2-CE2 3.48Å; Y58-F415 HydrophobicContact CE2-CE2 3.48Å; Y58-F415 VanDerWaalsContact CE2-CE2 3.48Å; Y58-F415 HydrophobicContact CE2-CZ 4.24Å; Y58-F415 HydrophobicContact CG-CE2 4.35Å
59I98.2Very high95.4Very high65 Ų6526.7 Ų26.733%0.33313%0.131SC..Hα-helixtrans-65.5-49171.1-69.1169.3000110A55 G62 L63 V416A55-I59 VanDerWaalsContact O-CB 3.3Å; A55-I59 WeakPolarHBondContact O-CB 3.23Å; A55-I59 WeakPolarHBondContact O-CG1 3.23Å; A55-I59 PolarHBondContact O-N 3.44Å; I59-G62 WeakPolarHBondContact O-CA 3.44Å; I59-G62 PolarHBondContact O-N 3.38Å; I59-L63 HydrophobicContact CG2-CD1 4.02Å; I59-L63 HydrophobicContact CG2-CG 4.49Å; I59-L63 WeakPolarHBondContact O-CG 3.47Å; I59-L63 PolarHBondContact O-N 2.99Å; I59-V416 HydrophobicContact CD1-CG2 4.34Å
60S98.3Very high95.3Very high2 Ų225.7 Ų25.71%0.01413%0.125CC..Hα-helixtrans-66.3-42178.770.20000111I56 V57 G62 L63 F64 F108 G111I56-S60 WeakPolarHBondContact O-CB 3.46Å; I56-S60 PolarHBondContact O-N 3.2Å; I56-S60 PolarHBondContact O-OG 3.35Å; I56-S60 VanDerWaalsContact O-OG 3.05Å; V57-S60 PolarHBondContact O-OG 2.82Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 2.96Å; S60-L63 PolarHBondContact O-N 2.88Å; S60-L63 VanDerWaalsContact O-N 3.16Å; S60-F64 WeakPolarHBondContact O-CB 3.45Å; S60-F64 WeakPolarHBondContact O-CD2 3.38Å; S60-F64 PolarHBondContact O-N 3.33Å; S60-F108 PolarHBondContact OG-O 2.96Å; S60-G111 VanDerWaalsContact OG-CA 3.23Å; S60-G111 WeakPolarHBondContact OG-CA 3.37Å
61F98.1Very high95.2Very high7 Ų728.1 Ų28.13%0.03114%0.139CC..Hα-helixtrans-52.6-46.9170.4-179.7-168000111.5V57 Y58 L63 N65 G111 A114 A115 W118 K404 S408V57-F61 WeakPolarHBondContact O-CB 3.44Å; V57-F61 PolarHBondContact O-N 3.49Å; Y58-F61 AromaticContact CD1-CD1 3.92Å; Y58-F61 HydrophobicContact CD1-CD1 3.92Å; Y58-F61 HydrophobicContact CE1-CD1 4.15Å; Y58-F61 HydrophobicContact CE1-CE1 4.44Å; F61-L63 PolarHBondContact O-N 3.31Å; F61-N65 WeakPolarHBondContact CD2-ND2 3.28Å; F61-N65 WeakPolarHBondContact CE2-ND2 3.31Å; F61-N65 PolarHBondContact O-N 2.82Å; F61-N65 PolarHBondContact O-ND2 3.43Å; F61-G111 WeakPolarHBondContact CA-O 3.44Å; F61-A114 HydrophobicContact CB-CB 4.24Å; F61-A114 HydrophobicContact CD1-CB 3.86Å; F61-A114 HydrophobicContact CD2-CB 3.89Å; F61-A114 HydrophobicContact CE1-CB 4.17Å; F61-A114 HydrophobicContact CE2-CB 4.2Å; F61-A114 WeakPolarHBondContact CE2-O 3.19Å; F61-A114 HydrophobicContact CG-CB 3.74Å; F61-A114 HydrophobicContact CZ-CB 4.35Å; F61-A115 HydrophobicContact CD2-CB 3.87Å; F61-A115 VanDerWaalsContact CD2-N 3.26Å; F61-A115 VanDerWaalsContact CE2-CA 3.49Å; F61-A115 HydrophobicContact CE2-CB 4.38Å; F61-W118 AromaticContact CE1-CD1 3.99Å; F61-W118 HydrophobicContact CE2-CB 4.34Å; F61-W118 HydrophobicContact CZ-CB 4.02Å; F61-W118 AromaticContact CZ-CD1 3.52Å; F61-W118 AromaticContact CZ-CG 3.93Å; F61-W118 HydrophobicContact CZ-CG 3.93Å; F61-K404 HydrophobicContact CE2-CB 3.95Å; F61-K404 HydrophobicContact CZ-CB 3.94Å; F61-K404 HydrophobicContact CZ-CD 4.21Å; F61-K404 HydrophobicContact CZ-CG 4.32Å; F61-S408 WeakPolarHBondContact CD1-OG 3.25Å; F61-S408 WeakPolarHBondContact CE1-OG 3.37Å; F61-S408 WeakPolarHBondContact CG-OG 3.4Å
62G97Very high95.1Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-53.3-52.9174.500000114Y58 I59 S60 S405Y58-G62 PolarHBondContact O-N 2.91Å; I59-G62 WeakPolarHBondContact O-CA 3.44Å; I59-G62 PolarHBondContact O-N 3.38Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 2.96Å; G62-S405 WeakPolarHBondContact O-CB 3.42Å; G62-S405 PolarHBondContact O-OG 3.31Å
63L97.2Very high94.7Very high96 Ų9630 Ų3050%0.50315%0.146SC..Hα-helixtrans-68.4-43.9-177.3-66.5172.4000112.5I59 S60 F61 N65 W66I59-L63 HydrophobicContact CG2-CD1 4.02Å; I59-L63 HydrophobicContact CG2-CG 4.49Å; I59-L63 WeakPolarHBondContact O-CG 3.47Å; I59-L63 PolarHBondContact O-N 2.99Å; S60-L63 PolarHBondContact O-N 2.88Å; S60-L63 VanDerWaalsContact O-N 3.16Å; F61-L63 PolarHBondContact O-N 3.31Å; L63-N65 VanDerWaalsContact C-N 3.32Å; L63-N65 PolarHBondContact O-N 3.38Å; L63-W66 PolarHBondContact O-N 2.97Å
64F97.4Very high94.3Very high63 Ų6333.5 Ų33.528%0.27616%0.16SC..Hα-helixtrans-78.7-14.1-173.9-75-76.3000114S60 W66 F67 A68 F108 I112 A115S60-F64 WeakPolarHBondContact O-CB 3.45Å; S60-F64 WeakPolarHBondContact O-CD2 3.38Å; S60-F64 PolarHBondContact O-N 3.33Å; F64-W66 PolarHBondContact O-N 3.41Å; F64-F67 HydrophobicContact CD1-CD2 4.41Å; F64-F67 PolarHBondContact O-N 3.2Å; F64-A68 PolarHBondContact O-N 3.04Å; F64-A68 VanDerWaalsContact O-N 3.08Å; F64-F108 HydrophobicContact CE2-CE1 4.29Å; F64-F108 AromaticContact CE2-CE2 3.82Å; F64-F108 HydrophobicContact CE2-CE2 3.82Å; F64-F108 AromaticContact CE2-CZ 3.52Å; F64-F108 HydrophobicContact CE2-CZ 3.52Å; F64-F108 HydrophobicContact CZ-CE1 4.43Å; F64-F108 HydrophobicContact CZ-CE2 4.45Å; F64-F108 AromaticContact CZ-CZ 3.76Å; F64-F108 HydrophobicContact CZ-CZ 3.76Å; F64-I112 HydrophobicContact CD1-CG1 4.15Å; F64-I112 HydrophobicContact CD2-CB 4.41Å; F64-I112 HydrophobicContact CD2-CD1 4.34Å; F64-I112 HydrophobicContact CD2-CG1 3.41Å; F64-I112 VanDerWaalsContact CD2-CG1 3.41Å; F64-I112 HydrophobicContact CE1-CD1 4.38Å; F64-I112 HydrophobicContact CE1-CG1 4.22Å; F64-I112 HydrophobicContact CE2-CD1 3.97Å; F64-I112 HydrophobicContact CE2-CG1 3.51Å; F64-I112 HydrophobicContact CG-CB 4.43Å; F64-I112 HydrophobicContact CG-CG1 3.76Å; F64-I112 HydrophobicContact CZ-CD1 3.98Å; F64-I112 HydrophobicContact CZ-CG1 3.92Å; F64-A115 HydrophobicContact CB-CB 3.86Å
65N94.9Very high94Very high0 Ų037.4 Ų37.40%018%0.181CC..THydrogen-bonded Turntrans-56.9-29.4170.8-92.8-57.7000112.7F61 L63 F67 A68 P69 A115 T119 A401 K404 S405F61-N65 WeakPolarHBondContact CD2-ND2 3.28Å; F61-N65 WeakPolarHBondContact CE2-ND2 3.31Å; F61-N65 PolarHBondContact O-N 2.82Å; F61-N65 PolarHBondContact O-ND2 3.43Å; L63-N65 VanDerWaalsContact C-N 3.32Å; L63-N65 PolarHBondContact O-N 3.38Å; N65-F67 PolarHBondContact O-N 3.49Å; N65-F67 VanDerWaalsContact O-N 3.16Å; N65-A68 PolarHBondContact O-N 3.07Å; N65-P69 VanDerWaalsContact O-CD 3.23Å; N65-P69 WeakPolarHBondContact O-CD 3.36Å; N65-A115 PolarHBondContact OD1-O 2.85Å; N65-T119 PolarHBondContact OD1-OG1 3.42Å; N65-A401 WeakPolarHBondContact CB-O 3.14Å; N65-A401 WeakPolarHBondContact O-CB 3.45Å; N65-K404 VanDerWaalsContact ND2-C 3.26Å; N65-K404 PolarHBondContact ND2-O 3.07Å; N65-S405 PolarHBondContact ND2-N 3.01Å
66W93.4Very high93.7Very high73 Ų7338.3 Ų38.328%0.27719%0.19SC..THydrogen-bonded Turntrans-62.5-23.4176.6-70.271.1000113.2L63 F64 L241 V245 L248 S405L63-W66 PolarHBondContact O-N 2.97Å; F64-W66 PolarHBondContact O-N 3.41Å; W66-L241 HydrophobicContact CB-CD2 4.14Å; W66-L241 HydrophobicContact CE3-CD2 4.13Å; W66-L241 WeakPolarHBondContact O-CD2 3.44Å; W66-V245 HydrophobicContact CZ3-CG2 4.14Å; W66-L248 HydrophobicContact CH2-CD2 4.33Å; W66-S405 PolarHBondContact NE1-OG 2.93Å
67F93.3Very high93.5Very high96 Ų9638.3 Ų38.342%0.42119%0.189SC..THydrogen-bonded Turntrans-106-13.7179.3-55.9-81.8000112.9F64 N65 I70 V71 L241F64-F67 HydrophobicContact CD1-CD2 4.41Å; F64-F67 PolarHBondContact O-N 3.2Å; N65-F67 PolarHBondContact O-N 3.49Å; N65-F67 VanDerWaalsContact O-N 3.16Å; F67-I70 HydrophobicContact CD1-CD1 4.31Å; F67-I70 WeakPolarHBondContact O-CB 3.43Å; F67-I70 PolarHBondContact O-N 2.85Å; F67-V71 PolarHBondContact O-N 3.13Å; F67-L241 HydrophobicContact CE1-CD1 4.27Å
68A92.7Very high93.4Very high0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-55.6-42.1-178.500000113.9F64 N65 I70 V71 V72 A115 T119F64-A68 PolarHBondContact O-N 3.04Å; F64-A68 VanDerWaalsContact O-N 3.08Å; N65-A68 PolarHBondContact O-N 3.07Å; A68-I70 PolarHBondContact O-N 3.43Å; A68-I70 VanDerWaalsContact O-N 3.17Å; A68-V71 PolarHBondContact O-N 3.12Å; A68-V71 VanDerWaalsContact O-N 3.11Å; A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 3Å; A68-A115 HydrophobicContact CB-CB 4.29Å; A68-A115 WeakPolarHBondContact CB-O 3.49Å; A68-T119 HydrophobicContact CB-CG2 4.05Å; A68-T119 WeakPolarHBondContact CB-OG1 3.46Å
69P89.8Confident93.3Very high10 Ų1046.7 Ų46.77%0.06522%0.223CC..Hα-helixtrans-57.1-33.7176.8-2734.9000113.8N65 M73 T119 T397 V398 A401N65-P69 VanDerWaalsContact O-CD 3.23Å; N65-P69 WeakPolarHBondContact O-CD 3.36Å; P69-M73 VanDerWaalsContact O-CB 3.28Å; P69-M73 WeakPolarHBondContact O-CB 3.38Å; P69-M73 PolarHBondContact O-N 3.36Å; P69-T119 HydrophobicContact CG-CG2 4.45Å; P69-T397 HydrophobicContact CB-CG2 3.84Å; P69-T397 HydrophobicContact CG-CG2 4.19Å; P69-V398 HydrophobicContact CB-CG2 4.36Å; P69-V398 HydrophobicContact CG-CG2 4.25Å; P69-A401 HydrophobicContact CG-CB 3.66Å
70I89.5Confident93.2Very high14 Ų1443.6 Ų43.67%0.07221%0.207CC..Hα-helixtrans-69.8-45.2179.6-59158.1000109.6F67 A68 V72 M73 Y74 T237F67-I70 HydrophobicContact CD1-CD1 4.31Å; F67-I70 WeakPolarHBondContact O-CB 3.43Å; F67-I70 PolarHBondContact O-N 2.85Å; A68-I70 PolarHBondContact O-N 3.43Å; A68-I70 VanDerWaalsContact O-N 3.17Å; I70-V72 VanDerWaalsContact C-N 3.33Å; I70-V72 PolarHBondContact O-N 2.96Å; I70-M73 WeakPolarHBondContact O-CB 3.44Å; I70-M73 PolarHBondContact O-N 3.39Å; I70-Y74 HydrophobicContact CG2-CD2 3.75Å; I70-Y74 HydrophobicContact CG2-CE2 3.57Å; I70-Y74 WeakPolarHBondContact O-CD2 3.39Å; I70-Y74 PolarHBondContact O-N 3.12Å; I70-Y74 VanDerWaalsContact O-N 3.09Å; I70-T237 HydrophobicContact CD1-CG2 3.48Å; I70-T237 VanDerWaalsContact CD1-CG2 3.48Å
71V91Very high93.2Very high50 Ų5043.5 Ų43.530%0.30321%0.207SC..Hα-helixtrans-60.4-45.6176.5-178.60000110.5F67 A68 M73 Y74 L75 V116F67-V71 PolarHBondContact O-N 3.13Å; A68-V71 PolarHBondContact O-N 3.12Å; A68-V71 VanDerWaalsContact O-N 3.11Å; V71-M73 VanDerWaalsContact C-N 3.33Å; V71-M73 PolarHBondContact O-N 3.19Å; V71-Y74 PolarHBondContact O-N 3.48Å; V71-L75 HydrophobicContact CG1-CD1 3.71Å; V71-L75 HydrophobicContact CG1-CG 4.33Å; V71-L75 WeakPolarHBondContact O-CB 3.47Å; V71-L75 PolarHBondContact O-N 2.91Å; V71-V116 HydrophobicContact CB-CG1 4.29Å; V71-V116 HydrophobicContact CB-CG2 4.03Å; V71-V116 HydrophobicContact CG1-CB 4.46Å; V71-V116 HydrophobicContact CG1-CG1 3.64Å; V71-V116 HydrophobicContact CG1-CG2 3.89Å; V71-V116 HydrophobicContact CG2-CG2 4.14Å
72V90.7Very high93.2Very high6 Ų643.6 Ų43.64%0.03621%0.207CC..Hα-helixtrans-62.9-39.7177.91780000111.8A68 I70 Y74 G76 E77 S80 T119 A120 T397A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 3Å; I70-V72 VanDerWaalsContact C-N 3.33Å; I70-V72 PolarHBondContact O-N 2.96Å; V72-Y74 VanDerWaalsContact C-N 3.34Å; V72-Y74 PolarHBondContact O-N 3.17Å; V72-G76 CarbonylContact O-C 3.57Å; V72-G76 WeakPolarHBondContact O-CA 3.43Å; V72-G76 PolarHBondContact O-N 3.37Å; V72-E77 HydrophobicContact CG1-CG 4.17Å; V72-S80 WeakPolarHBondContact CA-OG 3.35Å; V72-T119 HydrophobicContact CG2-CG2 4.14Å; V72-A120 HydrophobicContact CG1-CB 4.5Å; V72-A120 HydrophobicContact CG2-CB 3.81Å; V72-T397 HydrophobicContact CB-CG2 4.36Å; V72-T397 HydrophobicContact CG1-CG2 4.39Å
73M85.9Confident93.2Very high87 Ų8745.7 Ų45.743%0.42923%0.225SC..Hα-helixtrans-62.2-39.1176.4-175.2-172.667.900112.5P69 I70 V71P69-M73 VanDerWaalsContact O-CB 3.28Å; P69-M73 WeakPolarHBondContact O-CB 3.38Å; P69-M73 PolarHBondContact O-N 3.36Å; I70-M73 WeakPolarHBondContact O-CB 3.44Å; I70-M73 PolarHBondContact O-N 3.39Å; V71-M73 VanDerWaalsContact C-N 3.33Å; V71-M73 PolarHBondContact O-N 3.19Å
74Y87.2Confident93.3Very high74 Ų7441.2 Ų41.229%0.2920%0.202SC..Hα-helixtrans-82.7-42.4-178.5-77.5-65.7000113.9I70 V71 V72 I227 V233I70-Y74 HydrophobicContact CG2-CD2 3.75Å; I70-Y74 HydrophobicContact CG2-CE2 3.57Å; I70-Y74 WeakPolarHBondContact O-CD2 3.39Å; I70-Y74 PolarHBondContact O-N 3.12Å; I70-Y74 VanDerWaalsContact O-N 3.09Å; V71-Y74 PolarHBondContact O-N 3.48Å; V72-Y74 VanDerWaalsContact C-N 3.34Å; V72-Y74 PolarHBondContact O-N 3.17Å; Y74-I227 HydrophobicContact CD1-CD1 4.01Å; Y74-I227 HydrophobicContact CE1-CD1 3.98Å; Y74-I227 HydrophobicContact CE1-CG2 3.95Å; Y74-V233 HydrophobicContact CE2-CG1 4.28Å; Y74-V233 WeakPolarHBondContact OH-CA 3.01Å
75L90.1Very high93.3Very high83 Ų8338.2 Ų38.244%0.43519%0.188SC..Hα-helixtrans-87.9-19.9-176.9-66.1-178.8000113V71 Y79V71-L75 HydrophobicContact CG1-CD1 3.71Å; V71-L75 HydrophobicContact CG1-CG 4.33Å; V71-L75 WeakPolarHBondContact O-CB 3.47Å; V71-L75 PolarHBondContact O-N 2.91Å; L75-Y79 WeakPolarHBondContact O-CD2 3.45Å
76G89.6Confident93.5Very high23 Ų2343.4 Ų43.424%0.23721%0.211CC..Hα-helixtrans74.5166.2-164.200000112.1V72 K78 S80V72-G76 CarbonylContact O-C 3.57Å; V72-G76 WeakPolarHBondContact O-CA 3.43Å; V72-G76 PolarHBondContact O-N 3.37Å; G76-K78 PolarHBondContact O-N 2.84Å; G76-S80 WeakPolarHBondContact O-CB 3.47Å; G76-S80 PolarHBondContact O-N 3.36Å; G76-S80 VanDerWaalsContact O-N 3.09Å; G76-S80 PolarHBondContact O-OG 2.99Å
77E93.2Very high93.7Very high44 Ų4441 Ų4121%0.20621%0.206CC..Hα-helixtrans-67.9-42.3-170.6-50.875.6-163.300111.7V72 S80 M81 A120 A123 F124V72-E77 HydrophobicContact CG1-CG 4.17Å; E77-S80 PolarHBondContact O-N 3.25Å; E77-M81 WeakPolarHBondContact O-CG 3.34Å; E77-M81 PolarHBondContact O-N 3.4Å; E77-A120 HydrophobicContact CB-CB 4.42Å; E77-A123 HydrophobicContact CG-CB 4.18Å; E77-F124 HydrophobicContact CB-CB 3.85Å; E77-F124 HydrophobicContact CB-CD2 3.86Å; E77-F124 HydrophobicContact CB-CG 4.3Å; E77-F124 HydrophobicContact CG-CB 4.15Å; E77-F124 HydrophobicContact CG-CD2 4.43Å
78K95.4Very high93.9Very high48 Ų4836.7 Ų36.721%0.20919%0.186CC..Hα-helixtrans-58.4-54.7-179.3177.1179.2178.4173.30112.1G76 S80 M81 I82 L189 F190 L192G76-K78 PolarHBondContact O-N 2.84Å; K78-S80 VanDerWaalsContact C-N 3.32Å; K78-M81 PolarHBondContact O-N 2.82Å; K78-I82 HydrophobicContact CG-CD1 4.06Å; K78-I82 WeakPolarHBondContact O-CG1 3.19Å; K78-I82 PolarHBondContact O-N 2.87Å; K78-I82 VanDerWaalsContact O-N 3.09Å; K78-L189 WeakPolarHBondContact CE-O 3.41Å; K78-F190 WeakPolarHBondContact CE-O 3.38Å; K78-F190 PolarHBondContact NZ-O 3.04Å; K78-L192 HydrophobicContact CD-CB 4.19Å; K78-L192 WeakPolarHBondContact CD-O 3.33Å; K78-L192 WeakPolarHBondContact CE-O 3.44Å; K78-L192 HydrophobicContact CG-CB 4.25Å; K78-L192 PolarHBondContact NZ-O 3.28Å
79Y95.6Very high94.2Very high140 Ų14037.2 Ų37.255%0.54919%0.191SC..Hα-helixtrans-73.4-28-176.4-63.9-70.8000112.1L75 I82 A83L75-Y79 WeakPolarHBondContact O-CD2 3.45Å; Y79-I82 HydrophobicContact CD1-CD1 4.25Å; Y79-I82 PolarHBondContact O-N 2.61Å; Y79-A83 WeakPolarHBondContact O-CB 3.37Å; Y79-A83 PolarHBondContact O-N 3.28Å
80S96.8Very high94.6Very high0 Ų040.6 Ų40.60%021%0.211CC..Hα-helixtrans-62.3-46.2170.1-64.80000112.1V72 G76 E77 K78 A83 G84V72-S80 WeakPolarHBondContact CA-OG 3.35Å; G76-S80 WeakPolarHBondContact O-CB 3.47Å; G76-S80 PolarHBondContact O-N 3.36Å; G76-S80 VanDerWaalsContact O-N 3.09Å; G76-S80 PolarHBondContact O-OG 2.99Å; E77-S80 PolarHBondContact O-N 3.25Å; K78-S80 VanDerWaalsContact C-N 3.32Å; S80-A83 PolarHBondContact O-N 3.31Å; S80-G84 PolarHBondContact O-N 3.41Å
81M97.8Very high95Very high0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-61.3-44.1174.5-72.5-173.9-72.900111.7T13 F17 E77 K78 G84 S85 A120 Q121 F124 L189 L192T13-M81 HydrophobicContact CG2-SD 4.1Å; F17-M81 HydrophobicContact CE2-SD 3.99Å; F17-M81 HydrophobicContact CZ-SD 4.31Å; E77-M81 WeakPolarHBondContact O-CG 3.34Å; E77-M81 PolarHBondContact O-N 3.4Å; K78-M81 PolarHBondContact O-N 2.82Å; M81-G84 PolarHBondContact O-N 3.43Å; M81-S85 WeakPolarHBondContact O-CB 3.36Å; M81-S85 PolarHBondContact O-N 3.08Å; M81-S85 PolarHBondContact O-OG 3.22Å; M81-A120 HydrophobicContact CG-CB 3.72Å; M81-Q121 HydrophobicContact SD-CB 3.99Å; M81-F124 HydrophobicContact CE-CB 4.13Å; M81-F124 HydrophobicContact CE-CD1 4.03Å; M81-F124 HydrophobicContact CE-CD2 4.14Å; M81-F124 HydrophobicContact CE-CE1 4.48Å; M81-F124 HydrophobicContact CE-CG 3.84Å; M81-L189 HydrophobicContact CB-CD1 4.22Å; M81-L189 HydrophobicContact CB-CD2 4.43Å; M81-L192 HydrophobicContact CE-CD1 3.52Å
82I98.3Very high95.3Very high9 Ų937.5 Ų37.55%0.04619%0.193CC..Hα-helixtrans-61-50.9177.2-67.8167000110.9K78 Y79 G84 S85 F86 L189 F190K78-I82 HydrophobicContact CG-CD1 4.06Å; K78-I82 WeakPolarHBondContact O-CG1 3.19Å; K78-I82 PolarHBondContact O-N 2.87Å; K78-I82 VanDerWaalsContact O-N 3.09Å; Y79-I82 HydrophobicContact CD1-CD1 4.25Å; Y79-I82 PolarHBondContact O-N 2.61Å; I82-G84 VanDerWaalsContact C-N 3.34Å; I82-G84 PolarHBondContact O-N 2.83Å; I82-S85 WeakPolarHBondContact CA-OG 3.29Å; I82-S85 PolarHBondContact O-N 3.44Å; I82-S85 VanDerWaalsContact O-N 3.16Å; I82-S85 PolarHBondContact O-OG 3.29Å; I82-F86 HydrophobicContact CG2-CD2 4.11Å; I82-F86 HydrophobicContact CG2-CE2 3.67Å; I82-F86 VanDerWaalsContact O-CD2 3.24Å; I82-F86 WeakPolarHBondContact O-CD2 3.34Å; I82-F86 PolarHBondContact O-N 2.88Å; I82-L189 HydrophobicContact CD1-CB 4.42Å; I82-L189 HydrophobicContact CG1-CB 3.65Å; I82-L189 HydrophobicContact CG1-CD1 4.38Å; I82-F190 HydrophobicContact CD1-CD1 3.92Å; I82-F190 HydrophobicContact CD1-CD2 4.28Å; I82-F190 HydrophobicContact CD1-CE1 3.98Å; I82-F190 HydrophobicContact CD1-CE2 4.34Å; I82-F190 HydrophobicContact CD1-CG 4.08Å; I82-F190 HydrophobicContact CD1-CZ 4.19Å; I82-F190 HydrophobicContact CG2-CE1 4.42Å; I82-F190 HydrophobicContact CG2-CE2 3.88Å; I82-F190 HydrophobicContact CG2-CZ 3.7Å
83A97.8Very high95.6Very high44 Ų4439 Ų3936%0.36421%0.206SC..Hα-helixtrans-59.5-43.9179.700000112.1Y79 S80 S85 F86Y79-A83 WeakPolarHBondContact O-CB 3.37Å; Y79-A83 PolarHBondContact O-N 3.28Å; S80-A83 PolarHBondContact O-N 3.31Å; A83-S85 VanDerWaalsContact C-N 3.34Å; A83-S85 PolarHBondContact O-N 3.48Å; A83-F86 PolarHBondContact O-N 3.04Å
84G98.2Very high96.2Very high2 Ų235.3 Ų35.32%0.02119%0.189CC..Hα-helixtrans-65.2-36.4176.400000113.1S80 M81 I82 F86 C87 Y88 G113S80-G84 PolarHBondContact O-N 3.41Å; M81-G84 PolarHBondContact O-N 3.43Å; I82-G84 VanDerWaalsContact C-N 3.34Å; I82-G84 PolarHBondContact O-N 2.83Å; G84-F86 VanDerWaalsContact C-N 3.32Å; G84-F86 PolarHBondContact O-N 3.09Å; G84-C87 WeakPolarHBondContact O-CB 3.29Å; G84-C87 PolarHBondContact O-N 2.92Å; G84-C87 VanDerWaalsContact O-N 3.1Å; G84-Y88 PolarHBondContact O-N 3.04Å; G84-G113 WeakPolarHBondContact CA-O 3.39Å
85S98.4Very high96.6Very high0 Ų031.8 Ų31.80%018%0.175CC..Hα-helixtrans-66.6-29179.466.80000113.8M81 I82 A83 C87 Y88 A89 I186M81-S85 WeakPolarHBondContact O-CB 3.36Å; M81-S85 PolarHBondContact O-N 3.08Å; M81-S85 PolarHBondContact O-OG 3.22Å; I82-S85 WeakPolarHBondContact CA-OG 3.29Å; I82-S85 PolarHBondContact O-N 3.44Å; I82-S85 VanDerWaalsContact O-N 3.16Å; I82-S85 PolarHBondContact O-OG 3.29Å; A83-S85 VanDerWaalsContact C-N 3.34Å; A83-S85 PolarHBondContact O-N 3.48Å; S85-C87 VanDerWaalsContact C-N 3.29Å; S85-C87 PolarHBondContact O-N 3.36Å; S85-Y88 WeakPolarHBondContact O-CB 3.38Å; S85-Y88 PolarHBondContact O-N 3.43Å; S85-A89 PolarHBondContact O-N 2.94Å; S85-I186 WeakPolarHBondContact OG-CG1 3.44Å
86F98.2Very high96.8Very high108 Ų10829.9 Ų29.947%0.47417%0.165SC..Hα-helixtrans-64.2-34.1171.6-81.7-73.4000112.5I82 A83 G84 Y88 A89 V90 I186I82-F86 HydrophobicContact CG2-CD2 4.11Å; I82-F86 HydrophobicContact CG2-CE2 3.67Å; I82-F86 VanDerWaalsContact O-CD2 3.24Å; I82-F86 WeakPolarHBondContact O-CD2 3.34Å; I82-F86 PolarHBondContact O-N 2.88Å; A83-F86 PolarHBondContact O-N 3.04Å; G84-F86 VanDerWaalsContact C-N 3.32Å; G84-F86 PolarHBondContact O-N 3.09Å; F86-Y88 VanDerWaalsContact C-N 3.32Å; F86-Y88 PolarHBondContact O-N 3.37Å; F86-A89 PolarHBondContact O-N 3.15Å; F86-V90 WeakPolarHBondContact O-CG2 3.35Å; F86-V90 PolarHBondContact O-N 3.47Å; F86-I186 HydrophobicContact CD1-CD1 4.14Å; F86-I186 HydrophobicContact CE1-CD1 4.38Å; F86-I186 HydrophobicContact CE1-CG2 4.26Å; F86-I186 HydrophobicContact CE2-CG2 4.01Å; F86-I186 HydrophobicContact CG-CD1 4.5Å; F86-I186 HydrophobicContact CZ-CG2 3.85Å
87C98.4Very high97Very high24 Ų2432.9 Ų32.916%0.16217%0.172CC..Hα-helixtrans-66.7-36.3178.5-54.40000111.4G84 S85 V90 Y91 V109G84-C87 WeakPolarHBondContact O-CB 3.29Å; G84-C87 PolarHBondContact O-N 2.92Å; G84-C87 VanDerWaalsContact O-N 3.1Å; S85-C87 VanDerWaalsContact C-N 3.29Å; S85-C87 PolarHBondContact O-N 3.36Å; C87-V90 PolarHBondContact O-N 3.13Å; C87-Y91 PolarHBondContact O-N 3.13Å; C87-V109 HydrophobicContact CB-CG1 4.17Å
88Y98.4Very high97.1Very high4 Ų430.8 Ų30.82%0.01616%0.163CC..Hα-helixtrans-62-43.2171.8-81.6-83.6000112.1L20 F21 F24 G84 S85 F86 V90 Y91 I92 N110 A114 L117 W118L20-Y88 HydrophobicContact CD2-CD2 4.18Å; L20-Y88 HydrophobicContact CD2-CG 4.41Å; L20-Y88 HydrophobicContact CG-CG 4.47Å; F21-Y88 HydrophobicContact CE1-CE1 4.02Å; F21-Y88 HydrophobicContact CZ-CE1 4.15Å; F21-Y88 HydrophobicContact CZ-CE2 4.31Å; F21-Y88 AromaticContact CZ-CZ 3.76Å; F24-Y88 HydrophobicContact CB-CD1 3.76Å; F24-Y88 HydrophobicContact CB-CE1 4.07Å; F24-Y88 HydrophobicContact CD1-CD1 4.32Å; F24-Y88 AromaticContact CD1-CE1 3.78Å; F24-Y88 HydrophobicContact CD1-CE1 3.78Å; F24-Y88 AromaticContact CD2-CD1 3.4Å; F24-Y88 HydrophobicContact CD2-CD1 3.4Å; F24-Y88 VanDerWaalsContact CD2-CD1 3.4Å; F24-Y88 AromaticContact CD2-CE1 3.47Å; F24-Y88 HydrophobicContact CD2-CE1 3.47Å; F24-Y88 VanDerWaalsContact CD2-CE1 3.47Å; F24-Y88 HydrophobicContact CE1-CE1 4.04Å; F24-Y88 HydrophobicContact CE2-CD1 4.05Å; F24-Y88 AromaticContact CE2-CE1 3.76Å; F24-Y88 HydrophobicContact CE2-CE1 3.76Å; F24-Y88 AromaticContact CG-CD1 3.55Å; F24-Y88 HydrophobicContact CG-CD1 3.55Å; F24-Y88 AromaticContact CG-CE1 3.47Å; F24-Y88 HydrophobicContact CG-CE1 3.47Å; F24-Y88 VanDerWaalsContact CG-CE1 3.47Å; F24-Y88 HydrophobicContact CZ-CE1 4.03Å; G84-Y88 PolarHBondContact O-N 3.04Å; S85-Y88 WeakPolarHBondContact O-CB 3.38Å; S85-Y88 PolarHBondContact O-N 3.43Å; F86-Y88 VanDerWaalsContact C-N 3.32Å; F86-Y88 PolarHBondContact O-N 3.37Å; Y88-V90 PolarHBondContact O-N 2.91Å; Y88-Y91 WeakPolarHBondContact O-CB 3.49Å; Y88-Y91 PolarHBondContact O-N 3.48Å; Y88-I92 WeakPolarHBondContact O-CD1 3.28Å; Y88-I92 WeakPolarHBondContact O-CG1 3.07Å; Y88-I92 PolarHBondContact O-N 3.39Å; Y88-N110 WeakPolarHBondContact CA-OD1 3.31Å; Y88-N110 VanDerWaalsContact CD1-OD1 3.27Å; Y88-N110 WeakPolarHBondContact CD1-OD1 3.43Å; Y88-N110 WeakPolarHBondContact CD2-OD1 3.31Å; Y88-N110 PolarHBondContact N-OD1 2.92Å; Y88-A114 HydrophobicContact CE2-CB 4.07Å; Y88-A114 VanDerWaalsContact OH-CB 3.29Å; Y88-A114 WeakPolarHBondContact OH-CB 3.38Å; Y88-L117 HydrophobicContact CD2-CD1 4.13Å; Y88-L117 HydrophobicContact CE2-CD1 4.02Å; Y88-L117 HydrophobicContact CE2-CD2 4.28Å; Y88-W118 PolarHBondContact OH-NE1 2.68Å
89A98.2Very high97Very high12 Ų1233.3 Ų33.310%0.09917%0.174CC..Hα-helixtrans-62.5-41.7177.100000112.2S85 F86 Y91 I92 A93 L179 A182 I186S85-A89 PolarHBondContact O-N 2.94Å; F86-A89 PolarHBondContact O-N 3.15Å; A89-Y91 VanDerWaalsContact C-N 3.33Å; A89-Y91 PolarHBondContact O-N 3.05Å; A89-I92 PolarHBondContact O-N 2.98Å; A89-A93 WeakPolarHBondContact O-CB 3.49Å; A89-A93 PolarHBondContact O-N 3.25Å; A89-L179 HydrophobicContact CB-CD1 4Å; A89-L179 WeakPolarHBondContact O-CD1 3.39Å; A89-A182 HydrophobicContact CB-CB 4.46Å; A89-I186 HydrophobicContact CB-CD1 3.95Å
90V97.9Very high96.9Very high80 Ų8030.1 Ų30.149%0.48516%0.164SC..Hα-helixtrans-60.9-42.7174.6173.10000111.3F86 C87 Y88 A93 S94 A106F86-V90 WeakPolarHBondContact O-CG2 3.35Å; F86-V90 PolarHBondContact O-N 3.47Å; C87-V90 PolarHBondContact O-N 3.13Å; Y88-V90 PolarHBondContact O-N 2.91Å; V90-A93 PolarHBondContact O-N 3.41Å; V90-S94 PolarHBondContact O-N 3.08Å; V90-S94 VanDerWaalsContact O-N 3.14Å; V90-A106 HydrophobicContact CG1-CB 4.17Å
91Y98.1Very high96.8Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-60.1-47.6174.9170.2-98.6000112.7F24 S53 V57 C87 Y88 A89 A93 S94 Y95 S107 N110F24-Y91 AromaticContact CD2-CD1 3.7Å; F24-Y91 HydrophobicContact CD2-CD1 3.7Å; F24-Y91 AromaticContact CD2-CE1 3.56Å; F24-Y91 HydrophobicContact CD2-CE1 3.56Å; F24-Y91 AromaticContact CE2-CD1 3.88Å; F24-Y91 HydrophobicContact CE2-CD1 3.88Å; F24-Y91 AromaticContact CE2-CE1 3.5Å; F24-Y91 HydrophobicContact CE2-CE1 3.5Å; S53-Y91 WeakPolarHBondContact OG-CE2 3.38Å; V57-Y91 HydrophobicContact CG2-CD2 4.11Å; V57-Y91 HydrophobicContact CG2-CE2 3.74Å; C87-Y91 PolarHBondContact O-N 3.13Å; Y88-Y91 WeakPolarHBondContact O-CB 3.49Å; Y88-Y91 PolarHBondContact O-N 3.48Å; A89-Y91 VanDerWaalsContact C-N 3.33Å; A89-Y91 PolarHBondContact O-N 3.05Å; Y91-A93 VanDerWaalsContact C-N 3.32Å; Y91-A93 PolarHBondContact O-N 3.44Å; Y91-S94 WeakPolarHBondContact O-CB 3.45Å; Y91-S94 PolarHBondContact O-N 3.01Å; Y91-S94 PolarHBondContact O-OG 2.96Å; Y91-Y95 HydrophobicContact CD1-CE2 4.43Å; Y91-Y95 HydrophobicContact CD2-CE2 4.3Å; Y91-Y95 AromaticContact CE1-CE2 3.88Å; Y91-Y95 HydrophobicContact CE1-CE2 3.88Å; Y91-Y95 AromaticContact CE2-CE2 3.74Å; Y91-Y95 HydrophobicContact CE2-CE2 3.74Å; Y91-Y95 AromaticContact CZ-CE2 3.51Å; Y91-Y95 AromaticContact CZ-CZ 4Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.34Å; Y91-Y95 PolarHBondContact OH-OH 3.23Å; Y91-S107 WeakPolarHBondContact CE2-OG 3.35Å; Y91-N110 HydrophobicContact CD2-CB 4.31Å; Y91-N110 HydrophobicContact CG-CB 4.15Å
92I97.6Very high96.6Very high0 Ų040.4 Ų40.40%021%0.209CC..Hα-helixtrans-62.5-42.2178.3-65153.4000110.9A23 A27 Y88 A89 S94 Y95 Y175 L178 L179 A182A23-I92 HydrophobicContact CB-CD1 3.42Å; A23-I92 VanDerWaalsContact CB-CD1 3.42Å; A23-I92 HydrophobicContact CB-CG1 4.43Å; A27-I92 HydrophobicContact CB-CG1 4.43Å; Y88-I92 WeakPolarHBondContact O-CD1 3.28Å; Y88-I92 WeakPolarHBondContact O-CG1 3.07Å; Y88-I92 PolarHBondContact O-N 3.39Å; A89-I92 PolarHBondContact O-N 2.98Å; I92-S94 PolarHBondContact O-N 3.31Å; I92-Y95 PolarHBondContact O-N 2.96Å; I92-Y175 HydrophobicContact CG2-CD1 4.45Å; I92-L178 HydrophobicContact CG2-CB 3.95Å; I92-L179 HydrophobicContact CG2-CB 4.15Å; I92-A182 HydrophobicContact CD1-CB 3.75Å
93A97.7Very high96.6Very high37 Ų3740 Ų4031%0.30621%0.207SC..Hα-helixtrans-60.6-31.2178.200000112.7A89 V90 Y91 Y95 I96 L179A89-A93 WeakPolarHBondContact O-CB 3.49Å; A89-A93 PolarHBondContact O-N 3.25Å; V90-A93 PolarHBondContact O-N 3.41Å; Y91-A93 VanDerWaalsContact C-N 3.32Å; Y91-A93 PolarHBondContact O-N 3.44Å; A93-Y95 PolarHBondContact O-N 3.21Å; A93-I96 WeakPolarHBondContact O-CB 3.43Å; A93-I96 PolarHBondContact O-N 2.88Å; A93-I96 VanDerWaalsContact O-N 3.15Å; A93-L179 HydrophobicContact CB-CD1 4.38Å; A93-L179 HydrophobicContact CB-CD2 4.15Å
94S96.9Very high96.5Very high10 Ų1040.5 Ų40.57%0.0720%0.199CC..THydrogen-bonded Turntrans-63.7-20.6179.778.10000114.3V90 Y91 I92 P98V90-S94 PolarHBondContact O-N 3.08Å; V90-S94 VanDerWaalsContact O-N 3.14Å; Y91-S94 WeakPolarHBondContact O-CB 3.45Å; Y91-S94 PolarHBondContact O-N 3.01Å; Y91-S94 PolarHBondContact O-OG 2.96Å; I92-S94 PolarHBondContact O-N 3.31Å; S94-P98 VanDerWaalsContact O-CA 3.29Å; S94-P98 WeakPolarHBondContact O-CA 3.49Å
95Y95.7Very high96.5Very high0 Ų044.8 Ų44.80%022%0.222CC..THydrogen-bonded Turntrans-85.6-13.4177.5-75.9-94.4000114A31 L35 S53 Y91 I92 A93 L103 R171 Y175A31-Y95 HydrophobicContact CB-CE1 3.67Å; L35-Y95 HydrophobicContact CD1-CE1 3.76Å; L35-Y95 HydrophobicContact CD2-CD1 4.11Å; L35-Y95 HydrophobicContact CD2-CE1 4.17Å; L35-Y95 HydrophobicContact CG-CD1 4.31Å; L35-Y95 HydrophobicContact CG-CE1 3.97Å; S53-Y95 PolarHBondContact OG-OH 3.4Å; S53-Y95 VanDerWaalsContact OG-OH 3.11Å; Y91-Y95 HydrophobicContact CD1-CE2 4.43Å; Y91-Y95 HydrophobicContact CD2-CE2 4.3Å; Y91-Y95 AromaticContact CE1-CE2 3.88Å; Y91-Y95 HydrophobicContact CE1-CE2 3.88Å; Y91-Y95 AromaticContact CE2-CE2 3.74Å; Y91-Y95 HydrophobicContact CE2-CE2 3.74Å; Y91-Y95 AromaticContact CZ-CE2 3.51Å; Y91-Y95 AromaticContact CZ-CZ 4Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.34Å; Y91-Y95 PolarHBondContact OH-OH 3.23Å; I92-Y95 PolarHBondContact O-N 2.96Å; A93-Y95 PolarHBondContact O-N 3.21Å; Y95-L103 HydrophobicContact CD1-CD1 4.46Å; Y95-L103 HydrophobicContact CD2-CD1 4.17Å; Y95-L103 HydrophobicContact CE1-CD1 4.07Å; Y95-L103 HydrophobicContact CE2-CD1 3.75Å; Y95-R171 WeakPolarHBondContact O-CD 3.32Å; Y95-R171 WeakPolarHBondContact O-CG 3.36Å; Y95-Y175 AromaticContact CD1-CE1 3.8Å; Y95-Y175 HydrophobicContact CD1-CE1 3.8Å; Y95-Y175 HydrophobicContact CD1-CE2 4.4Å; Y95-Y175 AromaticContact CD1-CZ 3.64Å; Y95-Y175 WeakPolarHBondContact CD1-OH 3.47Å; Y95-Y175 HydrophobicContact CD2-CD1 4.43Å; Y95-Y175 HydrophobicContact CD2-CE1 4.02Å; Y95-Y175 AromaticContact CG-CD1 3.94Å; Y95-Y175 HydrophobicContact CG-CD1 3.94Å; Y95-Y175 AromaticContact CG-CE1 3.44Å; Y95-Y175 HydrophobicContact CG-CE1 3.44Å; Y95-Y175 VanDerWaalsContact CG-CE1 3.44Å; Y95-Y175 HydrophobicContact CG-CE2 4.46Å; Y95-Y175 AromaticContact CG-CZ 3.73Å
96I95.5Very high96.5Very high42 Ų4245.1 Ų45.122%0.21522%0.224CC..THydrogen-bonded Turntrans-61.8-51.3178.6-65.4175.5000109.2A93 R171 I172 L179A93-I96 WeakPolarHBondContact O-CB 3.43Å; A93-I96 PolarHBondContact O-N 2.88Å; A93-I96 VanDerWaalsContact O-N 3.15Å; I96-R171 PolarHBondContact O-NE 3.06Å; I96-I172 HydrophobicContact CG2-CB 4.47Å; I96-I172 HydrophobicContact CG2-CG1 4.01Å; I96-I172 HydrophobicContact CG2-CG2 4.31Å; I96-L179 HydrophobicContact CD1-CD2 4.07Å
97E93.6Very high96.5Very high86 Ų8640 Ų4040%0.40220%0.201SC..SBendtrans-13388.8171.9-169.661.2-162.700109.7R42 F99 R171R42-E97 IonicContact CZ-OE1 3.23Å; R42-E97 IonicContact NH2-OE1 3.83Å; R42-E97 PolarHBondContact NH2-OE1 2.95Å; E97-F99 HydrophobicContact CG-CE2 4.07Å; E97-F99 HydrophobicContact CG-CZ 4.36Å; E97-F99 PolarHBondContact O-N 3.24Å; E97-R171 IonicContact OE2-CZ 3.89Å; E97-R171 IonicContact OE2-NH2 2.83Å; E97-R171 PolarHBondContact OE2-NH2 2.84Å
98P94Very high96.5Very high0 Ų042.9 Ų42.90%021%0.212CC..  trans-75127.8-170.128.5-33.6000111.8L35 V38 R42 F46 S94L35-P98 HydrophobicContact CD2-CB 3.88Å; L35-P98 HydrophobicContact CD2-CG 4.01Å; V38-P98 HydrophobicContact CB-CG 4.41Å; V38-P98 HydrophobicContact CG1-CG 4.01Å; V38-P98 HydrophobicContact CG2-CG 3.75Å; R42-P98 PolarHBondContact NH1-O 3.19Å; R42-P98 PolarHBondContact NH2-O 3.49Å; F46-P98 HydrophobicContact CE2-CB 4.12Å; F46-P98 HydrophobicContact CZ-CB 4Å; F46-P98 HydrophobicContact CZ-CG 4.42Å; S94-P98 VanDerWaalsContact O-CA 3.29Å; S94-P98 WeakPolarHBondContact O-CA 3.49Å
99F94.1Very high96.6Very high102 Ų10245 Ų4545%0.44723%0.225SC..  trans-116139.1161.8-62.8-83.3000107.7E97 W101 S102 L103E97-F99 HydrophobicContact CG-CE2 4.07Å; E97-F99 HydrophobicContact CG-CZ 4.36Å; E97-F99 PolarHBondContact O-N 3.24Å; F99-W101 PolarHBondContact O-N 3.31Å; F99-S102 PolarHBondContact O-N 3.27Å; F99-S102 VanDerWaalsContact O-N 3.1Å; F99-L103 VanDerWaalsContact O-CB 3.31Å; F99-L103 WeakPolarHBondContact O-CB 3.4Å; F99-L103 PolarHBondContact O-N 2.8Å
100E93.2Very high96.6Very high72 Ų7244.5 Ų44.534%0.33622%0.22SC..Hα-helixtrans-53.5-52.3-173-64.6174-168.300112.7F46 D47 S102 L103 Y104F46-E100 VanDerWaalsContact CA-OE1 3.29Å; F46-E100 WeakPolarHBondContact CA-OE1 3.24Å; F46-E100 HydrophobicContact CD2-CG 3.65Å; F46-E100 HydrophobicContact CE2-CG 3.71Å; D47-E100 PolarHBondContact N-OE1 2.95Å; E100-S102 VanDerWaalsContact C-N 3.32Å; E100-S102 PolarHBondContact O-N 3.15Å; E100-L103 PolarHBondContact O-N 2.91Å; E100-Y104 WeakPolarHBondContact O-CD2 3.48Å; E100-Y104 PolarHBondContact O-N 3.44Å
101W94.1Very high96.6Very high178 Ų17840.7 Ų40.767%0.67420%0.197SC*.Hα-helixtrans-61.9-40.1-179.874.3-93.5000112F99 L105F99-W101 PolarHBondContact O-N 3.31Å; W101-L105 HydrophobicContact CE3-CD2 4.36Å; W101-L105 HydrophobicContact CZ3-CD2 4Å; W101-L105 WeakPolarHBondContact O-CB 3.35Å; W101-L105 PolarHBondContact O-N 2.91Å
102S95.1Very high96.6Very high38 Ų3843.3 Ų43.327%0.26621%0.211SC..Hα-helixtrans-73.4-38.8-177.6-176.60000111.3F99 E100 A106F99-S102 PolarHBondContact O-N 3.27Å; F99-S102 VanDerWaalsContact O-N 3.1Å; E100-S102 VanDerWaalsContact C-N 3.32Å; E100-S102 PolarHBondContact O-N 3.15Å; S102-A106 WeakPolarHBondContact O-CB 3.26Å; S102-A106 PolarHBondContact O-N 3.03Å
103L96.8Very high96.6Very high0 Ų043.4 Ų43.40%021%0.212CC..Hα-helixtrans-59.8-53.5175.217666.6000109.3L35 F46 Y95 F99 E100 L105 A106 S107L35-L103 HydrophobicContact CD1-CD2 3.63Å; L35-L103 HydrophobicContact CD2-CD2 4.24Å; F46-L103 HydrophobicContact CZ-CD2 4.3Å; Y95-L103 HydrophobicContact CD1-CD1 4.46Å; Y95-L103 HydrophobicContact CD2-CD1 4.17Å; Y95-L103 HydrophobicContact CE1-CD1 4.07Å; Y95-L103 HydrophobicContact CE2-CD1 3.75Å; F99-L103 VanDerWaalsContact O-CB 3.31Å; F99-L103 WeakPolarHBondContact O-CB 3.4Å; F99-L103 PolarHBondContact O-N 2.8Å; E100-L103 PolarHBondContact O-N 2.91Å; L103-L105 PolarHBondContact O-N 3.28Å; L103-A106 PolarHBondContact O-N 3.35Å; L103-S107 PolarHBondContact O-N 2.88Å; L103-S107 PolarHBondContact O-OG 2.91Å
104Y97.5Very high96.7Very high55 Ų5541.6 Ų41.622%0.21620%0.197CC..Hα-helixtrans-68.6-34.9-178-64.6-25.2000113.6G48 T49 T52 I56 E100 S107 F108G48-Y104 WeakPolarHBondContact CA-OH 3.23Å; T49-Y104 PolarHBondContact N-OH 3.07Å; T52-Y104 WeakPolarHBondContact CB-OH 3.39Å; T52-Y104 HydrophobicContact CG2-CD1 4.33Å; T52-Y104 HydrophobicContact CG2-CE1 3.61Å; T52-Y104 HydrophobicContact CG2-CE2 4.28Å; T52-Y104 WeakPolarHBondContact CG2-OH 3.47Å; I56-Y104 HydrophobicContact CD1-CD1 3.6Å; I56-Y104 HydrophobicContact CD1-CD2 4.41Å; I56-Y104 HydrophobicContact CD1-CE1 4.3Å; I56-Y104 HydrophobicContact CD1-CG 3.64Å; E100-Y104 WeakPolarHBondContact O-CD2 3.48Å; E100-Y104 PolarHBondContact O-N 3.44Å; Y104-S107 WeakPolarHBondContact O-CB 3.5Å; Y104-S107 PolarHBondContact O-N 3.22Å; Y104-F108 PolarHBondContact O-N 3.4Å
105L98.1Very high96.7Very high93 Ų9341.1 Ų41.149%0.48719%0.194SC..Hα-helixtrans-64.1-45.9171.8179.961.6000111.4W101 L103 S107 F108 V109W101-L105 HydrophobicContact CE3-CD2 4.36Å; W101-L105 HydrophobicContact CZ3-CD2 4Å; W101-L105 WeakPolarHBondContact O-CB 3.35Å; W101-L105 PolarHBondContact O-N 2.91Å; L103-L105 PolarHBondContact O-N 3.28Å; L105-S107 VanDerWaalsContact C-N 3.29Å; L105-S107 PolarHBondContact O-N 3.21Å; L105-F108 PolarHBondContact O-N 3.43Å; L105-V109 HydrophobicContact CD1-CG2 4.38Å; L105-V109 WeakPolarHBondContact O-CG2 3.35Å; L105-V109 PolarHBondContact O-N 3Å
106A98.2Very high96.8Very high6 Ų641.9 Ų41.95%0.0520%0.198CC..Hα-helixtrans-63.4-36.6177.600000111.6V90 S102 L103 N110V90-A106 HydrophobicContact CG1-CB 4.17Å; S102-A106 WeakPolarHBondContact O-CB 3.26Å; S102-A106 PolarHBondContact O-N 3.03Å; L103-A106 PolarHBondContact O-N 3.35Å; A106-N110 WeakPolarHBondContact O-CB 3.24Å; A106-N110 PolarHBondContact O-N 3.41Å
107S98.3Very high96.9Very high0 Ų039.9 Ų39.90%019%0.188CC..Hα-helixtrans-60.6-47.3171.7-62.20000112.4S53 V57 Y91 L103 Y104 L105 N110 G111S53-S107 WeakPolarHBondContact O-CB 2.99Å; S53-S107 PolarHBondContact O-OG 3.44Å; S53-S107 PolarHBondContact OG-OG 3.36Å; V57-S107 WeakPolarHBondContact CA-O 3.43Å; V57-S107 WeakPolarHBondContact CG2-O 3.47Å; Y91-S107 WeakPolarHBondContact CE2-OG 3.35Å; L103-S107 PolarHBondContact O-N 2.88Å; L103-S107 PolarHBondContact O-OG 2.91Å; Y104-S107 WeakPolarHBondContact O-CB 3.5Å; Y104-S107 PolarHBondContact O-N 3.22Å; L105-S107 VanDerWaalsContact C-N 3.29Å; L105-S107 PolarHBondContact O-N 3.21Å; S107-N110 PolarHBondContact O-N 3Å; S107-G111 PolarHBondContact O-N 2.71Å
108F98.6Very high97Very high86 Ų8636.6 Ų36.638%0.37717%0.172SC..Hα-helixtrans-61.5-48.1178.3178.3-98.2000111.6I56 S60 F64 Y104 L105 N110 G111 I112I56-F108 HydrophobicContact CG2-CB 3.8Å; S60-F108 PolarHBondContact OG-O 2.96Å; F64-F108 HydrophobicContact CE2-CE1 4.29Å; F64-F108 AromaticContact CE2-CE2 3.82Å; F64-F108 HydrophobicContact CE2-CE2 3.82Å; F64-F108 AromaticContact CE2-CZ 3.52Å; F64-F108 HydrophobicContact CE2-CZ 3.52Å; F64-F108 HydrophobicContact CZ-CE1 4.43Å; F64-F108 HydrophobicContact CZ-CE2 4.45Å; F64-F108 AromaticContact CZ-CZ 3.76Å; F64-F108 HydrophobicContact CZ-CZ 3.76Å; Y104-F108 PolarHBondContact O-N 3.4Å; L105-F108 PolarHBondContact O-N 3.43Å; F108-N110 VanDerWaalsContact C-N 3.32Å; F108-N110 PolarHBondContact O-N 3.27Å; F108-G111 PolarHBondContact O-N 2.96Å; F108-I112 HydrophobicContact CD1-CD1 4.15Å; F108-I112 HydrophobicContact CE1-CD1 3.72Å; F108-I112 HydrophobicContact CZ-CD1 4.36Å; F108-I112 PolarHBondContact O-N 3.46Å
109V98.5Very high97Very high49 Ų4936.6 Ų36.630%0.29717%0.172SC..Hα-helixtrans-60.7-41.3177.1171.30000111.2C87 L105 G111 I112 G113C87-V109 HydrophobicContact CB-CG1 4.17Å; L105-V109 HydrophobicContact CD1-CG2 4.38Å; L105-V109 WeakPolarHBondContact O-CG2 3.35Å; L105-V109 PolarHBondContact O-N 3Å; V109-G111 VanDerWaalsContact C-N 3.35Å; V109-G111 PolarHBondContact O-N 3.45Å; V109-I112 WeakPolarHBondContact O-CB 3.22Å; V109-I112 PolarHBondContact O-N 2.92Å; V109-G113 PolarHBondContact O-N 3.12Å
110N98.5Very high97Very high0 Ų031.7 Ų31.70%015%0.151CC..Hα-helixtrans-62.6-39.5176.7-174.642.3000112.8F24 V57 Y88 Y91 A106 S107 F108 I112 G113 A114F24-N110 WeakPolarHBondContact CE2-ND2 3.45Å; V57-N110 HydrophobicContact CG2-CB 4.42Å; Y88-N110 WeakPolarHBondContact CA-OD1 3.31Å; Y88-N110 VanDerWaalsContact CD1-OD1 3.27Å; Y88-N110 WeakPolarHBondContact CD1-OD1 3.43Å; Y88-N110 WeakPolarHBondContact CD2-OD1 3.31Å; Y88-N110 PolarHBondContact N-OD1 2.92Å; Y91-N110 HydrophobicContact CD2-CB 4.31Å; Y91-N110 HydrophobicContact CG-CB 4.15Å; A106-N110 WeakPolarHBondContact O-CB 3.24Å; A106-N110 PolarHBondContact O-N 3.41Å; S107-N110 PolarHBondContact O-N 3Å; F108-N110 VanDerWaalsContact C-N 3.32Å; F108-N110 PolarHBondContact O-N 3.27Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-I112 PolarHBondContact O-N 3.42Å; N110-G113 CarbonylContact O-C 3.32Å; N110-G113 PolarHBondContact O-N 3.07Å; N110-G113 VanDerWaalsContact O-N 3.14Å; N110-A114 WeakPolarHBondContact O-CB 3.31Å; N110-A114 PolarHBondContact O-N 2.83Å
111G98.5Very high97.1Very high0 Ų028.5 Ų28.50%014%0.136CC..Hα-helixtrans-64.6-34.4175.100000113.3V57 S60 F61 S107 F108 V109 A114 A115V57-G111 VanDerWaalsContact O-CA 3.29Å; V57-G111 WeakPolarHBondContact O-CA 3.39Å; S60-G111 VanDerWaalsContact OG-CA 3.23Å; S60-G111 WeakPolarHBondContact OG-CA 3.37Å; F61-G111 WeakPolarHBondContact CA-O 3.44Å; S107-G111 PolarHBondContact O-N 2.71Å; F108-G111 PolarHBondContact O-N 2.96Å; V109-G111 VanDerWaalsContact C-N 3.35Å; V109-G111 PolarHBondContact O-N 3.45Å; G111-A114 PolarHBondContact O-N 3.4Å; G111-A115 PolarHBondContact O-N 3.48Å
112I98.4Very high97Very high55 Ų5520 Ų2028%0.28210%0.103SC..Hα-helixtrans-59.3-49169.6-60.5169.4000110.2F64 F108 V109 N110 A114 A115 V116F64-I112 HydrophobicContact CD1-CG1 4.15Å; F64-I112 HydrophobicContact CD2-CB 4.41Å; F64-I112 HydrophobicContact CD2-CD1 4.34Å; F64-I112 HydrophobicContact CD2-CG1 3.41Å; F64-I112 VanDerWaalsContact CD2-CG1 3.41Å; F64-I112 HydrophobicContact CE1-CD1 4.38Å; F64-I112 HydrophobicContact CE1-CG1 4.22Å; F64-I112 HydrophobicContact CE2-CD1 3.97Å; F64-I112 HydrophobicContact CE2-CG1 3.51Å; F64-I112 HydrophobicContact CG-CB 4.43Å; F64-I112 HydrophobicContact CG-CG1 3.76Å; F64-I112 HydrophobicContact CZ-CD1 3.98Å; F64-I112 HydrophobicContact CZ-CG1 3.92Å; F108-I112 HydrophobicContact CD1-CD1 4.15Å; F108-I112 HydrophobicContact CE1-CD1 3.72Å; F108-I112 HydrophobicContact CZ-CD1 4.36Å; F108-I112 PolarHBondContact O-N 3.46Å; V109-I112 WeakPolarHBondContact O-CB 3.22Å; V109-I112 PolarHBondContact O-N 2.92Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-I112 PolarHBondContact O-N 3.42Å; I112-A114 VanDerWaalsContact C-N 3.35Å; I112-A114 PolarHBondContact O-N 2.9Å; I112-A115 WeakPolarHBondContact O-CB 3.29Å; I112-A115 PolarHBondContact O-N 3.08Å; I112-V116 PolarHBondContact O-N 3.29Å
113G98.3Very high96.7Very high2 Ų218.3 Ų18.32%0.0219%0.092CC..Hα-helixtrans-61.8-40.8178.500000113.2G84 V109 N110 A115 V116 L117G84-G113 WeakPolarHBondContact CA-O 3.39Å; V109-G113 PolarHBondContact O-N 3.12Å; N110-G113 CarbonylContact O-C 3.32Å; N110-G113 PolarHBondContact O-N 3.07Å; N110-G113 VanDerWaalsContact O-N 3.14Å; G113-A115 PolarHBondContact O-N 3.09Å; G113-V116 PolarHBondContact O-N 2.73Å; G113-L117 WeakPolarHBondContact O-CB 3.45Å; G113-L117 PolarHBondContact O-N 3.44Å
114A98.3Very high96.5Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-61.4-42.1176.500000111.8F61 Y88 N110 G111 I112 V116 L117 W118F61-A114 HydrophobicContact CB-CB 4.24Å; F61-A114 HydrophobicContact CD1-CB 3.86Å; F61-A114 HydrophobicContact CD2-CB 3.89Å; F61-A114 HydrophobicContact CE1-CB 4.17Å; F61-A114 HydrophobicContact CE2-CB 4.2Å; F61-A114 WeakPolarHBondContact CE2-O 3.19Å; F61-A114 HydrophobicContact CG-CB 3.74Å; F61-A114 HydrophobicContact CZ-CB 4.35Å; Y88-A114 HydrophobicContact CE2-CB 4.07Å; Y88-A114 VanDerWaalsContact OH-CB 3.29Å; Y88-A114 WeakPolarHBondContact OH-CB 3.38Å; N110-A114 WeakPolarHBondContact O-CB 3.31Å; N110-A114 PolarHBondContact O-N 2.83Å; G111-A114 PolarHBondContact O-N 3.4Å; I112-A114 VanDerWaalsContact C-N 3.35Å; I112-A114 PolarHBondContact O-N 2.9Å; A114-V116 PolarHBondContact O-N 2.93Å; A114-L117 PolarHBondContact O-N 2.61Å; A114-W118 WeakPolarHBondContact O-CB 3.44Å; A114-W118 VanDerWaalsContact O-CD1 3.32Å; A114-W118 PolarHBondContact O-N 3.19Å
115A98Very high96.2Very high0 Ų015.9 Ų15.90%08%0.082CC..Hα-helixtrans-55.7-50.5176.400000111.9F61 F64 N65 A68 G111 I112 G113 T119F61-A115 HydrophobicContact CD2-CB 3.87Å; F61-A115 VanDerWaalsContact CD2-N 3.26Å; F61-A115 VanDerWaalsContact CE2-CA 3.49Å; F61-A115 HydrophobicContact CE2-CB 4.38Å; F64-A115 HydrophobicContact CB-CB 3.86Å; N65-A115 PolarHBondContact OD1-O 2.85Å; A68-A115 HydrophobicContact CB-CB 4.29Å; A68-A115 WeakPolarHBondContact CB-O 3.49Å; G111-A115 PolarHBondContact O-N 3.48Å; I112-A115 WeakPolarHBondContact O-CB 3.29Å; I112-A115 PolarHBondContact O-N 3.08Å; G113-A115 PolarHBondContact O-N 3.09Å; A115-T119 VanDerWaalsContact O-CB 3.23Å; A115-T119 WeakPolarHBondContact O-CB 3.22Å; A115-T119 PolarHBondContact O-N 3.22Å; A115-T119 PolarHBondContact O-OG1 2.84Å
116V97Very high95.8Very high15 Ų1512 Ų129%0.0916%0.063CC..Hα-helixtrans-69.1-45.9-179.2177.10000111V71 I112 G113 A114 A120V71-V116 HydrophobicContact CB-CG1 4.29Å; V71-V116 HydrophobicContact CB-CG2 4.03Å; V71-V116 HydrophobicContact CG1-CB 4.46Å; V71-V116 HydrophobicContact CG1-CG1 3.64Å; V71-V116 HydrophobicContact CG1-CG2 3.89Å; V71-V116 HydrophobicContact CG2-CG2 4.14Å; I112-V116 PolarHBondContact O-N 3.29Å; G113-V116 PolarHBondContact O-N 2.73Å; A114-V116 PolarHBondContact O-N 2.93Å; V116-A120 WeakPolarHBondContact O-CB 3.36Å; V116-A120 PolarHBondContact O-N 3.36Å
117L98.1Very high95.3Very high0 Ų013.5 Ų13.50%07%0.07CC..Hα-helixtrans-62.9-49.4-176.6177.5146.4000112.6F17 L20 F21 Y88 G113 A114 A120 Q121F17-L117 HydrophobicContact CD1-CD2 4.44Å; F17-L117 HydrophobicContact CE1-CD2 3.37Å; F17-L117 HydrophobicContact CE1-CG 4.3Å; F17-L117 HydrophobicContact CE2-CD2 4.41Å; F17-L117 HydrophobicContact CZ-CD1 4.36Å; F17-L117 HydrophobicContact CZ-CD2 3.34Å; F17-L117 HydrophobicContact CZ-CG 3.77Å; L20-L117 HydrophobicContact CD2-CD1 3.69Å; F21-L117 HydrophobicContact CE2-CD2 4.21Å; F21-L117 HydrophobicContact CZ-CD2 4.23Å; Y88-L117 HydrophobicContact CD2-CD1 4.13Å; Y88-L117 HydrophobicContact CE2-CD1 4.02Å; Y88-L117 HydrophobicContact CE2-CD2 4.28Å; G113-L117 WeakPolarHBondContact O-CB 3.45Å; G113-L117 PolarHBondContact O-N 3.44Å; A114-L117 PolarHBondContact O-N 2.61Å; L117-A120 PolarHBondContact O-N 3.06Å; L117-Q121 VanDerWaalsContact O-CB 3.3Å; L117-Q121 WeakPolarHBondContact O-CB 3.45Å; L117-Q121 PolarHBondContact O-N 3.04Å
118W96.5Very high94.9Very high17 Ų1713.5 Ų13.56%0.0647%0.07CC..Hα-helixtrans-72-36.1-177.7-78.7106.1000112.8F17 F21 F61 Y88 A114 Q121 G122 F141 W142 F145 K404F17-W118 HydrophobicContact CD1-CH2 4.3Å; F17-W118 HydrophobicContact CE1-CE3 4.32Å; F17-W118 HydrophobicContact CE1-CH2 4.32Å; F17-W118 HydrophobicContact CE1-CZ3 4.21Å; F21-W118 HydrophobicContact CD1-CZ2 4.48Å; F21-W118 AromaticContact CE1-CZ2 3.61Å; F21-W118 HydrophobicContact CE1-CZ2 3.61Å; F21-W118 AromaticContact CE1-NE1 4Å; F21-W118 AromaticContact CE2-CZ2 3.9Å; F21-W118 HydrophobicContact CE2-CZ2 3.9Å; F21-W118 AromaticContact CZ-CE2 3.54Å; F21-W118 HydrophobicContact CZ-CH2 4.32Å; F21-W118 AromaticContact CZ-CZ2 3.27Å; F21-W118 HydrophobicContact CZ-CZ2 3.27Å; F21-W118 AromaticContact CZ-NE1 3.48Å; F61-W118 AromaticContact CE1-CD1 3.99Å; F61-W118 HydrophobicContact CE2-CB 4.34Å; F61-W118 HydrophobicContact CZ-CB 4.02Å; F61-W118 AromaticContact CZ-CD1 3.52Å; F61-W118 AromaticContact CZ-CG 3.93Å; F61-W118 HydrophobicContact CZ-CG 3.93Å; Y88-W118 PolarHBondContact OH-NE1 2.68Å; A114-W118 WeakPolarHBondContact O-CB 3.44Å; A114-W118 VanDerWaalsContact O-CD1 3.32Å; A114-W118 PolarHBondContact O-N 3.19Å; W118-Q121 PolarHBondContact O-N 3.26Å; W118-G122 PolarHBondContact O-N 3.01Å; W118-G122 VanDerWaalsContact O-N 3.1Å; W118-F141 HydrophobicContact CZ3-CE1 4.3Å; W118-F141 HydrophobicContact CZ3-CZ 4.33Å; W118-W142 HydrophobicContact CH2-CH2 4.3Å; W118-W142 HydrophobicContact CH2-CZ3 4.24Å; W118-W142 HydrophobicContact CZ3-CH2 4.24Å; W118-W142 AromaticContact CZ3-CZ3 3.84Å; W118-W142 HydrophobicContact CZ3-CZ3 3.84Å; W118-F145 HydrophobicContact CH2-CD1 4.35Å; W118-F145 AromaticContact CH2-CE1 3.66Å; W118-F145 HydrophobicContact CH2-CE1 3.66Å; W118-F145 HydrophobicContact CH2-CE2 4.44Å; W118-F145 AromaticContact CH2-CZ 3.71Å; W118-F145 HydrophobicContact CH2-CZ 3.71Å; W118-F145 HydrophobicContact CZ2-CE1 4.45Å; W118-F145 HydrophobicContact CZ2-CZ 4.07Å; W118-K404 HydrophobicContact CB-CD 4.39Å; W118-K404 HydrophobicContact CB-CG 4.16Å
119T93.2Very high94.4Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-64.4-45.4173.8-62.50000110.9N65 A68 P69 V72 A115 G122 A123 T397 A401N65-T119 PolarHBondContact OD1-OG1 3.42Å; A68-T119 HydrophobicContact CB-CG2 4.05Å; A68-T119 WeakPolarHBondContact CB-OG1 3.46Å; P69-T119 HydrophobicContact CG-CG2 4.45Å; V72-T119 HydrophobicContact CG2-CG2 4.14Å; A115-T119 VanDerWaalsContact O-CB 3.23Å; A115-T119 WeakPolarHBondContact O-CB 3.22Å; A115-T119 PolarHBondContact O-N 3.22Å; A115-T119 PolarHBondContact O-OG1 2.84Å; T119-G122 PolarHBondContact O-N 2.94Å; T119-A123 PolarHBondContact O-N 2.56Å; T119-T397 HydrophobicContact CG2-CG2 3.37Å; T119-A401 HydrophobicContact CG2-CB 4.19Å
120A94Very high93.7Very high0 Ų011 Ų110%06%0.063CC..Hα-helixtrans-62.4-42.8176.800000112.2V72 E77 M81 V116 L117 A123 F124V72-A120 HydrophobicContact CG1-CB 4.5Å; V72-A120 HydrophobicContact CG2-CB 3.81Å; E77-A120 HydrophobicContact CB-CB 4.42Å; M81-A120 HydrophobicContact CG-CB 3.72Å; V116-A120 WeakPolarHBondContact O-CB 3.36Å; V116-A120 PolarHBondContact O-N 3.36Å; L117-A120 PolarHBondContact O-N 3.06Å; A120-A123 PolarHBondContact O-N 3.35Å; A120-F124 VanDerWaalsContact O-CB 3.25Å; A120-F124 WeakPolarHBondContact O-CB 3.19Å; A120-F124 PolarHBondContact O-N 3.04Å
121Q94.9Very high92.7Very high5 Ų517 Ų172%0.0239%0.088CC..Hα-helixtrans-62.7-45.3179.5178-81.8-4300112T13 F17 M81 L117 W118 A123 F124 I125 F141T13-Q121 HydrophobicContact CG2-CG 4.24Å; F17-Q121 HydrophobicContact CE1-CB 4.11Å; F17-Q121 HydrophobicContact CE1-CG 3.81Å; F17-Q121 HydrophobicContact CE2-CB 4.46Å; F17-Q121 HydrophobicContact CE2-CG 4.25Å; F17-Q121 HydrophobicContact CZ-CB 3.64Å; F17-Q121 HydrophobicContact CZ-CG 3.61Å; M81-Q121 HydrophobicContact SD-CB 3.99Å; L117-Q121 VanDerWaalsContact O-CB 3.3Å; L117-Q121 WeakPolarHBondContact O-CB 3.45Å; L117-Q121 PolarHBondContact O-N 3.04Å; W118-Q121 PolarHBondContact O-N 3.26Å; Q121-A123 PolarHBondContact O-N 2.99Å; Q121-F124 PolarHBondContact O-N 2.91Å; Q121-I125 PolarHBondContact O-N 3.38Å; Q121-F141 VanDerWaalsContact CD-CZ 3.5Å; Q121-F141 HydrophobicContact CG-CE1 4.21Å; Q121-F141 HydrophobicContact CG-CE2 3.93Å; Q121-F141 HydrophobicContact CG-CZ 3.64Å
122G91.2Very high91.8Very high0 Ų021.8 Ų21.80%012%0.122CC..Hα-helixtrans-60.9-43.6177.300000112.6W118 T119 T126W118-G122 PolarHBondContact O-N 3.01Å; W118-G122 VanDerWaalsContact O-N 3.1Å; T119-G122 PolarHBondContact O-N 2.94Å; G122-T126 WeakPolarHBondContact O-CB 3.46Å; G122-T126 PolarHBondContact O-N 3.46Å; G122-T126 VanDerWaalsContact O-N 3.17Å; G122-T126 PolarHBondContact O-OG1 2.96Å
123A89.8Confident91.1Very high2 Ų220.8 Ų20.82%0.01712%0.117CC..Hα-helixtrans-63.5-47.1174.400000111.7E77 T119 A120 Q121 I125 T126 D127E77-A123 HydrophobicContact CG-CB 4.18Å; T119-A123 PolarHBondContact O-N 2.56Å; A120-A123 PolarHBondContact O-N 3.35Å; Q121-A123 PolarHBondContact O-N 2.99Å; A123-I125 PolarHBondContact O-N 2.91Å; A123-T126 WeakPolarHBondContact O-CB 3.45Å; A123-T126 PolarHBondContact O-N 3.3Å; A123-T126 VanDerWaalsContact O-N 3.14Å; A123-D127 PolarHBondContact O-N 3.38Å
124F92.8Very high90.4Very high3 Ų321 Ų211%0.01312%0.118CC..Hα-helixtrans-60.8-43.7-177.9-173.7-103.5000113.4N9 T13 E77 M81 A120 Q121 T126 D127 C128 L192 P195N9-F124 HydrophobicContact CB-CE1 3.8Å; N9-F124 HydrophobicContact CB-CZ 3.82Å; T13-F124 VanDerWaalsContact OG1-CE1 3.27Å; T13-F124 WeakPolarHBondContact OG1-CE1 3.41Å; E77-F124 HydrophobicContact CB-CB 3.85Å; E77-F124 HydrophobicContact CB-CD2 3.86Å; E77-F124 HydrophobicContact CB-CG 4.3Å; E77-F124 HydrophobicContact CG-CB 4.15Å; E77-F124 HydrophobicContact CG-CD2 4.43Å; M81-F124 HydrophobicContact CE-CB 4.13Å; M81-F124 HydrophobicContact CE-CD1 4.03Å; M81-F124 HydrophobicContact CE-CD2 4.14Å; M81-F124 HydrophobicContact CE-CE1 4.48Å; M81-F124 HydrophobicContact CE-CG 3.84Å; A120-F124 VanDerWaalsContact O-CB 3.25Å; A120-F124 WeakPolarHBondContact O-CB 3.19Å; A120-F124 PolarHBondContact O-N 3.04Å; Q121-F124 PolarHBondContact O-N 2.91Å; F124-T126 VanDerWaalsContact C-N 3.34Å; F124-D127 PolarHBondContact O-N 3.37Å; F124-C128 PolarHBondContact O-N 3.01Å; F124-C128 PolarHBondContact O-SG 3.48Å; F124-L192 HydrophobicContact CE1-CD1 4.41Å; F124-L192 HydrophobicContact CE1-CD2 4.08Å; F124-L192 HydrophobicContact CZ-CB 4.38Å; F124-L192 HydrophobicContact CZ-CD1 4.34Å; F124-L192 HydrophobicContact CZ-CD2 4.09Å; F124-P195 HydrophobicContact CD2-CG 3.72Å; F124-P195 HydrophobicContact CE2-CG 3.53Å; F124-P195 HydrophobicContact CZ-CG 4.26Å
125I92Very high89.6Confident0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-67.4-39.5176.4-66.6-160.4000110.8Q121 A123 D127 C128 S129 H137 F138 F141Q121-I125 PolarHBondContact O-N 3.38Å; A123-I125 PolarHBondContact O-N 2.91Å; I125-D127 VanDerWaalsContact C-N 3.31Å; I125-D127 PolarHBondContact O-N 3.37Å; I125-C128 PolarHBondContact O-N 3.41Å; I125-S129 WeakPolarHBondContact O-CB 3.35Å; I125-S129 PolarHBondContact O-N 2.87Å; I125-S129 PolarHBondContact O-OG 2.63Å; I125-H137 HydrophobicContact CG2-CB 3.92Å; I125-F138 HydrophobicContact CB-CD1 4.45Å; I125-F138 HydrophobicContact CB-CE1 3.99Å; I125-F138 HydrophobicContact CB-CE2 4.48Å; I125-F138 HydrophobicContact CB-CZ 3.99Å; I125-F138 HydrophobicContact CD1-CD1 4.4Å; I125-F138 HydrophobicContact CD1-CE1 4.49Å; I125-F138 HydrophobicContact CG2-CD1 3.96Å; I125-F138 HydrophobicContact CG2-CD2 3.94Å; I125-F138 HydrophobicContact CG2-CE1 3.91Å; I125-F138 HydrophobicContact CG2-CE2 3.89Å; I125-F138 HydrophobicContact CG2-CG 3.96Å; I125-F138 HydrophobicContact CG2-CZ 3.86Å; I125-F141 HydrophobicContact CD1-CB 3.24Å; I125-F141 HydrophobicContact CD1-CD1 3.73Å; I125-F141 HydrophobicContact CD1-CD2 3.7Å; I125-F141 HydrophobicContact CD1-CE2 4.5Å; I125-F141 HydrophobicContact CD1-CG 3.25Å
126T88.9Confident89Confident13 Ų1326.4 Ų26.48%0.0815%0.145CC..Hα-helixtrans-60.8-43.5175.6-55.30000110.8G122 A123 F124 C128 S129 L134 V396G122-T126 WeakPolarHBondContact O-CB 3.46Å; G122-T126 PolarHBondContact O-N 3.46Å; G122-T126 VanDerWaalsContact O-N 3.17Å; G122-T126 PolarHBondContact O-OG1 2.96Å; A123-T126 WeakPolarHBondContact O-CB 3.45Å; A123-T126 PolarHBondContact O-N 3.3Å; A123-T126 VanDerWaalsContact O-N 3.14Å; F124-T126 VanDerWaalsContact C-N 3.34Å; T126-C128 VanDerWaalsContact C-N 3.28Å; T126-C128 PolarHBondContact O-N 2.99Å; T126-S129 WeakPolarHBondContact O-CA 3.42Å; T126-S129 WeakPolarHBondContact O-CB 3.28Å; T126-S129 PolarHBondContact O-N 3.09Å; T126-L134 HydrophobicContact CG2-CD1 4.17Å; T126-V396 HydrophobicContact CG2-CG2 4.13Å
127D88.2Confident88.6Confident37 Ų3726.2 Ų26.220%0.19814%0.143CC..Hα-helixtrans-65.8-28177.2-8517.8000113.4A123 F124 I125 P195 K197A123-D127 PolarHBondContact O-N 3.38Å; F124-D127 PolarHBondContact O-N 3.37Å; I125-D127 VanDerWaalsContact C-N 3.31Å; I125-D127 PolarHBondContact O-N 3.37Å; D127-P195 HydrophobicContact CB-CB 3.98Å; D127-P195 HydrophobicContact CB-CG 4.01Å; D127-K197 VanDerWaalsContact OD2-CE 3.31Å; D127-K197 WeakPolarHBondContact OD2-CE 3.12Å
128C89.9Confident88Confident0 Ų026.4 Ų26.40%014%0.144CC..THydrogen-bonded Turntrans-79.4-6.4171.2-73.60000113N6 V10 F124 I125 T126 H137N6-C128 HydrophobicContact CB-CB 4.06Å; N6-C128 VanDerWaalsContact CB-O 3.22Å; N6-C128 WeakPolarHBondContact CB-O 3.49Å; N6-C128 VanDerWaalsContact CG-O 3.29Å; N6-C128 PolarHBondContact ND2-O 3.49Å; V10-C128 HydrophobicContact CG2-CB 4.01Å; F124-C128 PolarHBondContact O-N 3.01Å; F124-C128 PolarHBondContact O-SG 3.48Å; I125-C128 PolarHBondContact O-N 3.41Å; T126-C128 VanDerWaalsContact C-N 3.28Å; T126-C128 PolarHBondContact O-N 2.99Å; C128-H137 PolarHBondContact O-CE1 2.88Å; C128-H137 PolarHBondContact O-ND1 2.67Å
129S87.2Confident87.5Confident21 Ų2126.2 Ų26.215%0.14715%0.145CC..  trans-113.6156.1-170.3-56.70000113.1I125 T126 N133 H137I125-S129 WeakPolarHBondContact O-CB 3.35Å; I125-S129 PolarHBondContact O-N 2.87Å; I125-S129 PolarHBondContact O-OG 2.63Å; T126-S129 WeakPolarHBondContact O-CA 3.42Å; T126-S129 WeakPolarHBondContact O-CB 3.28Å; T126-S129 PolarHBondContact O-N 3.09Å; S129-N133 VanDerWaalsContact CA-OD1 3.31Å; S129-N133 WeakPolarHBondContact CA-OD1 3.22Å; S129-N133 WeakPolarHBondContact CB-OD1 3.21Å; S129-H137 WeakPolarHBondContact OG-CB 3.38Å; S129-H137 PolarHBondContact OG-ND1 2.98Å
130T84.2Confident87.3Confident62 Ų6229.3 Ų29.338%0.3816%0.161SC..  trans-106.7165.2162.567.40000108.5S132 N133 L134T130-S132 PolarHBondContact O-N 2.57Å; T130-S132 PolarHBondContact OG1-OG 3.21Å; T130-S132 VanDerWaalsContact OG1-OG 3.09Å; T130-N133 PolarHBondContact N-OD1 3.31Å; T130-N133 PolarHBondContact O-N 3.42Å; T130-N133 VanDerWaalsContact O-N 3.12Å; T130-N133 PolarHBondContact O-OD1 3.44Å; T130-N133 VanDerWaalsContact O-OD1 3.08Å; T130-N133 PolarHBondContact OG1-OD1 3.3Å; T130-L134 WeakPolarHBondContact O-CB 3.36Å; T130-L134 PolarHBondContact O-N 3.2Å
131K77.6Confident87.2Confident124 Ų12429.3 Ų29.354%0.53916%0.161SC..THydrogen-bonded Turntrans-54-31.5177.2-67-172.7178.6-177.10113.6E391K131-E391 WeakPolarHBondContact CE-OE1 3.5Å; K131-E391 IonicContact NZ-OE1 3.87Å; K131-E391 PolarHBondContact NZ-OE1 3.26Å
132S79.3Confident86.9Confident101 Ų10129.4 Ų29.471%0.70616%0.162SC*.THydrogen-bonded Turntrans-80.2-24.5-177.762.40000114.3T130T130-S132 PolarHBondContact O-N 2.57Å; T130-S132 PolarHBondContact OG1-OG 3.21Å; T130-S132 VanDerWaalsContact OG1-OG 3.09Å
133N84.7Confident86.8Confident34 Ų3429.9 Ų29.918%0.18217%0.166CC..THydrogen-bonded Turntrans-115.31.3-178.771.814.7000113.8S129 T130 N135 Q136 H137S129-N133 VanDerWaalsContact CA-OD1 3.31Å; S129-N133 WeakPolarHBondContact CA-OD1 3.22Å; S129-N133 WeakPolarHBondContact CB-OD1 3.21Å; T130-N133 PolarHBondContact N-OD1 3.31Å; T130-N133 PolarHBondContact O-N 3.42Å; T130-N133 VanDerWaalsContact O-N 3.12Å; T130-N133 PolarHBondContact O-OD1 3.44Å; T130-N133 VanDerWaalsContact O-OD1 3.08Å; T130-N133 PolarHBondContact OG1-OD1 3.3Å; N133-N135 PolarHBondContact O-N 2.7Å; N133-Q136 HydrophobicContact CB-CB 4.44Å; N133-Q136 WeakPolarHBondContact O-CA 3.37Å; N133-Q136 WeakPolarHBondContact O-CB 3.48Å; N133-Q136 PolarHBondContact O-N 2.62Å; N133-H137 PolarHBondContact ND2-CE1 3.04Å; N133-H137 PolarHBondContact O-N 2.95Å
134L83.2Confident86.9Confident6 Ų632.1 Ų32.13%0.03118%0.178CC..Hα-helixtrans-50.3-54.9179.7-173.671.6000112.4T126 T130 Q136 H137 F138 G386 F387T126-L134 HydrophobicContact CG2-CD1 4.17Å; T130-L134 WeakPolarHBondContact O-CB 3.36Å; T130-L134 PolarHBondContact O-N 3.2Å; L134-Q136 PolarHBondContact O-N 2.88Å; L134-H137 PolarHBondContact O-N 3.29Å; L134-F138 HydrophobicContact CD1-CD2 4.02Å; L134-F138 HydrophobicContact CD1-CE2 3.68Å; L134-F138 HydrophobicContact CG-CD2 4.06Å; L134-F138 HydrophobicContact CG-CE2 4.11Å; L134-F138 WeakPolarHBondContact O-CD2 3.2Å; L134-F138 PolarHBondContact O-N 3.36Å; L134-G386 VanDerWaalsContact CD2-C 3.43Å; L134-F387 HydrophobicContact CD2-CB 4.49Å
135N81.9Confident86.9Confident58 Ų5832.1 Ų32.131%0.3118%0.178SC..Hα-helixtrans-57.6-39.1178.1-64.80000110.7N133 S139 A383N133-N135 PolarHBondContact O-N 2.7Å; N135-S139 VanDerWaalsContact O-CB 3.31Å; N135-S139 WeakPolarHBondContact O-CB 3.37Å; N135-S139 PolarHBondContact O-N 2.85Å; N135-S139 PolarHBondContact O-OG 3.41Å; N135-A383 WeakPolarHBondContact OD1-CB 3.45Å
136Q84.3Confident86.9Confident57 Ų5732.1 Ų32.127%0.26618%0.178SC..Hα-helixtrans-66.8-43.4-177.7-61.4-174.711.600112.6N133 L134 S139 L140 R311N133-Q136 HydrophobicContact CB-CB 4.44Å; N133-Q136 WeakPolarHBondContact O-CA 3.37Å; N133-Q136 WeakPolarHBondContact O-CB 3.48Å; N133-Q136 PolarHBondContact O-N 2.62Å; L134-Q136 PolarHBondContact O-N 2.88Å; Q136-S139 PolarHBondContact O-N 3.42Å; Q136-L140 WeakPolarHBondContact O-CB 3.28Å; Q136-L140 PolarHBondContact O-N 3.47Å; Q136-R311 VanDerWaalsContact OE1-CZ 3.28Å; Q136-R311 VanDerWaalsContact OE1-NH1 3.11Å
137H87.9Confident87.1Confident11 Ų1132.7 Ų32.75%0.05118%0.184CC..Hα-helixtrans-69.1-42.3177.9-72.2174.1000111.5V10 I125 C128 S129 N133 L134 S139 L140 F141V10-H137 HydrophobicContact CG1-CB 4.25Å; V10-H137 WeakPolarHBondContact CG1-O 3.32Å; V10-H137 HydrophobicContact CG2-CB 3.94Å; I125-H137 HydrophobicContact CG2-CB 3.92Å; C128-H137 PolarHBondContact O-CE1 2.88Å; C128-H137 PolarHBondContact O-ND1 2.67Å; S129-H137 WeakPolarHBondContact OG-CB 3.38Å; S129-H137 PolarHBondContact OG-ND1 2.98Å; N133-H137 PolarHBondContact ND2-CE1 3.04Å; N133-H137 PolarHBondContact O-N 2.95Å; L134-H137 PolarHBondContact O-N 3.29Å; H137-S139 VanDerWaalsContact C-N 3.35Å; H137-S139 PolarHBondContact O-N 2.98Å; H137-L140 PolarHBondContact O-N 3.27Å; H137-F141 WeakPolarHBondContact O-CB 3.38Å; H137-F141 PolarHBondContact O-N 2.96Å
138F86.9Confident87.3Confident3 Ų330.9 Ų30.91%0.01317%0.174CC..Hα-helixtrans-61.6-42.1172.1-85.4-69.3000112.1I125 L134 F141 W142 F400I125-F138 HydrophobicContact CB-CD1 4.45Å; I125-F138 HydrophobicContact CB-CE1 3.99Å; I125-F138 HydrophobicContact CB-CE2 4.48Å; I125-F138 HydrophobicContact CB-CZ 3.99Å; I125-F138 HydrophobicContact CD1-CD1 4.4Å; I125-F138 HydrophobicContact CD1-CE1 4.49Å; I125-F138 HydrophobicContact CG2-CD1 3.96Å; I125-F138 HydrophobicContact CG2-CD2 3.94Å; I125-F138 HydrophobicContact CG2-CE1 3.91Å; I125-F138 HydrophobicContact CG2-CE2 3.89Å; I125-F138 HydrophobicContact CG2-CG 3.96Å; I125-F138 HydrophobicContact CG2-CZ 3.86Å; L134-F138 HydrophobicContact CD1-CD2 4.02Å; L134-F138 HydrophobicContact CD1-CE2 3.68Å; L134-F138 HydrophobicContact CG-CD2 4.06Å; L134-F138 HydrophobicContact CG-CE2 4.11Å; L134-F138 WeakPolarHBondContact O-CD2 3.2Å; L134-F138 PolarHBondContact O-N 3.36Å; F138-F141 PolarHBondContact O-N 2.8Å; F138-W142 VanDerWaalsContact O-CB 3.29Å; F138-W142 WeakPolarHBondContact O-CB 3.42Å; F138-W142 PolarHBondContact O-N 3.44Å; F138-F400 HydrophobicContact CE1-CE1 4.32Å; F138-F400 HydrophobicContact CE1-CZ 4Å; F138-F400 HydrophobicContact CE2-CZ 4.17Å; F138-F400 HydrophobicContact CZ-CE1 4.18Å; F138-F400 HydrophobicContact CZ-CE2 4.11Å; F138-F400 AromaticContact CZ-CZ 3.42Å; F138-F400 HydrophobicContact CZ-CZ 3.42Å; F138-F400 VanDerWaalsContact CZ-CZ 3.42Å
139S85.7Confident87.3Confident13 Ų1331.2 Ų31.29%0.09118%0.176CC..Hα-helixtrans-62.4-44.3177.1-52.30000112.1N135 Q136 H137 W142 G143 S310N135-S139 VanDerWaalsContact O-CB 3.31Å; N135-S139 WeakPolarHBondContact O-CB 3.37Å; N135-S139 PolarHBondContact O-N 2.85Å; N135-S139 PolarHBondContact O-OG 3.41Å; Q136-S139 PolarHBondContact O-N 3.42Å; H137-S139 VanDerWaalsContact C-N 3.35Å; H137-S139 PolarHBondContact O-N 2.98Å; S139-W142 PolarHBondContact O-N 3.16Å; S139-G143 PolarHBondContact O-N 3.34Å; S139-S310 WeakPolarHBondContact CB-OG 3.36Å; S139-S310 PolarHBondContact OG-OG 3.07Å
140L89.5Confident87.5Confident65 Ų6532.5 Ų32.534%0.3418%0.181SC..Hα-helixtrans-63.4-48.5179.1174.361.2000110.7V10 Q136 H137 L144V10-L140 HydrophobicContact CG1-CB 4.22Å; V10-L140 HydrophobicContact CG1-CD2 3.92Å; V10-L140 HydrophobicContact CG1-CG 4.11Å; Q136-L140 WeakPolarHBondContact O-CB 3.28Å; Q136-L140 PolarHBondContact O-N 3.47Å; H137-L140 PolarHBondContact O-N 3.27Å; L140-L144 HydrophobicContact CD1-CD1 3.96Å; L140-L144 HydrophobicContact CD1-CG 4.25Å; L140-L144 HydrophobicContact CG-CD1 4.22Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 WeakPolarHBondContact O-CG 3.47Å; L140-L144 PolarHBondContact O-N 3.16Å; L140-L144 VanDerWaalsContact O-N 3.07Å
141F91.3Very high87.9Confident0 Ų033.4 Ų33.40%019%0.186CC..Hα-helixtrans-57.2-52.6175162.7-98000111.1V10 T13 F17 W118 Q121 I125 H137 F138 G143 L144 F145V10-F141 HydrophobicContact CG1-CB 4.12Å; T13-F141 HydrophobicContact CG2-CD2 4.01Å; T13-F141 HydrophobicContact CG2-CE2 3.84Å; F17-F141 HydrophobicContact CB-CE2 3.94Å; F17-F141 HydrophobicContact CB-CZ 4.27Å; F17-F141 AromaticContact CD1-CE2 3.82Å; F17-F141 HydrophobicContact CD1-CE2 3.82Å; F17-F141 AromaticContact CD1-CZ 3.5Å; F17-F141 HydrophobicContact CD1-CZ 3.5Å; F17-F141 VanDerWaalsContact CD1-CZ 3.5Å; F17-F141 HydrophobicContact CD2-CE2 4.11Å; F17-F141 HydrophobicContact CE1-CE2 4.34Å; F17-F141 AromaticContact CE1-CZ 3.91Å; F17-F141 HydrophobicContact CE1-CZ 3.91Å; F17-F141 AromaticContact CG-CE2 3.68Å; F17-F141 HydrophobicContact CG-CE2 3.68Å; F17-F141 AromaticContact CG-CZ 3.88Å; F17-F141 HydrophobicContact CG-CZ 3.88Å; W118-F141 HydrophobicContact CZ3-CE1 4.3Å; W118-F141 HydrophobicContact CZ3-CZ 4.33Å; Q121-F141 VanDerWaalsContact CD-CZ 3.5Å; Q121-F141 HydrophobicContact CG-CE1 4.21Å; Q121-F141 HydrophobicContact CG-CE2 3.93Å; Q121-F141 HydrophobicContact CG-CZ 3.64Å; I125-F141 HydrophobicContact CD1-CB 3.24Å; I125-F141 HydrophobicContact CD1-CD1 3.73Å; I125-F141 HydrophobicContact CD1-CD2 3.7Å; I125-F141 HydrophobicContact CD1-CE2 4.5Å; I125-F141 HydrophobicContact CD1-CG 3.25Å; H137-F141 WeakPolarHBondContact O-CB 3.38Å; H137-F141 PolarHBondContact O-N 2.96Å; F138-F141 PolarHBondContact O-N 2.8Å; F141-G143 PolarHBondContact O-N 3.47Å; F141-L144 PolarHBondContact O-N 2.96Å; F141-F145 HydrophobicContact CE1-CD1 4.29Å; F141-F145 HydrophobicContact CE2-CB 4.37Å; F141-F145 HydrophobicContact CZ-CB 4.26Å; F141-F145 HydrophobicContact CZ-CD1 4.44Å; F141-F145 HydrophobicContact CZ-CG 4.39Å; F141-F145 WeakPolarHBondContact O-CB 3.23Å; F141-F145 PolarHBondContact O-N 3.09Å
142W88.4Confident88.6Confident7 Ų727.6 Ų27.63%0.02716%0.161CC..Hα-helixtrans-63.6-41.3-175.1-153.4-88.7000111.4W118 F138 S139 F145 Q146 S307 N378 T379W118-W142 HydrophobicContact CH2-CH2 4.3Å; W118-W142 HydrophobicContact CH2-CZ3 4.24Å; W118-W142 HydrophobicContact CZ3-CH2 4.24Å; W118-W142 AromaticContact CZ3-CZ3 3.84Å; W118-W142 HydrophobicContact CZ3-CZ3 3.84Å; F138-W142 VanDerWaalsContact O-CB 3.29Å; F138-W142 WeakPolarHBondContact O-CB 3.42Å; F138-W142 PolarHBondContact O-N 3.44Å; S139-W142 PolarHBondContact O-N 3.16Å; W142-F145 HydrophobicContact CD2-CD1 4.17Å; W142-F145 HydrophobicContact CD2-CE1 4.35Å; W142-F145 HydrophobicContact CE3-CD1 4.32Å; W142-F145 HydrophobicContact CE3-CE1 4.48Å; W142-F145 HydrophobicContact CG-CD1 4.49Å; W142-F145 HydrophobicContact CH2-CE1 4.26Å; W142-F145 HydrophobicContact CZ2-CE1 4.13Å; W142-F145 HydrophobicContact CZ3-CE1 4.44Å; W142-F145 PolarHBondContact O-N 3.17Å; W142-Q146 VanDerWaalsContact CD1-CG 3.46Å; W142-Q146 HydrophobicContact CG-CG 4.22Å; W142-Q146 VanDerWaalsContact O-CB 3.23Å; W142-Q146 WeakPolarHBondContact O-CB 3.36Å; W142-Q146 WeakPolarHBondContact O-CG 3.43Å; W142-Q146 PolarHBondContact O-N 2.68Å; W142-S307 VanDerWaalsContact CD1-OG 3.3Å; W142-N378 HydrophobicContact CH2-CB 3.54Å; W142-N378 HydrophobicContact CZ2-CB 3.38Å; W142-N378 HydrophobicContact CZ3-CB 4.24Å; W142-T379 HydrophobicContact CB-CG2 3.72Å; W142-T379 HydrophobicContact CD2-CG2 4.12Å; W142-T379 HydrophobicContact CG-CG2 3.64Å
143G89.2Confident89Confident10 Ų1022.8 Ų22.810%0.10313%0.127CC..Hα-helixtrans-63.4-41.9176.200000113.4S139 F141 A147S139-G143 PolarHBondContact O-N 3.34Å; F141-G143 PolarHBondContact O-N 3.47Å; G143-A147 PolarHBondContact O-N 2.91Å
144L92.9Very high89.3Confident50 Ų5025.1 Ų25.126%0.26214%0.139SC..Hα-helixtrans-68.1-48.1175.9-73.9172.9000111.7T11 F18 L140 F141 Q146 A147T11-L144 HydrophobicContact CG2-CD1 3.96Å; F18-L144 WeakPolarHBondContact CD2-O 3.33Å; L140-L144 HydrophobicContact CD1-CD1 3.96Å; L140-L144 HydrophobicContact CD1-CG 4.25Å; L140-L144 HydrophobicContact CG-CD1 4.22Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 WeakPolarHBondContact O-CG 3.47Å; L140-L144 PolarHBondContact O-N 3.16Å; L140-L144 VanDerWaalsContact O-N 3.07Å; F141-L144 PolarHBondContact O-N 2.96Å; L144-Q146 PolarHBondContact O-N 3.19Å; L144-A147 WeakPolarHBondContact O-CB 3.32Å; L144-A147 PolarHBondContact O-N 3.17Å
145F92.7Very high89.7Confident2 Ų228.2 Ų28.21%0.00915%0.151CC..Hα-helixtrans-54.1-54.5176154.9-126.5000109.8F17 F21 W118 F141 W142 A147 N148F17-F145 HydrophobicContact CB-CB 4.17Å; F17-F145 HydrophobicContact CB-CD2 3.9Å; F17-F145 HydrophobicContact CB-CG 4.26Å; F21-F145 HydrophobicContact CB-CD2 4.03Å; F21-F145 HydrophobicContact CB-CE2 3.4Å; F21-F145 VanDerWaalsContact CB-CE2 3.4Å; F21-F145 HydrophobicContact CB-CZ 4.45Å; F21-F145 AromaticContact CD1-CE2 3.82Å; F21-F145 HydrophobicContact CD1-CE2 3.82Å; F21-F145 HydrophobicContact CD1-CZ 4.2Å; F21-F145 HydrophobicContact CD2-CD2 4.09Å; F21-F145 AromaticContact CD2-CE2 3.63Å; F21-F145 HydrophobicContact CD2-CE2 3.63Å; F21-F145 HydrophobicContact CE2-CE2 4.36Å; F21-F145 HydrophobicContact CG-CD2 4.14Å; F21-F145 AromaticContact CG-CE2 3.33Å; F21-F145 HydrophobicContact CG-CE2 3.33Å; F21-F145 HydrophobicContact CG-CZ 4.15Å; W118-F145 HydrophobicContact CH2-CD1 4.35Å; W118-F145 AromaticContact CH2-CE1 3.66Å; W118-F145 HydrophobicContact CH2-CE1 3.66Å; W118-F145 HydrophobicContact CH2-CE2 4.44Å; W118-F145 AromaticContact CH2-CZ 3.71Å; W118-F145 HydrophobicContact CH2-CZ 3.71Å; W118-F145 HydrophobicContact CZ2-CE1 4.45Å; W118-F145 HydrophobicContact CZ2-CZ 4.07Å; F141-F145 HydrophobicContact CE1-CD1 4.29Å; F141-F145 HydrophobicContact CE2-CB 4.37Å; F141-F145 HydrophobicContact CZ-CB 4.26Å; F141-F145 HydrophobicContact CZ-CD1 4.44Å; F141-F145 HydrophobicContact CZ-CG 4.39Å; F141-F145 WeakPolarHBondContact O-CB 3.23Å; F141-F145 PolarHBondContact O-N 3.09Å; W142-F145 HydrophobicContact CD2-CD1 4.17Å; W142-F145 HydrophobicContact CD2-CE1 4.35Å; W142-F145 HydrophobicContact CE3-CD1 4.32Å; W142-F145 HydrophobicContact CE3-CE1 4.48Å; W142-F145 HydrophobicContact CG-CD1 4.49Å; W142-F145 HydrophobicContact CH2-CE1 4.26Å; W142-F145 HydrophobicContact CZ2-CE1 4.13Å; W142-F145 HydrophobicContact CZ3-CE1 4.44Å; W142-F145 PolarHBondContact O-N 3.17Å; F145-A147 VanDerWaalsContact C-N 3.28Å; F145-A147 PolarHBondContact O-N 3.22Å; F145-N148 WeakPolarHBondContact O-CB 3.37Å; F145-N148 PolarHBondContact O-N 3.36Å; F145-N148 PolarHBondContact O-ND2 2.92Å
146Q91Very high90Very high0 Ų025.5 Ų25.50%014%0.137CC..Hα-helixtrans-72.1-13.5-172.9-65.9-6349.400115.5W142 L144 N148 Q149 E303 D374W142-Q146 VanDerWaalsContact CD1-CG 3.46Å; W142-Q146 HydrophobicContact CG-CG 4.22Å; W142-Q146 VanDerWaalsContact O-CB 3.23Å; W142-Q146 WeakPolarHBondContact O-CB 3.36Å; W142-Q146 WeakPolarHBondContact O-CG 3.43Å; W142-Q146 PolarHBondContact O-N 2.68Å; L144-Q146 PolarHBondContact O-N 3.19Å; Q146-N148 WeakPolarHBondContact CA-ND2 3.33Å; Q146-N148 PolarHBondContact O-N 2.94Å; Q146-N148 PolarHBondContact OE1-ND2 3.45Å; Q146-Q149 PolarHBondContact O-N 3.08Å; Q146-Q149 VanDerWaalsContact O-N 3.15Å; Q146-E303 HydrophobicContact CB-CB 3.59Å; Q146-E303 HydrophobicContact CB-CG 4.42Å; Q146-E303 VanDerWaalsContact CB-OE2 3.24Å; Q146-E303 WeakPolarHBondContact CB-OE2 2.9Å; Q146-E303 HydrophobicContact CG-CB 3.84Å; Q146-E303 HydrophobicContact CG-CG 4.3Å; Q146-E303 WeakPolarHBondContact CG-OE2 3.41Å; Q146-E303 PolarHBondContact NE2-OE1 2.99Å; Q146-E303 PolarHBondContact NE2-OE2 3.34Å; Q146-E303 PolarHBondContact OE1-OE2 3.18Å; Q146-D374 PolarHBondContact NE2-OD2 3.35Å
147A92.6Very high90.2Very high25 Ų2526.3 Ų26.321%0.20714%0.138CC..THydrogen-bonded Turntrans-57.7-17.3165.800000112.8F18 G143 L144 F145 Q149 I150 I304F18-A147 HydrophobicContact CD2-CB 3.87Å; F18-A147 HydrophobicContact CE2-CB 3.87Å; F18-A147 WeakPolarHBondContact CE2-O 3.29Å; G143-A147 PolarHBondContact O-N 2.91Å; L144-A147 WeakPolarHBondContact O-CB 3.32Å; L144-A147 PolarHBondContact O-N 3.17Å; F145-A147 VanDerWaalsContact C-N 3.28Å; F145-A147 PolarHBondContact O-N 3.22Å; A147-Q149 PolarHBondContact O-N 2.87Å; A147-I150 WeakPolarHBondContact O-CB 3.43Å; A147-I150 PolarHBondContact O-N 3.25Å; A147-I304 HydrophobicContact CB-CD1 3.92Å
148N93.1Very high90.3Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-55.3-37.6175.18384.7000113F18 F21 A22 F145 Q146 I150 V151 G152F18-N148 VanDerWaalsContact CD2-CA 3.49Å; F18-N148 HydrophobicContact CD2-CB 3.91Å; F18-N148 HydrophobicContact CE2-CB 4.35Å; F18-N148 VanDerWaalsContact CE2-N 3.34Å; F18-N148 HydrophobicContact CG-CB 4.32Å; F18-N148 WeakPolarHBondContact O-CB 3.19Å; F21-N148 VanDerWaalsContact C-OD1 3.28Å; F21-N148 PolarHBondContact O-OD1 2.94Å; A22-N148 HydrophobicContact CB-CB 3.9Å; A22-N148 PolarHBondContact N-OD1 3.44Å; F145-N148 WeakPolarHBondContact O-CB 3.37Å; F145-N148 PolarHBondContact O-N 3.36Å; F145-N148 PolarHBondContact O-ND2 2.92Å; Q146-N148 WeakPolarHBondContact CA-ND2 3.33Å; Q146-N148 PolarHBondContact O-N 2.94Å; Q146-N148 PolarHBondContact OE1-ND2 3.45Å; N148-I150 VanDerWaalsContact C-N 3.26Å; N148-I150 PolarHBondContact O-N 3.05Å; N148-V151 PolarHBondContact O-N 3.28Å; N148-G152 PolarHBondContact O-N 3Å
149Q90.3Very high90.3Very high6 Ų632.3 Ų32.33%0.02817%0.172CC..Hα-helixtrans-67-29.7-176.8-67.5-70.67.200112.1Q25 Q146 A147 G153 G296 E303Q25-Q149 VanDerWaalsContact CG-NE2 3.35Å; Q146-Q149 PolarHBondContact O-N 3.08Å; Q146-Q149 VanDerWaalsContact O-N 3.15Å; A147-Q149 PolarHBondContact O-N 2.87Å; Q149-G153 WeakPolarHBondContact O-CA 3.04Å; Q149-G153 PolarHBondContact O-N 3.42Å; Q149-G296 CarbonylContact O-C 3.28Å; Q149-E303 VanDerWaalsContact CG-OE2 3.3Å; Q149-E303 WeakPolarHBondContact CG-OE2 3.38Å
150I91.7Very high90.3Very high49 Ų4931.9 Ų31.925%0.25117%0.169SC..Hα-helixtrans-65.7-51.5175.1-64.4-173.5000109.9A147 N148 L154 L297 I301 I304A147-I150 WeakPolarHBondContact O-CB 3.43Å; A147-I150 PolarHBondContact O-N 3.25Å; N148-I150 VanDerWaalsContact C-N 3.26Å; N148-I150 PolarHBondContact O-N 3.05Å; I150-L154 VanDerWaalsContact O-CB 3.24Å; I150-L154 WeakPolarHBondContact O-CB 3.19Å; I150-L154 PolarHBondContact O-N 3.23Å; I150-L297 HydrophobicContact CB-CD1 3.86Å; I150-L297 HydrophobicContact CG1-CD1 4.03Å; I150-L297 HydrophobicContact CG2-CD1 3.45Å; I150-L297 VanDerWaalsContact CG2-CD1 3.45Å; I150-I301 HydrophobicContact CD1-CG1 3.9Å; I150-I301 HydrophobicContact CG1-CG1 4.23Å; I150-I304 HydrophobicContact CD1-CD1 3.43Å; I150-I304 VanDerWaalsContact CD1-CD1 3.43Å; I150-I304 HydrophobicContact CG1-CD1 4.35Å
151V92.4Very high90.1Very high80 Ų8030.2 Ų30.249%0.48516%0.163SC..Hα-helixtrans-70.3-43.6-178176.50000110.9F18 N148 L154 Y155F18-V151 HydrophobicContact CE2-CG2 4.19Å; F18-V151 HydrophobicContact CZ-CB 4.14Å; F18-V151 HydrophobicContact CZ-CG2 3.75Å; N148-V151 PolarHBondContact O-N 3.28Å; V151-L154 PolarHBondContact O-N 2.78Å; V151-Y155 VanDerWaalsContact O-CB 3.31Å; V151-Y155 WeakPolarHBondContact O-CB 3.31Å; V151-Y155 PolarHBondContact O-N 3.48Å
152G91.1Very high89.5Confident2 Ų237 Ų372%0.02120%0.199CC..Hα-helixtrans-63.9-46.4177.100000113.4T26 N148 Y155 A156T26-G152 WeakPolarHBondContact CG2-O 3.39Å; T26-G152 WeakPolarHBondContact OG1-CA 3.11Å; N148-G152 PolarHBondContact O-N 3Å; G152-Y155 WeakPolarHBondContact O-CB 3.33Å; G152-Y155 PolarHBondContact O-N 2.62Å; G152-A156 PolarHBondContact O-N 3.47Å
153G88.1Confident89.2Confident0 Ų038.6 Ų38.60%021%0.208CC..Hα-helixtrans-62.4-43.7175.100000112.4Q149 Y155 A156 Y157 G293Q149-G153 WeakPolarHBondContact O-CA 3.04Å; Q149-G153 PolarHBondContact O-N 3.42Å; G153-Y155 VanDerWaalsContact C-N 3.34Å; G153-Y155 PolarHBondContact O-N 2.89Å; G153-A156 PolarHBondContact O-N 3.22Å; G153-Y157 VanDerWaalsContact O-CB 3.3Å; G153-Y157 WeakPolarHBondContact O-CB 3.3Å; G153-Y157 PolarHBondContact O-N 3.48Å; G153-G293 CarbonylContact C-O 3.25Å; G153-G293 VanDerWaalsContact C-O 3.28Å; G153-G293 VanDerWaalsContact CA-O 3.25Å; G153-G293 WeakPolarHBondContact CA-O 3.35Å; G153-G293 CarbonylContact O-C 3.57Å; G153-G293 VanDerWaalsContact O-C 3.32Å; G153-G293 VanDerWaalsContact O-CA 3.23Å; G153-G293 WeakPolarHBondContact O-CA 3.18Å; G153-G293 VanDerWaalsContact O-O 3.11Å
154L91.3Very high88.6Confident83 Ų8344 Ų4444%0.43523%0.234SC..Hα-helixtrans-63-41.6174.5-178.361.2000111.7I150 V151 Y157 L158I150-L154 VanDerWaalsContact O-CB 3.24Å; I150-L154 WeakPolarHBondContact O-CB 3.19Å; I150-L154 PolarHBondContact O-N 3.23Å; V151-L154 PolarHBondContact O-N 2.78Å; L154-Y157 PolarHBondContact O-N 3.02Å; L154-L158 HydrophobicContact CD1-CD1 4.01Å; L154-L158 HydrophobicContact CD1-CG 4.05Å; L154-L158 HydrophobicContact CG-CD1 3.96Å; L154-L158 HydrophobicContact CG-CG 4.39Å; L154-L158 WeakPolarHBondContact O-CB 3.06Å; L154-L158 VanDerWaalsContact O-CG 3.28Å; L154-L158 WeakPolarHBondContact O-CG 3.23Å; L154-L158 PolarHBondContact O-N 3.27Å
155Y91.5Very high88.2Confident72 Ų7248.1 Ų48.128%0.28225%0.252SS..Hα-helixtrans-60.8-50.4176.4180-115.9000111.4T26 V151 G152 G153 Y157 L158 S159 Q173 L174 L178T26-Y155 HydrophobicContact CG2-CD1 4.38Å; V151-Y155 VanDerWaalsContact O-CB 3.31Å; V151-Y155 WeakPolarHBondContact O-CB 3.31Å; V151-Y155 PolarHBondContact O-N 3.48Å; G152-Y155 WeakPolarHBondContact O-CB 3.33Å; G152-Y155 PolarHBondContact O-N 2.62Å; G153-Y155 VanDerWaalsContact C-N 3.34Å; G153-Y155 PolarHBondContact O-N 2.89Å; Y155-Y157 VanDerWaalsContact C-N 3.34Å; Y155-Y157 PolarHBondContact O-N 2.85Å; Y155-L158 PolarHBondContact O-N 3.17Å; Y155-S159 WeakPolarHBondContact O-CB 3.41Å; Y155-S159 PolarHBondContact O-N 3.34Å; Y155-S159 PolarHBondContact O-OG 3.25Å; Y155-S159 VanDerWaalsContact O-OG 3.09Å; Y155-Q173 PolarHBondContact OH-O 3.24Å; Y155-Q173 VanDerWaalsContact OH-O 3.07Å; Y155-L174 HydrophobicContact CD1-CD1 3.92Å; Y155-L174 HydrophobicContact CE1-CD1 3.47Å; Y155-L174 VanDerWaalsContact CE1-CD1 3.47Å; Y155-L174 HydrophobicContact CE1-CG 4.35Å; Y155-L174 WeakPolarHBondContact OH-CA 3.35Å; Y155-L174 PolarHBondContact OH-O 2.87Å; Y155-L178 HydrophobicContact CD1-CD2 3.81Å; Y155-L178 HydrophobicContact CD1-CG 4.43Å; Y155-L178 HydrophobicContact CE1-CD2 3.84Å; Y155-L178 HydrophobicContact CE1-CG 4Å
156A88.6Confident88Confident0 Ų048.2 Ų48.20%025%0.253CS..Hα-helixtrans-60.4-4217500000112.5T26 T30 G152 G153 S159 L160T26-A156 HydrophobicContact CG2-CB 3.85Å; T30-A156 HydrophobicContact CG2-CB 3.9Å; G152-A156 PolarHBondContact O-N 3.47Å; G153-A156 PolarHBondContact O-N 3.22Å; A156-S159 PolarHBondContact O-N 2.81Å; A156-L160 VanDerWaalsContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CB 3.45Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.21Å; A156-L160 PolarHBondContact O-N 3.19Å
157Y88.1Confident88Confident75 Ų7550.7 Ų50.729%0.29427%0.27SS..Hα-helixtrans-58.5-50.7177.6176.6-92000111G153 L154 Y155 L160 S161 S290 L294G153-Y157 VanDerWaalsContact O-CB 3.3Å; G153-Y157 WeakPolarHBondContact O-CB 3.3Å; G153-Y157 PolarHBondContact O-N 3.48Å; L154-Y157 PolarHBondContact O-N 3.02Å; Y155-Y157 VanDerWaalsContact C-N 3.34Å; Y155-Y157 PolarHBondContact O-N 2.85Å; Y157-L160 PolarHBondContact O-N 3.1Å; Y157-S161 WeakPolarHBondContact O-CB 3.32Å; Y157-S161 PolarHBondContact O-N 3.48Å; Y157-S161 PolarHBondContact O-OG 3.32Å; Y157-S290 WeakPolarHBondContact CD2-O 3.33Å; Y157-L294 HydrophobicContact CD2-CB 3.94Å; Y157-L294 HydrophobicContact CD2-CD1 4.38Å; Y157-L294 HydrophobicContact CE2-CB 4.3Å; Y157-L294 HydrophobicContact CE2-CD1 4.44Å
158L89.4Confident88Confident112 Ų11252.2 Ų52.259%0.58628%0.278SS*.Hα-helixtrans-67.5-39.5-178.5-67.8173.7000111.8L154 Y155L154-L158 HydrophobicContact CD1-CD1 4.01Å; L154-L158 HydrophobicContact CD1-CG 4.05Å; L154-L158 HydrophobicContact CG-CD1 3.96Å; L154-L158 HydrophobicContact CG-CG 4.39Å; L154-L158 WeakPolarHBondContact O-CB 3.06Å; L154-L158 VanDerWaalsContact O-CG 3.28Å; L154-L158 WeakPolarHBondContact O-CG 3.23Å; L154-L158 PolarHBondContact O-N 3.27Å; Y155-L158 PolarHBondContact O-N 3.17Å
159S87.4Confident88Confident28 Ų2856.6 Ų56.620%0.19630%0.304CS..Hα-helixtrans-69.9-31.3177.8-660000113.4Y155 A156Y155-S159 WeakPolarHBondContact O-CB 3.41Å; Y155-S159 PolarHBondContact O-N 3.34Å; Y155-S159 PolarHBondContact O-OG 3.25Å; Y155-S159 VanDerWaalsContact O-OG 3.09Å; A156-S159 PolarHBondContact O-N 2.81Å
160L86.5Confident88.1Confident3 Ų357.5 Ų57.52%0.01631%0.309CS..THydrogen-bonded Turntrans-100.27.4-178.9-58.2175.8000113.2T30 A156 Y157 I163 I166 L170 S290T30-L160 HydrophobicContact CG2-CD1 4Å; A156-L160 VanDerWaalsContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CB 3.45Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.21Å; A156-L160 PolarHBondContact O-N 3.19Å; Y157-L160 PolarHBondContact O-N 3.1Å; L160-I163 HydrophobicContact CB-CD1 4.34Å; L160-I163 HydrophobicContact CD2-CD1 3.69Å; L160-I166 HydrophobicContact CD2-CD1 4.05Å; L160-I166 HydrophobicContact CD2-CG1 4.04Å; L160-L170 HydrophobicContact CD2-CD2 4.43Å; L160-S290 PolarHBondContact O-OG 3.29Å
161S83.8Confident88.2Confident31 Ų3155.5 Ų55.522%0.21730%0.299CS..THydrogen-bonded Turntrans-73.4134.2178.6-77.10000111.7Y157 I163Y157-S161 WeakPolarHBondContact O-CB 3.32Å; Y157-S161 PolarHBondContact O-N 3.48Å; Y157-S161 PolarHBondContact O-OG 3.32Å; S161-I163 VanDerWaalsContact C-N 3.27Å; S161-I163 PolarHBondContact O-N 3.17Å
162N79.5Confident88.3Confident143 Ų14355.7 Ų55.777%0.76530%0.296SS*.THydrogen-bonded Turntrans57.432.1174-58.3-36.6000114.8
163I81.5Confident88.4Confident40 Ų4061.3 Ų61.321%0.20532%0.322CS..  trans-113.3136.8173.968.9177000111.2L160 S161 I166 L170L160-I163 HydrophobicContact CB-CD1 4.34Å; L160-I163 HydrophobicContact CD2-CD1 3.69Å; S161-I163 VanDerWaalsContact C-N 3.27Å; S161-I163 PolarHBondContact O-N 3.17Å; I163-I166 HydrophobicContact CD1-CG1 4.03Å; I163-L170 HydrophobicContact CD1-CD2 3.32Å
164D77.7Confident88.7Confident124 Ų12461.3 Ų61.366%0.66332%0.322SS*.SBendtrans-82-36.2172.7-63.1-42.9000110.7K289D164-K289 PolarHBondContact O-NZ 2.94Å
165E83Confident88.9Confident136 Ų13657.4 Ų57.464%0.63630%0.301SS*.SBendtrans-139149.8-179.1-65.6-169.6168.600112.8S167E165-S167 PolarHBondContact O-N 3.3Å
166I88.7Confident89.1Confident4 Ų455.5 Ų55.52%0.02130%0.304CS..  trans-87.5104.4179.6-59.4170.5000108.6N33 V34 A37 Q41 L160 I163 L170N33-I166 HydrophobicContact CB-CD1 4.35Å; V34-I166 HydrophobicContact CG2-CD1 3.94Å; V34-I166 HydrophobicContact CG2-CG2 4.46Å; A37-I166 HydrophobicContact CB-CB 3.8Å; A37-I166 HydrophobicContact CB-CD1 4.49Å; A37-I166 HydrophobicContact CB-CG1 4.49Å; Q41-I166 PolarHBondContact NE2-O 3Å; L160-I166 HydrophobicContact CD2-CD1 4.05Å; L160-I166 HydrophobicContact CD2-CG1 4.04Å; I163-I166 HydrophobicContact CD1-CG1 4.03Å; I166-L170 HydrophobicContact CG2-CD2 4.34Å
167S91.5Very high89.4Confident51 Ų5157 Ų5736%0.35732%0.319SS..  trans-72.5159179.571.30000112.9E165 T169 L170 R171E165-S167 PolarHBondContact O-N 3.3Å; S167-T169 VanDerWaalsContact C-N 3.28Å; S167-T169 PolarHBondContact O-N 3.04Å; S167-L170 PolarHBondContact O-N 2.87Å; S167-L170 WeakPolarHBondContact OG-CB 3.28Å; S167-L170 PolarHBondContact OG-N 3.47Å; S167-R171 PolarHBondContact O-N 3.41Å
168P92.7Very high89.8Confident58 Ų5853.6 Ų53.638%0.37731%0.306SS..Hα-helixtrans-57.6-39.9174.8-24.634.5000112.8R171 I172P168-R171 WeakPolarHBondContact O-CB 3.41Å; P168-R171 PolarHBondContact O-N 3.21Å; P168-I172 WeakPolarHBondContact O-CG1 3.36Å; P168-I172 PolarHBondContact O-N 3.39Å
169T93.3Very high90.2Very high91 Ų9150.5 Ų50.556%0.55829%0.29SS*.Hα-helixtrans-62.6-45177.1-53.20000111.5S167 R171 I172 Q173S167-T169 VanDerWaalsContact C-N 3.28Å; S167-T169 PolarHBondContact O-N 3.04Å; T169-R171 VanDerWaalsContact C-N 3.33Å; T169-R171 PolarHBondContact O-N 3.42Å; T169-I172 PolarHBondContact O-N 3.42Å; T169-Q173 WeakPolarHBondContact O-CG 3.23Å; T169-Q173 PolarHBondContact O-N 3.19Å
170L92Very high90.6Very high25 Ų2551 Ų5113%0.13130%0.299CS..Hα-helixtrans-63.4-40.8177179.963.2000111.2L160 I163 I166 S167 Q173 L174L160-L170 HydrophobicContact CD2-CD2 4.43Å; I163-L170 HydrophobicContact CD1-CD2 3.32Å; I166-L170 HydrophobicContact CG2-CD2 4.34Å; S167-L170 PolarHBondContact O-N 2.87Å; S167-L170 WeakPolarHBondContact OG-CB 3.28Å; S167-L170 PolarHBondContact OG-N 3.47Å; L170-Q173 PolarHBondContact O-N 3.14Å; L170-L174 VanDerWaalsContact O-CB 3.28Å; L170-L174 WeakPolarHBondContact O-CB 3.22Å; L170-L174 PolarHBondContact O-N 3.28Å
171R94Very high91.1Very high8 Ų852.8 Ų52.83%0.0331%0.312CS..Hα-helixtrans-57.5-50.7174.3179.3178.369.4-128.55.6111.4V34 Y95 I96 E97 S167 P168 T169 Q173 L174 Y175V34-R171 HydrophobicContact CG1-CG 3.98Å; Y95-R171 WeakPolarHBondContact O-CD 3.32Å; Y95-R171 WeakPolarHBondContact O-CG 3.36Å; I96-R171 PolarHBondContact O-NE 3.06Å; E97-R171 IonicContact OE2-CZ 3.89Å; E97-R171 IonicContact OE2-NH2 2.83Å; E97-R171 PolarHBondContact OE2-NH2 2.84Å; S167-R171 PolarHBondContact O-N 3.41Å; P168-R171 WeakPolarHBondContact O-CB 3.41Å; P168-R171 PolarHBondContact O-N 3.21Å; T169-R171 VanDerWaalsContact C-N 3.33Å; T169-R171 PolarHBondContact O-N 3.42Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 3.01Å; R171-L174 PolarHBondContact O-N 3.49Å; R171-Y175 HydrophobicContact CG-CD2 3.92Å; R171-Y175 HydrophobicContact CG-CE2 4.2Å; R171-Y175 WeakPolarHBondContact O-CD2 3.47Å; R171-Y175 PolarHBondContact O-N 3.27Å
172I95.3Very high91.8Very high83 Ų8351.3 Ų51.343%0.42630%0.301SS..Hα-helixtrans-60.7-42.5179.3-67.3166.2000110.9I96 P168 T169 G176I96-I172 HydrophobicContact CG2-CB 4.47Å; I96-I172 HydrophobicContact CG2-CG1 4.01Å; I96-I172 HydrophobicContact CG2-CG2 4.31Å; P168-I172 WeakPolarHBondContact O-CG1 3.36Å; P168-I172 PolarHBondContact O-N 3.39Å; T169-I172 PolarHBondContact O-N 3.42Å; I172-G176 WeakPolarHBondContact O-CA 3.33Å; I172-G176 PolarHBondContact O-N 2.75Å
173Q93.3Very high92.7Very high120 Ų12047.7 Ų47.756%0.56128%0.284SS*.Hα-helixtrans-63.6-46.4177-73.5175.4-13.300112.1Y155 T169 L170 R171 G177Y155-Q173 PolarHBondContact OH-O 3.24Å; Y155-Q173 VanDerWaalsContact OH-O 3.07Å; T169-Q173 WeakPolarHBondContact O-CG 3.23Å; T169-Q173 PolarHBondContact O-N 3.19Å; L170-Q173 PolarHBondContact O-N 3.14Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 3.01Å; Q173-G177 PolarHBondContact O-N 2.9Å
174L92.7Very high93.4Very high1 Ų149.9 Ų49.91%0.00530%0.296CS..Hα-helixtrans-59.2-59.7179.4-176.172.7000110.6T30 V34 Y155 L170 R171 G177 L178T30-L174 HydrophobicContact CG2-CD2 4.5Å; V34-L174 HydrophobicContact CG2-CD2 4.34Å; Y155-L174 HydrophobicContact CD1-CD1 3.92Å; Y155-L174 HydrophobicContact CE1-CD1 3.47Å; Y155-L174 VanDerWaalsContact CE1-CD1 3.47Å; Y155-L174 HydrophobicContact CE1-CG 4.35Å; Y155-L174 WeakPolarHBondContact OH-CA 3.35Å; Y155-L174 PolarHBondContact OH-O 2.87Å; L170-L174 VanDerWaalsContact O-CB 3.28Å; L170-L174 WeakPolarHBondContact O-CB 3.22Å; L170-L174 PolarHBondContact O-N 3.28Å; R171-L174 PolarHBondContact O-N 3.49Å; L174-G177 PolarHBondContact O-N 3.07Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.41Å; L174-L178 PolarHBondContact O-N 3.04Å; L174-L178 VanDerWaalsContact O-N 3.13Å
175Y96.1Very high94.4Very high0 Ų044 Ų440%026%0.264CS..Hα-helixtrans-75.2-27.3-175.7-71-82.8000113.4A27 T30 V34 I92 Y95 R171 L178 L179A27-Y175 HydrophobicContact CB-CD1 4.19Å; A27-Y175 HydrophobicContact CB-CE1 3.67Å; A27-Y175 PolarHBondContact O-OH 3.12Å; T30-Y175 PolarHBondContact OG1-OH 2.95Å; V34-Y175 HydrophobicContact CB-CE2 4.25Å; V34-Y175 HydrophobicContact CG1-CE2 3.71Å; V34-Y175 HydrophobicContact CG2-CE2 3.91Å; I92-Y175 HydrophobicContact CG2-CD1 4.45Å; Y95-Y175 AromaticContact CD1-CE1 3.8Å; Y95-Y175 HydrophobicContact CD1-CE1 3.8Å; Y95-Y175 HydrophobicContact CD1-CE2 4.4Å; Y95-Y175 AromaticContact CD1-CZ 3.64Å; Y95-Y175 WeakPolarHBondContact CD1-OH 3.47Å; Y95-Y175 HydrophobicContact CD2-CD1 4.43Å; Y95-Y175 HydrophobicContact CD2-CE1 4.02Å; Y95-Y175 AromaticContact CG-CD1 3.94Å; Y95-Y175 HydrophobicContact CG-CD1 3.94Å; Y95-Y175 AromaticContact CG-CE1 3.44Å; Y95-Y175 HydrophobicContact CG-CE1 3.44Å; Y95-Y175 VanDerWaalsContact CG-CE1 3.44Å; Y95-Y175 HydrophobicContact CG-CE2 4.46Å; Y95-Y175 AromaticContact CG-CZ 3.73Å; R171-Y175 HydrophobicContact CG-CD2 3.92Å; R171-Y175 HydrophobicContact CG-CE2 4.2Å; R171-Y175 WeakPolarHBondContact O-CD2 3.47Å; R171-Y175 PolarHBondContact O-N 3.27Å; Y175-L178 HydrophobicContact CD1-CD1 4.15Å; Y175-L178 HydrophobicContact CE1-CD1 4.46Å; Y175-L178 PolarHBondContact O-N 3.07Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 3.28Å
176G95.9Very high95.1Very high33 Ų3337.9 Ų37.934%0.3424%0.236SC..Hα-helixtrans-64.2-43.2171.200000112.3I172 L179 G180I172-G176 WeakPolarHBondContact O-CA 3.33Å; I172-G176 PolarHBondContact O-N 2.75Å; G176-L179 PolarHBondContact O-N 3Å; G176-G180 PolarHBondContact O-N 3.04Å; G176-G180 VanDerWaalsContact O-N 3.08Å
177G94.8Very high95.6Very high31 Ų3142.6 Ų42.632%0.3226%0.261SS..Hα-helixtrans-63-42.7173.600000112.7Q173 L174 G180 C181Q173-G177 PolarHBondContact O-N 2.9Å; L174-G177 PolarHBondContact O-N 3.07Å; G177-G180 PolarHBondContact O-N 3.35Å; G177-C181 PolarHBondContact O-N 3.4Å; G177-C181 VanDerWaalsContact O-N 3.11Å; G177-C181 PolarHBondContact O-SG 3.14Å
178L96.3Very high95.9Very high4 Ų442.4 Ų42.42%0.02126%0.255CS..Hα-helixtrans-63.9-41.3175.3-63.5175.4000111.9A23 T26 A27 I92 Y155 L174 Y175 G180 C181 A182A23-L178 HydrophobicContact CB-CB 4.04Å; A23-L178 WeakPolarHBondContact CB-O 3.34Å; T26-L178 HydrophobicContact CG2-CD1 4.16Å; T26-L178 HydrophobicContact CG2-CD2 3.96Å; A27-L178 HydrophobicContact CB-CD1 4.09Å; I92-L178 HydrophobicContact CG2-CB 3.95Å; Y155-L178 HydrophobicContact CD1-CD2 3.81Å; Y155-L178 HydrophobicContact CD1-CG 4.43Å; Y155-L178 HydrophobicContact CE1-CD2 3.84Å; Y155-L178 HydrophobicContact CE1-CG 4Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.41Å; L174-L178 PolarHBondContact O-N 3.04Å; L174-L178 VanDerWaalsContact O-N 3.13Å; Y175-L178 HydrophobicContact CD1-CD1 4.15Å; Y175-L178 HydrophobicContact CE1-CD1 4.46Å; Y175-L178 PolarHBondContact O-N 3.07Å; L178-G180 VanDerWaalsContact C-N 3.32Å; L178-G180 PolarHBondContact O-N 2.96Å; L178-C181 WeakPolarHBondContact O-CB 3.44Å; L178-C181 PolarHBondContact O-N 2.84Å; L178-C181 VanDerWaalsContact O-N 3.14Å; L178-A182 PolarHBondContact O-N 2.94Å
179L97.6Very high96.1Very high46 Ų4639.7 Ų39.724%0.24124%0.238CC..Hα-helixtrans-61.3-41.9176.4-178.360.9000111.6A89 I92 A93 I96 Y175 G176 C181 A182 V183A89-L179 HydrophobicContact CB-CD1 4Å; A89-L179 WeakPolarHBondContact O-CD1 3.39Å; I92-L179 HydrophobicContact CG2-CB 4.15Å; A93-L179 HydrophobicContact CB-CD1 4.38Å; A93-L179 HydrophobicContact CB-CD2 4.15Å; I96-L179 HydrophobicContact CD1-CD2 4.07Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 3.28Å; G176-L179 PolarHBondContact O-N 3Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C181 PolarHBondContact O-N 3.13Å; L179-A182 WeakPolarHBondContact O-CB 3.17Å; L179-A182 PolarHBondContact O-N 3.28Å; L179-V183 WeakPolarHBondContact O-CG2 3.29Å; L179-V183 PolarHBondContact O-N 3.49Å
180G97.2Very high96.3Very high38 Ų3840.1 Ų40.139%0.39223%0.232SC..Hα-helixtrans-57.7-43.1172.700000112.6G176 G177 L178 V183 L184G176-G180 PolarHBondContact O-N 3.04Å; G176-G180 VanDerWaalsContact O-N 3.08Å; G177-G180 PolarHBondContact O-N 3.35Å; L178-G180 VanDerWaalsContact C-N 3.32Å; L178-G180 PolarHBondContact O-N 2.96Å; G180-V183 PolarHBondContact O-N 3.47Å; G180-L184 WeakPolarHBondContact O-CG 3.33Å; G180-L184 PolarHBondContact O-N 3.19Å
181C96.2Very high96.4Very high42 Ų4241.8 Ų41.828%0.28424%0.244SC..Hα-helixtrans-61.6-44.2174.1-62.90000111.9F19 A23 G177 L178 L179 V183 L184 G185F19-C181 WeakPolarHBondContact CB-O 3.41Å; A23-C181 HydrophobicContact CB-CB 4.36Å; G177-C181 PolarHBondContact O-N 3.4Å; G177-C181 VanDerWaalsContact O-N 3.11Å; G177-C181 PolarHBondContact O-SG 3.14Å; L178-C181 WeakPolarHBondContact O-CB 3.44Å; L178-C181 PolarHBondContact O-N 2.84Å; L178-C181 VanDerWaalsContact O-N 3.14Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C181 PolarHBondContact O-N 3.13Å; C181-V183 VanDerWaalsContact C-N 3.33Å; C181-V183 PolarHBondContact O-N 3.12Å; C181-L184 WeakPolarHBondContact O-CB 3.46Å; C181-L184 PolarHBondContact O-N 3.11Å; C181-G185 PolarHBondContact O-N 3.42Å; C181-G185 VanDerWaalsContact O-N 3.1Å
182A97.9Very high96.5Very high0 Ų041.6 Ų41.60%024%0.243CC..Hα-helixtrans-59.4-43.5177.900000112.2L20 A23 A89 I92 L178 L179 L184 G185 I186L20-A182 HydrophobicContact CD1-CB 4.08Å; A23-A182 HydrophobicContact CB-CB 3.86Å; A89-A182 HydrophobicContact CB-CB 4.46Å; I92-A182 HydrophobicContact CD1-CB 3.75Å; L178-A182 PolarHBondContact O-N 2.94Å; L179-A182 WeakPolarHBondContact O-CB 3.17Å; L179-A182 PolarHBondContact O-N 3.28Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 3.36Å; A182-G185 PolarHBondContact O-N 3.49Å; A182-G185 VanDerWaalsContact O-N 3.13Å; A182-I186 WeakPolarHBondContact O-CG1 3.31Å; A182-I186 PolarHBondContact O-N 2.89Å
183V98.2Very high96.3Very high66 Ų6644.7 Ų44.740%0.425%0.249SC..Hα-helixtrans-60.6-41.4176.9172.90000111.5L179 G180 C181 G185 I186 L187L179-V183 WeakPolarHBondContact O-CG2 3.29Å; L179-V183 PolarHBondContact O-N 3.49Å; G180-V183 PolarHBondContact O-N 3.47Å; C181-V183 VanDerWaalsContact C-N 3.33Å; C181-V183 PolarHBondContact O-N 3.12Å; V183-G185 VanDerWaalsContact C-N 3.32Å; V183-G185 PolarHBondContact O-N 3.46Å; V183-I186 WeakPolarHBondContact O-CB 3.42Å; V183-I186 PolarHBondContact O-N 3.45Å; V183-L187 HydrophobicContact CG1-CD1 4.15Å; V183-L187 HydrophobicContact CG1-CG 4.37Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.16Å; V183-L187 PolarHBondContact O-N 3.46Å
184L97.6Very high95.9Very high86 Ų8647.9 Ų47.945%0.4526%0.261SS..Hα-helixtrans-60.2-41.9174.5-67174.9000112F19 G180 C181 A182 L187 L188F19-L184 HydrophobicContact CD1-CB 4.41Å; F19-L184 HydrophobicContact CE1-CD1 4.46Å; F19-L184 HydrophobicContact CG-CB 4.37Å; G180-L184 WeakPolarHBondContact O-CG 3.33Å; G180-L184 PolarHBondContact O-N 3.19Å; C181-L184 WeakPolarHBondContact O-CB 3.46Å; C181-L184 PolarHBondContact O-N 3.11Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 3.36Å; L184-L187 PolarHBondContact O-N 2.86Å; L184-L188 WeakPolarHBondContact O-CG 3.32Å; L184-L188 PolarHBondContact O-N 2.95Å
185G98Very high95.2Very high0 Ų048.8 Ų48.80%027%0.267CS..Hα-helixtrans-59.6-45.3174.200000112.6A16 C181 A182 V183 L187 L188 L189A16-G185 WeakPolarHBondContact O-CA 3.34Å; C181-G185 PolarHBondContact O-N 3.42Å; C181-G185 VanDerWaalsContact O-N 3.1Å; A182-G185 PolarHBondContact O-N 3.49Å; A182-G185 VanDerWaalsContact O-N 3.13Å; V183-G185 VanDerWaalsContact C-N 3.32Å; V183-G185 PolarHBondContact O-N 3.46Å; G185-L187 PolarHBondContact O-N 3.38Å; G185-L188 PolarHBondContact O-N 2.91Å; G185-L189 PolarHBondContact O-N 2.75Å
186I98.3Very high93.5Very high8 Ų854.6 Ų54.64%0.04129%0.294CS..Hα-helixtrans-59.3-47.4176.2-63.3169000110.7L20 S85 F86 A89 A182 V183 L188 L189 F190L20-I186 HydrophobicContact CD1-CG1 4.49Å; S85-I186 WeakPolarHBondContact OG-CG1 3.44Å; F86-I186 HydrophobicContact CD1-CD1 4.14Å; F86-I186 HydrophobicContact CE1-CD1 4.38Å; F86-I186 HydrophobicContact CE1-CG2 4.26Å; F86-I186 HydrophobicContact CE2-CG2 4.01Å; F86-I186 HydrophobicContact CG-CD1 4.5Å; F86-I186 HydrophobicContact CZ-CG2 3.85Å; A89-I186 HydrophobicContact CB-CD1 3.95Å; A182-I186 WeakPolarHBondContact O-CG1 3.31Å; A182-I186 PolarHBondContact O-N 2.89Å; V183-I186 WeakPolarHBondContact O-CB 3.42Å; V183-I186 PolarHBondContact O-N 3.45Å; I186-L188 VanDerWaalsContact C-N 3.29Å; I186-L188 PolarHBondContact O-N 3.49Å; I186-L189 WeakPolarHBondContact O-CB 3.44Å; I186-L189 PolarHBondContact O-N 3.44Å; I186-L189 VanDerWaalsContact O-N 3.14Å; I186-F190 HydrophobicContact CG2-CE2 4.03Å; I186-F190 WeakPolarHBondContact O-CD2 3.26Å
187L98.2Very high91.6Very high103 Ų10356.9 Ų56.954%0.53930%0.295SS..Hα-helixtrans-61.1-37.5179.9-69.1174.5000112.2V183 L184 G185 L189 F190V183-L187 HydrophobicContact CG1-CD1 4.15Å; V183-L187 HydrophobicContact CG1-CG 4.37Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.16Å; V183-L187 PolarHBondContact O-N 3.46Å; L184-L187 PolarHBondContact O-N 2.86Å; G185-L187 PolarHBondContact O-N 3.38Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L187-L189 PolarHBondContact O-N 3.36Å; L187-F190 WeakPolarHBondContact O-CB 3.29Å; L187-F190 PolarHBondContact O-N 3.23Å
188L97.4Very high89.2Confident47 Ų4759.5 Ų59.525%0.24630%0.304CS..Hα-helixtrans-64.6-35.8175.9-73.1171.4000112.7L15 A16 F19 L184 G185 I186 F190 T191L15-L188 HydrophobicContact CB-CD1 4.42Å; A16-L188 HydrophobicContact CB-CB 3.83Å; F19-L188 HydrophobicContact CD2-CD1 3.53Å; F19-L188 HydrophobicContact CE2-CD1 3.78Å; L184-L188 WeakPolarHBondContact O-CG 3.32Å; L184-L188 PolarHBondContact O-N 2.95Å; G185-L188 PolarHBondContact O-N 2.91Å; I186-L188 VanDerWaalsContact C-N 3.29Å; I186-L188 PolarHBondContact O-N 3.49Å; L188-F190 PolarHBondContact O-N 2.96Å; L188-T191 WeakPolarHBondContact O-CB 3.3Å; L188-T191 PolarHBondContact O-N 3.45Å; L188-T191 PolarHBondContact O-OG1 3.44Å
189L97.7Very high86.5Confident1 Ų163.8 Ų63.81%0.00533%0.328CS..Hα-helixtrans-61.4-28.8177.1-66.6174.3000112.6A16 F17 K78 M81 I82 G185 I186 L187 T191 L192A16-L189 HydrophobicContact CB-CD2 3.48Å; A16-L189 VanDerWaalsContact CB-CD2 3.48Å; A16-L189 HydrophobicContact CB-CG 3.75Å; F17-L189 HydrophobicContact CE2-CD2 4.31Å; K78-L189 WeakPolarHBondContact CE-O 3.41Å; M81-L189 HydrophobicContact CB-CD1 4.22Å; M81-L189 HydrophobicContact CB-CD2 4.43Å; I82-L189 HydrophobicContact CD1-CB 4.42Å; I82-L189 HydrophobicContact CG1-CB 3.65Å; I82-L189 HydrophobicContact CG1-CD1 4.38Å; G185-L189 PolarHBondContact O-N 2.75Å; I186-L189 WeakPolarHBondContact O-CB 3.44Å; I186-L189 PolarHBondContact O-N 3.44Å; I186-L189 VanDerWaalsContact O-N 3.14Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L187-L189 PolarHBondContact O-N 3.36Å; L189-T191 PolarHBondContact O-N 2.98Å; L189-L192 HydrophobicContact CB-CD1 4.49Å; L189-L192 HydrophobicContact CD2-CD1 3.76Å; L189-L192 WeakPolarHBondContact O-CB 3.5Å; L189-L192 WeakPolarHBondContact O-CG 3.43Å; L189-L192 PolarHBondContact O-N 3.45Å
190F96.6Very high83.8Confident100 Ų10066.4 Ų66.444%0.43934%0.341SS..THydrogen-bonded Turntrans-64.5-22.4174.5-77.5-86.6000113.1K78 I82 I186 L187 L188 L192K78-F190 WeakPolarHBondContact CE-O 3.38Å; K78-F190 PolarHBondContact NZ-O 3.04Å; I82-F190 HydrophobicContact CD1-CD1 3.92Å; I82-F190 HydrophobicContact CD1-CD2 4.28Å; I82-F190 HydrophobicContact CD1-CE1 3.98Å; I82-F190 HydrophobicContact CD1-CE2 4.34Å; I82-F190 HydrophobicContact CD1-CG 4.08Å; I82-F190 HydrophobicContact CD1-CZ 4.19Å; I82-F190 HydrophobicContact CG2-CE1 4.42Å; I82-F190 HydrophobicContact CG2-CE2 3.88Å; I82-F190 HydrophobicContact CG2-CZ 3.7Å; I186-F190 HydrophobicContact CG2-CE2 4.03Å; I186-F190 WeakPolarHBondContact O-CD2 3.26Å; L187-F190 WeakPolarHBondContact O-CB 3.29Å; L187-F190 PolarHBondContact O-N 3.23Å; L188-F190 PolarHBondContact O-N 2.96Å; F190-L192 VanDerWaalsContact C-N 3.33Å
191T95.7Very high81.4Confident61 Ų6167.6 Ų67.637%0.37434%0.343SS..THydrogen-bonded Turntrans-81.4-11.2179.373.30000113.7I12 L188 L189I12-T191 WeakPolarHBondContact CG2-OG1 3.37Å; L188-T191 WeakPolarHBondContact O-CB 3.3Å; L188-T191 PolarHBondContact O-N 3.45Å; L188-T191 PolarHBondContact O-OG1 3.44Å; L189-T191 PolarHBondContact O-N 2.98Å
192L94.6Very high78.7Confident4 Ų470 Ų702%0.02135%0.35CS..  trans-59.1140.7178.1-69175.6000111.8I12 T13 K78 M81 F124 L189 F190I12-L192 HydrophobicContact CB-CD2 3.89Å; I12-L192 HydrophobicContact CG2-CD2 3.57Å; I12-L192 HydrophobicContact CG2-CG 4.16Å; T13-L192 WeakPolarHBondContact OG1-CD2 3.29Å; K78-L192 HydrophobicContact CD-CB 4.19Å; K78-L192 WeakPolarHBondContact CD-O 3.33Å; K78-L192 WeakPolarHBondContact CE-O 3.44Å; K78-L192 HydrophobicContact CG-CB 4.25Å; K78-L192 PolarHBondContact NZ-O 3.28Å; M81-L192 HydrophobicContact CE-CD1 3.52Å; F124-L192 HydrophobicContact CE1-CD1 4.41Å; F124-L192 HydrophobicContact CE1-CD2 4.08Å; F124-L192 HydrophobicContact CZ-CB 4.38Å; F124-L192 HydrophobicContact CZ-CD1 4.34Å; F124-L192 HydrophobicContact CZ-CD2 4.09Å; L189-L192 HydrophobicContact CB-CD1 4.49Å; L189-L192 HydrophobicContact CD2-CD1 3.76Å; L189-L192 WeakPolarHBondContact O-CB 3.5Å; L189-L192 WeakPolarHBondContact O-CG 3.43Å; L189-L192 PolarHBondContact O-N 3.45Å; F190-L192 VanDerWaalsContact C-N 3.33Å
193R91.7Very high75.7Confident147 Ų14775.5 Ų75.556%0.55538%0.376SS*.  trans-107156.3178.9-62.4176.2-177.5-169.50.7109.5L5 Y8 N9L5-R193 HydrophobicContact CD1-CB 3.8Å; L5-R193 VanDerWaalsContact CD1-CD 3.44Å; L5-R193 HydrophobicContact CD1-CG 4.25Å; Y8-R193 HydrophobicContact CE1-CG 4.12Å; N9-R193 PolarHBondContact ND2-O 3.45Å; N9-R193 PolarHBondContact OD1-N 3.01Å; N9-R193 VanDerWaalsContact OD1-N 3.15Å; N9-R193 PolarHBondContact OD1-O 3.4Å
194K84.8Confident72.8Confident188 Ų18877.7 Ų77.782%0.81738%0.381SS*.  trans-58.5131.2174.4-69.3-173.7178-176.20109.3
195P78.1Confident70.3Confident19 Ų1978 Ų7812%0.12338%0.383CS..  trans-56.1143.4172.6-22.734.1000109.9F124 D127 K197F124-P195 HydrophobicContact CD2-CG 3.72Å; F124-P195 HydrophobicContact CE2-CG 3.53Å; F124-P195 HydrophobicContact CZ-CG 4.26Å; D127-P195 HydrophobicContact CB-CB 3.98Å; D127-P195 HydrophobicContact CB-CG 4.01Å; P195-K197 VanDerWaalsContact C-N 3.32Å; P195-K197 PolarHBondContact O-N 2.92Å
196H61.1Low67.6Low122 Ų12281.1 Ų81.157%0.56540%0.399SS*.  trans-75.693.8167.6-165.449.8000107L5 T198L5-H196 HydrophobicContact CD2-CB 4.37Å; H196-T198 PolarHBondContact O-N 2.66Å
197K55.6Low64.5Low81 Ų8184.1 Ų84.135%0.35242%0.415SS..  trans-57.2126.3165-71.3-171.7172.6-174.10105.7D127 P195 D199 H202D127-K197 VanDerWaalsContact OD2-CE 3.31Å; D127-K197 WeakPolarHBondContact OD2-CE 3.12Å; P195-K197 VanDerWaalsContact C-N 3.32Å; P195-K197 PolarHBondContact O-N 2.92Å; K197-D199 PolarHBondContact O-N 2.94Å; K197-H202 PolarHBondContact NZ-NE2 2.91Å
198T45.2Very low62Low86 Ų8683.6 Ų83.653%0.52842%0.416SS..  trans-65.199.2163.8-45.80000103.8H196 I200 S201H196-T198 PolarHBondContact O-N 2.66Å; T198-I200 HydrophobicContact CG2-CB 4.36Å; T198-I200 HydrophobicContact CG2-CD1 3.85Å; T198-I200 HydrophobicContact CG2-CG1 4.04Å; T198-I200 PolarHBondContact O-N 3.5Å; T198-S201 PolarHBondContact O-N 3.37Å
199D38.9Very low59.3Low95 Ų9587.9 Ų87.951%0.50844%0.435SS..THydrogen-bonded Turntrans-55.2-5.4-170.3-76-43.5000114.1K197 S201 Q203K197-D199 PolarHBondContact O-N 2.94Å; D199-S201 PolarHBondContact O-N 2.92Å; D199-Q203 VanDerWaalsContact O-CB 3.23Å; D199-Q203 WeakPolarHBondContact O-CB 3.49Å; D199-Q203 PolarHBondContact O-N 3.45Å
200I41.5Very low56.4Low101 Ų10192.1 Ų92.152%0.51846%0.456SS..Hα-helixtrans-58.4-40175.4-58.6177.1000111.9T198 Q204T198-I200 HydrophobicContact CG2-CB 4.36Å; T198-I200 HydrophobicContact CG2-CD1 3.85Å; T198-I200 HydrophobicContact CG2-CG1 4.04Å; T198-I200 PolarHBondContact O-N 3.5Å; I200-Q204 HydrophobicContact CG2-CG 4.07Å; I200-Q204 VanDerWaalsContact CG2-NE2 3.33Å; I200-Q204 VanDerWaalsContact CG2-OE1 3.29Å; I200-Q204 WeakPolarHBondContact O-CA 3.46Å; I200-Q204 WeakPolarHBondContact O-CB 3.45Å; I200-Q204 WeakPolarHBondContact O-CG 3.32Å; I200-Q204 PolarHBondContact O-N 3.1Å; I200-Q204 PolarHBondContact O-OE1 2.98Å
201S45.6Very low53.5Low62 Ų6292.6 Ų92.643%0.43446%0.464SS..Hα-helixtrans-79.5-39.8-17455.30000115T198 D199 L205T198-S201 PolarHBondContact O-N 3.37Å; D199-S201 PolarHBondContact O-N 2.92Å; S201-L205 WeakPolarHBondContact O-CB 3.33Å; S201-L205 WeakPolarHBondContact O-CG 3.31Å; S201-L205 PolarHBondContact O-N 3.36Å
202H40.8Very low51.2Low93 Ų9394 Ų9443%0.43148%0.476SS..Hα-helixtrans-71.7-38.7176.1-93.7-74.5000111.7K197 L205 I206K197-H202 PolarHBondContact NZ-NE2 2.91Å; H202-L205 PolarHBondContact O-N 3.29Å; H202-I206 WeakPolarHBondContact O-CB 3.15Å; H202-I206 WeakPolarHBondContact O-CD1 3.3Å; H202-I206 WeakPolarHBondContact O-CG1 3.2Å; H202-I206 PolarHBondContact O-N 3.3Å
203Q34Very low48.5Very low116 Ų11696.5 Ų96.554%0.54249%0.494SS..Hα-helixtrans-77.1-29.3178.6-144.1141.28.300111.5D199 N207D199-Q203 VanDerWaalsContact O-CB 3.23Å; D199-Q203 WeakPolarHBondContact O-CB 3.49Å; D199-Q203 PolarHBondContact O-N 3.45Å; Q203-N207 WeakPolarHBondContact O-CB 3.21Å; Q203-N207 PolarHBondContact O-N 3.45Å; Q203-N207 PolarHBondContact O-ND2 3.5Å; Q203-N207 PolarHBondContact O-OD1 3.09Å
204Q37.5Very low45.9Very low112 Ų11295.3 Ų95.352%0.52350%0.499SS..Hα-helixtrans-72-36.9167.9-76.6173.6-20.200112.9I200 I206 N207 V208I200-Q204 HydrophobicContact CG2-CG 4.07Å; I200-Q204 VanDerWaalsContact CG2-NE2 3.33Å; I200-Q204 VanDerWaalsContact CG2-OE1 3.29Å; I200-Q204 WeakPolarHBondContact O-CA 3.46Å; I200-Q204 WeakPolarHBondContact O-CB 3.45Å; I200-Q204 WeakPolarHBondContact O-CG 3.32Å; I200-Q204 PolarHBondContact O-N 3.1Å; I200-Q204 PolarHBondContact O-OE1 2.98Å; Q204-I206 VanDerWaalsContact C-N 3.34Å; Q204-N207 PolarHBondContact O-N 2.93Å; Q204-V208 WeakPolarHBondContact O-CA 3.48Å; Q204-V208 WeakPolarHBondContact O-CB 3.42Å; Q204-V208 WeakPolarHBondContact O-CG2 3.39Å; Q204-V208 PolarHBondContact O-N 3.21Å
205L45.3Very low43.7Very low92 Ų9293.6 Ų93.648%0.48250%0.498SS..Hα-helixtrans-63.2-44.7173.4-80.2166000110.6S201 H202 V208 E209S201-L205 WeakPolarHBondContact O-CB 3.33Å; S201-L205 WeakPolarHBondContact O-CG 3.31Å; S201-L205 PolarHBondContact O-N 3.36Å; H202-L205 PolarHBondContact O-N 3.29Å; L205-V208 PolarHBondContact O-N 2.98Å; L205-E209 WeakPolarHBondContact O-CB 3.19Å; L205-E209 PolarHBondContact O-N 2.9Å
206I42.2Very low41.6Very low65 Ų65100.1 Ų100.133%0.33353%0.532SS..Hα-helixtrans-61.4-47173.2-67.8165.1000110.6H202 Q204 V208 E209 I210H202-I206 WeakPolarHBondContact O-CB 3.15Å; H202-I206 WeakPolarHBondContact O-CD1 3.3Å; H202-I206 WeakPolarHBondContact O-CG1 3.2Å; H202-I206 PolarHBondContact O-N 3.3Å; Q204-I206 VanDerWaalsContact C-N 3.34Å; I206-V208 PolarHBondContact O-N 2.85Å; I206-E209 PolarHBondContact O-N 3.47Å; I206-I210 HydrophobicContact CG2-CD1 3.55Å; I206-I210 HydrophobicContact CG2-CG1 4.37Å; I206-I210 WeakPolarHBondContact O-CB 3.17Å; I206-I210 WeakPolarHBondContact O-CD1 3.48Å; I206-I210 WeakPolarHBondContact O-CG1 3.36Å; I206-I210 PolarHBondContact O-N 3.02Å
207N32.3Very low40.2Very low72 Ų7298.7 Ų98.739%0.38553%0.528SS..Hα-helixtrans-72-27.9-178.4-68.5-8.3000113.1Q203 Q204 N211Q203-N207 WeakPolarHBondContact O-CB 3.21Å; Q203-N207 PolarHBondContact O-N 3.45Å; Q203-N207 PolarHBondContact O-ND2 3.5Å; Q203-N207 PolarHBondContact O-OD1 3.09Å; Q204-N207 PolarHBondContact O-N 2.93Å; N207-N211 WeakPolarHBondContact O-CB 3.17Å; N207-N211 PolarHBondContact O-N 2.87Å; N207-N211 PolarHBondContact O-ND2 3.29Å; N207-N211 PolarHBondContact O-OD1 2.97Å
208V46.1Very low39.2Very low92 Ų92100.9 Ų100.956%0.55855%0.553SS**Hα-helixtrans-77.3-37.6174.91700000110Q204 L205 I206 I210 S212Q204-V208 WeakPolarHBondContact O-CA 3.48Å; Q204-V208 WeakPolarHBondContact O-CB 3.42Å; Q204-V208 WeakPolarHBondContact O-CG2 3.39Å; Q204-V208 PolarHBondContact O-N 3.21Å; L205-V208 PolarHBondContact O-N 2.98Å; I206-V208 PolarHBondContact O-N 2.85Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-S212 VanDerWaalsContact O-CB 3.24Å; V208-S212 WeakPolarHBondContact O-CB 3.43Å; V208-S212 PolarHBondContact O-N 3.44Å; V208-S212 PolarHBondContact O-OG 3.23Å
209E41.2Very low38.5Very low136 Ų136105.4 Ų105.464%0.63657%0.569SS**Hα-helixtrans-66.1-35.8169.8-99.4165.2157.600112L205 I206 S212 S213L205-E209 WeakPolarHBondContact O-CB 3.19Å; L205-E209 PolarHBondContact O-N 2.9Å; I206-E209 PolarHBondContact O-N 3.47Å; E209-S212 PolarHBondContact O-OG 3.11Å; E209-S213 WeakPolarHBondContact O-CB 3.45Å; E209-S213 PolarHBondContact O-OG 2.88Å
210I36.6Very low38Very low90 Ų90105.9 Ų105.946%0.46257%0.571SS.*Hα-helixtrans-67.5-52.3172.3-68.9165.6000110.6I206 V208 S212 S213I206-I210 HydrophobicContact CG2-CD1 3.55Å; I206-I210 HydrophobicContact CG2-CG1 4.37Å; I206-I210 WeakPolarHBondContact O-CB 3.17Å; I206-I210 WeakPolarHBondContact O-CD1 3.48Å; I206-I210 WeakPolarHBondContact O-CG1 3.36Å; I206-I210 PolarHBondContact O-N 3.02Å; V208-I210 VanDerWaalsContact C-N 3.34Å; I210-S212 VanDerWaalsContact C-N 3.32Å; I210-S212 PolarHBondContact O-N 2.9Å; I210-S213 CarbonylContact O-C 3.58Å; I210-S213 PolarHBondContact O-N 3.44Å; I210-S213 VanDerWaalsContact O-N 3.08Å
211N34.1Very low37.4Very low111 Ų111107 Ų10759%0.59458%0.582SS**Hα-helixtrans-73.6-19.6-174.7-67.8-2.4000113.9N207 S213N207-N211 WeakPolarHBondContact O-CB 3.17Å; N207-N211 PolarHBondContact O-N 2.87Å; N207-N211 PolarHBondContact O-ND2 3.29Å; N207-N211 PolarHBondContact O-OD1 2.97Å; N211-S213 VanDerWaalsContact C-N 3.28Å
212S47.9Very low36.6Very low91 Ų91109 Ų10964%0.63659%0.594SS**THydrogen-bonded Turntrans-83.9-6172.156.40000113.1V208 E209 I210V208-S212 VanDerWaalsContact O-CB 3.24Å; V208-S212 WeakPolarHBondContact O-CB 3.43Å; V208-S212 PolarHBondContact O-N 3.44Å; V208-S212 PolarHBondContact O-OG 3.23Å; E209-S212 PolarHBondContact O-OG 3.11Å; I210-S212 VanDerWaalsContact C-N 3.32Å; I210-S212 PolarHBondContact O-N 2.9Å
213S38Very low35.9Very low56 Ų56111 Ų11139%0.39261%0.608SS.*  trans-120.527.6-176.9-44.50000112.4E209 I210 N211 D215E209-S213 WeakPolarHBondContact O-CB 3.45Å; E209-S213 PolarHBondContact O-OG 2.88Å; I210-S213 CarbonylContact O-C 3.58Å; I210-S213 PolarHBondContact O-N 3.44Å; I210-S213 VanDerWaalsContact O-N 3.08Å; N211-S213 VanDerWaalsContact C-N 3.28Å; S213-D215 PolarHBondContact O-N 3.3Å; S213-D215 VanDerWaalsContact O-N 3.07Å
214D36.3Very low35.4Very low122 Ų122114.7 Ų114.765%0.65262%0.618SS**  trans-76.820.4-178.6-102.4-15.7000114.7
215D39Very low35.1Very low151 Ų151114 Ų11481%0.80762%0.623SS**SBendtrans-117.796.2162.3-81-35.6000109.5S213S213-D215 PolarHBondContact O-N 3.3Å; S213-D215 VanDerWaalsContact O-N 3.07Å
216N35.2Very low34.5Very low156 Ų156115.9 Ų115.983%0.83464%0.639SS**SBendtrans75.544.9162.3-59.1-43.6000120.2
217L32Very low34.5Very low93 Ų93117.7 Ų117.749%0.48765%0.648SS.*  trans-126.345.1173.2-137.968.7000116.4Q219 L220L217-Q219 PolarHBondContact O-N 3.19Å; L217-Q219 VanDerWaalsContact O-N 3.11Å; L217-L220 HydrophobicContact CD1-CD1 3.32Å; L217-L220 HydrophobicContact CD1-CG 4.48Å; L217-L220 HydrophobicContact CD2-CB 3.68Å; L217-L220 HydrophobicContact CD2-CD1 3.71Å; L217-L220 HydrophobicContact CD2-CG 4.29Å; L217-L220 HydrophobicContact CG-CB 3.79Å; L217-L220 HydrophobicContact CG-CD1 3.57Å; L217-L220 HydrophobicContact CG-CG 4.28Å; L217-L220 PolarHBondContact O-N 2.84Å
218S33.7Very low34.9Very low126 Ų126122.9 Ų122.988%0.88167%0.67SS**THydrogen-bonded Turntrans-69.47.5162.852.40000114.2
219Q30.8Very low35Very low182 Ų182124 Ų12485%0.8567%0.673SS**THydrogen-bonded Turntrans-116.81.7175.1-72.2-168.5-5.100115.2L217L217-Q219 PolarHBondContact O-N 3.19Å; L217-Q219 VanDerWaalsContact O-N 3.11Å
220L29Very low35.4Very low105 Ų105128.4 Ų128.455%0.5568%0.684SS.*  trans-127.175.7167.2-69.7119.2000109.2L217 P222L217-L220 HydrophobicContact CD1-CD1 3.32Å; L217-L220 HydrophobicContact CD1-CG 4.48Å; L217-L220 HydrophobicContact CD2-CB 3.68Å; L217-L220 HydrophobicContact CD2-CD1 3.71Å; L217-L220 HydrophobicContact CD2-CG 4.29Å; L217-L220 HydrophobicContact CG-CB 3.79Å; L217-L220 HydrophobicContact CG-CD1 3.57Å; L217-L220 HydrophobicContact CG-CG 4.28Å; L217-L220 PolarHBondContact O-N 2.84Å; L220-P222 VanDerWaalsContact C-N 3.35Å; L220-P222 WeakPolarHBondContact O-CD 3.43Å
221T26.9Very low36.4Very low124 Ų124127.2 Ų127.276%0.76168%0.683SS**  trans-74.296.3135.548.10000104.9D223T221-D223 VanDerWaalsContact C-N 3.32Å; T221-D223 PolarHBondContact O-N 2.8Å
222P29.8Very low38.2Very low105 Ų105123.8 Ų123.868%0.68267%0.666SS**  trans-66.9110.7165.211.25.8000103.8L220 Y224L220-P222 VanDerWaalsContact C-N 3.35Å; L220-P222 WeakPolarHBondContact O-CD 3.43Å; P222-Y224 PolarHBondContact O-N 2.86Å; P222-Y224 VanDerWaalsContact O-N 3.13Å
223D25.7Very low39.5Very low135 Ų135122.3 Ų122.372%0.72265%0.653SS**  trans-34.1124.6159.4-73.7-49000107.7T221 P225T221-D223 VanDerWaalsContact C-N 3.32Å; T221-D223 PolarHBondContact O-N 2.8Å; D223-P225 WeakPolarHBondContact O-CD 3.34Å
224Y24.5Very low41.4Very low192 Ų192126.3 Ų126.375%0.75366%0.664SS**  trans-38.4118.5162-87.9-93.3000106.2P222 T226P222-Y224 PolarHBondContact O-N 2.86Å; P222-Y224 VanDerWaalsContact O-N 3.13Å; Y224-T226 VanDerWaalsContact C-N 3.28Å; Y224-T226 PolarHBondContact O-N 2.97Å
225P31.2Very low43.5Very low98 Ų98126.7 Ų126.764%0.63666%0.662SS**  trans-61.7101.9-173.719.4-29.1000107.3D223 I227D223-P225 WeakPolarHBondContact O-CD 3.34Å; P225-I227 WeakPolarHBondContact O-CG1 3.37Å; P225-I227 PolarHBondContact O-N 3.33Å
226T31.6Very low45.3Very low131 Ų131121.1 Ų121.180%0.80464%0.635SS**  trans-61.499.5157.817.10000103.9Y224 Q228Y224-T226 VanDerWaalsContact C-N 3.28Å; Y224-T226 PolarHBondContact O-N 2.97Å; T226-Q228 PolarHBondContact O-N 3.37Å
227I42Very low47.5Very low104 Ų104115.2 Ų115.253%0.53360%0.604SS.*SBendtrans-61.2102.1-169.6-59.3168.2000108.8Y74 P225Y74-I227 HydrophobicContact CD1-CD1 4.01Å; Y74-I227 HydrophobicContact CE1-CD1 3.98Å; Y74-I227 HydrophobicContact CE1-CG2 3.95Å; P225-I227 WeakPolarHBondContact O-CG1 3.37Å; P225-I227 PolarHBondContact O-N 3.33Å
228Q40.7Very low49.8Very low181 Ų181113.6 Ų113.685%0.84660%0.596SS**  trans-145-10.4164.6-125.8160.5-3.400116.2T226T226-Q228 PolarHBondContact O-N 3.37Å
229D48Very low52.2Low114 Ų114111 Ų11161%0.6157%0.57SS**  trans-90.3121.3178.4-80.6-24.3000113S231 T232D229-S231 PolarHBondContact O-N 2.68Å; D229-T232 HydrophobicContact CB-CG2 4.1Å; D229-T232 WeakPolarHBondContact O-CB 2.91Å; D229-T232 PolarHBondContact O-N 3.48Å; D229-T232 PolarHBondContact O-OG1 3.29Å
230R50.7Low54.7Low230 Ų230103 Ų10387%0.86853%0.533SS*.Hα-helixtrans-51.3-28.8174.9-75.7-177.5175.5-176.5-0.8113.6T232 V233 F234R230-T232 VanDerWaalsContact C-N 3.26Å; R230-T232 PolarHBondContact O-N 3.44Å; R230-V233 PolarHBondContact O-N 2.97Å; R230-F234 PolarHBondContact O-N 3.4Å
231S58.3Low57.5Low65 Ų65100 Ų10046%0.45552%0.518SS..Hα-helixtrans-59.8-36.7174.956.80000111.8D229 Q235D229-S231 PolarHBondContact O-N 2.68Å; S231-Q235 WeakPolarHBondContact O-CB 3.22Å; S231-Q235 WeakPolarHBondContact O-CG 3.09Å; S231-Q235 PolarHBondContact O-N 3.07Å
232T71.9Confident60.5Low38 Ų38102.1 Ų102.123%0.23351%0.512CS..Hα-helixtrans-69.8-36.8-179.868.20000112.3D229 R230 S236D229-T232 HydrophobicContact CB-CG2 4.1Å; D229-T232 WeakPolarHBondContact O-CB 2.91Å; D229-T232 PolarHBondContact O-N 3.48Å; D229-T232 PolarHBondContact O-OG1 3.29Å; R230-T232 VanDerWaalsContact C-N 3.26Å; R230-T232 PolarHBondContact O-N 3.44Å; T232-S236 WeakPolarHBondContact O-CB 3.32Å; T232-S236 PolarHBondContact O-N 3.09Å; T232-S236 PolarHBondContact O-OG 2.86Å
233V75.4Confident63.2Low60 Ų60101.7 Ų101.736%0.36450%0.497SS..Hα-helixtrans-68.5-46.8179-178.10000111Y74 R230 S236 T237Y74-V233 HydrophobicContact CE2-CG1 4.28Å; Y74-V233 WeakPolarHBondContact OH-CA 3.01Å; R230-V233 PolarHBondContact O-N 2.97Å; V233-S236 PolarHBondContact O-N 3.38Å; V233-T237 WeakPolarHBondContact O-CB 3.45Å; V233-T237 PolarHBondContact O-N 3.4Å; V233-T237 PolarHBondContact O-OG1 3.32Å
234F76.5Confident66.3Low141 Ų14195.4 Ų95.462%0.61846%0.463SS*.Hα-helixtrans-62.8-45.2177.2179.7-101.9000111.3R230 S236 T237 L238R230-F234 PolarHBondContact O-N 3.4Å; F234-S236 PolarHBondContact O-N 3.29Å; F234-T237 PolarHBondContact O-N 3.31Å; F234-L238 HydrophobicContact CE1-CD2 4.25Å; F234-L238 WeakPolarHBondContact O-CB 3.3Å; F234-L238 PolarHBondContact O-N 3.25Å
235Q79.8Confident69.5Low129 Ų12989.7 Ų89.760%0.60345%0.448SS*.Hα-helixtrans-62.4-42.1176.7-75176.5-2.800112.2S231 L238 H239S231-Q235 WeakPolarHBondContact O-CB 3.22Å; S231-Q235 WeakPolarHBondContact O-CG 3.09Å; S231-Q235 PolarHBondContact O-N 3.07Å; Q235-L238 PolarHBondContact O-N 2.84Å; Q235-H239 VanDerWaalsContact O-CB 3.23Å; Q235-H239 WeakPolarHBondContact O-CB 3.16Å; Q235-H239 PolarHBondContact O-N 3.49Å
236S78.3Confident72.3Confident35 Ų3591.4 Ų91.425%0.24545%0.446CS..Hα-helixtrans-64.2-41.6176.8-620000111.7T232 V233 F234 H239 S240T232-S236 WeakPolarHBondContact O-CB 3.32Å; T232-S236 PolarHBondContact O-N 3.09Å; T232-S236 PolarHBondContact O-OG 2.86Å; V233-S236 PolarHBondContact O-N 3.38Å; F234-S236 PolarHBondContact O-N 3.29Å; S236-H239 PolarHBondContact O-N 2.97Å; S236-S240 WeakPolarHBondContact O-CB 3.43Å; S236-S240 PolarHBondContact O-N 3.35Å; S236-S240 PolarHBondContact O-OG 3.31Å; S236-S240 VanDerWaalsContact O-OG 3.09Å
237T80.6Confident75.1Confident31 Ų3185.7 Ų85.719%0.1941%0.41CS..Hα-helixtrans-62.3-50.7176.2-59.70000110.9I70 V233 F234 H239 S240 L241I70-T237 HydrophobicContact CD1-CG2 3.48Å; I70-T237 VanDerWaalsContact CD1-CG2 3.48Å; V233-T237 WeakPolarHBondContact O-CB 3.45Å; V233-T237 PolarHBondContact O-N 3.4Å; V233-T237 PolarHBondContact O-OG1 3.32Å; F234-T237 PolarHBondContact O-N 3.31Å; T237-H239 VanDerWaalsContact C-N 3.32Å; T237-H239 PolarHBondContact O-N 3.42Å; T237-S240 PolarHBondContact O-N 2.81Å; T237-L241 HydrophobicContact CG2-CD1 4.04Å; T237-L241 WeakPolarHBondContact O-CG 3.15Å; T237-L241 PolarHBondContact O-N 3.41Å
238L81Confident77.5Confident59 Ų5983.3 Ų83.331%0.30940%0.398SS..Hα-helixtrans-62.2-40.2178.9-176.861.3000111.7F234 Q235 R242F234-L238 HydrophobicContact CE1-CD2 4.25Å; F234-L238 WeakPolarHBondContact O-CB 3.3Å; F234-L238 PolarHBondContact O-N 3.25Å; Q235-L238 PolarHBondContact O-N 2.84Å; L238-R242 HydrophobicContact CD1-CG 4.43Å; L238-R242 WeakPolarHBondContact O-CB 3.43Å; L238-R242 VanDerWaalsContact O-CG 3.24Å; L238-R242 WeakPolarHBondContact O-CG 3.28Å; L238-R242 PolarHBondContact O-N 2.87Å
239H82.9Confident79.9Confident73 Ų7379.3 Ų79.334%0.33839%0.386SS..Hα-helixtrans-64.3-46.1176.5-179.9-96.4000111.5Q235 S236 T237 R242 R243Q235-H239 VanDerWaalsContact O-CB 3.23Å; Q235-H239 WeakPolarHBondContact O-CB 3.16Å; Q235-H239 PolarHBondContact O-N 3.49Å; S236-H239 PolarHBondContact O-N 2.97Å; T237-H239 VanDerWaalsContact C-N 3.32Å; T237-H239 PolarHBondContact O-N 3.42Å; H239-R242 PolarHBondContact O-N 2.93Å; H239-R243 PolarHBondContact NE2-NE 2.84Å; H239-R243 WeakPolarHBondContact O-CB 3.41Å; H239-R243 VanDerWaalsContact O-CG 3.25Å; H239-R243 WeakPolarHBondContact O-CG 3.25Å; H239-R243 PolarHBondContact O-N 3.48Å
240S83.1Confident82Confident12 Ų1276 Ų768%0.08437%0.371CS..Hα-helixtrans-60.6-45.9176.2-67.10000111.9S236 T237 R243 S244S236-S240 WeakPolarHBondContact O-CB 3.43Å; S236-S240 PolarHBondContact O-N 3.35Å; S236-S240 PolarHBondContact O-OG 3.31Å; S236-S240 VanDerWaalsContact O-OG 3.09Å; T237-S240 PolarHBondContact O-N 2.81Å; S240-R243 WeakPolarHBondContact O-CB 3.37Å; S240-R243 PolarHBondContact O-N 3.4Å; S240-S244 PolarHBondContact O-N 2.96Å; S240-S244 PolarHBondContact O-OG 3.28Å; S240-S244 VanDerWaalsContact O-OG 3.13Å
241L89.3Confident83.9Confident43 Ų4373.4 Ų73.423%0.22537%0.365CS..Hα-helixtrans-63.6-43.4177-70.1172.8000112.3W66 F67 T237 R243 S244 V245W66-L241 HydrophobicContact CB-CD2 4.14Å; W66-L241 HydrophobicContact CE3-CD2 4.13Å; W66-L241 WeakPolarHBondContact O-CD2 3.44Å; F67-L241 HydrophobicContact CE1-CD1 4.27Å; T237-L241 HydrophobicContact CG2-CD1 4.04Å; T237-L241 WeakPolarHBondContact O-CG 3.15Å; T237-L241 PolarHBondContact O-N 3.41Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 2.92Å; L241-S244 WeakPolarHBondContact O-CB 3.4Å; L241-S244 PolarHBondContact O-N 3.46Å; L241-V245 WeakPolarHBondContact O-CG2 3.27Å; L241-V245 PolarHBondContact O-N 2.76Å
242R89.1Confident85.5Confident169 Ų16972.5 Ų72.564%0.63836%0.358SS*.Hα-helixtrans-60.4-39.5174.5-77.6175.7178.1-179.3-0111.6L238 H239 V245 K246L238-R242 HydrophobicContact CD1-CG 4.43Å; L238-R242 WeakPolarHBondContact O-CB 3.43Å; L238-R242 VanDerWaalsContact O-CG 3.24Å; L238-R242 WeakPolarHBondContact O-CG 3.28Å; L238-R242 PolarHBondContact O-N 2.87Å; H239-R242 PolarHBondContact O-N 2.93Å; R242-V245 PolarHBondContact O-N 3.38Å; R242-K246 WeakPolarHBondContact O-CB 3.5Å; R242-K246 PolarHBondContact O-N 2.76Å
243R86.4Confident86.6Confident96 Ų9670.7 Ų70.736%0.36235%0.347SS..Hα-helixtrans-65.7-43.5174.9-72.5-74179.1166.31.1111.5H239 S240 L241 V245 K246 I247H239-R243 PolarHBondContact NE2-NE 2.84Å; H239-R243 WeakPolarHBondContact O-CB 3.41Å; H239-R243 VanDerWaalsContact O-CG 3.25Å; H239-R243 WeakPolarHBondContact O-CG 3.25Å; H239-R243 PolarHBondContact O-N 3.48Å; S240-R243 WeakPolarHBondContact O-CB 3.37Å; S240-R243 PolarHBondContact O-N 3.4Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 2.92Å; R243-V245 PolarHBondContact O-N 2.86Å; R243-K246 PolarHBondContact O-N 2.87Å; R243-I247 WeakPolarHBondContact O-CG1 3.27Å; R243-I247 PolarHBondContact O-N 3.42Å
244S90.9Very high87.5Confident2 Ų271.9 Ų71.91%0.01435%0.35CS..Hα-helixtrans-56.1-48.3173.1-61.20000111.8S240 L241 K246 I247 L248 V398S240-S244 PolarHBondContact O-N 2.96Å; S240-S244 PolarHBondContact O-OG 3.28Å; S240-S244 VanDerWaalsContact O-OG 3.13Å; L241-S244 WeakPolarHBondContact O-CB 3.4Å; L241-S244 PolarHBondContact O-N 3.46Å; S244-K246 PolarHBondContact O-N 3.15Å; S244-I247 PolarHBondContact O-N 3.3Å; S244-L248 WeakPolarHBondContact O-CB 3.14Å; S244-L248 PolarHBondContact O-N 3.35Å; S244-V398 WeakPolarHBondContact OG-CG1 3.34Å
245V92.3Very high88.4Confident73 Ų7366.2 Ų66.244%0.44233%0.328SS..Hα-helixtrans-62.1-43.6177174.30000111.4W66 L241 R242 R243 I247 L248 T249W66-V245 HydrophobicContact CZ3-CG2 4.14Å; L241-V245 WeakPolarHBondContact O-CG2 3.27Å; L241-V245 PolarHBondContact O-N 2.76Å; R242-V245 PolarHBondContact O-N 3.38Å; R243-V245 PolarHBondContact O-N 2.86Å; V245-I247 PolarHBondContact O-N 3.1Å; V245-L248 WeakPolarHBondContact O-CB 3.48Å; V245-L248 PolarHBondContact O-N 2.99Å; V245-T249 WeakPolarHBondContact O-CG2 3.09Å; V245-T249 PolarHBondContact O-N 2.89Å
246K90.4Very high89.2Confident133 Ų13360.1 Ų60.158%0.57830%0.299SS*.Hα-helixtrans-60.7-47.8177.3-174.3177.7179.2179.60111.5R242 R243 S244 T249R242-K246 WeakPolarHBondContact O-CB 3.5Å; R242-K246 PolarHBondContact O-N 2.76Å; R243-K246 PolarHBondContact O-N 2.87Å; S244-K246 PolarHBondContact O-N 3.15Å; K246-T249 PolarHBondContact O-N 3.15Å; K246-T249 PolarHBondContact O-OG1 3.11Å
247I89.8Confident90Very high11 Ų1159.1 Ų59.16%0.05629%0.291CS..Hα-helixtrans-66-39.7179.8-69.6173.1000110.9R243 S244 V245 T249 T250 M253 Y389 D395 V398 L402R243-I247 WeakPolarHBondContact O-CG1 3.27Å; R243-I247 PolarHBondContact O-N 3.42Å; S244-I247 PolarHBondContact O-N 3.3Å; V245-I247 PolarHBondContact O-N 3.1Å; I247-T249 PolarHBondContact O-N 3Å; I247-T250 WeakPolarHBondContact O-CB 3.16Å; I247-T250 PolarHBondContact O-N 2.75Å; I247-T250 PolarHBondContact O-OG1 3.31Å; I247-M253 HydrophobicContact CG2-CB 4.25Å; I247-M253 HydrophobicContact CG2-CE 3.5Å; I247-M253 HydrophobicContact CG2-CG 4.02Å; I247-M253 WeakPolarHBondContact O-CB 3.31Å; I247-Y389 HydrophobicContact CD1-CE1 4.48Å; I247-Y389 HydrophobicContact CG1-CE1 4.45Å; I247-Y389 HydrophobicContact CG2-CE1 3.96Å; I247-D395 HydrophobicContact CD1-CB 3.86Å; I247-V398 HydrophobicContact CB-CG1 4.49Å; I247-V398 HydrophobicContact CD1-CB 4.17Å; I247-V398 HydrophobicContact CD1-CG1 3.77Å; I247-L402 HydrophobicContact CB-CD1 4.13Å; I247-L402 HydrophobicContact CG2-CD1 3.81Å
248L91.8Very high90.8Very high54 Ų5459.9 Ų59.928%0.28330%0.296SS..Hα-helixtrans-53.4-36.9175.7-171.980.7000112.2W66 S244 V245 T250 I254 L257 L402W66-L248 HydrophobicContact CH2-CD2 4.33Å; S244-L248 WeakPolarHBondContact O-CB 3.14Å; S244-L248 PolarHBondContact O-N 3.35Å; V245-L248 WeakPolarHBondContact O-CB 3.48Å; V245-L248 PolarHBondContact O-N 2.99Å; L248-T250 VanDerWaalsContact C-N 3.29Å; L248-T250 PolarHBondContact O-N 2.9Å; L248-I254 VanDerWaalsContact O-CG1 3.26Å; L248-I254 WeakPolarHBondContact O-CG1 3.43Å; L248-L257 HydrophobicContact CD1-CD1 3.35Å; L248-L257 HydrophobicContact CG-CD1 4.5Å; L248-L402 HydrophobicContact CB-CD1 4.39Å; L248-L402 HydrophobicContact CD1-CD2 3.98Å
249T90.9Very high91.5Very high97 Ų9757 Ų5760%0.59528%0.281SS*.THydrogen-bonded Turntrans-79.5-5.4-179.9630000114.6V245 K246 I247V245-T249 WeakPolarHBondContact O-CG2 3.09Å; V245-T249 PolarHBondContact O-N 2.89Å; K246-T249 PolarHBondContact O-N 3.15Å; K246-T249 PolarHBondContact O-OG1 3.11Å; I247-T249 PolarHBondContact O-N 3Å
250T92Very high92.2Very high46 Ų4653.6 Ų53.628%0.28227%0.265SS..SBendtrans-77.7139-179.566.80000111.3I247 L248 M253 I254 Y389I247-T250 WeakPolarHBondContact O-CB 3.16Å; I247-T250 PolarHBondContact O-N 2.75Å; I247-T250 PolarHBondContact O-OG1 3.31Å; L248-T250 VanDerWaalsContact C-N 3.29Å; L248-T250 PolarHBondContact O-N 2.9Å; T250-M253 PolarHBondContact O-N 3.49Å; T250-M253 VanDerWaalsContact O-N 3.11Å; T250-M253 VanDerWaalsContact OG1-CB 3.24Å; T250-M253 WeakPolarHBondContact OG1-CB 3.29Å; T250-I254 WeakPolarHBondContact O-CG1 3.16Å; T250-I254 PolarHBondContact O-N 3Å; T250-Y389 PolarHBondContact OG1-OH 3.39Å
251K91.3Very high92.9Very high175 Ų17553.4 Ų53.476%0.76127%0.265SS*.Hα-helixtrans-52.3-46.7-179.9-66.8-177.7178.8-176.60113.6M253 I254 C255K251-M253 VanDerWaalsContact C-N 3.35Å; K251-M253 PolarHBondContact O-N 3.03Å; K251-I254 PolarHBondContact O-N 2.65Å; K251-C255 PolarHBondContact O-N 3.46Å
252P92.1Very high93.3Very high46 Ų4651.4 Ų51.430%0.29925%0.254SS..Hα-helixtrans-62-42178.4-22.234.7000112.4C255 I256 I388 V444P252-C255 PolarHBondContact O-N 2.94Å; P252-I256 VanDerWaalsContact O-CG1 3.27Å; P252-I256 WeakPolarHBondContact O-CG1 3.18Å; P252-I256 PolarHBondContact O-N 3.14Å; P252-I388 HydrophobicContact CB-CD1 4.13Å; P252-V444 HydrophobicContact CB-CG1 4.28Å
253M94Very high93.7Very high0 Ų043.4 Ų43.40%022%0.224CC..Hα-helixtrans-65.3-45.1178.6-173.355.467.500111.4I247 T250 K251 C255 I256 L257 Y389 L402I247-M253 HydrophobicContact CG2-CB 4.25Å; I247-M253 HydrophobicContact CG2-CE 3.5Å; I247-M253 HydrophobicContact CG2-CG 4.02Å; I247-M253 WeakPolarHBondContact O-CB 3.31Å; T250-M253 PolarHBondContact O-N 3.49Å; T250-M253 VanDerWaalsContact O-N 3.11Å; T250-M253 VanDerWaalsContact OG1-CB 3.24Å; T250-M253 WeakPolarHBondContact OG1-CB 3.29Å; K251-M253 VanDerWaalsContact C-N 3.35Å; K251-M253 PolarHBondContact O-N 3.03Å; M253-C255 VanDerWaalsContact C-N 3.29Å; M253-C255 PolarHBondContact O-N 3.49Å; M253-I256 CarbonylContact O-C 3.6Å; M253-I256 WeakPolarHBondContact O-CB 3.39Å; M253-I256 PolarHBondContact O-N 2.59Å; M253-I256 VanDerWaalsContact O-N 3.08Å; M253-I256 HydrophobicContact SD-CB 4.46Å; M253-I256 HydrophobicContact SD-CG2 4.33Å; M253-L257 HydrophobicContact CG-CD1 3.83Å; M253-L257 HydrophobicContact CG-CG 4.06Å; M253-L257 VanDerWaalsContact O-CG 3.23Å; M253-L257 WeakPolarHBondContact O-CG 3.41Å; M253-L257 PolarHBondContact O-N 3.03Å; M253-L257 HydrophobicContact SD-CD1 4.24Å; M253-L257 HydrophobicContact SD-CD2 4.02Å; M253-L257 HydrophobicContact SD-CG 3.93Å; M253-Y389 HydrophobicContact CE-CD2 4.2Å; M253-Y389 HydrophobicContact CE-CE2 3.41Å; M253-Y389 VanDerWaalsContact CE-CE2 3.41Å; M253-L402 HydrophobicContact CE-CD1 4.42Å; M253-L402 HydrophobicContact CG-CD1 4.2Å; M253-L402 HydrophobicContact SD-CB 4.27Å; M253-L402 HydrophobicContact SD-CD1 4.34Å
254I95.6Very high94.2Very high84 Ų8438.8 Ų38.843%0.43121%0.206SC..Hα-helixtrans-54.6-47.7177.4-66.5169.2000110.6L248 T250 K251 I256 L257 V258L248-I254 VanDerWaalsContact O-CG1 3.26Å; L248-I254 WeakPolarHBondContact O-CG1 3.43Å; T250-I254 WeakPolarHBondContact O-CG1 3.16Å; T250-I254 PolarHBondContact O-N 3Å; K251-I254 PolarHBondContact O-N 2.65Å; I254-I256 PolarHBondContact O-N 3.47Å; I254-L257 PolarHBondContact O-N 2.91Å; I254-V258 WeakPolarHBondContact O-CG2 3.33Å; I254-V258 PolarHBondContact O-N 3.28Å
255C95.6Very high94.5Very high23 Ų2339 Ų3916%0.15521%0.207CC..Hα-helixtrans-62.9-41.7177.1-71.70000112.8K251 P252 M253 L257 V258 A259 C440 S443 V444K251-C255 PolarHBondContact O-N 3.46Å; P252-C255 PolarHBondContact O-N 2.94Å; M253-C255 VanDerWaalsContact C-N 3.29Å; M253-C255 PolarHBondContact O-N 3.49Å; C255-L257 VanDerWaalsContact C-N 3.29Å; C255-L257 PolarHBondContact O-N 3.46Å; C255-V258 PolarHBondContact O-N 2.93Å; C255-A259 PolarHBondContact O-N 3.09Å; C255-C440 HydrophobicContact CB-CB 3.78Å; C255-C440 WeakPolarHBondContact O-CB 3.42Å; C255-S443 PolarHBondContact SG-OG 3.45Å; C255-S443 VanDerWaalsContact SG-OG 3.42Å; C255-V444 HydrophobicContact CB-CG2 3.29Å
256I95Very high94.8Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-59.8-40.9174.2-73.6166000110.8P252 M253 I254 A259 A260 I381 L384 I385 I388P252-I256 VanDerWaalsContact O-CG1 3.27Å; P252-I256 WeakPolarHBondContact O-CG1 3.18Å; P252-I256 PolarHBondContact O-N 3.14Å; M253-I256 CarbonylContact O-C 3.6Å; M253-I256 WeakPolarHBondContact O-CB 3.39Å; M253-I256 PolarHBondContact O-N 2.59Å; M253-I256 VanDerWaalsContact O-N 3.08Å; M253-I256 HydrophobicContact SD-CB 4.46Å; M253-I256 HydrophobicContact SD-CG2 4.33Å; I254-I256 PolarHBondContact O-N 3.47Å; I256-A259 WeakPolarHBondContact O-CB 3.31Å; I256-A259 PolarHBondContact O-N 3.47Å; I256-A260 WeakPolarHBondContact O-CB 3.27Å; I256-A260 PolarHBondContact O-N 2.93Å; I256-I381 HydrophobicContact CG2-CG2 3.79Å; I256-L384 HydrophobicContact CD1-CD2 4.03Å; I256-L384 HydrophobicContact CD1-CG 4.13Å; I256-L384 HydrophobicContact CG1-CD2 3.89Å; I256-I385 HydrophobicContact CD1-CG1 4.16Å; I256-I385 HydrophobicContact CG2-CD1 4.1Å; I256-I385 HydrophobicContact CG2-CG1 4.19Å; I256-I388 HydrophobicContact CD1-CD1 4.24Å
257L96.4Very high95Very high14 Ų1429.9 Ų29.97%0.07316%0.162CC..Hα-helixtrans-72.7-32.2-178.4-64.9178000113L248 M253 I254 C255 A259 A260 A261 L402 V406L248-L257 HydrophobicContact CD1-CD1 3.35Å; L248-L257 HydrophobicContact CG-CD1 4.5Å; M253-L257 HydrophobicContact CG-CD1 3.83Å; M253-L257 HydrophobicContact CG-CG 4.06Å; M253-L257 VanDerWaalsContact O-CG 3.23Å; M253-L257 WeakPolarHBondContact O-CG 3.41Å; M253-L257 PolarHBondContact O-N 3.03Å; M253-L257 HydrophobicContact SD-CD1 4.24Å; M253-L257 HydrophobicContact SD-CD2 4.02Å; M253-L257 HydrophobicContact SD-CG 3.93Å; I254-L257 PolarHBondContact O-N 2.91Å; C255-L257 VanDerWaalsContact C-N 3.29Å; C255-L257 PolarHBondContact O-N 3.46Å; L257-A259 VanDerWaalsContact C-N 3.31Å; L257-A260 WeakPolarHBondContact O-CB 3.3Å; L257-A260 PolarHBondContact O-N 2.95Å; L257-A261 PolarHBondContact O-N 3.41Å; L257-L402 HydrophobicContact CD2-CB 4.19Å; L257-L402 WeakPolarHBondContact CD2-O 3.45Å; L257-V406 HydrophobicContact CB-CG1 4.42Å; L257-V406 HydrophobicContact CB-CG2 4.25Å; L257-V406 HydrophobicContact CD1-CG2 4.17Å; L257-V406 HydrophobicContact CD2-CB 4.02Å; L257-V406 HydrophobicContact CD2-CG2 3.76Å; L257-V406 HydrophobicContact CG-CG2 4.25Å; L257-V406 WeakPolarHBondContact O-CG1 3.46Å
258V96.9Very high95.3Very high47 Ų4729.4 Ų29.429%0.28516%0.16SC..Hα-helixtrans-62.8-41.8169.71750000110.5I254 C255 A261 F262 C440I254-V258 WeakPolarHBondContact O-CG2 3.33Å; I254-V258 PolarHBondContact O-N 3.28Å; C255-V258 PolarHBondContact O-N 2.93Å; V258-A261 WeakPolarHBondContact O-CB 3.12Å; V258-A261 PolarHBondContact O-N 3.46Å; V258-F262 PolarHBondContact O-N 3.17Å; V258-C440 HydrophobicContact CB-CB 4.19Å; V258-C440 HydrophobicContact CG1-CB 4.33Å
259A96.3Very high95.4Very high0 Ų026.9 Ų26.90%015%0.146CC..Hα-helixtrans-67.7-36.5174.400000112.5C255 I256 L257 A261 F262 T263 W377 I381 L441C255-A259 PolarHBondContact O-N 3.09Å; I256-A259 WeakPolarHBondContact O-CB 3.31Å; I256-A259 PolarHBondContact O-N 3.47Å; L257-A259 VanDerWaalsContact C-N 3.31Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 2.79Å; A259-F262 WeakPolarHBondContact O-CB 3.23Å; A259-F262 PolarHBondContact O-N 3.04Å; A259-T263 PolarHBondContact O-N 2.84Å; A259-W377 HydrophobicContact CB-CE3 4.39Å; A259-W377 HydrophobicContact CB-CZ3 4.19Å; A259-I381 HydrophobicContact CB-CD1 3.93Å; A259-L441 HydrophobicContact CB-CD1 3.71Å; A259-L441 HydrophobicContact CB-CD2 3.78Å; A259-L441 HydrophobicContact CB-CG 3.53Å
260A96.7Very high95.5Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-60.8-38.2173.500000112.4I256 L257 F262 T263 G264 F403 V406 Q407I256-A260 WeakPolarHBondContact O-CB 3.27Å; I256-A260 PolarHBondContact O-N 2.93Å; L257-A260 WeakPolarHBondContact O-CB 3.3Å; L257-A260 PolarHBondContact O-N 2.95Å; A260-F262 VanDerWaalsContact C-N 3.33Å; A260-F262 PolarHBondContact O-N 3.43Å; A260-T263 WeakPolarHBondContact CA-OG1 3.24Å; A260-T263 PolarHBondContact O-N 3.17Å; A260-T263 PolarHBondContact O-OG1 2.94Å; A260-G264 PolarHBondContact O-N 2.9Å; A260-F403 HydrophobicContact CB-CD2 3.46Å; A260-F403 VanDerWaalsContact CB-CD2 3.46Å; A260-F403 HydrophobicContact CB-CE2 3.77Å; A260-V406 HydrophobicContact CB-CB 4.41Å; A260-V406 HydrophobicContact CB-CG1 4.36Å; A260-Q407 HydrophobicContact CB-CB 4.44Å; A260-Q407 WeakPolarHBondContact O-CA 3.23Å
261A97.8Very high95.4Very high9 Ų920.5 Ų20.57%0.07411%0.107CC..Hα-helixtrans-61.1-43.7175.100000111L257 V258 A259 G264 I265 V406 V410 M433L257-A261 PolarHBondContact O-N 3.41Å; V258-A261 WeakPolarHBondContact O-CB 3.12Å; V258-A261 PolarHBondContact O-N 3.46Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 2.79Å; A261-G264 PolarHBondContact O-N 3.47Å; A261-I265 WeakPolarHBondContact O-CG1 3.45Å; A261-I265 PolarHBondContact O-N 3.02Å; A261-I265 VanDerWaalsContact O-N 3.15Å; A261-V406 HydrophobicContact CB-CG1 4.13Å; A261-V410 HydrophobicContact CB-CB 4.43Å; A261-V410 HydrophobicContact CB-CG1 4.33Å; A261-V410 HydrophobicContact CB-CG2 3.82Å; A261-V410 VanDerWaalsContact O-CG1 3.31Å; A261-V410 WeakPolarHBondContact O-CG1 3.16Å; A261-M433 HydrophobicContact CB-CE 3.43Å; A261-M433 VanDerWaalsContact CB-CE 3.43Å
262F97.9Very high95.3Very high0 Ų012.1 Ų12.10%07%0.07CC..Hα-helixtrans-63-45.4173.7169.1-105.1000112.7V258 A259 A260 G264 I265 N266 A330 V373 W377 F430 M433 A434V258-F262 PolarHBondContact O-N 3.17Å; A259-F262 WeakPolarHBondContact O-CB 3.23Å; A259-F262 PolarHBondContact O-N 3.04Å; A260-F262 VanDerWaalsContact C-N 3.33Å; A260-F262 PolarHBondContact O-N 3.43Å; F262-G264 PolarHBondContact O-N 3.27Å; F262-I265 PolarHBondContact O-N 2.92Å; F262-I265 VanDerWaalsContact O-N 3.07Å; F262-N266 HydrophobicContact CZ-CB 4.36Å; F262-N266 PolarHBondContact O-N 2.85Å; F262-A330 HydrophobicContact CZ-CB 3.82Å; F262-V373 HydrophobicContact CE1-CG1 3.75Å; F262-V373 HydrophobicContact CZ-CG1 3.81Å; F262-W377 HydrophobicContact CB-CZ3 4.15Å; F262-W377 AromaticContact CD1-CD2 3.89Å; F262-W377 HydrophobicContact CD1-CD2 3.89Å; F262-W377 AromaticContact CD1-CE3 3.33Å; F262-W377 HydrophobicContact CD1-CE3 3.33Å; F262-W377 AromaticContact CD1-CH2 3.55Å; F262-W377 HydrophobicContact CD1-CH2 3.55Å; F262-W377 HydrophobicContact CD1-CZ2 4.12Å; F262-W377 AromaticContact CD1-CZ3 3.14Å; F262-W377 HydrophobicContact CD1-CZ3 3.14Å; F262-W377 AromaticContact CE1-CD2 3.84Å; F262-W377 HydrophobicContact CE1-CD2 3.84Å; F262-W377 AromaticContact CE1-CE2 3.92Å; F262-W377 AromaticContact CE1-CE3 3.79Å; F262-W377 HydrophobicContact CE1-CE3 3.79Å; F262-W377 AromaticContact CE1-CH2 3.81Å; F262-W377 HydrophobicContact CE1-CH2 3.81Å; F262-W377 AromaticContact CE1-CZ2 3.91Å; F262-W377 HydrophobicContact CE1-CZ2 3.91Å; F262-W377 AromaticContact CE1-CZ3 3.78Å; F262-W377 HydrophobicContact CE1-CZ3 3.78Å; F262-W377 HydrophobicContact CG-CE3 4.44Å; F262-W377 HydrophobicContact CG-CH2 4.28Å; F262-W377 AromaticContact CG-CZ3 3.94Å; F262-W377 HydrophobicContact CG-CZ3 3.94Å; F262-F430 HydrophobicContact CE2-CD1 4.32Å; F262-F430 AromaticContact CE2-CD2 3.96Å; F262-F430 HydrophobicContact CE2-CD2 3.96Å; F262-F430 HydrophobicContact CE2-CE1 4.03Å; F262-F430 AromaticContact CE2-CE2 3.64Å; F262-F430 HydrophobicContact CE2-CE2 3.64Å; F262-F430 HydrophobicContact CE2-CG 4.28Å; F262-F430 AromaticContact CE2-CZ 3.67Å; F262-F430 HydrophobicContact CE2-CZ 3.67Å; F262-F430 HydrophobicContact CZ-CE1 4.33Å; F262-F430 HydrophobicContact CZ-CE2 4.03Å; F262-F430 AromaticContact CZ-CZ 3.77Å; F262-F430 HydrophobicContact CZ-CZ 3.77Å; F262-M433 HydrophobicContact CB-CB 4.25Å; F262-M433 HydrophobicContact CD2-CB 4.16Å; F262-A434 HydrophobicContact CD2-CB 3.72Å; F262-A434 VanDerWaalsContact CD2-N 3.26Å; F262-A434 HydrophobicContact CE1-CB 4.43Å; F262-A434 HydrophobicContact CE2-CB 3.34Å; F262-A434 HydrophobicContact CG-CB 4.42Å; F262-A434 HydrophobicContact CZ-CB 3.71Å
263T97.2Very high95.3Very high1 Ų110 Ų101%0.0066%0.056CC..Hα-helixtrans-63.2-28177.363.80000112A259 A260 L267 W377 I381 Q407A259-T263 PolarHBondContact O-N 2.84Å; A260-T263 WeakPolarHBondContact CA-OG1 3.24Å; A260-T263 PolarHBondContact O-N 3.17Å; A260-T263 PolarHBondContact O-OG1 2.94Å; T263-L267 VanDerWaalsContact O-CB 3.23Å; T263-L267 WeakPolarHBondContact O-CB 3.2Å; T263-L267 PolarHBondContact O-N 3.48Å; T263-W377 HydrophobicContact CG2-CB 3.64Å; T263-W377 HydrophobicContact CG2-CE3 4.09Å; T263-W377 HydrophobicContact CG2-CG 4.5Å; T263-I381 HydrophobicContact CG2-CD1 3.89Å; T263-Q407 PolarHBondContact OG1-NE2 3.02Å; T263-Q407 VanDerWaalsContact OG1-NE2 3.12Å
264G97.7Very high95.3Very high0 Ų010.1 Ų10.10%06%0.057CC..Hα-helixtrans-62.9-45.6170.800000112.7A260 A261 F262 L267 T268 Q407 S411A260-G264 PolarHBondContact O-N 2.9Å; A261-G264 PolarHBondContact O-N 3.47Å; F262-G264 PolarHBondContact O-N 3.27Å; G264-L267 WeakPolarHBondContact O-CB 3.5Å; G264-L267 PolarHBondContact O-N 3.07Å; G264-T268 PolarHBondContact O-N 2.83Å; G264-T268 PolarHBondContact O-OG1 2.71Å; G264-Q407 WeakPolarHBondContact CA-O 3.39Å; G264-S411 WeakPolarHBondContact O-CB 3.3Å
265I97.7Very high95.2Very high5 Ų56.1 Ų6.13%0.0264%0.037CC..Hα-helixtrans-67-45.7176-58.7164.9000110.3A261 F262 L267 T268 F269 V410 I429 F430 M433A261-I265 WeakPolarHBondContact O-CG1 3.45Å; A261-I265 PolarHBondContact O-N 3.02Å; A261-I265 VanDerWaalsContact O-N 3.15Å; F262-I265 PolarHBondContact O-N 2.92Å; F262-I265 VanDerWaalsContact O-N 3.07Å; I265-L267 PolarHBondContact O-N 2.93Å; I265-T268 WeakPolarHBondContact O-CB 3.34Å; I265-T268 PolarHBondContact O-N 3.11Å; I265-F269 HydrophobicContact CG2-CD2 3.98Å; I265-F269 HydrophobicContact CG2-CE2 3.89Å; I265-F269 WeakPolarHBondContact O-CD2 3.27Å; I265-F269 PolarHBondContact O-N 3.2Å; I265-V410 HydrophobicContact CD1-CG1 4.1Å; I265-V410 HydrophobicContact CG1-CG1 3.59Å; I265-I429 HydrophobicContact CD1-CG2 3.99Å; I265-F430 HydrophobicContact CG2-CB 4.19Å; I265-F430 HydrophobicContact CG2-CD2 3.94Å; I265-M433 HydrophobicContact CD1-CB 3.64Å; I265-M433 HydrophobicContact CD1-CE 4.31Å; I265-M433 HydrophobicContact CD1-CG 3.43Å; I265-M433 VanDerWaalsContact CD1-CG 3.43Å
266N97.2Very high95Very high1 Ų15 Ų51%0.0053%0.029CC..Hα-helixtrans-57-38.7176-174.372.4000111.8F262 T268 F269 Y270 F370 V373 D374 F430F262-N266 HydrophobicContact CZ-CB 4.36Å; F262-N266 PolarHBondContact O-N 2.85Å; N266-T268 PolarHBondContact O-N 3.44Å; N266-F269 WeakPolarHBondContact O-CB 3.38Å; N266-F269 PolarHBondContact O-N 3.4Å; N266-F269 VanDerWaalsContact O-N 3.14Å; N266-Y270 WeakPolarHBondContact O-CD1 3.14Å; N266-Y270 PolarHBondContact O-N 3.2Å; N266-F370 PolarHBondContact ND2-O 3.11Å; N266-V373 HydrophobicContact CB-CG1 4.5Å; N266-D374 WeakPolarHBondContact ND2-CA 3.42Å; N266-D374 WeakPolarHBondContact ND2-CB 3.5Å; N266-D374 PolarHBondContact ND2-N 2.82Å; N266-F430 HydrophobicContact CB-CE2 3.84Å; N266-F430 WeakPolarHBondContact OD1-CE2 3.48Å
267L95.7Very high94.9Very high15 Ų155 Ų58%0.0793%0.029CC..Hα-helixtrans-59.3-44.3173.8179.5147.2000112.7Y58 T263 G264 I265 F269 Y270 S271 S411 F415Y58-L267 HydrophobicContact CD1-CD2 4.3Å; Y58-L267 HydrophobicContact CE1-CD1 4.17Å; Y58-L267 HydrophobicContact CE1-CD2 3.56Å; Y58-L267 HydrophobicContact CE2-CD2 3.8Å; Y58-L267 VanDerWaalsContact OH-CD2 3.31Å; Y58-L267 WeakPolarHBondContact OH-CD2 3.43Å; T263-L267 VanDerWaalsContact O-CB 3.23Å; T263-L267 WeakPolarHBondContact O-CB 3.2Å; T263-L267 PolarHBondContact O-N 3.48Å; G264-L267 WeakPolarHBondContact O-CB 3.5Å; G264-L267 PolarHBondContact O-N 3.07Å; I265-L267 PolarHBondContact O-N 2.93Å; L267-F269 VanDerWaalsContact C-N 3.29Å; L267-F269 PolarHBondContact O-N 3.2Å; L267-Y270 HydrophobicContact CB-CE1 3.91Å; L267-Y270 HydrophobicContact CG-CE1 4.13Å; L267-S271 WeakPolarHBondContact O-CB 3.43Å; L267-S271 PolarHBondContact O-N 3.24Å; L267-S271 PolarHBondContact O-OG 2.99Å; L267-S411 WeakPolarHBondContact CD2-OG 3.49Å; L267-F415 HydrophobicContact CD2-CE2 4.36Å
268T95.1Very high94.7Very high0 Ų04.4 Ų4.40%03%0.026CC..Hα-helixtrans-59-41.4173.4-55.40000112G264 I265 N266 S272 L273 S411 A414 F415G264-T268 PolarHBondContact O-N 2.83Å; G264-T268 PolarHBondContact O-OG1 2.71Å; I265-T268 WeakPolarHBondContact O-CB 3.34Å; I265-T268 PolarHBondContact O-N 3.11Å; N266-T268 PolarHBondContact O-N 3.44Å; T268-S272 PolarHBondContact O-N 3.31Å; T268-L273 HydrophobicContact CG2-CB 4.39Å; T268-L273 VanDerWaalsContact O-CB 3.29Å; T268-L273 WeakPolarHBondContact O-CB 3.35Å; T268-L273 PolarHBondContact O-N 2.99Å; T268-S411 PolarHBondContact OG1-O 3.31Å; T268-S411 PolarHBondContact OG1-OG 3.5Å; T268-A414 HydrophobicContact CG2-CB 3.91Å; T268-A414 WeakPolarHBondContact OG1-CB 3.31Å; T268-F415 HydrophobicContact CG2-CD1 3.76Å; T268-F415 HydrophobicContact CG2-CD2 4.38Å; T268-F415 HydrophobicContact CG2-CE1 3.67Å; T268-F415 HydrophobicContact CG2-CE2 4.3Å; T268-F415 HydrophobicContact CG2-CG 4.11Å; T268-F415 HydrophobicContact CG2-CZ 3.97Å
269F94.6Very high94.3Very high1 Ų12.4 Ų2.40%0.0042%0.015CC..Iπ-helixtrans-61-60.7178.8-90.3-104000112.4I265 N266 L267 L273 Y274 F370 Q426 I427 F430I265-F269 HydrophobicContact CG2-CD2 3.98Å; I265-F269 HydrophobicContact CG2-CE2 3.89Å; I265-F269 WeakPolarHBondContact O-CD2 3.27Å; I265-F269 PolarHBondContact O-N 3.2Å; N266-F269 WeakPolarHBondContact O-CB 3.38Å; N266-F269 PolarHBondContact O-N 3.4Å; N266-F269 VanDerWaalsContact O-N 3.14Å; L267-F269 VanDerWaalsContact C-N 3.29Å; L267-F269 PolarHBondContact O-N 3.2Å; F269-L273 HydrophobicContact CD1-CD2 3.92Å; F269-L273 HydrophobicContact CD2-CD2 3.77Å; F269-L273 HydrophobicContact CE1-CD2 3.82Å; F269-L273 HydrophobicContact CE2-CD2 3.68Å; F269-L273 HydrophobicContact CG-CD2 3.91Å; F269-L273 HydrophobicContact CZ-CD2 3.71Å; F269-Y274 WeakPolarHBondContact O-CB 3.43Å; F269-Y274 PolarHBondContact O-N 3.37Å; F269-F370 HydrophobicContact CB-CD1 4.26Å; F269-F370 HydrophobicContact CB-CE1 4Å; F269-F370 HydrophobicContact CB-CZ 4.34Å; F269-F370 AromaticContact CD1-CE1 3.81Å; F269-F370 HydrophobicContact CD1-CE1 3.81Å; F269-F370 HydrophobicContact CD1-CE2 4.37Å; F269-F370 AromaticContact CD1-CZ 3.56Å; F269-F370 HydrophobicContact CD1-CZ 3.56Å; F269-F370 HydrophobicContact CE1-CZ 4.32Å; F269-F370 HydrophobicContact CG-CE1 4.17Å; F269-F370 HydrophobicContact CG-CZ 4.33Å; F269-Q426 HydrophobicContact CE2-CB 4.34Å; F269-Q426 HydrophobicContact CZ-CB 3.96Å; F269-I427 HydrophobicContact CE1-CG1 3.95Å; F269-I427 HydrophobicContact CZ-CG1 4.16Å; F269-F430 AromaticContact CD2-CD2 3.79Å; F269-F430 HydrophobicContact CD2-CD2 3.79Å; F269-F430 HydrophobicContact CD2-CE2 4.44Å; F269-F430 HydrophobicContact CE2-CB 3.91Å; F269-F430 AromaticContact CE2-CD2 3.91Å; F269-F430 HydrophobicContact CE2-CD2 3.91Å; F269-F430 HydrophobicContact CE2-CG 4.24Å; F269-F430 HydrophobicContact CG-CD2 4.12Å; F269-F430 HydrophobicContact CG-CE2 4.41Å; F269-F430 HydrophobicContact CZ-CB 3.97Å; F269-F430 HydrophobicContact CZ-CD2 4.37Å; F269-F430 HydrophobicContact CZ-CG 4.36Å
270Y92.5Very high94.1Very high7 Ų72.4 Ų2.43%0.0272%0.015CC..Iπ-helixtrans-73.9-33.5-172.582.8-105.8000112.6N266 L267 I299 D374N266-Y270 WeakPolarHBondContact O-CD1 3.14Å; N266-Y270 PolarHBondContact O-N 3.2Å; L267-Y270 HydrophobicContact CB-CE1 3.91Å; L267-Y270 HydrophobicContact CG-CE1 4.13Å; Y270-I299 HydrophobicContact CD2-CG2 3.81Å; Y270-I299 HydrophobicContact CG-CG2 4.33Å; Y270-I299 VanDerWaalsContact O-CD1 3.24Å; Y270-I299 WeakPolarHBondContact O-CD1 3.44Å; Y270-D374 HydrophobicContact CD1-CB 4.02Å; Y270-D374 HydrophobicContact CE1-CB 3.72Å; Y270-D374 VanDerWaalsContact CE1-OD1 3.32Å; Y270-D374 WeakPolarHBondContact CE1-OD1 3.35Å
271S89.9Confident93.8Very high2 Ų22.4 Ų2.41%0.0142%0.015CC..Iπ-helixtrans-77.6-27.4-171.964.80000113.9L29 L267L29-S271 WeakPolarHBondContact CA-O 3.22Å; L267-S271 WeakPolarHBondContact O-CB 3.43Å; L267-S271 PolarHBondContact O-N 3.24Å; L267-S271 PolarHBondContact O-OG 2.99Å
272S89.2Confident93.3Very high0 Ų05.4 Ų5.40%03%0.029CC..Iπ-helixtrans-155.6-46.7-174.6176.20000114.1Y51 T268 Y274 A275 S276Y51-S272 WeakPolarHBondContact CE1-OG 3.19Å; T268-S272 PolarHBondContact O-N 3.31Å; S272-Y274 PolarHBondContact O-N 3.47Å; S272-A275 PolarHBondContact O-N 3.05Å; S272-A275 VanDerWaalsContact O-N 3.16Å; S272-S276 PolarHBondContact O-N 3.15Å; S272-S276 PolarHBondContact O-OG 3.44Å
273L92.5Very high92.8Very high0 Ų010.9 Ų10.90%05%0.05CC..Iπ-helixtrans-58.6-47.3-173.6175.672.9000112.6T268 F269 A275 S276 A277 L423 Q426T268-L273 HydrophobicContact CG2-CB 4.39Å; T268-L273 VanDerWaalsContact O-CB 3.29Å; T268-L273 WeakPolarHBondContact O-CB 3.35Å; T268-L273 PolarHBondContact O-N 2.99Å; F269-L273 HydrophobicContact CD1-CD2 3.92Å; F269-L273 HydrophobicContact CD2-CD2 3.77Å; F269-L273 HydrophobicContact CE1-CD2 3.82Å; F269-L273 HydrophobicContact CE2-CD2 3.68Å; F269-L273 HydrophobicContact CG-CD2 3.91Å; F269-L273 HydrophobicContact CZ-CD2 3.71Å; L273-A275 VanDerWaalsContact C-N 3.32Å; L273-A275 PolarHBondContact O-N 2.86Å; L273-S276 PolarHBondContact O-N 3.37Å; L273-A277 WeakPolarHBondContact O-CB 3.31Å; L273-A277 PolarHBondContact O-N 3Å; L273-L423 HydrophobicContact CD2-CD1 4.43Å; L273-Q426 VanDerWaalsContact CD1-OE1 3.29Å; L273-Q426 HydrophobicContact CD2-CB 4.49Å
274Y94.8Very high92.3Very high3 Ų311.7 Ų11.71%0.0125%0.053CC..Hα-helixtrans-64.5-39.4179.9-176.1-112.5000111.7F269 S272 A277 L278 A295 T337 L341 A363 I366 A367 F370F269-Y274 WeakPolarHBondContact O-CB 3.43Å; F269-Y274 PolarHBondContact O-N 3.37Å; S272-Y274 PolarHBondContact O-N 3.47Å; Y274-A277 PolarHBondContact O-N 3.41Å; Y274-L278 HydrophobicContact CD1-CD1 3.98Å; Y274-L278 HydrophobicContact CD1-CG 4.48Å; Y274-L278 HydrophobicContact CE1-CD1 3.49Å; Y274-L278 VanDerWaalsContact CE1-CD1 3.49Å; Y274-L278 HydrophobicContact CE1-CG 4.09Å; Y274-L278 HydrophobicContact CE2-CG 4.49Å; Y274-L278 WeakPolarHBondContact O-CG 3.29Å; Y274-L278 PolarHBondContact O-N 3.07Å; Y274-A295 HydrophobicContact CD1-CB 4.35Å; Y274-A295 HydrophobicContact CE1-CB 4.17Å; Y274-T337 HydrophobicContact CD2-CG2 4.31Å; Y274-T337 HydrophobicContact CE2-CG2 4.32Å; Y274-L341 HydrophobicContact CD2-CD1 4.11Å; Y274-L341 HydrophobicContact CE2-CD1 3.75Å; Y274-A363 VanDerWaalsContact OH-C 3.29Å; Y274-A363 WeakPolarHBondContact OH-CA 3.49Å; Y274-A363 PolarHBondContact OH-O 3.4Å; Y274-I366 HydrophobicContact CD2-CG2 4.24Å; Y274-I366 HydrophobicContact CE1-CG2 4.27Å; Y274-I366 HydrophobicContact CE2-CB 4.33Å; Y274-I366 HydrophobicContact CE2-CG2 3.51Å; Y274-I366 WeakPolarHBondContact OH-CB 3.46Å; Y274-A367 HydrophobicContact CE1-CB 3.88Å; Y274-F370 HydrophobicContact CD2-CD2 4.46Å; Y274-F370 AromaticContact CD2-CE2 3.89Å; Y274-F370 HydrophobicContact CD2-CE2 3.89Å; Y274-F370 HydrophobicContact CE2-CE2 4.31Å; Y274-F370 HydrophobicContact CG-CD2 4.3Å; Y274-F370 HydrophobicContact CG-CE2 4.13Å
275A92.1Very high91.7Very high1 Ų113.7 Ų13.71%0.0087%0.073CC..Hα-helixtrans-67.3-42.6179.600000112L29 S272 L273 A277 L278 G279 I292L29-A275 HydrophobicContact CD1-CB 3.33Å; L29-A275 HydrophobicContact CG-CB 4.17Å; S272-A275 PolarHBondContact O-N 3.05Å; S272-A275 VanDerWaalsContact O-N 3.16Å; L273-A275 VanDerWaalsContact C-N 3.32Å; L273-A275 PolarHBondContact O-N 2.86Å; A275-A277 VanDerWaalsContact C-N 3.35Å; A275-L278 PolarHBondContact O-N 2.66Å; A275-G279 PolarHBondContact O-N 3.49Å; A275-I292 HydrophobicContact CB-CG2 4.09Å
276S91.4Very high90.9Very high0 Ų023.5 Ų23.50%011%0.11CC..Hα-helixtrans-60.8-43.9170.9-60.80000111.7Y51 S272 L273 L278 G279 H280Y51-S276 WeakPolarHBondContact OH-CB 3.44Å; Y51-S276 PolarHBondContact OH-OG 2.82Å; S272-S276 PolarHBondContact O-N 3.15Å; S272-S276 PolarHBondContact O-OG 3.44Å; L273-S276 PolarHBondContact O-N 3.37Å; S276-L278 PolarHBondContact O-N 3.28Å; S276-G279 PolarHBondContact O-N 3.4Å; S276-G279 VanDerWaalsContact O-N 3.13Å; S276-H280 WeakPolarHBondContact O-CB 3.23Å; S276-H280 VanDerWaalsContact O-CG 3.31Å; S276-H280 PolarHBondContact O-N 3.25Å; S276-H280 PolarHBondContact O-ND1 2.93Å
277A93.7Very high90.2Very high0 Ų026.5 Ų26.50%013%0.126CC..Hα-helixtrans-62-31177.800000113.4L273 Y274 A275 C281 L341 S345 L423L273-A277 WeakPolarHBondContact O-CB 3.31Å; L273-A277 PolarHBondContact O-N 3Å; Y274-A277 PolarHBondContact O-N 3.41Å; A275-A277 VanDerWaalsContact C-N 3.35Å; A277-C281 WeakPolarHBondContact O-CB 3.27Å; A277-L341 HydrophobicContact CB-CD1 3.81Å; A277-S345 WeakPolarHBondContact CA-O 3.3Å; A277-S345 WeakPolarHBondContact O-CB 3.48Å; A277-S345 PolarHBondContact O-OG 3.23Å; A277-L423 HydrophobicContact CB-CD2 4.29Å
278L92.7Very high89.7Confident0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-74.2-46170.5-69.9176.7000112.2Y274 A275 S276 H280 C281 F284 A295 M340 L341 A363 M364Y274-L278 HydrophobicContact CD1-CD1 3.98Å; Y274-L278 HydrophobicContact CD1-CG 4.48Å; Y274-L278 HydrophobicContact CE1-CD1 3.49Å; Y274-L278 VanDerWaalsContact CE1-CD1 3.49Å; Y274-L278 HydrophobicContact CE1-CG 4.09Å; Y274-L278 HydrophobicContact CE2-CG 4.49Å; Y274-L278 WeakPolarHBondContact O-CG 3.29Å; Y274-L278 PolarHBondContact O-N 3.07Å; A275-L278 PolarHBondContact O-N 2.66Å; S276-L278 PolarHBondContact O-N 3.28Å; L278-H280 VanDerWaalsContact C-N 3.31Å; L278-H280 PolarHBondContact O-N 2.87Å; L278-C281 PolarHBondContact O-N 3.33Å; L278-F284 HydrophobicContact CD2-CE2 3.58Å; L278-F284 HydrophobicContact CD2-CZ 3.87Å; L278-A295 HydrophobicContact CD1-CB 3.55Å; L278-M340 HydrophobicContact CD2-CE 4.31Å; L278-L341 HydrophobicContact CD2-CD1 4.43Å; L278-L341 HydrophobicContact CD2-CD2 4.09Å; L278-A363 HydrophobicContact CD2-CB 3.85Å; L278-M364 HydrophobicContact CD1-CE 4.3Å
279G88Confident89.2Confident5 Ų528.8 Ų28.85%0.05214%0.137CC..Hα-helixtrans-60.3-39.2-178.600000113.2A275 S276 C281A275-G279 PolarHBondContact O-N 3.49Å; S276-G279 PolarHBondContact O-N 3.4Å; S276-G279 VanDerWaalsContact O-N 3.13Å; G279-C281 VanDerWaalsContact C-N 3.35Å
280H91.2Very high88.7Confident1 Ų128.9 Ų28.91%0.00514%0.137CC..THydrogen-bonded Turntrans-82.6-6.4179.5-65.4152.3000114.8E36 S276 L278 L282 S345 K348 D349 T350E36-H280 IonicContact OE1-CE1 3.49Å; E36-H280 IonicContact OE1-NE2 3.86Å; E36-H280 IonicContact OE2-NE2 3.9Å; E36-H280 PolarHBondContact OE2-NE2 2.98Å; S276-H280 WeakPolarHBondContact O-CB 3.23Å; S276-H280 VanDerWaalsContact O-CG 3.31Å; S276-H280 PolarHBondContact O-N 3.25Å; S276-H280 PolarHBondContact O-ND1 2.93Å; L278-H280 VanDerWaalsContact C-N 3.31Å; L278-H280 PolarHBondContact O-N 2.87Å; H280-L282 PolarHBondContact O-N 2.95Å; H280-L282 VanDerWaalsContact O-N 3.13Å; H280-S345 WeakPolarHBondContact CB-O 3.38Å; H280-S345 PolarHBondContact ND1-O 3.21Å; H280-K348 WeakPolarHBondContact CB-O 3.29Å; H280-D349 WeakPolarHBondContact CA-OD1 3.45Å; H280-D349 IonicContact CD2-OD1 3.56Å; H280-D349 PolarHBondContact CD2-OD1 3.37Å; H280-D349 VanDerWaalsContact CD2-OD1 3.23Å; H280-D349 IonicContact CG-OD1 3.88Å; H280-D349 WeakPolarHBondContact O-CA 3.34Å; H280-T350 PolarHBondContact O-N 3.04Å
281C91Very high88.6Confident0 Ų030.3 Ų30.30%014%0.143CC..BIsolated β-bridgetrans-84.788.4179.3177.50000109.8A277 L278 G279 R283 F284 L341A277-C281 WeakPolarHBondContact O-CB 3.27Å; L278-C281 PolarHBondContact O-N 3.33Å; G279-C281 VanDerWaalsContact C-N 3.35Å; C281-R283 PolarHBondContact O-N 3Å; C281-F284 HydrophobicContact CB-CD2 3.7Å; C281-F284 HydrophobicContact CB-CE2 3.91Å; C281-F284 WeakPolarHBondContact O-CB 3.29Å; C281-F284 PolarHBondContact O-N 2.95Å; C281-L341 HydrophobicContact CB-CD2 4.35Å
282L87Confident88.6Confident71 Ų7130.2 Ų30.237%0.37214%0.142SC..G310 helixtrans-57.8-22.1-173.9-66.6179.8000114.1H280 F284 G285 D349 T350 D351H280-L282 PolarHBondContact O-N 2.95Å; H280-L282 VanDerWaalsContact O-N 3.13Å; L282-F284 PolarHBondContact O-N 3.05Å; L282-G285 WeakPolarHBondContact O-CA 3.43Å; L282-G285 PolarHBondContact O-N 3.02Å; L282-D349 HydrophobicContact CD1-CB 4.23Å; L282-D349 HydrophobicContact CD2-CB 4.28Å; L282-D349 HydrophobicContact CG-CB 4.27Å; L282-T350 PolarHBondContact N-O 3.43Å; L282-D351 WeakPolarHBondContact CB-OD1 3.47Å; L282-D351 WeakPolarHBondContact CD1-OD2 3.2Å
283R87.7Confident88.5Confident116 Ų11630.2 Ų30.244%0.43814%0.142SC..G310 helixtrans-66.4-17.3175-68.7-166.1176.7-131.9-5.4115.2C281 G285 D351 L353 P358C281-R283 PolarHBondContact O-N 3Å; R283-G285 PolarHBondContact O-N 3.4Å; R283-D351 PolarHBondContact NE-O 3.38Å; R283-D351 PolarHBondContact NH2-O 3.25Å; R283-D351 VanDerWaalsContact NH2-O 3.09Å; R283-L353 VanDerWaalsContact NH1-CD2 3.29Å; R283-L353 VanDerWaalsContact NH2-CD1 3.31Å; R283-P358 HydrophobicContact CB-CG 4.12Å
284F87.1Confident88.5Confident18 Ų1831.9 Ų31.98%0.07915%0.151CC..G310 helixtrans-69.7-8.3167.3-77.3-58.2000112.6L278 C281 L282 A288 Y291 M340 L341 P358 V360 A363L278-F284 HydrophobicContact CD2-CE2 3.58Å; L278-F284 HydrophobicContact CD2-CZ 3.87Å; C281-F284 HydrophobicContact CB-CD2 3.7Å; C281-F284 HydrophobicContact CB-CE2 3.91Å; C281-F284 WeakPolarHBondContact O-CB 3.29Å; C281-F284 PolarHBondContact O-N 2.95Å; L282-F284 PolarHBondContact O-N 3.05Å; F284-A288 HydrophobicContact CB-CB 3.75Å; F284-Y291 HydrophobicContact CB-CD2 3.76Å; F284-Y291 HydrophobicContact CB-CE2 3.67Å; F284-Y291 AromaticContact CD1-CD2 3.68Å; F284-Y291 HydrophobicContact CD1-CD2 3.68Å; F284-Y291 AromaticContact CD1-CE2 3.56Å; F284-Y291 HydrophobicContact CD1-CE2 3.56Å; F284-Y291 HydrophobicContact CD2-CD2 4.34Å; F284-Y291 HydrophobicContact CE1-CD2 4.36Å; F284-Y291 HydrophobicContact CE1-CE2 4.45Å; F284-Y291 AromaticContact CG-CD2 3.67Å; F284-Y291 HydrophobicContact CG-CD2 3.67Å; F284-Y291 AromaticContact CG-CE2 3.81Å; F284-Y291 HydrophobicContact CG-CE2 3.81Å; F284-M340 HydrophobicContact CZ-CE 4.42Å; F284-L341 HydrophobicContact CE2-CD2 4.18Å; F284-P358 HydrophobicContact CD1-CB 4.28Å; F284-P358 HydrophobicContact CE1-CB 3.79Å; F284-P358 HydrophobicContact CE2-CB 4.06Å; F284-P358 HydrophobicContact CZ-CB 3.67Å; F284-V360 HydrophobicContact CD1-CG2 4.04Å; F284-V360 HydrophobicContact CE1-CG2 4.07Å; F284-A363 HydrophobicContact CZ-CB 4.22Å
285G85Confident88.4Confident41 Ų4131.8 Ų31.842%0.42315%0.151SC..G310 helixtrans71.6-155.4-179.600000112.3L282 R283 N287 A288L282-G285 WeakPolarHBondContact O-CA 3.43Å; L282-G285 PolarHBondContact O-N 3.02Å; R283-G285 PolarHBondContact O-N 3.4Å; G285-N287 PolarHBondContact O-N 3.23Å; G285-A288 WeakPolarHBondContact O-CB 3.45Å; G285-A288 PolarHBondContact O-N 3.04Å; G285-A288 VanDerWaalsContact O-N 3.11Å
286R80.5Confident88.4Confident212 Ų21231.7 Ų31.780%0.815%0.15SC*.G310 helixtrans-59.6-18-176.5-66.4-175.6178174.1-2.5114.4
287N83Confident88.4Confident63 Ų6333.3 Ų33.334%0.33716%0.159SC..G310 helixtrans-94.32-177.8-66-31.4000114G285 K289 S290 Y291G285-N287 PolarHBondContact O-N 3.23Å; N287-K289 PolarHBondContact O-N 3.45Å; N287-S290 WeakPolarHBondContact O-CB 3.41Å; N287-S290 PolarHBondContact O-N 3.46Å; N287-Y291 HydrophobicContact CB-CE1 4.01Å; N287-Y291 HydrophobicContact CB-CE2 4.08Å; N287-Y291 WeakPolarHBondContact O-CD2 3.2Å; N287-Y291 PolarHBondContact O-N 3.31Å
288A85Confident88.5Confident6 Ų636.5 Ų36.55%0.0517%0.173CC..Hα-helixtrans-52.3-43.518000000112.2F284 G285 Y291F284-A288 HydrophobicContact CB-CB 3.75Å; G285-A288 WeakPolarHBondContact O-CB 3.45Å; G285-A288 PolarHBondContact O-N 3.04Å; G285-A288 VanDerWaalsContact O-N 3.11Å; A288-Y291 WeakPolarHBondContact O-CB 3.26Å; A288-Y291 PolarHBondContact O-N 3.28Å
289K83.6Confident88.6Confident58 Ų5836.6 Ų36.625%0.25217%0.173SC..Hα-helixtrans-67-36177.4-64.6-177.1-178.9178.90112.9D164 N287 Y291 I292D164-K289 PolarHBondContact O-NZ 2.94Å; N287-K289 PolarHBondContact O-N 3.45Å; K289-Y291 VanDerWaalsContact C-N 3.29Å; K289-Y291 PolarHBondContact O-N 3.06Å; K289-I292 HydrophobicContact CB-CD1 4.47Å; K289-I292 VanDerWaalsContact O-CB 3.25Å; K289-I292 WeakPolarHBondContact O-CB 3.44Å; K289-I292 WeakPolarHBondContact O-CD1 3.5Å; K289-I292 WeakPolarHBondContact O-CG1 3.36Å; K289-I292 PolarHBondContact O-N 3.14Å
290S85.1Confident88.8Confident2 Ų236.4 Ų36.41%0.01417%0.171CC..Hα-helixtrans-64-37.5173.9-45.60000110.9Y157 L160 N287 I292 G293 L294Y157-S290 WeakPolarHBondContact CD2-O 3.33Å; L160-S290 PolarHBondContact O-OG 3.29Å; N287-S290 WeakPolarHBondContact O-CB 3.41Å; N287-S290 PolarHBondContact O-N 3.46Å; S290-I292 PolarHBondContact O-N 3.46Å; S290-I292 VanDerWaalsContact O-N 3.11Å; S290-G293 PolarHBondContact O-N 3.31Å; S290-L294 PolarHBondContact O-N 3.21Å
291Y90.4Very high89Confident37 Ų3739.1 Ų39.115%0.14519%0.185CC..Hα-helixtrans-64-17.1-179.2-58.8-29.9000114.3F284 N287 A288 K289 L294 A295 V360F284-Y291 HydrophobicContact CB-CD2 3.76Å; F284-Y291 HydrophobicContact CB-CE2 3.67Å; F284-Y291 AromaticContact CD1-CD2 3.68Å; F284-Y291 HydrophobicContact CD1-CD2 3.68Å; F284-Y291 AromaticContact CD1-CE2 3.56Å; F284-Y291 HydrophobicContact CD1-CE2 3.56Å; F284-Y291 HydrophobicContact CD2-CD2 4.34Å; F284-Y291 HydrophobicContact CE1-CD2 4.36Å; F284-Y291 HydrophobicContact CE1-CE2 4.45Å; F284-Y291 AromaticContact CG-CD2 3.67Å; F284-Y291 HydrophobicContact CG-CD2 3.67Å; F284-Y291 AromaticContact CG-CE2 3.81Å; F284-Y291 HydrophobicContact CG-CE2 3.81Å; N287-Y291 HydrophobicContact CB-CE1 4.01Å; N287-Y291 HydrophobicContact CB-CE2 4.08Å; N287-Y291 WeakPolarHBondContact O-CD2 3.2Å; N287-Y291 PolarHBondContact O-N 3.31Å; A288-Y291 WeakPolarHBondContact O-CB 3.26Å; A288-Y291 PolarHBondContact O-N 3.28Å; K289-Y291 VanDerWaalsContact C-N 3.29Å; K289-Y291 PolarHBondContact O-N 3.06Å; Y291-L294 HydrophobicContact CD1-CD2 4.26Å; Y291-L294 PolarHBondContact O-N 3.42Å; Y291-A295 VanDerWaalsContact O-CB 3.29Å; Y291-A295 WeakPolarHBondContact O-CB 3.33Å; Y291-A295 PolarHBondContact O-N 3.02Å; Y291-V360 HydrophobicContact CD1-CG1 4.18Å; Y291-V360 HydrophobicContact CD2-CG2 4.24Å; Y291-V360 HydrophobicContact CE1-CG1 3.94Å; Y291-V360 HydrophobicContact CE1-CG2 4.07Å; Y291-V360 HydrophobicContact CE2-CG2 3.53Å; Y291-V360 VanDerWaalsContact CZ-CG2 3.43Å; Y291-V360 WeakPolarHBondContact OH-CG2 3.49Å
292I88.8Confident89.2Confident0 Ų039.1 Ų39.10%019%0.185CC..Hα-helixtrans-56.3-54.7167.3-63.2168.3000110L29 N33 A275 K289 S290 L294 A295 G296L29-I292 HydrophobicContact CD1-CG2 4.38Å; L29-I292 HydrophobicContact CD2-CG2 4.12Å; L29-I292 HydrophobicContact CG-CG2 3.78Å; N33-I292 HydrophobicContact CB-CD1 4.47Å; N33-I292 WeakPolarHBondContact ND2-CD1 3.29Å; A275-I292 HydrophobicContact CB-CG2 4.09Å; K289-I292 HydrophobicContact CB-CD1 4.47Å; K289-I292 VanDerWaalsContact O-CB 3.25Å; K289-I292 WeakPolarHBondContact O-CB 3.44Å; K289-I292 WeakPolarHBondContact O-CD1 3.5Å; K289-I292 WeakPolarHBondContact O-CG1 3.36Å; K289-I292 PolarHBondContact O-N 3.14Å; S290-I292 PolarHBondContact O-N 3.46Å; S290-I292 VanDerWaalsContact O-N 3.11Å; I292-L294 PolarHBondContact O-N 3.38Å; I292-A295 PolarHBondContact O-N 3.39Å; I292-G296 PolarHBondContact O-N 3.41Å; I292-G296 VanDerWaalsContact O-N 3.09Å
293G88.7Confident89.4Confident0 Ų035.7 Ų35.70%017%0.167CC..Hα-helixtrans-66.7-37.6179.900000112.3G153 S290 A295 G296 L297G153-G293 CarbonylContact C-O 3.25Å; G153-G293 VanDerWaalsContact C-O 3.28Å; G153-G293 VanDerWaalsContact CA-O 3.25Å; G153-G293 WeakPolarHBondContact CA-O 3.35Å; G153-G293 CarbonylContact O-C 3.57Å; G153-G293 VanDerWaalsContact O-C 3.32Å; G153-G293 VanDerWaalsContact O-CA 3.23Å; G153-G293 WeakPolarHBondContact O-CA 3.18Å; G153-G293 VanDerWaalsContact O-O 3.11Å; S290-G293 PolarHBondContact O-N 3.31Å; G293-A295 PolarHBondContact O-N 3.46Å; G293-G296 PolarHBondContact O-N 2.94Å; G293-L297 PolarHBondContact O-N 3.5Å
294L91.6Very high89.5Confident36 Ų3631.9 Ų31.919%0.18816%0.155CC..Hα-helixtrans-64.6-40.3176-161.168.6000111.6Y157 S290 Y291 I292 G296 L297 F298 V360 M364Y157-L294 HydrophobicContact CD2-CB 3.94Å; Y157-L294 HydrophobicContact CD2-CD1 4.38Å; Y157-L294 HydrophobicContact CE2-CB 4.3Å; Y157-L294 HydrophobicContact CE2-CD1 4.44Å; S290-L294 PolarHBondContact O-N 3.21Å; Y291-L294 HydrophobicContact CD1-CD2 4.26Å; Y291-L294 PolarHBondContact O-N 3.42Å; I292-L294 PolarHBondContact O-N 3.38Å; L294-G296 VanDerWaalsContact C-N 3.35Å; L294-G296 PolarHBondContact O-N 3.34Å; L294-L297 HydrophobicContact CD1-CD2 4.1Å; L294-L297 WeakPolarHBondContact O-CB 3.38Å; L294-L297 PolarHBondContact O-N 3.47Å; L294-F298 HydrophobicContact CD1-CE2 4.23Å; L294-F298 HydrophobicContact CG-CD2 4.24Å; L294-F298 HydrophobicContact CG-CE2 4.16Å; L294-F298 WeakPolarHBondContact O-CD2 3.44Å; L294-F298 PolarHBondContact O-N 3.37Å; L294-F298 VanDerWaalsContact O-N 3.08Å; L294-V360 HydrophobicContact CD2-CG1 4.22Å; L294-M364 HydrophobicContact CB-CE 4.39Å; L294-M364 HydrophobicContact CB-SD 3.77Å; L294-M364 HydrophobicContact CD2-CE 4.41Å; L294-M364 HydrophobicContact CD2-CG 3.88Å; L294-M364 HydrophobicContact CD2-SD 3.63Å; L294-M364 HydrophobicContact CG-CG 4.18Å; L294-M364 HydrophobicContact CG-SD 3.42Å; L294-M364 WeakPolarHBondContact CG-SD 3.42Å
295A92.6Very high89.7Confident0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-61.9-43.4174.100000111.4Y274 L278 Y291 I292 G293 L297 F298 I299 M364 A367Y274-A295 HydrophobicContact CD1-CB 4.35Å; Y274-A295 HydrophobicContact CE1-CB 4.17Å; L278-A295 HydrophobicContact CD1-CB 3.55Å; Y291-A295 VanDerWaalsContact O-CB 3.29Å; Y291-A295 WeakPolarHBondContact O-CB 3.33Å; Y291-A295 PolarHBondContact O-N 3.02Å; I292-A295 PolarHBondContact O-N 3.39Å; G293-A295 PolarHBondContact O-N 3.46Å; A295-L297 VanDerWaalsContact C-N 3.31Å; A295-L297 PolarHBondContact O-N 2.98Å; A295-F298 PolarHBondContact O-N 3.42Å; A295-I299 VanDerWaalsContact O-CG1 3.31Å; A295-I299 WeakPolarHBondContact O-CG1 3.47Å; A295-I299 PolarHBondContact O-N 2.87Å; A295-M364 HydrophobicContact CB-CE 4.04Å; A295-A367 HydrophobicContact CB-CB 4.05Å
296G91.8Very high89.7Confident0 Ų032.7 Ų32.70%015%0.153CC..Hα-helixtrans-55.8-43.7173.400000112.8Q149 I292 G293 L294 F298 I299 G300Q149-G296 CarbonylContact O-C 3.28Å; I292-G296 PolarHBondContact O-N 3.41Å; I292-G296 VanDerWaalsContact O-N 3.09Å; G293-G296 PolarHBondContact O-N 2.94Å; L294-G296 VanDerWaalsContact C-N 3.35Å; L294-G296 PolarHBondContact O-N 3.34Å; G296-F298 PolarHBondContact O-N 3.37Å; G296-I299 PolarHBondContact O-N 3.04Å; G296-G300 PolarHBondContact O-N 2.76Å
297L93.2Very high89.9Confident34 Ų3422.7 Ų22.718%0.17812%0.116CC..Hα-helixtrans-58.2-49.8174.9169.664.7000111.9I150 G293 L294 A295 G300 I301I150-L297 HydrophobicContact CB-CD1 3.86Å; I150-L297 HydrophobicContact CG1-CD1 4.03Å; I150-L297 HydrophobicContact CG2-CD1 3.45Å; I150-L297 VanDerWaalsContact CG2-CD1 3.45Å; G293-L297 PolarHBondContact O-N 3.5Å; L294-L297 HydrophobicContact CD1-CD2 4.1Å; L294-L297 WeakPolarHBondContact O-CB 3.38Å; L294-L297 PolarHBondContact O-N 3.47Å; A295-L297 VanDerWaalsContact C-N 3.31Å; A295-L297 PolarHBondContact O-N 2.98Å; L297-G300 PolarHBondContact O-N 3.09Å; L297-I301 HydrophobicContact CD1-CD1 4.32Å; L297-I301 HydrophobicContact CG-CD1 4.31Å; L297-I301 WeakPolarHBondContact O-CG1 3.35Å; L297-I301 PolarHBondContact O-N 2.8Å
298F94.9Very high89.8Confident67 Ų6726.4 Ų26.429%0.29413%0.129SC..Hα-helixtrans-69.8-34.6-178.4-85.5-95.9000112.9L294 A295 G296 G300 I301 G302 M364 A367 F368L294-F298 HydrophobicContact CD1-CE2 4.23Å; L294-F298 HydrophobicContact CG-CD2 4.24Å; L294-F298 HydrophobicContact CG-CE2 4.16Å; L294-F298 WeakPolarHBondContact O-CD2 3.44Å; L294-F298 PolarHBondContact O-N 3.37Å; L294-F298 VanDerWaalsContact O-N 3.08Å; A295-F298 PolarHBondContact O-N 3.42Å; G296-F298 PolarHBondContact O-N 3.37Å; F298-G300 VanDerWaalsContact C-N 3.3Å; F298-G300 PolarHBondContact O-N 3.26Å; F298-I301 PolarHBondContact O-N 2.9Å; F298-G302 PolarHBondContact O-N 3.2Å; F298-M364 HydrophobicContact CB-CB 4.4Å; F298-M364 HydrophobicContact CB-SD 4.42Å; F298-M364 HydrophobicContact CD1-CB 3.86Å; F298-M364 HydrophobicContact CD2-CB 3.78Å; F298-M364 HydrophobicContact CD2-CG 3.77Å; F298-M364 HydrophobicContact CD2-SD 3.61Å; F298-M364 HydrophobicContact CE1-CB 3.99Å; F298-M364 HydrophobicContact CE2-CB 3.92Å; F298-M364 HydrophobicContact CE2-CG 3.8Å; F298-M364 HydrophobicContact CE2-SD 4.13Å; F298-M364 HydrophobicContact CG-CB 3.75Å; F298-M364 HydrophobicContact CG-CG 4.24Å; F298-M364 HydrophobicContact CG-SD 4.18Å; F298-M364 HydrophobicContact CZ-CB 4.02Å; F298-M364 HydrophobicContact CZ-CG 4.31Å; F298-A367 HydrophobicContact CB-CB 3.92Å; F298-F368 HydrophobicContact CB-CB 4.43Å; F298-F368 HydrophobicContact CD1-CB 4.42Å; F298-F368 VanDerWaalsContact O-CA 3.3Å; F298-F368 WeakPolarHBondContact O-CA 3.37Å
299I94.6Very high89.3Confident2 Ų227.4 Ų27.41%0.0114%0.136CC..Hα-helixtrans-55.1-49.3168.3-73.4159.7000109.6Y270 A295 G296 I301 G302 E303 A367Y270-I299 HydrophobicContact CD2-CG2 3.81Å; Y270-I299 HydrophobicContact CG-CG2 4.33Å; Y270-I299 VanDerWaalsContact O-CD1 3.24Å; Y270-I299 WeakPolarHBondContact O-CD1 3.44Å; A295-I299 VanDerWaalsContact O-CG1 3.31Å; A295-I299 WeakPolarHBondContact O-CG1 3.47Å; A295-I299 PolarHBondContact O-N 2.87Å; G296-I299 PolarHBondContact O-N 3.04Å; I299-I301 PolarHBondContact O-N 3.38Å; I299-G302 CarbonylContact O-C 3.59Å; I299-G302 WeakPolarHBondContact O-CA 3.35Å; I299-G302 PolarHBondContact O-N 3.33Å; I299-G302 VanDerWaalsContact O-N 3.07Å; I299-E303 HydrophobicContact CG2-CG 4.35Å; I299-E303 WeakPolarHBondContact O-CG 3.43Å; I299-E303 PolarHBondContact O-N 2.9Å; I299-A367 WeakPolarHBondContact CA-O 3.19Å; I299-A367 HydrophobicContact CG1-CB 3.99Å; I299-A367 WeakPolarHBondContact CG1-O 3.27Å
300G93.1Very high88.5Confident0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-58.6-43.2177.700000114G296 L297 F298 G302 E303 I304G296-G300 PolarHBondContact O-N 2.76Å; L297-G300 PolarHBondContact O-N 3.09Å; F298-G300 VanDerWaalsContact C-N 3.3Å; F298-G300 PolarHBondContact O-N 3.26Å; G300-G302 VanDerWaalsContact C-N 3.3Å; G300-G302 PolarHBondContact O-N 2.93Å; G300-E303 PolarHBondContact O-N 2.76Å; G300-I304 WeakPolarHBondContact O-CG1 3.24Å; G300-I304 PolarHBondContact O-N 3.14Å
301I94.3Very high87.6Confident58 Ų5829.8 Ų29.830%0.29714%0.143SC..Hα-helixtrans-60.6-43.9174.7-63.1168.8000110.2I150 L297 F298 I299 E303 I304 V305 F368I150-I301 HydrophobicContact CD1-CG1 3.9Å; I150-I301 HydrophobicContact CG1-CG1 4.23Å; L297-I301 HydrophobicContact CD1-CD1 4.32Å; L297-I301 HydrophobicContact CG-CD1 4.31Å; L297-I301 WeakPolarHBondContact O-CG1 3.35Å; L297-I301 PolarHBondContact O-N 2.8Å; F298-I301 PolarHBondContact O-N 2.9Å; I299-I301 PolarHBondContact O-N 3.38Å; I301-E303 PolarHBondContact O-N 2.79Å; I301-I304 PolarHBondContact O-N 3.08Å; I301-V305 HydrophobicContact CG2-CG2 4.48Å; I301-V305 VanDerWaalsContact O-CG2 3.31Å; I301-V305 WeakPolarHBondContact O-CG2 3.3Å; I301-V305 PolarHBondContact O-N 2.93Å; I301-F368 HydrophobicContact CB-CD2 4.32Å; I301-F368 HydrophobicContact CG2-CD2 3.99Å; I301-F368 HydrophobicContact CG2-CE2 3.97Å
302G94.4Very high86.4Confident0 Ų031.9 Ų31.90%016%0.156CC..Hα-helixtrans-58.8-44.5175.500000113.1F298 I299 G300 V305 G306 F368 G372F298-G302 PolarHBondContact O-N 3.2Å; I299-G302 CarbonylContact O-C 3.59Å; I299-G302 WeakPolarHBondContact O-CA 3.35Å; I299-G302 PolarHBondContact O-N 3.33Å; I299-G302 VanDerWaalsContact O-N 3.07Å; G300-G302 VanDerWaalsContact C-N 3.3Å; G300-G302 PolarHBondContact O-N 2.93Å; G302-V305 PolarHBondContact O-N 3.35Å; G302-G306 PolarHBondContact O-N 2.92Å; G302-F368 VanDerWaalsContact CA-CE2 3.48Å; G302-F368 WeakPolarHBondContact CA-O 3.41Å; G302-G372 WeakPolarHBondContact O-CA 3.46Å
303E92.1Very high85Confident0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-66.3-39.9179.4-71.9179.1156.500112.9Q146 Q149 I299 G300 I301 S307 G371 S375Q146-E303 HydrophobicContact CB-CB 3.59Å; Q146-E303 HydrophobicContact CB-CG 4.42Å; Q146-E303 VanDerWaalsContact CB-OE2 3.24Å; Q146-E303 WeakPolarHBondContact CB-OE2 2.9Å; Q146-E303 HydrophobicContact CG-CB 3.84Å; Q146-E303 HydrophobicContact CG-CG 4.3Å; Q146-E303 WeakPolarHBondContact CG-OE2 3.41Å; Q146-E303 PolarHBondContact NE2-OE1 2.99Å; Q146-E303 PolarHBondContact NE2-OE2 3.34Å; Q146-E303 PolarHBondContact OE1-OE2 3.18Å; Q149-E303 VanDerWaalsContact CG-OE2 3.3Å; Q149-E303 WeakPolarHBondContact CG-OE2 3.38Å; I299-E303 HydrophobicContact CG2-CG 4.35Å; I299-E303 WeakPolarHBondContact O-CG 3.43Å; I299-E303 PolarHBondContact O-N 2.9Å; G300-E303 PolarHBondContact O-N 2.76Å; I301-E303 PolarHBondContact O-N 2.79Å; E303-S307 WeakPolarHBondContact O-CB 3.41Å; E303-S307 PolarHBondContact O-N 3.3Å; E303-S307 PolarHBondContact O-OG 3.22Å; E303-G371 WeakPolarHBondContact CA-O 3.28Å; E303-G371 VanDerWaalsContact CG-CA 3.5Å; E303-G371 VanDerWaalsContact CG-O 3.23Å; E303-G371 WeakPolarHBondContact CG-O 3.38Å; E303-S375 WeakPolarHBondContact CA-OG 3.17Å; E303-S375 WeakPolarHBondContact O-CB 3.25Å; E303-S375 PolarHBondContact O-OG 3.2Å
304I90.1Very high83.5Confident35 Ų3541.1 Ų41.118%0.17920%0.195CC..Hα-helixtrans-63.6-49.8174.8-68.1176000110A147 I150 G300 I301 G306 S307 F308A147-I304 HydrophobicContact CB-CD1 3.92Å; I150-I304 HydrophobicContact CD1-CD1 3.43Å; I150-I304 VanDerWaalsContact CD1-CD1 3.43Å; I150-I304 HydrophobicContact CG1-CD1 4.35Å; G300-I304 WeakPolarHBondContact O-CG1 3.24Å; G300-I304 PolarHBondContact O-N 3.14Å; I301-I304 PolarHBondContact O-N 3.08Å; I304-G306 VanDerWaalsContact C-N 3.35Å; I304-G306 PolarHBondContact O-N 3.16Å; I304-S307 WeakPolarHBondContact O-CB 3.33Å; I304-S307 PolarHBondContact O-N 2.82Å; I304-F308 HydrophobicContact CG2-CD2 3.59Å; I304-F308 HydrophobicContact CG2-CE2 3.53Å; I304-F308 VanDerWaalsContact O-CD2 3.22Å; I304-F308 WeakPolarHBondContact O-CD2 3.29Å; I304-F308 PolarHBondContact O-N 3.41Å
305V90.2Very high81.6Confident75 Ų7548.1 Ų48.146%0.45522%0.219SC..Hα-helixtrans-60.9-44.8-179.9171.20000110.9I301 G302 S307 F308 S309 F368I301-V305 HydrophobicContact CG2-CG2 4.48Å; I301-V305 VanDerWaalsContact O-CG2 3.31Å; I301-V305 WeakPolarHBondContact O-CG2 3.3Å; I301-V305 PolarHBondContact O-N 2.93Å; G302-V305 PolarHBondContact O-N 3.35Å; V305-S307 VanDerWaalsContact C-N 3.34Å; V305-S307 PolarHBondContact O-N 2.85Å; V305-F308 PolarHBondContact O-N 2.97Å; V305-S309 PolarHBondContact O-N 3.21Å; V305-F368 HydrophobicContact CB-CE2 4.25Å; V305-F368 HydrophobicContact CB-CZ 4.32Å; V305-F368 HydrophobicContact CG1-CZ 4.23Å; V305-F368 HydrophobicContact CG2-CE2 4.13Å; V305-F368 HydrophobicContact CG2-CZ 4.49Å
306G87Confident79.8Confident2 Ų251.3 Ų51.32%0.02124%0.236CC..Hα-helixtrans-63.7-38.5176.400000112.5G302 I304 S309 S310 S375G302-G306 PolarHBondContact O-N 2.92Å; I304-G306 VanDerWaalsContact C-N 3.35Å; I304-G306 PolarHBondContact O-N 3.16Å; G306-S309 WeakPolarHBondContact O-CB 3.33Å; G306-S309 PolarHBondContact O-N 3.34Å; G306-S309 PolarHBondContact O-OG 3.22Å; G306-S310 PolarHBondContact O-N 3.4Å; G306-S375 VanDerWaalsContact CA-OG 3.29Å; G306-S375 WeakPolarHBondContact CA-OG 3.35Å
307S83.9Confident78Confident1 Ų162.4 Ų62.41%0.00728%0.277CS..Hα-helixtrans-62.4-44.9173.2-570000112.1W142 E303 I304 V305 S309 S310W142-S307 VanDerWaalsContact CD1-OG 3.3Å; E303-S307 WeakPolarHBondContact O-CB 3.41Å; E303-S307 PolarHBondContact O-N 3.3Å; E303-S307 PolarHBondContact O-OG 3.22Å; I304-S307 WeakPolarHBondContact O-CB 3.33Å; I304-S307 PolarHBondContact O-N 2.82Å; V305-S307 VanDerWaalsContact C-N 3.34Å; V305-S307 PolarHBondContact O-N 2.85Å; S307-S309 VanDerWaalsContact C-N 3.34Å; S307-S309 PolarHBondContact O-N 3.4Å; S307-S310 WeakPolarHBondContact O-CB 3.3Å; S307-S310 PolarHBondContact O-N 3.49Å; S307-S310 PolarHBondContact O-OG 2.88Å
308F79.9Confident76.5Confident142 Ų14265.9 Ų65.962%0.62330%0.296SS*.Hα-helixtrans-69.5-31.5176.9-79.3-70.3000112.8I304 V305 S310 R311I304-F308 HydrophobicContact CG2-CD2 3.59Å; I304-F308 HydrophobicContact CG2-CE2 3.53Å; I304-F308 VanDerWaalsContact O-CD2 3.22Å; I304-F308 WeakPolarHBondContact O-CD2 3.29Å; I304-F308 PolarHBondContact O-N 3.41Å; V305-F308 PolarHBondContact O-N 2.97Å; F308-S310 PolarHBondContact O-N 3.45Å; F308-R311 WeakPolarHBondContact O-CB 3.37Å; F308-R311 PolarHBondContact O-N 3.22Å
309S74.4Confident75.1Confident26 Ų2667.4 Ų67.418%0.18230%0.303CS..Hα-helixtrans-58.3-31.1172.884.40000111.5V305 G306 S307 R311 L312V305-S309 PolarHBondContact O-N 3.21Å; G306-S309 WeakPolarHBondContact O-CB 3.33Å; G306-S309 PolarHBondContact O-N 3.34Å; G306-S309 PolarHBondContact O-OG 3.22Å; S307-S309 VanDerWaalsContact C-N 3.34Å; S307-S309 PolarHBondContact O-N 3.4Å; S309-R311 VanDerWaalsContact C-N 3.26Å; S309-R311 PolarHBondContact O-N 2.81Å; S309-L312 WeakPolarHBondContact O-CA 3.38Å; S309-L312 WeakPolarHBondContact O-CB 3.16Å; S309-L312 PolarHBondContact O-N 3.48Å
310S67.7Low74.1Confident2 Ų267.4 Ų67.41%0.01430%0.304CS..Hα-helixtrans-65.8-25.4175.578.90000114S139 G306 S307 F308 L312 T313 L322S139-S310 WeakPolarHBondContact CB-OG 3.36Å; S139-S310 PolarHBondContact OG-OG 3.07Å; G306-S310 PolarHBondContact O-N 3.4Å; S307-S310 WeakPolarHBondContact O-CB 3.3Å; S307-S310 PolarHBondContact O-N 3.49Å; S307-S310 PolarHBondContact O-OG 2.88Å; F308-S310 PolarHBondContact O-N 3.45Å; S310-L312 VanDerWaalsContact C-N 3.28Å; S310-L312 PolarHBondContact O-N 2.83Å; S310-T313 PolarHBondContact O-N 3.34Å; S310-T313 PolarHBondContact O-OG1 3.23Å; S310-L322 VanDerWaalsContact CA-CD1 3.46Å
311R66.7Low73.6Confident108 Ų10870.2 Ų70.241%0.40832%0.321SS..Hα-helixtrans-67.8-26.6169.4-165.372-176.7-157.810.2112.7Q136 F308 S309 T313 R314Q136-R311 VanDerWaalsContact OE1-CZ 3.28Å; Q136-R311 VanDerWaalsContact OE1-NH1 3.11Å; F308-R311 WeakPolarHBondContact O-CB 3.37Å; F308-R311 PolarHBondContact O-N 3.22Å; S309-R311 VanDerWaalsContact C-N 3.26Å; S309-R311 PolarHBondContact O-N 2.81Å; R311-T313 PolarHBondContact O-N 3.48Å; R311-R314 PolarHBondContact O-N 3.25Å
312L64.8Low73.1Confident81 Ų8168.1 Ų68.142%0.42431%0.311SS..G310 helixtrans-66.2-18.6179.4-167.162.9000112.5S309 S310 R314 W315 I316S309-L312 WeakPolarHBondContact O-CA 3.38Å; S309-L312 WeakPolarHBondContact O-CB 3.16Å; S309-L312 PolarHBondContact O-N 3.48Å; S310-L312 VanDerWaalsContact C-N 3.28Å; S310-L312 PolarHBondContact O-N 2.83Å; L312-R314 PolarHBondContact O-N 3.05Å; L312-R314 VanDerWaalsContact O-N 3.08Å; L312-W315 HydrophobicContact CD1-CB 4.1Å; L312-W315 HydrophobicContact CD1-CG 4.18Å; L312-W315 WeakPolarHBondContact O-CA 3.37Å; L312-W315 WeakPolarHBondContact O-CB 3.45Å; L312-W315 PolarHBondContact O-N 3.27Å; L312-I316 HydrophobicContact CD2-CD1 3.73Å; L312-I316 HydrophobicContact CG-CD1 3.87Å; L312-I316 HydrophobicContact CG-CG1 4.24Å; L312-I316 PolarHBondContact O-N 3.28Å
313T59.7Low72.9Confident35 Ų3568.1 Ų68.122%0.21531%0.311CS..G310 helixtrans-55.3-24.2171.451.50000113.4S310 R311 W315 I316 L322S310-T313 PolarHBondContact O-N 3.34Å; S310-T313 PolarHBondContact O-OG1 3.23Å; R311-T313 PolarHBondContact O-N 3.48Å; T313-W315 PolarHBondContact O-N 3.36Å; T313-I316 CarbonylContact O-C 3.56Å; T313-L322 HydrophobicContact CG2-CD1 3.39Å; T313-L322 HydrophobicContact CG2-CG 4.07Å
314R56.9Low72.8Confident159 Ų15971.3 Ų71.360%0.633%0.327SS*.G310 helixtrans-61.9-30.1172.5-159.9-17679125.82.5112.2R311 L312R311-R314 PolarHBondContact O-N 3.25Å; L312-R314 PolarHBondContact O-N 3.05Å; L312-R314 VanDerWaalsContact O-N 3.08Å
315W51.4Low72.9Confident184 Ų18474.8 Ų74.870%0.69734%0.341SS*.THydrogen-bonded Turntrans-96.4-37.8-178.1-56.594.7000111.8L312 T313L312-W315 HydrophobicContact CD1-CB 4.1Å; L312-W315 HydrophobicContact CD1-CG 4.18Å; L312-W315 WeakPolarHBondContact O-CA 3.37Å; L312-W315 WeakPolarHBondContact O-CB 3.45Å; L312-W315 PolarHBondContact O-N 3.27Å; T313-W315 PolarHBondContact O-N 3.36Å
316I55Low73Confident67 Ų6771.2 Ų71.234%0.34432%0.319SS..SBendtrans-97.395.7176-54.4172.9000107.6L312 T313 L318L312-I316 HydrophobicContact CD2-CD1 3.73Å; L312-I316 HydrophobicContact CG-CD1 3.87Å; L312-I316 HydrophobicContact CG-CG1 4.24Å; L312-I316 PolarHBondContact O-N 3.28Å; T313-I316 CarbonylContact O-C 3.56Å; I316-L318 HydrophobicContact CG2-CB 4.19Å; I316-L318 HydrophobicContact CG2-CD1 4.47Å; I316-L318 PolarHBondContact O-N 2.95Å
317R54.5Low73.4Confident233 Ų23373.6 Ų73.688%0.87933%0.328SS*.  trans-61.915.4180-82.3-174.9172.3178.4-2.4115.6
318L60.1Low73.9Confident107 Ų10778 Ų7856%0.5635%0.35SS*.  trans-106.892-177.7-65.5165.4000109.3I316 G320 V321I316-L318 HydrophobicContact CG2-CB 4.19Å; I316-L318 HydrophobicContact CG2-CD1 4.47Å; I316-L318 PolarHBondContact O-N 2.95Å; L318-G320 PolarHBondContact O-N 3.47Å; L318-V321 HydrophobicContact CB-CB 4.38Å; L318-V321 HydrophobicContact CB-CG2 3.43Å; L318-V321 VanDerWaalsContact CB-CG2 3.43Å; L318-V321 HydrophobicContact CD1-CG2 3.96Å; L318-V321 HydrophobicContact CG-CG2 4.34Å; L318-V321 PolarHBondContact O-N 2.97Å
319E66.2Low74.7Confident98 Ų9871.5 Ų71.546%0.45832%0.323SS..THydrogen-bonded Turntrans-53.8124.1167-58.6-176.5168.700108.7Y445 H448E319-Y445 HydrophobicContact CB-CD1 3.59Å; E319-Y445 HydrophobicContact CB-CE1 3.87Å; E319-H448 IonicContact OE2-CD2 2.62Å
320G73.8Confident75.8Confident3 Ų370.2 Ų70.23%0.03131%0.314CS..THydrogen-bonded Turntrans104.5-18.8-178.900000116.6L318 L322 V323 I324L318-G320 PolarHBondContact O-N 3.47Å; G320-L322 PolarHBondContact O-N 3.46Å; G320-V323 WeakPolarHBondContact O-CB 3.24Å; G320-V323 PolarHBondContact O-N 3.31Å; G320-I324 PolarHBondContact O-N 3.05Å
321V81.7Confident77.2Confident58 Ų5872.5 Ų72.535%0.35233%0.326SS..Hα-helixtrans-61.1-35.9177.5168.50000112L318 V323 I324 F325L318-V321 HydrophobicContact CB-CB 4.38Å; L318-V321 HydrophobicContact CB-CG2 3.43Å; L318-V321 VanDerWaalsContact CB-CG2 3.43Å; L318-V321 HydrophobicContact CD1-CG2 3.96Å; L318-V321 HydrophobicContact CG-CG2 4.34Å; L318-V321 PolarHBondContact O-N 2.97Å; V321-V323 VanDerWaalsContact C-N 3.29Å; V321-V323 PolarHBondContact O-N 2.69Å; V321-I324 WeakPolarHBondContact O-CB 3.49Å; V321-I324 PolarHBondContact O-N 3.5Å; V321-I324 VanDerWaalsContact O-N 3.17Å; V321-F325 PolarHBondContact O-N 3.38Å; V321-F325 VanDerWaalsContact O-N 3.12Å
322L85Confident78.7Confident15 Ų1569.9 Ų69.98%0.07932%0.321CS..Hα-helixtrans-64.3-35176.1-66.1-178.2000112.5S310 T313 G320 I324 F325 G326 V376 Q380S310-L322 VanDerWaalsContact CA-CD1 3.46Å; T313-L322 HydrophobicContact CG2-CD1 3.39Å; T313-L322 HydrophobicContact CG2-CG 4.07Å; G320-L322 PolarHBondContact O-N 3.46Å; L322-I324 PolarHBondContact O-N 3.24Å; L322-F325 WeakPolarHBondContact O-CB 3.41Å; L322-F325 PolarHBondContact O-N 2.86Å; L322-F325 VanDerWaalsContact O-N 3.12Å; L322-G326 PolarHBondContact O-N 3.47Å; L322-V376 HydrophobicContact CB-CG1 3.96Å; L322-V376 WeakPolarHBondContact O-CG1 3.16Å; L322-Q380 HydrophobicContact CB-CG 4.42Å
323V89.3Confident80.2Confident0 Ų066 Ų660%030%0.301CS..Hα-helixtrans-62.7-36.9176.3-175.20000110.4G320 V321 G326 Y327 W377 Q380 L438 L441 Y445G320-V323 WeakPolarHBondContact O-CB 3.24Å; G320-V323 PolarHBondContact O-N 3.31Å; V321-V323 VanDerWaalsContact C-N 3.29Å; V321-V323 PolarHBondContact O-N 2.69Å; V323-G326 PolarHBondContact O-N 3.15Å; V323-Y327 WeakPolarHBondContact O-CB 3.5Å; V323-Y327 PolarHBondContact O-N 3Å; V323-W377 HydrophobicContact CG1-CD2 4.41Å; V323-W377 HydrophobicContact CG1-CZ2 4.01Å; V323-W377 PolarHBondContact O-NE1 3.29Å; V323-Q380 HydrophobicContact CG2-CB 4.15Å; V323-Q380 HydrophobicContact CG2-CG 4Å; V323-L438 HydrophobicContact CB-CD1 4.4Å; V323-L438 HydrophobicContact CG1-CD1 3.74Å; V323-L441 HydrophobicContact CB-CD1 4.49Å; V323-L441 HydrophobicContact CG1-CB 4.06Å; V323-L441 HydrophobicContact CG1-CD1 3.48Å; V323-L441 VanDerWaalsContact CG1-CD1 3.48Å; V323-L441 HydrophobicContact CG1-CG 4.41Å; V323-L441 HydrophobicContact CG2-CD1 4.13Å; V323-Y445 HydrophobicContact CG2-CE2 3.92Å
324I91.6Very high82Confident67 Ų6764.4 Ų64.434%0.34429%0.291SS..Hα-helixtrans-64-43.8173.9-58.6171.7000110.7G320 V321 L322 G326 Y327 I328 L438 L442G320-I324 PolarHBondContact O-N 3.05Å; V321-I324 WeakPolarHBondContact O-CB 3.49Å; V321-I324 PolarHBondContact O-N 3.5Å; V321-I324 VanDerWaalsContact O-N 3.17Å; L322-I324 PolarHBondContact O-N 3.24Å; I324-G326 VanDerWaalsContact C-N 3.35Å; I324-G326 PolarHBondContact O-N 3.42Å; I324-Y327 WeakPolarHBondContact O-CB 3.35Å; I324-Y327 PolarHBondContact O-N 2.91Å; I324-I328 HydrophobicContact CG2-CD1 4.02Å; I324-I328 HydrophobicContact CG2-CG1 4.49Å; I324-I328 WeakPolarHBondContact O-CG1 3.17Å; I324-I328 PolarHBondContact O-N 2.67Å; I324-L438 HydrophobicContact CG1-CD1 4.11Å; I324-L442 HydrophobicContact CD1-CD2 4.37Å; I324-L442 HydrophobicContact CG1-CD1 4.45Å; I324-L442 HydrophobicContact CG1-CD2 4.27Å
325F90.2Very high83.9Confident108 Ų10862.9 Ų62.947%0.47429%0.286SS..Hα-helixtrans-61.4-43.2175.4178.1-96000112.1V321 L322 Y327 I328 S329V321-F325 PolarHBondContact O-N 3.38Å; V321-F325 VanDerWaalsContact O-N 3.12Å; L322-F325 WeakPolarHBondContact O-CB 3.41Å; L322-F325 PolarHBondContact O-N 2.86Å; L322-F325 VanDerWaalsContact O-N 3.12Å; F325-Y327 VanDerWaalsContact C-N 3.34Å; F325-Y327 PolarHBondContact O-N 3.2Å; F325-I328 PolarHBondContact O-N 3.02Å; F325-S329 WeakPolarHBondContact O-CB 3.4Å; F325-S329 PolarHBondContact O-N 3.42Å; F325-S329 PolarHBondContact O-OG 3.2Å
326G92.6Very high86Confident0 Ų057.1 Ų57.10%027%0.266CS..Hα-helixtrans-60.9-41.8173.100000111.9L322 V323 I324 S329 A330 V373L322-G326 PolarHBondContact O-N 3.47Å; V323-G326 PolarHBondContact O-N 3.15Å; I324-G326 VanDerWaalsContact C-N 3.35Å; I324-G326 PolarHBondContact O-N 3.42Å; G326-S329 PolarHBondContact O-N 2.95Å; G326-A330 PolarHBondContact O-N 3.49Å; G326-V373 WeakPolarHBondContact O-CG2 3.48Å
327Y95.5Very high88Confident52 Ų5254 Ų5420%0.20425%0.25CS..Hα-helixtrans-62.1-48175.7172.9-104.2000112.7V323 I324 F325 S329 A330 I331 A434 T435 L438V323-Y327 WeakPolarHBondContact O-CB 3.5Å; V323-Y327 PolarHBondContact O-N 3Å; I324-Y327 WeakPolarHBondContact O-CB 3.35Å; I324-Y327 PolarHBondContact O-N 2.91Å; F325-Y327 VanDerWaalsContact C-N 3.34Å; F325-Y327 PolarHBondContact O-N 3.2Å; Y327-S329 VanDerWaalsContact C-N 3.27Å; Y327-S329 PolarHBondContact O-N 3.29Å; Y327-A330 WeakPolarHBondContact O-CB 3.28Å; Y327-A330 PolarHBondContact O-N 3.08Å; Y327-A330 VanDerWaalsContact O-N 3.09Å; Y327-I331 HydrophobicContact CD1-CG1 4.35Å; Y327-I331 HydrophobicContact CD2-CD1 4.48Å; Y327-I331 HydrophobicContact CD2-CG1 4.25Å; Y327-I331 HydrophobicContact CE1-CG1 3.91Å; Y327-I331 HydrophobicContact CE2-CD1 3.74Å; Y327-I331 HydrophobicContact CE2-CG1 3.77Å; Y327-I331 WeakPolarHBondContact O-CG1 3.43Å; Y327-I331 PolarHBondContact O-N 3.45Å; Y327-A434 HydrophobicContact CD2-CB 4.03Å; Y327-A434 HydrophobicContact CE2-CB 4.05Å; Y327-T435 PolarHBondContact OH-OG1 3.05Å; Y327-T435 VanDerWaalsContact OH-OG1 3.04Å; Y327-L438 HydrophobicContact CD1-CD2 3.6Å; Y327-L438 HydrophobicContact CD2-CB 4.07Å; Y327-L438 HydrophobicContact CD2-CD2 4Å; Y327-L438 HydrophobicContact CE1-CD2 3.99Å; Y327-L438 HydrophobicContact CE2-CD2 4.38Å; Y327-L438 HydrophobicContact CG-CB 4.31Å; Y327-L438 HydrophobicContact CG-CD2 3.58Å; Y327-L438 HydrophobicContact CG-CG 4.37Å
328I95.5Very high89.9Confident92 Ų9245.7 Ų45.747%0.47222%0.221SC..Hα-helixtrans-59.1-44.3178.2-67.1167.4000109.8I324 F325 A330 I331 V332I324-I328 HydrophobicContact CG2-CD1 4.02Å; I324-I328 HydrophobicContact CG2-CG1 4.49Å; I324-I328 WeakPolarHBondContact O-CG1 3.17Å; I324-I328 PolarHBondContact O-N 2.67Å; F325-I328 PolarHBondContact O-N 3.02Å; I328-A330 VanDerWaalsContact C-N 3.29Å; I328-A330 PolarHBondContact O-N 3.04Å; I328-I331 PolarHBondContact O-N 3.3Å; I328-V332 HydrophobicContact CG2-CG2 4.34Å; I328-V332 VanDerWaalsContact O-CG2 3.28Å; I328-V332 WeakPolarHBondContact O-CG2 3.46Å; I328-V332 PolarHBondContact O-N 3.42Å
329S95.5Very high91.5Very high6 Ų642.2 Ų42.24%0.04220%0.202CC..Hα-helixtrans-59.1-40.3176.4-58.40000112.1F325 G326 Y327 A333F325-S329 WeakPolarHBondContact O-CB 3.4Å; F325-S329 PolarHBondContact O-N 3.42Å; F325-S329 PolarHBondContact O-OG 3.2Å; G326-S329 PolarHBondContact O-N 2.95Å; Y327-S329 VanDerWaalsContact C-N 3.27Å; Y327-S329 PolarHBondContact O-N 3.29Å; S329-A333 VanDerWaalsContact O-CB 3.29Å; S329-A333 WeakPolarHBondContact O-CB 3.45Å; S329-A333 PolarHBondContact O-N 2.9Å
330A97.1Very high92.9Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-64.1-47.817700000112F262 G326 Y327 I328 V332 A333 G334 V373 F430F262-A330 HydrophobicContact CZ-CB 3.82Å; G326-A330 PolarHBondContact O-N 3.49Å; Y327-A330 WeakPolarHBondContact O-CB 3.28Å; Y327-A330 PolarHBondContact O-N 3.08Å; Y327-A330 VanDerWaalsContact O-N 3.09Å; I328-A330 VanDerWaalsContact C-N 3.29Å; I328-A330 PolarHBondContact O-N 3.04Å; A330-V332 VanDerWaalsContact C-N 3.34Å; A330-V332 PolarHBondContact O-N 3.22Å; A330-A333 PolarHBondContact O-N 3.45Å; A330-G334 PolarHBondContact O-N 3.48Å; A330-V373 HydrophobicContact CB-CG1 4.07Å; A330-V373 HydrophobicContact CB-CG2 3.71Å; A330-V373 VanDerWaalsContact N-CG2 3.33Å; A330-F430 HydrophobicContact CB-CE1 3.77Å; A330-F430 HydrophobicContact CB-CZ 3.86Å; A330-F430 WeakPolarHBondContact O-CE1 3.43Å
331I98Very high93.8Very high50 Ų5037.4 Ų37.426%0.25618%0.179SC..Hα-helixtrans-62-43.9178.8-61.9-54.3000111Y327 I328 G334 Y335 V431Y327-I331 HydrophobicContact CD1-CG1 4.35Å; Y327-I331 HydrophobicContact CD2-CD1 4.48Å; Y327-I331 HydrophobicContact CD2-CG1 4.25Å; Y327-I331 HydrophobicContact CE1-CG1 3.91Å; Y327-I331 HydrophobicContact CE2-CD1 3.74Å; Y327-I331 HydrophobicContact CE2-CG1 3.77Å; Y327-I331 WeakPolarHBondContact O-CG1 3.43Å; Y327-I331 PolarHBondContact O-N 3.45Å; I328-I331 PolarHBondContact O-N 3.3Å; I331-G334 PolarHBondContact O-N 3.19Å; I331-Y335 VanDerWaalsContact O-CB 3.29Å; I331-Y335 WeakPolarHBondContact O-CB 3.15Å; I331-Y335 PolarHBondContact O-N 2.93Å; I331-V431 HydrophobicContact CD1-CB 4.34Å; I331-V431 HydrophobicContact CD1-CG1 3.78Å; I331-V431 HydrophobicContact CD1-CG2 4.12Å
332V97.5Very high94.4Very high53 Ų5334.8 Ų34.832%0.32116%0.163SC..Hα-helixtrans-64.9-44.3178.6174.60000111.3I328 A330 Y335 F336 L369I328-V332 HydrophobicContact CG2-CG2 4.34Å; I328-V332 VanDerWaalsContact O-CG2 3.28Å; I328-V332 WeakPolarHBondContact O-CG2 3.46Å; I328-V332 PolarHBondContact O-N 3.42Å; A330-V332 VanDerWaalsContact C-N 3.34Å; A330-V332 PolarHBondContact O-N 3.22Å; V332-Y335 PolarHBondContact O-N 3.42Å; V332-F336 HydrophobicContact CG1-CD2 3.62Å; V332-F336 HydrophobicContact CG1-CE2 3.65Å; V332-F336 WeakPolarHBondContact O-CD2 3.3Å; V332-F336 PolarHBondContact O-N 3.21Å; V332-L369 HydrophobicContact CB-CD1 4.15Å; V332-L369 HydrophobicContact CG1-CD1 3.62Å
333A97.4Very high94.7Very high0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-61.1-48176.700000111.8S329 A330 F336 T337 I366 L369 F370S329-A333 VanDerWaalsContact O-CB 3.29Å; S329-A333 WeakPolarHBondContact O-CB 3.45Å; S329-A333 PolarHBondContact O-N 2.9Å; A330-A333 PolarHBondContact O-N 3.45Å; A333-F336 PolarHBondContact O-N 3.24Å; A333-T337 WeakPolarHBondContact O-CB 3.31Å; A333-T337 PolarHBondContact O-N 3.35Å; A333-T337 PolarHBondContact O-OG1 2.92Å; A333-I366 HydrophobicContact CB-CG2 4.48Å; A333-L369 HydrophobicContact CB-CB 3.81Å; A333-L369 HydrophobicContact CB-CD1 4.33Å; A333-F370 HydrophobicContact CB-CD1 4.09Å; A333-F370 HydrophobicContact CB-CD2 4.42Å; A333-F370 HydrophobicContact CB-CE1 3.92Å; A333-F370 HydrophobicContact CB-CE2 4.28Å; A333-F370 HydrophobicContact CB-CG 4.31Å; A333-F370 HydrophobicContact CB-CZ 4.01Å
334G96.9Very high94.8Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-61.5-44.8177.600000112.6A330 I331 T337 F338A330-G334 PolarHBondContact O-N 3.48Å; I331-G334 PolarHBondContact O-N 3.19Å; G334-T337 PolarHBondContact O-N 2.98Å; G334-F338 WeakPolarHBondContact O-CB 3.44Å; G334-F338 PolarHBondContact O-N 2.89Å
335Y96.7Very high94.8Very high127 Ų12734.4 Ų34.450%0.49816%0.163SC..Hα-helixtrans-60.4-50.7177.3176.8-102.2000112.3I331 V332 T337 F338 M339I331-Y335 VanDerWaalsContact O-CB 3.29Å; I331-Y335 WeakPolarHBondContact O-CB 3.15Å; I331-Y335 PolarHBondContact O-N 2.93Å; V332-Y335 PolarHBondContact O-N 3.42Å; Y335-T337 VanDerWaalsContact C-N 3.33Å; Y335-T337 PolarHBondContact O-N 2.96Å; Y335-F338 WeakPolarHBondContact O-CB 3.34Å; Y335-F338 PolarHBondContact O-N 2.85Å; Y335-M339 HydrophobicContact CD1-CG 4.37Å; Y335-M339 HydrophobicContact CD2-CG 4.42Å; Y335-M339 HydrophobicContact CE1-CG 3.98Å; Y335-M339 HydrophobicContact CE2-CG 4.03Å; Y335-M339 HydrophobicContact CE2-SD 4.28Å; Y335-M339 VanDerWaalsContact O-CG 3.3Å; Y335-M339 WeakPolarHBondContact O-CG 3.29Å; Y335-M339 PolarHBondContact O-N 3.42Å
336F96.3Very high94.8Very high64 Ų6429.3 Ų29.328%0.28114%0.141SC..Hα-helixtrans-70.1-30.7-179.9-76.5-60.5000113V332 A333 M339 M340 L362 I366V332-F336 HydrophobicContact CG1-CD2 3.62Å; V332-F336 HydrophobicContact CG1-CE2 3.65Å; V332-F336 WeakPolarHBondContact O-CD2 3.3Å; V332-F336 PolarHBondContact O-N 3.21Å; A333-F336 PolarHBondContact O-N 3.24Å; F336-M339 PolarHBondContact O-N 3.47Å; F336-M340 WeakPolarHBondContact O-CB 3.43Å; F336-M340 PolarHBondContact O-N 2.76Å; F336-L362 HydrophobicContact CB-CD1 4.1Å; F336-L362 HydrophobicContact CB-CG 4.5Å; F336-L362 HydrophobicContact CD1-CD1 3.9Å; F336-L362 HydrophobicContact CD1-CD2 4.08Å; F336-L362 HydrophobicContact CD2-CD1 4.28Å; F336-L362 HydrophobicContact CE1-CD1 4.37Å; F336-L362 HydrophobicContact CG-CD1 3.86Å; F336-I366 HydrophobicContact CB-CD1 3.75Å; F336-I366 HydrophobicContact CB-CG1 3.75Å
337T96.1Very high94.7Very high1 Ų131.8 Ų31.81%0.00615%0.153CC..Hα-helixtrans-60.4-47.2170.6-56.20000110.4Y274 A333 G334 Y335 M339 M340 L341 I366 L423 I427Y274-T337 HydrophobicContact CD2-CG2 4.31Å; Y274-T337 HydrophobicContact CE2-CG2 4.32Å; A333-T337 WeakPolarHBondContact O-CB 3.31Å; A333-T337 PolarHBondContact O-N 3.35Å; A333-T337 PolarHBondContact O-OG1 2.92Å; G334-T337 PolarHBondContact O-N 2.98Å; Y335-T337 VanDerWaalsContact C-N 3.33Å; Y335-T337 PolarHBondContact O-N 2.96Å; T337-M339 VanDerWaalsContact C-N 3.33Å; T337-M339 PolarHBondContact O-N 3.45Å; T337-M340 PolarHBondContact O-N 3.42Å; T337-L341 HydrophobicContact CG2-CD1 4.02Å; T337-L341 PolarHBondContact O-N 3.46Å; T337-I366 VanDerWaalsContact OG1-CG2 3.27Å; T337-I366 WeakPolarHBondContact OG1-CG2 3.39Å; T337-L423 HydrophobicContact CG2-CD1 4.48Å; T337-L423 HydrophobicContact CG2-CD2 4.26Å; T337-I427 HydrophobicContact CG2-CD1 3.75Å; T337-I427 HydrophobicContact CG2-CG1 4.47Å
338F95.1Very high94.3Very high59 Ų5935 Ų3526%0.25917%0.168SC..Hα-helixtrans-60.4-41.7177.1174.4-91.9000112.1G334 Y335 S354 Y355 H424 I427G334-F338 WeakPolarHBondContact O-CB 3.44Å; G334-F338 PolarHBondContact O-N 2.89Å; Y335-F338 WeakPolarHBondContact O-CB 3.34Å; Y335-F338 PolarHBondContact O-N 2.85Å; F338-S354 PolarHBondContact O-OG 2.77Å; F338-S354 VanDerWaalsContact O-OG 3.11Å; F338-Y355 HydrophobicContact CD1-CD2 4.37Å; F338-Y355 HydrophobicContact CD1-CE2 4.2Å; F338-Y355 AromaticContact CE1-CD2 3.96Å; F338-Y355 HydrophobicContact CE1-CD2 3.96Å; F338-Y355 AromaticContact CE1-CE2 3.43Å; F338-Y355 HydrophobicContact CE1-CE2 3.43Å; F338-Y355 VanDerWaalsContact CE1-CE2 3.43Å; F338-Y355 HydrophobicContact CE2-CE2 4.49Å; F338-Y355 AromaticContact CZ-CE2 3.61Å; F338-Y355 HydrophobicContact CZ-CE2 3.61Å; F338-H424 HydrophobicContact CD2-CB 4.01Å; F338-H424 AromaticContact CD2-CD2 3.67Å; F338-H424 AromaticContact CD2-CG 3.58Å; F338-H424 AromaticContact CD2-ND1 3.82Å; F338-H424 AromaticContact CD2-NE2 4Å; F338-H424 HydrophobicContact CE2-CB 3.92Å; F338-H424 AromaticContact CE2-CE1 3.73Å; F338-H424 AromaticContact CE2-CG 3.51Å; F338-H424 AromaticContact CE2-ND1 3.33Å; F338-H424 VanDerWaalsContact CE2-ND1 3.33Å; F338-H424 WeakPolarHBondContact CE2-ND1 3.08Å; F338-I427 HydrophobicContact CB-CD1 3.83Å; F338-I427 HydrophobicContact CB-CG2 4.42Å
339M94.3Very high94Very high34 Ų3434.2 Ų34.217%0.16717%0.165CC..Hα-helixtrans-74.4-32.7-178.1-66.9-62.9-70.900113.6Y335 F336 T337 S354 Y355 I356Y335-M339 HydrophobicContact CD1-CG 4.37Å; Y335-M339 HydrophobicContact CD2-CG 4.42Å; Y335-M339 HydrophobicContact CE1-CG 3.98Å; Y335-M339 HydrophobicContact CE2-CG 4.03Å; Y335-M339 HydrophobicContact CE2-SD 4.28Å; Y335-M339 VanDerWaalsContact O-CG 3.3Å; Y335-M339 WeakPolarHBondContact O-CG 3.29Å; Y335-M339 PolarHBondContact O-N 3.42Å; F336-M339 PolarHBondContact O-N 3.47Å; T337-M339 VanDerWaalsContact C-N 3.33Å; T337-M339 PolarHBondContact O-N 3.45Å; M339-S354 PolarHBondContact O-OG 2.9Å; M339-Y355 HydrophobicContact CE-CG 4.23Å; M339-Y355 PolarHBondContact O-N 3.14Å; M339-Y355 HydrophobicContact SD-CD2 4.08Å; M339-Y355 HydrophobicContact SD-CG 4.1Å; M339-I356 HydrophobicContact CB-CD1 3.76Å; M339-I356 HydrophobicContact CB-CG1 4.14Å; M339-I356 HydrophobicContact CE-CD1 4.03Å; M339-I356 HydrophobicContact CE-CG1 4.08Å; M339-I356 HydrophobicContact CG-CD1 4.47Å; M339-I356 PolarHBondContact O-N 3.36Å
340M94.1Very high93.7Very high0 Ų034.4 Ų34.40%017%0.166CC..Hα-helixtrans-95.3-41-171.2-173.8-172.870.800113.3L278 F284 F336 T337 L362 A363 I366L278-M340 HydrophobicContact CD2-CE 4.31Å; F284-M340 HydrophobicContact CZ-CE 4.42Å; F336-M340 WeakPolarHBondContact O-CB 3.43Å; F336-M340 PolarHBondContact O-N 2.76Å; T337-M340 PolarHBondContact O-N 3.42Å; M340-L362 HydrophobicContact CB-CD2 4.25Å; M340-L362 HydrophobicContact CG-CD2 4.36Å; M340-L362 HydrophobicContact SD-CB 4.02Å; M340-L362 HydrophobicContact SD-CD2 4.04Å; M340-L362 HydrophobicContact SD-CG 4Å; M340-A363 HydrophobicContact CE-CB 3.7Å; M340-A363 HydrophobicContact SD-CB 4.11Å; M340-I366 HydrophobicContact CE-CD1 3.77Å; M340-I366 HydrophobicContact SD-CD1 4.29Å
341L93.9Very high93.2Very high0 Ų039 Ų390%019%0.191CC..SBendtrans-95.4142.4-170.3-68.4179.8000112.3Y274 A277 L278 C281 F284 T337 S354 L423Y274-L341 HydrophobicContact CD2-CD1 4.11Å; Y274-L341 HydrophobicContact CE2-CD1 3.75Å; A277-L341 HydrophobicContact CB-CD1 3.81Å; L278-L341 HydrophobicContact CD2-CD1 4.43Å; L278-L341 HydrophobicContact CD2-CD2 4.09Å; C281-L341 HydrophobicContact CB-CD2 4.35Å; F284-L341 HydrophobicContact CE2-CD2 4.18Å; T337-L341 HydrophobicContact CG2-CD1 4.02Å; T337-L341 PolarHBondContact O-N 3.46Å; L341-S354 WeakPolarHBondContact O-CB 3.24Å; L341-S354 PolarHBondContact O-OG 2.73Å; L341-L423 HydrophobicContact CB-CD2 3.65Å; L341-L423 HydrophobicContact CD1-CD2 4.28Å
342P92.9Very high92.8Very high3 Ų341.2 Ų41.22%0.01920%0.2CC..  trans-65.1151.8175.7-20.333.3000112.3N344 S345 T350 E352P342-N344 VanDerWaalsContact C-N 3.27Å; P342-N344 PolarHBondContact O-N 3.48Å; P342-S345 PolarHBondContact O-N 3.11Å; P342-S345 PolarHBondContact O-OG 3.27Å; P342-S345 VanDerWaalsContact O-OG 3.05Å; P342-T350 HydrophobicContact CB-CG2 3.71Å; P342-T350 HydrophobicContact CG-CG2 4.01Å; P342-E352 HydrophobicContact CB-CB 4.23Å; P342-E352 VanDerWaalsContact CG-O 3.28Å; P342-E352 WeakPolarHBondContact CG-O 3.33Å
343T92.7Very high92Very high39 Ų3943.7 Ų43.724%0.23921%0.211CC..THydrogen-bonded Turntrans-62.8-32.1-176.3-53.60000113.6L422 L423 H424T343-L422 HydrophobicContact CG2-CB 3.53Å; T343-L422 HydrophobicContact CG2-CD1 3.75Å; T343-L422 HydrophobicContact CG2-CD2 4.2Å; T343-L422 HydrophobicContact CG2-CG 4.01Å; T343-L423 PolarHBondContact O-N 2.93Å; T343-H424 HydrophobicContact CG2-CB 4.46Å; T343-H424 PolarHBondContact OG1-CE1 3.06Å; T343-H424 PolarHBondContact OG1-ND1 3Å; T343-H424 PolarHBondContact OG1-NE2 3.3Å
344N91.7Very high91.4Very high35 Ų3544.6 Ų44.619%0.18722%0.217CC..THydrogen-bonded Turntrans-89.7-9.5-178.7-74-54.9000114.4P342 S346 I347 K348 T350 E352 L422P342-N344 VanDerWaalsContact C-N 3.27Å; P342-N344 PolarHBondContact O-N 3.48Å; N344-S346 PolarHBondContact O-N 2.73Å; N344-S346 VanDerWaalsContact O-N 3.14Å; N344-I347 PolarHBondContact O-N 3.33Å; N344-K348 PolarHBondContact O-N 3.41Å; N344-T350 HydrophobicContact CB-CG2 4.32Å; N344-E352 PolarHBondContact ND2-OE1 3.26Å; N344-E352 PolarHBondContact ND2-OE2 3.16Å; N344-L422 WeakPolarHBondContact OD1-CD2 3.5Å
345S91.6Very high91Very high0 Ų051.9 Ų51.90%025%0.246CC..THydrogen-bonded Turntrans-67.3-19.9-169.169.30000113.4A277 H280 P342 I347A277-S345 WeakPolarHBondContact CA-O 3.3Å; A277-S345 WeakPolarHBondContact O-CB 3.48Å; A277-S345 PolarHBondContact O-OG 3.23Å; H280-S345 WeakPolarHBondContact CB-O 3.38Å; H280-S345 PolarHBondContact ND1-O 3.21Å; P342-S345 PolarHBondContact O-N 3.11Å; P342-S345 PolarHBondContact O-OG 3.27Å; P342-S345 VanDerWaalsContact O-OG 3.05Å; S345-I347 PolarHBondContact O-N 3.5Å
346S89.2Confident90.7Very high0 Ų048.8 Ų48.80%024%0.237CC..THydrogen-bonded Turntrans-67.7-22.3172.855.80000113.8Y51 N344Y51-S346 PolarHBondContact OH-O 3.47Å; Y51-S346 VanDerWaalsContact OH-O 3.08Å; N344-S346 PolarHBondContact O-N 2.73Å; N344-S346 VanDerWaalsContact O-N 3.14Å
347I90.1Very high90.2Very high52 Ų5250.3 Ų50.327%0.26725%0.252SS..THydrogen-bonded Turntrans-108.2-40-171.2-58.8172.9000111.3N344 S345 L422N344-I347 PolarHBondContact O-N 3.33Å; S345-I347 PolarHBondContact O-N 3.5Å; I347-L422 HydrophobicContact CD1-CD2 4.3Å
348K88.6Confident89.8Confident120 Ų12051.6 Ų51.652%0.52226%0.26SS..SBendtrans-155.3160.4-172.263.2179-177.3178.30112.3H280 N344 T350H280-K348 WeakPolarHBondContact CB-O 3.29Å; N344-K348 PolarHBondContact O-N 3.41Å; K348-T350 PolarHBondContact O-N 3.39Å
349D88.1Confident89.7Confident75 Ų7552.2 Ų52.240%0.40127%0.266SS..  trans-49.8130.7169.2-70.7-23.1000111.5H280 L282H280-D349 WeakPolarHBondContact CA-OD1 3.45Å; H280-D349 IonicContact CD2-OD1 3.56Å; H280-D349 PolarHBondContact CD2-OD1 3.37Å; H280-D349 VanDerWaalsContact CD2-OD1 3.23Å; H280-D349 IonicContact CG-OD1 3.88Å; H280-D349 WeakPolarHBondContact O-CA 3.34Å; L282-D349 HydrophobicContact CD1-CB 4.23Å; L282-D349 HydrophobicContact CD2-CB 4.28Å; L282-D349 HydrophobicContact CG-CB 4.27Å
350T90.3Very high89.6Confident11 Ų1152.2 Ų52.27%0.06727%0.268CS..BIsolated β-bridgetrans-150.1141.9-179.7-177.10000112.9H280 L282 P342 N344 K348 E352H280-T350 PolarHBondContact O-N 3.04Å; L282-T350 PolarHBondContact N-O 3.43Å; P342-T350 HydrophobicContact CB-CG2 3.71Å; P342-T350 HydrophobicContact CG-CG2 4.01Å; N344-T350 HydrophobicContact CB-CG2 4.32Å; K348-T350 PolarHBondContact O-N 3.39Å; T350-E352 WeakPolarHBondContact OG1-CB 3.36Å; T350-E352 WeakPolarHBondContact OG1-CG 3.5Å; T350-E352 PolarHBondContact OG1-N 3.1Å; T350-E352 PolarHBondContact OG1-OE2 2.63Å
351D86.7Confident89.6Confident97 Ų9761.7 Ų61.752%0.51931%0.305SS..  trans-101.42.6174-83-46.6000113.2L282 R283L282-D351 WeakPolarHBondContact CB-OD1 3.47Å; L282-D351 WeakPolarHBondContact CD1-OD2 3.2Å; R283-D351 PolarHBondContact NE-O 3.38Å; R283-D351 PolarHBondContact NH2-O 3.25Å; R283-D351 VanDerWaalsContact NH2-O 3.09Å
352E87.9Confident89.7Confident95 Ų9563.1 Ų63.144%0.44431%0.313SS..  trans-59.4147.5-178.6-70.9171.4169.200111.9P342 N344 T350P342-E352 HydrophobicContact CB-CB 4.23Å; P342-E352 VanDerWaalsContact CG-O 3.28Å; P342-E352 WeakPolarHBondContact CG-O 3.33Å; N344-E352 PolarHBondContact ND2-OE1 3.26Å; N344-E352 PolarHBondContact ND2-OE2 3.16Å; T350-E352 WeakPolarHBondContact OG1-CB 3.36Å; T350-E352 WeakPolarHBondContact OG1-CG 3.5Å; T350-E352 PolarHBondContact OG1-N 3.1Å; T350-E352 PolarHBondContact OG1-OE2 2.63Å
353L80.7Confident89.8Confident105 Ų10563 Ų6355%0.5531%0.312SS..  trans-86134.8171.6-91.4147.1000110.2R283R283-L353 VanDerWaalsContact NH1-CD2 3.29Å; R283-L353 VanDerWaalsContact NH2-CD1 3.31Å
354S84.8Confident90Very high19 Ų1961.6 Ų61.613%0.13330%0.303CS..  trans-89.3-164.1156.4-162.80000109.8F338 M339 L341F338-S354 PolarHBondContact O-OG 2.77Å; F338-S354 VanDerWaalsContact O-OG 3.11Å; M339-S354 PolarHBondContact O-OG 2.9Å; L341-S354 WeakPolarHBondContact O-CB 3.24Å; L341-S354 PolarHBondContact O-OG 2.73Å
355Y88.7Confident90.3Very high153 Ų15363.9 Ų63.960%0.632%0.315SS*.SBendtrans-71.2-29.6-176.2-59.1-82.7000113.7F338 M339F338-Y355 HydrophobicContact CD1-CD2 4.37Å; F338-Y355 HydrophobicContact CD1-CE2 4.2Å; F338-Y355 AromaticContact CE1-CD2 3.96Å; F338-Y355 HydrophobicContact CE1-CD2 3.96Å; F338-Y355 AromaticContact CE1-CE2 3.43Å; F338-Y355 HydrophobicContact CE1-CE2 3.43Å; F338-Y355 VanDerWaalsContact CE1-CE2 3.43Å; F338-Y355 HydrophobicContact CE2-CE2 4.49Å; F338-Y355 AromaticContact CZ-CE2 3.61Å; F338-Y355 HydrophobicContact CZ-CE2 3.61Å; M339-Y355 HydrophobicContact CE-CG 4.23Å; M339-Y355 PolarHBondContact O-N 3.14Å; M339-Y355 HydrophobicContact SD-CD2 4.08Å; M339-Y355 HydrophobicContact SD-CG 4.1Å
356I90.2Very high90.6Very high62 Ų6263.9 Ų63.932%0.31832%0.315SS..SBendtrans-124.5146179.3-56.2178.4000108.7M339M339-I356 HydrophobicContact CB-CD1 3.76Å; M339-I356 HydrophobicContact CB-CG1 4.14Å; M339-I356 HydrophobicContact CE-CD1 4.03Å; M339-I356 HydrophobicContact CE-CG1 4.08Å; M339-I356 HydrophobicContact CG-CD1 4.47Å; M339-I356 PolarHBondContact O-N 3.36Å
357T87.6Confident90.9Very high96 Ų9663.9 Ų63.959%0.58932%0.315SS*.  trans-63133.4173.946.20000110.9N359T357-N359 PolarHBondContact O-N 3.23Å
358P87.3Confident91.2Very high28 Ų2864.1 Ų64.118%0.18231%0.314CS..  trans-54.6123.8177.1-28.336.1000111.7R283 F284R283-P358 HydrophobicContact CB-CG 4.12Å; F284-P358 HydrophobicContact CD1-CB 4.28Å; F284-P358 HydrophobicContact CE1-CB 3.79Å; F284-P358 HydrophobicContact CE2-CB 4.06Å; F284-P358 HydrophobicContact CZ-CB 3.67Å
359N91.7Very high91.6Very high72 Ų7259.3 Ų59.339%0.38529%0.294SS..  trans-128125.9-178.2-179.1-21.5000109.4T357 Y361 L362 A363T357-N359 PolarHBondContact O-N 3.23Å; N359-Y361 VanDerWaalsContact C-N 3.31Å; N359-Y361 PolarHBondContact O-N 2.98Å; N359-Y361 VanDerWaalsContact OD1-CD2 3.29Å; N359-Y361 WeakPolarHBondContact OD1-CD2 3.28Å; N359-Y361 PolarHBondContact OD1-N 3.29Å; N359-L362 HydrophobicContact CB-CB 4.23Å; N359-L362 PolarHBondContact O-N 3.48Å; N359-A363 WeakPolarHBondContact O-CB 3.46Å; N359-A363 PolarHBondContact O-N 3.46Å
360V92.3Very high92Very high35 Ų3555.8 Ų55.821%0.21228%0.275CS..Hα-helixtrans-59.6-40.8-177.8-175.70000111.8F284 Y291 L294 L362 A363 M364F284-V360 HydrophobicContact CD1-CG2 4.04Å; F284-V360 HydrophobicContact CE1-CG2 4.07Å; Y291-V360 HydrophobicContact CD1-CG1 4.18Å; Y291-V360 HydrophobicContact CD2-CG2 4.24Å; Y291-V360 HydrophobicContact CE1-CG1 3.94Å; Y291-V360 HydrophobicContact CE1-CG2 4.07Å; Y291-V360 HydrophobicContact CE2-CG2 3.53Å; Y291-V360 VanDerWaalsContact CZ-CG2 3.43Å; Y291-V360 WeakPolarHBondContact OH-CG2 3.49Å; L294-V360 HydrophobicContact CD2-CG1 4.22Å; V360-L362 VanDerWaalsContact C-N 3.35Å; V360-L362 PolarHBondContact O-N 3.27Å; V360-A363 WeakPolarHBondContact O-CB 3.42Å; V360-A363 PolarHBondContact O-N 2.66Å; V360-M364 HydrophobicContact CG1-CG 4.39Å; V360-M364 VanDerWaalsContact O-CG 3.3Å; V360-M364 WeakPolarHBondContact O-CG 3.5Å; V360-M364 PolarHBondContact O-N 2.97Å
361Y95.1Very high92.3Very high199 Ų19955.2 Ų55.278%0.7827%0.272SS*.Hα-helixtrans-64.3-41.6-179.7-59-69.9000111.8N359 M364 L365N359-Y361 VanDerWaalsContact C-N 3.31Å; N359-Y361 PolarHBondContact O-N 2.98Å; N359-Y361 VanDerWaalsContact OD1-CD2 3.29Å; N359-Y361 WeakPolarHBondContact OD1-CD2 3.28Å; N359-Y361 PolarHBondContact OD1-N 3.29Å; Y361-M364 PolarHBondContact O-N 3.07Å; Y361-L365 PolarHBondContact O-N 3.49Å
362L95.5Very high92.6Very high30 Ų3050.9 Ų50.916%0.15725%0.25CC..Hα-helixtrans-67.6-40.2175.3-176.859.2000110.9F336 M340 N359 V360 M364 L365 I366F336-L362 HydrophobicContact CB-CD1 4.1Å; F336-L362 HydrophobicContact CB-CG 4.5Å; F336-L362 HydrophobicContact CD1-CD1 3.9Å; F336-L362 HydrophobicContact CD1-CD2 4.08Å; F336-L362 HydrophobicContact CD2-CD1 4.28Å; F336-L362 HydrophobicContact CE1-CD1 4.37Å; F336-L362 HydrophobicContact CG-CD1 3.86Å; M340-L362 HydrophobicContact CB-CD2 4.25Å; M340-L362 HydrophobicContact CG-CD2 4.36Å; M340-L362 HydrophobicContact SD-CB 4.02Å; M340-L362 HydrophobicContact SD-CD2 4.04Å; M340-L362 HydrophobicContact SD-CG 4Å; N359-L362 HydrophobicContact CB-CB 4.23Å; N359-L362 PolarHBondContact O-N 3.48Å; V360-L362 VanDerWaalsContact C-N 3.35Å; V360-L362 PolarHBondContact O-N 3.27Å; L362-M364 VanDerWaalsContact C-N 3.29Å; L362-M364 PolarHBondContact O-N 3.24Å; L362-L365 HydrophobicContact CD1-CD2 4.37Å; L362-L365 PolarHBondContact O-N 3.27Å; L362-I366 HydrophobicContact CG-CD1 4.15Å; L362-I366 VanDerWaalsContact O-CG1 3.29Å; L362-I366 WeakPolarHBondContact O-CG1 3.49Å; L362-I366 PolarHBondContact O-N 3.24Å
363A95.7Very high92.9Very high1 Ų146.4 Ų46.41%0.00823%0.229CC..Hα-helixtrans-59.1-40.417600000112.4Y274 L278 F284 M340 N359 V360 A367Y274-A363 VanDerWaalsContact OH-C 3.29Å; Y274-A363 WeakPolarHBondContact OH-CA 3.49Å; Y274-A363 PolarHBondContact OH-O 3.4Å; L278-A363 HydrophobicContact CD2-CB 3.85Å; F284-A363 HydrophobicContact CZ-CB 4.22Å; M340-A363 HydrophobicContact CE-CB 3.7Å; M340-A363 HydrophobicContact SD-CB 4.11Å; N359-A363 WeakPolarHBondContact O-CB 3.46Å; N359-A363 PolarHBondContact O-N 3.46Å; V360-A363 WeakPolarHBondContact O-CB 3.42Å; V360-A363 PolarHBondContact O-N 2.66Å; A363-A367 WeakPolarHBondContact O-CB 3.37Å; A363-A367 PolarHBondContact O-N 3.29Å
364M96.6Very high93.5Very high8 Ų841.4 Ų41.44%0.03920%0.203CC..Hα-helixtrans-73.9-33.9177.8-65.5-48.4102.400112.5L278 L294 A295 F298 V360 Y361 L362 A367 F368L278-M364 HydrophobicContact CD1-CE 4.3Å; L294-M364 HydrophobicContact CB-CE 4.39Å; L294-M364 HydrophobicContact CB-SD 3.77Å; L294-M364 HydrophobicContact CD2-CE 4.41Å; L294-M364 HydrophobicContact CD2-CG 3.88Å; L294-M364 HydrophobicContact CD2-SD 3.63Å; L294-M364 HydrophobicContact CG-CG 4.18Å; L294-M364 HydrophobicContact CG-SD 3.42Å; L294-M364 WeakPolarHBondContact CG-SD 3.42Å; A295-M364 HydrophobicContact CB-CE 4.04Å; F298-M364 HydrophobicContact CB-CB 4.4Å; F298-M364 HydrophobicContact CB-SD 4.42Å; F298-M364 HydrophobicContact CD1-CB 3.86Å; F298-M364 HydrophobicContact CD2-CB 3.78Å; F298-M364 HydrophobicContact CD2-CG 3.77Å; F298-M364 HydrophobicContact CD2-SD 3.61Å; F298-M364 HydrophobicContact CE1-CB 3.99Å; F298-M364 HydrophobicContact CE2-CB 3.92Å; F298-M364 HydrophobicContact CE2-CG 3.8Å; F298-M364 HydrophobicContact CE2-SD 4.13Å; F298-M364 HydrophobicContact CG-CB 3.75Å; F298-M364 HydrophobicContact CG-CG 4.24Å; F298-M364 HydrophobicContact CG-SD 4.18Å; F298-M364 HydrophobicContact CZ-CB 4.02Å; F298-M364 HydrophobicContact CZ-CG 4.31Å; V360-M364 HydrophobicContact CG1-CG 4.39Å; V360-M364 VanDerWaalsContact O-CG 3.3Å; V360-M364 WeakPolarHBondContact O-CG 3.5Å; V360-M364 PolarHBondContact O-N 2.97Å; Y361-M364 PolarHBondContact O-N 3.07Å; L362-M364 VanDerWaalsContact C-N 3.29Å; L362-M364 PolarHBondContact O-N 3.24Å; M364-A367 WeakPolarHBondContact O-CB 3.46Å; M364-A367 PolarHBondContact O-N 3.39Å; M364-F368 WeakPolarHBondContact O-CB 3.46Å; M364-F368 PolarHBondContact O-N 3.37Å
365L97.2Very high93.8Very high83 Ų8340.5 Ų40.544%0.43520%0.197SC..Hα-helixtrans-62.7-45.2171.8178.961.9000111.4Y361 L362 A367 F368 L369Y361-L365 PolarHBondContact O-N 3.49Å; L362-L365 HydrophobicContact CD1-CD2 4.37Å; L362-L365 PolarHBondContact O-N 3.27Å; L365-A367 VanDerWaalsContact C-N 3.33Å; L365-A367 PolarHBondContact O-N 3.1Å; L365-F368 WeakPolarHBondContact O-CB 3.34Å; L365-F368 PolarHBondContact O-N 3.18Å; L365-L369 HydrophobicContact CG-CD1 4.41Å; L365-L369 VanDerWaalsContact O-CG 3.31Å; L365-L369 WeakPolarHBondContact O-CG 3.44Å; L365-L369 PolarHBondContact O-N 2.91Å
366I97.4Very high93.9Very high0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-59.2-46.2175.3-67.7162.6000110.6Y274 A333 F336 T337 M340 L362 F368 L369 F370Y274-I366 HydrophobicContact CD2-CG2 4.24Å; Y274-I366 HydrophobicContact CE1-CG2 4.27Å; Y274-I366 HydrophobicContact CE2-CB 4.33Å; Y274-I366 HydrophobicContact CE2-CG2 3.51Å; Y274-I366 WeakPolarHBondContact OH-CB 3.46Å; A333-I366 HydrophobicContact CB-CG2 4.48Å; F336-I366 HydrophobicContact CB-CD1 3.75Å; F336-I366 HydrophobicContact CB-CG1 3.75Å; T337-I366 VanDerWaalsContact OG1-CG2 3.27Å; T337-I366 WeakPolarHBondContact OG1-CG2 3.39Å; M340-I366 HydrophobicContact CE-CD1 3.77Å; M340-I366 HydrophobicContact SD-CD1 4.29Å; L362-I366 HydrophobicContact CG-CD1 4.15Å; L362-I366 VanDerWaalsContact O-CG1 3.29Å; L362-I366 WeakPolarHBondContact O-CG1 3.49Å; L362-I366 PolarHBondContact O-N 3.24Å; I366-F368 VanDerWaalsContact C-N 3.35Å; I366-F368 PolarHBondContact O-N 3.29Å; I366-L369 PolarHBondContact O-N 2.81Å; I366-L369 VanDerWaalsContact O-N 3.15Å; I366-F370 HydrophobicContact CG2-CD2 3.66Å; I366-F370 HydrophobicContact CG2-CE2 3.33Å; I366-F370 HydrophobicContact CG2-CZ 4.31Å; I366-F370 WeakPolarHBondContact O-CD2 3.47Å; I366-F370 PolarHBondContact O-N 3.48Å
367A96.7Very high94Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-56.7-48.5177.700000111.4Y274 A295 F298 I299 A363 M364 L365 L369 F370 G371Y274-A367 HydrophobicContact CE1-CB 3.88Å; A295-A367 HydrophobicContact CB-CB 4.05Å; F298-A367 HydrophobicContact CB-CB 3.92Å; I299-A367 WeakPolarHBondContact CA-O 3.19Å; I299-A367 HydrophobicContact CG1-CB 3.99Å; I299-A367 WeakPolarHBondContact CG1-O 3.27Å; A363-A367 WeakPolarHBondContact O-CB 3.37Å; A363-A367 PolarHBondContact O-N 3.29Å; M364-A367 WeakPolarHBondContact O-CB 3.46Å; M364-A367 PolarHBondContact O-N 3.39Å; L365-A367 VanDerWaalsContact C-N 3.33Å; L365-A367 PolarHBondContact O-N 3.1Å; A367-L369 VanDerWaalsContact C-N 3.33Å; A367-L369 PolarHBondContact O-N 3.45Å; A367-F370 PolarHBondContact O-N 3.46Å; A367-G371 PolarHBondContact O-N 2.79Å
368F96.7Very high94.2Very high57 Ų5725.8 Ų25.825%0.2513%0.125CC..Hα-helixtrans-57-43.9174.6170.2-90.5000112.7F298 I301 G302 V305 M364 L365 I366 G371 G372F298-F368 HydrophobicContact CB-CB 4.43Å; F298-F368 HydrophobicContact CD1-CB 4.42Å; F298-F368 VanDerWaalsContact O-CA 3.3Å; F298-F368 WeakPolarHBondContact O-CA 3.37Å; I301-F368 HydrophobicContact CB-CD2 4.32Å; I301-F368 HydrophobicContact CG2-CD2 3.99Å; I301-F368 HydrophobicContact CG2-CE2 3.97Å; G302-F368 VanDerWaalsContact CA-CE2 3.48Å; G302-F368 WeakPolarHBondContact CA-O 3.41Å; V305-F368 HydrophobicContact CB-CE2 4.25Å; V305-F368 HydrophobicContact CB-CZ 4.32Å; V305-F368 HydrophobicContact CG1-CZ 4.23Å; V305-F368 HydrophobicContact CG2-CE2 4.13Å; V305-F368 HydrophobicContact CG2-CZ 4.49Å; M364-F368 WeakPolarHBondContact O-CB 3.46Å; M364-F368 PolarHBondContact O-N 3.37Å; L365-F368 WeakPolarHBondContact O-CB 3.34Å; L365-F368 PolarHBondContact O-N 3.18Å; I366-F368 VanDerWaalsContact C-N 3.35Å; I366-F368 PolarHBondContact O-N 3.29Å; F368-G371 PolarHBondContact O-N 3.44Å; F368-G372 PolarHBondContact O-N 3.31Å
369L96.9Very high94.2Very high20 Ų2024.7 Ų24.711%0.10512%0.118CC..Hα-helixtrans-64.8-43.7179.4-68.7173.1000111.9V332 A333 L365 I366 A367 G371 G372 V373V332-L369 HydrophobicContact CB-CD1 4.15Å; V332-L369 HydrophobicContact CG1-CD1 3.62Å; A333-L369 HydrophobicContact CB-CB 3.81Å; A333-L369 HydrophobicContact CB-CD1 4.33Å; L365-L369 HydrophobicContact CG-CD1 4.41Å; L365-L369 VanDerWaalsContact O-CG 3.31Å; L365-L369 WeakPolarHBondContact O-CG 3.44Å; L365-L369 PolarHBondContact O-N 2.91Å; I366-L369 PolarHBondContact O-N 2.81Å; I366-L369 VanDerWaalsContact O-N 3.15Å; A367-L369 VanDerWaalsContact C-N 3.33Å; A367-L369 PolarHBondContact O-N 3.45Å; L369-G371 VanDerWaalsContact C-N 3.3Å; L369-G371 PolarHBondContact O-N 3.46Å; L369-G372 WeakPolarHBondContact O-CA 3.45Å; L369-G372 PolarHBondContact O-N 3.04Å; L369-G372 VanDerWaalsContact O-N 3.1Å; L369-V373 VanDerWaalsContact O-CG2 3.26Å; L369-V373 WeakPolarHBondContact O-CG2 3.44Å; L369-V373 PolarHBondContact O-N 3.43Å
370F96.7Very high94Very high0 Ų021.6 Ų21.60%010%0.101CC..Hα-helixtrans-58.3-40.8176.5-80.3-54.3000112.8N266 F269 Y274 A333 I366 A367 V373 D374 F430N266-F370 PolarHBondContact ND2-O 3.11Å; F269-F370 HydrophobicContact CB-CD1 4.26Å; F269-F370 HydrophobicContact CB-CE1 4Å; F269-F370 HydrophobicContact CB-CZ 4.34Å; F269-F370 AromaticContact CD1-CE1 3.81Å; F269-F370 HydrophobicContact CD1-CE1 3.81Å; F269-F370 HydrophobicContact CD1-CE2 4.37Å; F269-F370 AromaticContact CD1-CZ 3.56Å; F269-F370 HydrophobicContact CD1-CZ 3.56Å; F269-F370 HydrophobicContact CE1-CZ 4.32Å; F269-F370 HydrophobicContact CG-CE1 4.17Å; F269-F370 HydrophobicContact CG-CZ 4.33Å; Y274-F370 HydrophobicContact CD2-CD2 4.46Å; Y274-F370 AromaticContact CD2-CE2 3.89Å; Y274-F370 HydrophobicContact CD2-CE2 3.89Å; Y274-F370 HydrophobicContact CE2-CE2 4.31Å; Y274-F370 HydrophobicContact CG-CD2 4.3Å; Y274-F370 HydrophobicContact CG-CE2 4.13Å; A333-F370 HydrophobicContact CB-CD1 4.09Å; A333-F370 HydrophobicContact CB-CD2 4.42Å; A333-F370 HydrophobicContact CB-CE1 3.92Å; A333-F370 HydrophobicContact CB-CE2 4.28Å; A333-F370 HydrophobicContact CB-CG 4.31Å; A333-F370 HydrophobicContact CB-CZ 4.01Å; I366-F370 HydrophobicContact CG2-CD2 3.66Å; I366-F370 HydrophobicContact CG2-CE2 3.33Å; I366-F370 HydrophobicContact CG2-CZ 4.31Å; I366-F370 WeakPolarHBondContact O-CD2 3.47Å; I366-F370 PolarHBondContact O-N 3.48Å; A367-F370 PolarHBondContact O-N 3.46Å; F370-V373 PolarHBondContact O-N 2.76Å; F370-D374 PolarHBondContact O-N 3.17Å; F370-D374 VanDerWaalsContact O-N 3.14Å; F370-F430 HydrophobicContact CD1-CE2 4.47Å; F370-F430 HydrophobicContact CD1-CZ 4.25Å; F370-F430 HydrophobicContact CE1-CE1 4.38Å; F370-F430 HydrophobicContact CE1-CE2 4.03Å; F370-F430 AromaticContact CE1-CZ 3.81Å; F370-F430 HydrophobicContact CE1-CZ 3.81Å
371G94.9Very high94Very high0 Ų020 Ų200%09%0.091CC..Hα-helixtrans-66.2-39.5173.400000113.4E303 A367 F368 L369 V373 D374 S375E303-G371 WeakPolarHBondContact CA-O 3.28Å; E303-G371 VanDerWaalsContact CG-CA 3.5Å; E303-G371 VanDerWaalsContact CG-O 3.23Å; E303-G371 WeakPolarHBondContact CG-O 3.38Å; A367-G371 PolarHBondContact O-N 2.79Å; F368-G371 PolarHBondContact O-N 3.44Å; L369-G371 VanDerWaalsContact C-N 3.3Å; L369-G371 PolarHBondContact O-N 3.46Å; G371-V373 VanDerWaalsContact C-N 3.33Å; G371-V373 PolarHBondContact O-N 3.36Å; G371-D374 PolarHBondContact O-N 3.5Å; G371-S375 PolarHBondContact O-N 3.19Å; G371-S375 VanDerWaalsContact O-N 3.11Å; G371-S375 PolarHBondContact O-OG 3.41Å
372G93.4Very high93.7Very high6 Ų610.7 Ų10.76%0.0626%0.055CC..Hα-helixtrans-59.8-42.1173.500000112.8G302 F368 L369 S375 V376G302-G372 WeakPolarHBondContact O-CA 3.46Å; F368-G372 PolarHBondContact O-N 3.31Å; L369-G372 WeakPolarHBondContact O-CA 3.45Å; L369-G372 PolarHBondContact O-N 3.04Å; L369-G372 VanDerWaalsContact O-N 3.1Å; G372-S375 PolarHBondContact O-OG 3.25Å; G372-S375 VanDerWaalsContact O-OG 3.09Å; G372-V376 WeakPolarHBondContact O-CB 3.45Å; G372-V376 WeakPolarHBondContact O-CG2 3.18Å; G372-V376 PolarHBondContact O-N 2.95Å
373V95.2Very high93.2Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-60.2-51.5175.7176.70000110.8F262 N266 G326 A330 L369 F370 G371 S375 V376 W377F262-V373 HydrophobicContact CE1-CG1 3.75Å; F262-V373 HydrophobicContact CZ-CG1 3.81Å; N266-V373 HydrophobicContact CB-CG1 4.5Å; G326-V373 WeakPolarHBondContact O-CG2 3.48Å; A330-V373 HydrophobicContact CB-CG1 4.07Å; A330-V373 HydrophobicContact CB-CG2 3.71Å; A330-V373 VanDerWaalsContact N-CG2 3.33Å; L369-V373 VanDerWaalsContact O-CG2 3.26Å; L369-V373 WeakPolarHBondContact O-CG2 3.44Å; L369-V373 PolarHBondContact O-N 3.43Å; F370-V373 PolarHBondContact O-N 2.76Å; G371-V373 VanDerWaalsContact C-N 3.33Å; G371-V373 PolarHBondContact O-N 3.36Å; V373-S375 PolarHBondContact O-N 2.59Å; V373-V376 PolarHBondContact O-N 3.43Å; V373-W377 PolarHBondContact O-N 3.4Å
374D93.3Very high92.8Very high1 Ų19.9 Ų9.91%0.0055%0.052CC..Hα-helixtrans-59.1-52.5-175-17468.4000111.5Q146 N266 Y270 F370 G371 V376 W377 N378Q146-D374 PolarHBondContact NE2-OD2 3.35Å; N266-D374 WeakPolarHBondContact ND2-CA 3.42Å; N266-D374 WeakPolarHBondContact ND2-CB 3.5Å; N266-D374 PolarHBondContact ND2-N 2.82Å; Y270-D374 HydrophobicContact CD1-CB 4.02Å; Y270-D374 HydrophobicContact CE1-CB 3.72Å; Y270-D374 VanDerWaalsContact CE1-OD1 3.32Å; Y270-D374 WeakPolarHBondContact CE1-OD1 3.35Å; F370-D374 PolarHBondContact O-N 3.17Å; F370-D374 VanDerWaalsContact O-N 3.14Å; G371-D374 PolarHBondContact O-N 3.5Å; D374-V376 PolarHBondContact O-N 3.13Å; D374-W377 PolarHBondContact O-N 3.13Å; D374-N378 VanDerWaalsContact CG-ND2 3.25Å; D374-N378 WeakPolarHBondContact O-CB 3.43Å; D374-N378 PolarHBondContact O-N 2.78Å; D374-N378 PolarHBondContact O-ND2 3.35Å; D374-N378 PolarHBondContact OD1-ND2 3.06Å; D374-N378 PolarHBondContact OD2-ND2 3.09Å
375S91.6Very high92.4Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-62-45.1-177.256.20000112.8E303 G306 G371 G372 V373 T379E303-S375 WeakPolarHBondContact CA-OG 3.17Å; E303-S375 WeakPolarHBondContact O-CB 3.25Å; E303-S375 PolarHBondContact O-OG 3.2Å; G306-S375 VanDerWaalsContact CA-OG 3.29Å; G306-S375 WeakPolarHBondContact CA-OG 3.35Å; G371-S375 PolarHBondContact O-N 3.19Å; G371-S375 VanDerWaalsContact O-N 3.11Å; G371-S375 PolarHBondContact O-OG 3.41Å; G372-S375 PolarHBondContact O-OG 3.25Å; G372-S375 VanDerWaalsContact O-OG 3.09Å; V373-S375 PolarHBondContact O-N 2.59Å; S375-T379 VanDerWaalsContact O-CB 3.31Å; S375-T379 WeakPolarHBondContact O-CB 3.15Å; S375-T379 WeakPolarHBondContact O-CG2 3.48Å; S375-T379 PolarHBondContact O-N 2.91Å; S375-T379 VanDerWaalsContact O-N 3.12Å; S375-T379 PolarHBondContact O-OG1 3.25Å
376V90.6Very high91.8Very high0 Ų05.9 Ų5.90%03%0.032CC..Hα-helixtrans-63.8-50.3180171.80000110.3L322 G372 V373 D374 T379 Q380L322-V376 HydrophobicContact CB-CG1 3.96Å; L322-V376 WeakPolarHBondContact O-CG1 3.16Å; G372-V376 WeakPolarHBondContact O-CB 3.45Å; G372-V376 WeakPolarHBondContact O-CG2 3.18Å; G372-V376 PolarHBondContact O-N 2.95Å; V373-V376 PolarHBondContact O-N 3.43Å; D374-V376 PolarHBondContact O-N 3.13Å; V376-T379 PolarHBondContact O-OG1 3.23Å; V376-Q380 HydrophobicContact CG1-CG 4.43Å; V376-Q380 WeakPolarHBondContact O-CB 3.34Å; V376-Q380 VanDerWaalsContact O-CG 3.22Å; V376-Q380 WeakPolarHBondContact O-CG 3.43Å; V376-Q380 PolarHBondContact O-N 2.94Å
377W92.4Very high91.2Very high0 Ų09.5 Ų9.50%05%0.049CC..Hα-helixtrans-71.3-43.1-174.4-7951.1000112.7A259 F262 T263 V323 V373 D374 T379 Q380 I381 A434 L438 L441A259-W377 HydrophobicContact CB-CE3 4.39Å; A259-W377 HydrophobicContact CB-CZ3 4.19Å; F262-W377 HydrophobicContact CB-CZ3 4.15Å; F262-W377 AromaticContact CD1-CD2 3.89Å; F262-W377 HydrophobicContact CD1-CD2 3.89Å; F262-W377 AromaticContact CD1-CE3 3.33Å; F262-W377 HydrophobicContact CD1-CE3 3.33Å; F262-W377 AromaticContact CD1-CH2 3.55Å; F262-W377 HydrophobicContact CD1-CH2 3.55Å; F262-W377 HydrophobicContact CD1-CZ2 4.12Å; F262-W377 AromaticContact CD1-CZ3 3.14Å; F262-W377 HydrophobicContact CD1-CZ3 3.14Å; F262-W377 AromaticContact CE1-CD2 3.84Å; F262-W377 HydrophobicContact CE1-CD2 3.84Å; F262-W377 AromaticContact CE1-CE2 3.92Å; F262-W377 AromaticContact CE1-CE3 3.79Å; F262-W377 HydrophobicContact CE1-CE3 3.79Å; F262-W377 AromaticContact CE1-CH2 3.81Å; F262-W377 HydrophobicContact CE1-CH2 3.81Å; F262-W377 AromaticContact CE1-CZ2 3.91Å; F262-W377 HydrophobicContact CE1-CZ2 3.91Å; F262-W377 AromaticContact CE1-CZ3 3.78Å; F262-W377 HydrophobicContact CE1-CZ3 3.78Å; F262-W377 HydrophobicContact CG-CE3 4.44Å; F262-W377 HydrophobicContact CG-CH2 4.28Å; F262-W377 AromaticContact CG-CZ3 3.94Å; F262-W377 HydrophobicContact CG-CZ3 3.94Å; T263-W377 HydrophobicContact CG2-CB 3.64Å; T263-W377 HydrophobicContact CG2-CE3 4.09Å; T263-W377 HydrophobicContact CG2-CG 4.5Å; V323-W377 HydrophobicContact CG1-CD2 4.41Å; V323-W377 HydrophobicContact CG1-CZ2 4.01Å; V323-W377 PolarHBondContact O-NE1 3.29Å; V373-W377 PolarHBondContact O-N 3.4Å; D374-W377 PolarHBondContact O-N 3.13Å; W377-T379 PolarHBondContact O-N 2.9Å; W377-Q380 PolarHBondContact O-N 3.28Å; W377-I381 WeakPolarHBondContact O-CB 3.34Å; W377-I381 WeakPolarHBondContact O-CD1 3.4Å; W377-I381 VanDerWaalsContact O-CG1 3.23Å; W377-I381 WeakPolarHBondContact O-CG1 3.4Å; W377-I381 PolarHBondContact O-N 3.01Å; W377-A434 WeakPolarHBondContact CH2-O 3.44Å; W377-L438 HydrophobicContact CH2-CB 4.34Å; W377-L438 HydrophobicContact CZ2-CB 4.48Å; W377-L441 HydrophobicContact CD2-CD1 4.31Å; W377-L441 HydrophobicContact CE3-CD1 3.88Å; W377-L441 HydrophobicContact CZ3-CD1 4.08Å
378N91.6Very high90.7Very high2 Ų212 Ų121%0.0116%0.061CC..Hα-helixtrans-63.9-40.8178.2-79.2-87.9000111.9W142 D374 S382 Q407W142-N378 HydrophobicContact CH2-CB 3.54Å; W142-N378 HydrophobicContact CZ2-CB 3.38Å; W142-N378 HydrophobicContact CZ3-CB 4.24Å; D374-N378 VanDerWaalsContact CG-ND2 3.25Å; D374-N378 WeakPolarHBondContact O-CB 3.43Å; D374-N378 PolarHBondContact O-N 2.78Å; D374-N378 PolarHBondContact O-ND2 3.35Å; D374-N378 PolarHBondContact OD1-ND2 3.06Å; D374-N378 PolarHBondContact OD2-ND2 3.09Å; N378-S382 VanDerWaalsContact O-CB 3.26Å; N378-S382 WeakPolarHBondContact O-CB 3.22Å; N378-S382 PolarHBondContact O-N 3.27Å; N378-S382 PolarHBondContact O-OG 3.27Å; N378-Q407 PolarHBondContact OD1-NE2 3.38Å
379T87.1Confident90.2Very high4 Ų410.3 Ų10.33%0.0255%0.053CC..Hα-helixtrans-67.1-43.5178.155.50000111.6W142 S375 V376 W377 S382 A383W142-T379 HydrophobicContact CB-CG2 3.72Å; W142-T379 HydrophobicContact CD2-CG2 4.12Å; W142-T379 HydrophobicContact CG-CG2 3.64Å; S375-T379 VanDerWaalsContact O-CB 3.31Å; S375-T379 WeakPolarHBondContact O-CB 3.15Å; S375-T379 WeakPolarHBondContact O-CG2 3.48Å; S375-T379 PolarHBondContact O-N 2.91Å; S375-T379 VanDerWaalsContact O-N 3.12Å; S375-T379 PolarHBondContact O-OG1 3.25Å; V376-T379 PolarHBondContact O-OG1 3.23Å; W377-T379 PolarHBondContact O-N 2.9Å; T379-S382 PolarHBondContact O-N 3.2Å; T379-A383 VanDerWaalsContact O-CB 3.24Å; T379-A383 WeakPolarHBondContact O-CB 3.43Å; T379-A383 PolarHBondContact O-N 3.35Å
380Q87.7Confident89.2Confident8 Ų810.6 Ų10.64%0.0376%0.061CC..Hα-helixtrans-64-43.6177.5-71.1-42.2-71.900112.3L322 V323 V376 W377 A383 L384 Y445L322-Q380 HydrophobicContact CB-CG 4.42Å; V323-Q380 HydrophobicContact CG2-CB 4.15Å; V323-Q380 HydrophobicContact CG2-CG 4Å; V376-Q380 HydrophobicContact CG1-CG 4.43Å; V376-Q380 WeakPolarHBondContact O-CB 3.34Å; V376-Q380 VanDerWaalsContact O-CG 3.22Å; V376-Q380 WeakPolarHBondContact O-CG 3.43Å; V376-Q380 PolarHBondContact O-N 2.94Å; W377-Q380 PolarHBondContact O-N 3.28Å; Q380-A383 PolarHBondContact O-N 3.01Å; Q380-L384 VanDerWaalsContact O-CB 3.28Å; Q380-L384 WeakPolarHBondContact O-CB 3.4Å; Q380-L384 PolarHBondContact O-N 3.09Å; Q380-Y445 PolarHBondContact OE1-OH 2.92Å
381I91.3Very high88Confident0 Ų016.4 Ų16.40%09%0.088CC..Hα-helixtrans-64-45176.9-68.9165.9000110.8I256 A259 T263 W377 A383 L384 I385 F403 L441I256-I381 HydrophobicContact CG2-CG2 3.79Å; A259-I381 HydrophobicContact CB-CD1 3.93Å; T263-I381 HydrophobicContact CG2-CD1 3.89Å; W377-I381 WeakPolarHBondContact O-CB 3.34Å; W377-I381 WeakPolarHBondContact O-CD1 3.4Å; W377-I381 VanDerWaalsContact O-CG1 3.23Å; W377-I381 WeakPolarHBondContact O-CG1 3.4Å; W377-I381 PolarHBondContact O-N 3.01Å; I381-A383 PolarHBondContact O-N 3.11Å; I381-L384 PolarHBondContact O-N 3.49Å; I381-I385 HydrophobicContact CG2-CD1 3.78Å; I381-I385 HydrophobicContact CG2-CG1 4.39Å; I381-I385 WeakPolarHBondContact O-CG1 3.37Å; I381-I385 PolarHBondContact O-N 2.83Å; I381-F403 HydrophobicContact CB-CE2 4.3Å; I381-F403 HydrophobicContact CB-CZ 4.3Å; I381-F403 HydrophobicContact CD1-CE2 4.05Å; I381-F403 HydrophobicContact CG2-CD1 4.21Å; I381-F403 HydrophobicContact CG2-CD2 3.64Å; I381-F403 HydrophobicContact CG2-CE1 4.13Å; I381-F403 HydrophobicContact CG2-CE2 3.6Å; I381-F403 HydrophobicContact CG2-CG 3.98Å; I381-F403 HydrophobicContact CG2-CZ 3.85Å; I381-L441 HydrophobicContact CG1-CD1 4.35Å; I381-L441 HydrophobicContact CG1-CD2 4.07Å
382S89.6Confident86.8Confident4 Ų421.2 Ų21.23%0.02811%0.111CC..Hα-helixtrans-62.6-43.9179.5-59.40000111.9N378 T379 L384 I385 G386N378-S382 VanDerWaalsContact O-CB 3.26Å; N378-S382 WeakPolarHBondContact O-CB 3.22Å; N378-S382 PolarHBondContact O-N 3.27Å; N378-S382 PolarHBondContact O-OG 3.27Å; T379-S382 PolarHBondContact O-N 3.2Å; S382-L384 VanDerWaalsContact C-N 3.35Å; S382-I385 PolarHBondContact O-N 3.5Å; S382-G386 PolarHBondContact O-N 3.45Å
383A84.7Confident85.6Confident6 Ų623 Ų235%0.0513%0.129CC..Hα-helixtrans-57.3-47172.400000112N135 T379 Q380 I381 G386 F387N135-A383 WeakPolarHBondContact OD1-CB 3.45Å; T379-A383 VanDerWaalsContact O-CB 3.24Å; T379-A383 WeakPolarHBondContact O-CB 3.43Å; T379-A383 PolarHBondContact O-N 3.35Å; Q380-A383 PolarHBondContact O-N 3.01Å; I381-A383 PolarHBondContact O-N 3.11Å; A383-G386 PolarHBondContact O-N 3.24Å; A383-F387 VanDerWaalsContact O-CB 3.31Å; A383-F387 WeakPolarHBondContact O-CB 2.97Å; A383-F387 PolarHBondContact O-N 3.02Å
384L86.9Confident84.7Confident9 Ų931.1 Ų31.15%0.04716%0.159CC..Hα-helixtrans-64.3-41.9-179.3-174.261000112I256 Q380 I381 S382 F387 I388 L441 V444 Y445I256-L384 HydrophobicContact CD1-CD2 4.03Å; I256-L384 HydrophobicContact CD1-CG 4.13Å; I256-L384 HydrophobicContact CG1-CD2 3.89Å; Q380-L384 VanDerWaalsContact O-CB 3.28Å; Q380-L384 WeakPolarHBondContact O-CB 3.4Å; Q380-L384 PolarHBondContact O-N 3.09Å; I381-L384 PolarHBondContact O-N 3.49Å; S382-L384 VanDerWaalsContact C-N 3.35Å; L384-F387 PolarHBondContact O-N 3.25Å; L384-I388 HydrophobicContact CD1-CD1 3.81Å; L384-I388 HydrophobicContact CD1-CG1 4.29Å; L384-I388 HydrophobicContact CG-CD1 3.89Å; L384-I388 WeakPolarHBondContact O-CB 3.39Å; L384-I388 VanDerWaalsContact O-CG1 3.28Å; L384-I388 WeakPolarHBondContact O-CG1 3.48Å; L384-I388 PolarHBondContact O-N 3.33Å; L384-L441 HydrophobicContact CD2-CD2 4.25Å; L384-V444 HydrophobicContact CD1-CG1 4.17Å; L384-V444 HydrophobicContact CD2-CB 4.35Å; L384-V444 HydrophobicContact CD2-CG1 3.86Å; L384-V444 HydrophobicContact CG-CG1 4.41Å; L384-Y445 HydrophobicContact CD1-CE1 4.31Å
385I89.4Confident84.3Confident0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-62.9-50174.8-68.7166.8000110.5I256 I381 S382 F387 I388 Y389 F400 F403I256-I385 HydrophobicContact CD1-CG1 4.16Å; I256-I385 HydrophobicContact CG2-CD1 4.1Å; I256-I385 HydrophobicContact CG2-CG1 4.19Å; I381-I385 HydrophobicContact CG2-CD1 3.78Å; I381-I385 HydrophobicContact CG2-CG1 4.39Å; I381-I385 WeakPolarHBondContact O-CG1 3.37Å; I381-I385 PolarHBondContact O-N 2.83Å; S382-I385 PolarHBondContact O-N 3.5Å; I385-F387 PolarHBondContact O-N 3.5Å; I385-I388 PolarHBondContact O-N 3.01Å; I385-Y389 HydrophobicContact CG2-CD2 4.21Å; I385-Y389 PolarHBondContact O-N 3.24Å; I385-F400 HydrophobicContact CB-CZ 4.41Å; I385-F400 HydrophobicContact CG2-CD2 4.01Å; I385-F400 HydrophobicContact CG2-CE2 3.98Å; I385-F400 HydrophobicContact CG2-CG 4.28Å; I385-F400 HydrophobicContact CG2-CZ 4.24Å; I385-F403 HydrophobicContact CD1-CB 3.5Å; I385-F403 VanDerWaalsContact CD1-CB 3.5Å; I385-F403 HydrophobicContact CD1-CD1 3.93Å; I385-F403 HydrophobicContact CD1-CG 3.78Å
386G84.3Confident84Confident6 Ų632.4 Ų32.46%0.06217%0.166CC..Hα-helixtrans-64-30.4179.300000112.4L134 S382 A383 G390L134-G386 VanDerWaalsContact CD2-C 3.43Å; S382-G386 PolarHBondContact O-N 3.45Å; A383-G386 PolarHBondContact O-N 3.24Å; G386-G390 WeakPolarHBondContact O-CA 3.25Å; G386-G390 PolarHBondContact O-N 3.19Å
387F83.7Confident83.9Confident77 Ų7733.2 Ų33.234%0.33817%0.171SC..Hα-helixtrans-70.9-47.8174.4-171.9-79.1000112.2L134 A383 L384 I385 H448L134-F387 HydrophobicContact CD2-CB 4.49Å; A383-F387 VanDerWaalsContact O-CB 3.31Å; A383-F387 WeakPolarHBondContact O-CB 2.97Å; A383-F387 PolarHBondContact O-N 3.02Å; L384-F387 PolarHBondContact O-N 3.25Å; I385-F387 PolarHBondContact O-N 3.5Å; F387-H448 AromaticContact CD1-NE2 3.9Å; F387-H448 AromaticContact CE1-CE1 3.19Å; F387-H448 WeakPolarHBondContact CE1-CE1 3.44Å; F387-H448 AromaticContact CE1-NE2 3.07Å; F387-H448 WeakPolarHBondContact CE1-NE2 3.28Å; F387-H448 AromaticContact CZ-CE1 3.85Å; F387-H448 AromaticContact CZ-NE2 3.36Å; F387-H448 WeakPolarHBondContact CZ-NE2 3.38Å
388I85.8Confident83.8Confident52 Ų5233.4 Ų33.427%0.26717%0.172SC..Hα-helixtrans-73-41.2-175.7-66.2170.5000111.7P252 I256 L384 I385 V444P252-I388 HydrophobicContact CB-CD1 4.13Å; I256-I388 HydrophobicContact CD1-CD1 4.24Å; L384-I388 HydrophobicContact CD1-CD1 3.81Å; L384-I388 HydrophobicContact CD1-CG1 4.29Å; L384-I388 HydrophobicContact CG-CD1 3.89Å; L384-I388 WeakPolarHBondContact O-CB 3.39Å; L384-I388 VanDerWaalsContact O-CG1 3.28Å; L384-I388 WeakPolarHBondContact O-CG1 3.48Å; L384-I388 PolarHBondContact O-N 3.33Å; I385-I388 PolarHBondContact O-N 3.01Å; I388-V444 HydrophobicContact CD1-CG1 4.24Å
389Y86.6Confident83.8Confident21 Ų2133.3 Ų33.38%0.08217%0.172CC..Hα-helixtrans-111.3-6-170-58.9-76.1000113.9I247 T250 M253 I385 E391 H392 D395I247-Y389 HydrophobicContact CD1-CE1 4.48Å; I247-Y389 HydrophobicContact CG1-CE1 4.45Å; I247-Y389 HydrophobicContact CG2-CE1 3.96Å; T250-Y389 PolarHBondContact OG1-OH 3.39Å; M253-Y389 HydrophobicContact CE-CD2 4.2Å; M253-Y389 HydrophobicContact CE-CE2 3.41Å; M253-Y389 VanDerWaalsContact CE-CE2 3.41Å; I385-Y389 HydrophobicContact CG2-CD2 4.21Å; I385-Y389 PolarHBondContact O-N 3.24Å; Y389-E391 VanDerWaalsContact C-N 3.28Å; Y389-E391 PolarHBondContact O-N 2.8Å; Y389-H392 CarbonylContact O-C 3.58Å; Y389-H392 PolarHBondContact O-N 2.99Å; Y389-H392 VanDerWaalsContact O-N 3.12Å; Y389-H392 VanDerWaalsContact O-O 3.1Å; Y389-D395 HydrophobicContact CD1-CB 4.1Å
390G77.1Confident84Confident27 Ų2733.2 Ų33.228%0.27817%0.171SC..THydrogen-bonded Turntrans-64.7-23.1-174.800000115.6G386 H392G386-G390 WeakPolarHBondContact O-CA 3.25Å; G386-G390 PolarHBondContact O-N 3.19Å; G390-H392 PolarHBondContact O-N 3.3Å
391E71.4Confident84.3Confident121 Ų12133 Ų3357%0.56517%0.17SC*.THydrogen-bonded Turntrans-66.2-28.4174.8-69.4-174.4162.100112.5K131 Y389K131-E391 WeakPolarHBondContact CE-OE1 3.5Å; K131-E391 IonicContact NZ-OE1 3.87Å; K131-E391 PolarHBondContact NZ-OE1 3.26Å; Y389-E391 VanDerWaalsContact C-N 3.28Å; Y389-E391 PolarHBondContact O-N 2.8Å
392H68.4Low84.4Confident102 Ų10233.1 Ų33.147%0.47217%0.171SC..SBendtrans-110.191.7-179.3-61.785.3000108.2Y389 G390 R394 D395 V396Y389-H392 CarbonylContact O-C 3.58Å; Y389-H392 PolarHBondContact O-N 2.99Å; Y389-H392 VanDerWaalsContact O-N 3.12Å; Y389-H392 VanDerWaalsContact O-O 3.1Å; G390-H392 PolarHBondContact O-N 3.3Å; H392-R394 CarbonylContact O-C 3.44Å; H392-R394 PolarHBondContact O-N 3.32Å; H392-D395 HydrophobicContact CB-CB 3.88Å; H392-D395 IonicContact CG-OD2 2.69Å; H392-D395 WeakPolarHBondContact O-CA 3.23Å; H392-D395 PolarHBondContact O-N 3.39Å; H392-V396 PolarHBondContact O-N 2.93Å
393G69.7Low84.7Confident42 Ų4233 Ų3343%0.43317%0.17SC..Hα-helixtrans-47.6-32.6-172.500000115.7V396 T397G393-V396 WeakPolarHBondContact O-CG1 3.25Å; G393-T397 PolarHBondContact O-OG1 2.94Å
394R75.7Confident85.2Confident172 Ų17233.1 Ų33.165%0.64917%0.17SC*.Hα-helixtrans-73.5-37.3174.1-73.8-173.2-106.1-176.9-2.9113.4H392 T397 V398H392-R394 CarbonylContact O-C 3.44Å; H392-R394 PolarHBondContact O-N 3.32Å; R394-T397 PolarHBondContact O-N 3.02Å; R394-V398 WeakPolarHBondContact O-CG2 3.24Å; R394-V398 PolarHBondContact O-N 3.27Å; R394-V398 VanDerWaalsContact O-N 3.15Å
395D84.5Confident85.6Confident27 Ų2732.8 Ų32.814%0.14417%0.168CC..Hα-helixtrans-73.4-30.7-177.5-65.9-15000111.4I247 Y389 H392 V398 G399I247-D395 HydrophobicContact CD1-CB 3.86Å; Y389-D395 HydrophobicContact CD1-CB 4.1Å; H392-D395 HydrophobicContact CB-CB 3.88Å; H392-D395 IonicContact CG-OD2 2.69Å; H392-D395 WeakPolarHBondContact O-CA 3.23Å; H392-D395 PolarHBondContact O-N 3.39Å; D395-V398 PolarHBondContact O-N 2.81Å; D395-G399 PolarHBondContact O-N 3.37Å
396V86.3Confident86Confident1 Ų134.6 Ų34.61%0.00618%0.179CC..Hα-helixtrans-64.7-43.9173.358.70000111.7T126 H392 G393 V398 G399 F400T126-V396 HydrophobicContact CG2-CG2 4.13Å; H392-V396 PolarHBondContact O-N 2.93Å; G393-V396 WeakPolarHBondContact O-CG1 3.25Å; V396-V398 VanDerWaalsContact C-N 3.32Å; V396-V398 PolarHBondContact O-N 3.1Å; V396-G399 PolarHBondContact O-N 2.93Å; V396-F400 HydrophobicContact CG2-CD2 3.64Å; V396-F400 HydrophobicContact CG2-CE2 3.52Å; V396-F400 VanDerWaalsContact O-CD2 3.28Å; V396-F400 WeakPolarHBondContact O-CD2 3.38Å; V396-F400 PolarHBondContact O-N 3.22Å
397T87.4Confident86.7Confident16 Ų1634.6 Ų34.610%0.09818%0.177CC..Hα-helixtrans-61.2-42.4175.2-46.80000111.1P69 V72 T119 G393 R394 A401P69-T397 HydrophobicContact CB-CG2 3.84Å; P69-T397 HydrophobicContact CG-CG2 4.19Å; V72-T397 HydrophobicContact CB-CG2 4.36Å; V72-T397 HydrophobicContact CG1-CG2 4.39Å; T119-T397 HydrophobicContact CG2-CG2 3.37Å; G393-T397 PolarHBondContact O-OG1 2.94Å; R394-T397 PolarHBondContact O-N 3.02Å; T397-A401 VanDerWaalsContact O-CB 3.32Å; T397-A401 WeakPolarHBondContact O-CB 3.42Å; T397-A401 PolarHBondContact O-N 2.64Å
398V90.5Very high87.3Confident4 Ų431 Ų312%0.02416%0.162CC..Hα-helixtrans-64.4-41.6175.3171.10000111.7P69 S244 I247 R394 D395 V396 A401 L402P69-V398 HydrophobicContact CB-CG2 4.36Å; P69-V398 HydrophobicContact CG-CG2 4.25Å; S244-V398 WeakPolarHBondContact OG-CG1 3.34Å; I247-V398 HydrophobicContact CB-CG1 4.49Å; I247-V398 HydrophobicContact CD1-CB 4.17Å; I247-V398 HydrophobicContact CD1-CG1 3.77Å; R394-V398 WeakPolarHBondContact O-CG2 3.24Å; R394-V398 PolarHBondContact O-N 3.27Å; R394-V398 VanDerWaalsContact O-N 3.15Å; D395-V398 PolarHBondContact O-N 2.81Å; V396-V398 VanDerWaalsContact C-N 3.32Å; V396-V398 PolarHBondContact O-N 3.1Å; V398-A401 PolarHBondContact O-N 3.32Å; V398-L402 HydrophobicContact CG1-CD1 4.09Å; V398-L402 HydrophobicContact CG1-CG 4.35Å; V398-L402 WeakPolarHBondContact O-CG 3.2Å; V398-L402 PolarHBondContact O-N 2.98Å
399G91.2Very high87.9Confident0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-61.7-45.9177.500000112.5D395 V396 L402 F403D395-G399 PolarHBondContact O-N 3.37Å; V396-G399 PolarHBondContact O-N 2.93Å; G399-L402 PolarHBondContact O-N 3.18Å; G399-F403 WeakPolarHBondContact O-CB 3.45Å; G399-F403 PolarHBondContact O-N 3.37Å
400F91.5Very high88.4Confident2 Ų231.7 Ų31.71%0.00917%0.168CC..Hα-helixtrans-63.5-42173.9-82.9-68.8000112.3F138 I385 V396 F403 K404F138-F400 HydrophobicContact CE1-CE1 4.32Å; F138-F400 HydrophobicContact CE1-CZ 4Å; F138-F400 HydrophobicContact CE2-CZ 4.17Å; F138-F400 HydrophobicContact CZ-CE1 4.18Å; F138-F400 HydrophobicContact CZ-CE2 4.11Å; F138-F400 AromaticContact CZ-CZ 3.42Å; F138-F400 HydrophobicContact CZ-CZ 3.42Å; F138-F400 VanDerWaalsContact CZ-CZ 3.42Å; I385-F400 HydrophobicContact CB-CZ 4.41Å; I385-F400 HydrophobicContact CG2-CD2 4.01Å; I385-F400 HydrophobicContact CG2-CE2 3.98Å; I385-F400 HydrophobicContact CG2-CG 4.28Å; I385-F400 HydrophobicContact CG2-CZ 4.24Å; V396-F400 HydrophobicContact CG2-CD2 3.64Å; V396-F400 HydrophobicContact CG2-CE2 3.52Å; V396-F400 VanDerWaalsContact O-CD2 3.28Å; V396-F400 WeakPolarHBondContact O-CD2 3.38Å; V396-F400 PolarHBondContact O-N 3.22Å; F400-F403 HydrophobicContact CD1-CD1 4.33Å; F400-F403 PolarHBondContact O-N 2.94Å; F400-K404 WeakPolarHBondContact O-CB 3.46Å; F400-K404 WeakPolarHBondContact O-CG 3.47Å; F400-K404 PolarHBondContact O-N 3.14Å
401A93.5Very high89.4Confident3 Ų330.4 Ų30.43%0.02516%0.155CC..Hα-helixtrans-60.7-44.917600000112.1N65 P69 T119 T397 V398 K404 S405N65-A401 WeakPolarHBondContact CB-O 3.14Å; N65-A401 WeakPolarHBondContact O-CB 3.45Å; P69-A401 HydrophobicContact CG-CB 3.66Å; T119-A401 HydrophobicContact CG2-CB 4.19Å; T397-A401 VanDerWaalsContact O-CB 3.32Å; T397-A401 WeakPolarHBondContact O-CB 3.42Å; T397-A401 PolarHBondContact O-N 2.64Å; V398-A401 PolarHBondContact O-N 3.32Å; A401-K404 PolarHBondContact O-N 3.49Å; A401-S405 WeakPolarHBondContact O-CB 3.42Å; A401-S405 PolarHBondContact O-N 2.97Å
402L95.1Very high90.6Very high4 Ų424.7 Ų24.72%0.02113%0.128CC..Hα-helixtrans-64-45.8176.7-72.4175.1000111.9I247 L248 M253 L257 V398 G399 S405 V406I247-L402 HydrophobicContact CB-CD1 4.13Å; I247-L402 HydrophobicContact CG2-CD1 3.81Å; L248-L402 HydrophobicContact CB-CD1 4.39Å; L248-L402 HydrophobicContact CD1-CD2 3.98Å; M253-L402 HydrophobicContact CE-CD1 4.42Å; M253-L402 HydrophobicContact CG-CD1 4.2Å; M253-L402 HydrophobicContact SD-CB 4.27Å; M253-L402 HydrophobicContact SD-CD1 4.34Å; L257-L402 HydrophobicContact CD2-CB 4.19Å; L257-L402 WeakPolarHBondContact CD2-O 3.45Å; V398-L402 HydrophobicContact CG1-CD1 4.09Å; V398-L402 HydrophobicContact CG1-CG 4.35Å; V398-L402 WeakPolarHBondContact O-CG 3.2Å; V398-L402 PolarHBondContact O-N 2.98Å; G399-L402 PolarHBondContact O-N 3.18Å; L402-S405 WeakPolarHBondContact O-CB 3.42Å; L402-S405 PolarHBondContact O-N 3.43Å; L402-V406 PolarHBondContact O-N 3.36Å
403F94.4Very high91.9Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-54.5-53.7174.9164.2-130.5000111.6A260 I381 I385 G399 F400 S405 V406 Q407A260-F403 HydrophobicContact CB-CD2 3.46Å; A260-F403 VanDerWaalsContact CB-CD2 3.46Å; A260-F403 HydrophobicContact CB-CE2 3.77Å; I381-F403 HydrophobicContact CB-CE2 4.3Å; I381-F403 HydrophobicContact CB-CZ 4.3Å; I381-F403 HydrophobicContact CD1-CE2 4.05Å; I381-F403 HydrophobicContact CG2-CD1 4.21Å; I381-F403 HydrophobicContact CG2-CD2 3.64Å; I381-F403 HydrophobicContact CG2-CE1 4.13Å; I381-F403 HydrophobicContact CG2-CE2 3.6Å; I381-F403 HydrophobicContact CG2-CG 3.98Å; I381-F403 HydrophobicContact CG2-CZ 3.85Å; I385-F403 HydrophobicContact CD1-CB 3.5Å; I385-F403 VanDerWaalsContact CD1-CB 3.5Å; I385-F403 HydrophobicContact CD1-CD1 3.93Å; I385-F403 HydrophobicContact CD1-CG 3.78Å; G399-F403 WeakPolarHBondContact O-CB 3.45Å; G399-F403 PolarHBondContact O-N 3.37Å; F400-F403 HydrophobicContact CD1-CD1 4.33Å; F400-F403 PolarHBondContact O-N 2.94Å; F403-S405 VanDerWaalsContact C-N 3.31Å; F403-S405 PolarHBondContact O-N 3.48Å; F403-V406 PolarHBondContact O-N 3.47Å; F403-Q407 HydrophobicContact CE2-CB 4.49Å; F403-Q407 VanDerWaalsContact O-CB 3.29Å; F403-Q407 WeakPolarHBondContact O-CB 3.21Å; F403-Q407 PolarHBondContact O-N 3.26Å
404K95.1Very high93.2Very high9 Ų922.3 Ų22.34%0.03911%0.108CC..Hα-helixtrans-67.4-31.6179.3-66.9-57.4-177-175.60112.5F61 N65 W118 F400 A401 Q407 S408F61-K404 HydrophobicContact CE2-CB 3.95Å; F61-K404 HydrophobicContact CZ-CB 3.94Å; F61-K404 HydrophobicContact CZ-CD 4.21Å; F61-K404 HydrophobicContact CZ-CG 4.32Å; N65-K404 VanDerWaalsContact ND2-C 3.26Å; N65-K404 PolarHBondContact ND2-O 3.07Å; W118-K404 HydrophobicContact CB-CD 4.39Å; W118-K404 HydrophobicContact CB-CG 4.16Å; F400-K404 WeakPolarHBondContact O-CB 3.46Å; F400-K404 WeakPolarHBondContact O-CG 3.47Å; F400-K404 PolarHBondContact O-N 3.14Å; A401-K404 PolarHBondContact O-N 3.49Å; K404-Q407 VanDerWaalsContact CD-OE1 3.28Å; K404-S408 WeakPolarHBondContact O-CB 3.08Å; K404-S408 PolarHBondContact O-N 3.39Å; K404-S408 PolarHBondContact O-OG 3.22Å
405S97Very high94.1Very high3 Ų314.1 Ų14.12%0.0218%0.077CC..Hα-helixtrans-60.3-56.7175-176.30000110.6G62 N65 W66 A401 L402 F403 S408 I409G62-S405 WeakPolarHBondContact O-CB 3.42Å; G62-S405 PolarHBondContact O-OG 3.31Å; N65-S405 PolarHBondContact ND2-N 3.01Å; W66-S405 PolarHBondContact NE1-OG 2.93Å; A401-S405 WeakPolarHBondContact O-CB 3.42Å; A401-S405 PolarHBondContact O-N 2.97Å; L402-S405 WeakPolarHBondContact O-CB 3.42Å; L402-S405 PolarHBondContact O-N 3.43Å; F403-S405 VanDerWaalsContact C-N 3.31Å; F403-S405 PolarHBondContact O-N 3.48Å; S405-S408 PolarHBondContact O-N 3.13Å; S405-I409 VanDerWaalsContact O-CG1 3.32Å; S405-I409 WeakPolarHBondContact O-CG1 3.44Å; S405-I409 PolarHBondContact O-N 3.33Å
406V97.4Very high94.7Very high37 Ų3716 Ų1622%0.2249%0.089CC..Hα-helixtrans-66.5-43.6-177.7174.80000111.5L257 A260 A261 L402 F403 S408 I409 V410L257-V406 HydrophobicContact CB-CG1 4.42Å; L257-V406 HydrophobicContact CB-CG2 4.25Å; L257-V406 HydrophobicContact CD1-CG2 4.17Å; L257-V406 HydrophobicContact CD2-CB 4.02Å; L257-V406 HydrophobicContact CD2-CG2 3.76Å; L257-V406 HydrophobicContact CG-CG2 4.25Å; L257-V406 WeakPolarHBondContact O-CG1 3.46Å; A260-V406 HydrophobicContact CB-CB 4.41Å; A260-V406 HydrophobicContact CB-CG1 4.36Å; A261-V406 HydrophobicContact CB-CG1 4.13Å; L402-V406 PolarHBondContact O-N 3.36Å; F403-V406 PolarHBondContact O-N 3.47Å; V406-S408 PolarHBondContact O-N 3.42Å; V406-I409 PolarHBondContact O-N 3.18Å; V406-V410 HydrophobicContact CG1-CG2 4.27Å; V406-V410 WeakPolarHBondContact O-CB 3.41Å; V406-V410 VanDerWaalsContact O-CG2 3.29Å; V406-V410 WeakPolarHBondContact O-CG2 3.17Å; V406-V410 PolarHBondContact O-N 3.4Å
407Q97.4Very high95.1Very high6 Ų617.9 Ų17.93%0.02810%0.097CC..Hα-helixtrans-52.8-43.7174.9-177.9176.833.400111.3A260 T263 G264 N378 F403 K404 S411A260-Q407 HydrophobicContact CB-CB 4.44Å; A260-Q407 WeakPolarHBondContact O-CA 3.23Å; T263-Q407 PolarHBondContact OG1-NE2 3.02Å; T263-Q407 VanDerWaalsContact OG1-NE2 3.12Å; G264-Q407 WeakPolarHBondContact CA-O 3.39Å; N378-Q407 PolarHBondContact OD1-NE2 3.38Å; F403-Q407 HydrophobicContact CE2-CB 4.49Å; F403-Q407 VanDerWaalsContact O-CB 3.29Å; F403-Q407 WeakPolarHBondContact O-CB 3.21Å; F403-Q407 PolarHBondContact O-N 3.26Å; K404-Q407 VanDerWaalsContact CD-OE1 3.28Å; Q407-S411 VanDerWaalsContact O-CB 3.28Å; Q407-S411 WeakPolarHBondContact O-CB 3.35Å; Q407-S411 PolarHBondContact O-N 3.28Å
408S97.4Very high95.3Very high1 Ų117.1 Ų17.11%0.0079%0.092CC..Hα-helixtrans-81-40.4-174.9-50.90000112.8Y58 F61 K404 S405 V406 V410 S411 G412Y58-S408 CarbonylContact C-O 3.43Å; Y58-S408 WeakPolarHBondContact CB-O 3.33Å; Y58-S408 CarbonylContact O-C 3.59Å; Y58-S408 VanDerWaalsContact O-C 3.25Å; Y58-S408 VanDerWaalsContact O-CB 3.22Å; Y58-S408 WeakPolarHBondContact O-CB 3.33Å; Y58-S408 VanDerWaalsContact O-O 3.12Å; F61-S408 WeakPolarHBondContact CD1-OG 3.25Å; F61-S408 WeakPolarHBondContact CE1-OG 3.37Å; F61-S408 WeakPolarHBondContact CG-OG 3.4Å; K404-S408 WeakPolarHBondContact O-CB 3.08Å; K404-S408 PolarHBondContact O-N 3.39Å; K404-S408 PolarHBondContact O-OG 3.22Å; S405-S408 PolarHBondContact O-N 3.13Å; V406-S408 PolarHBondContact O-N 3.42Å; S408-V410 VanDerWaalsContact C-N 3.27Å; S408-V410 PolarHBondContact O-N 3.01Å; S408-S411 PolarHBondContact O-N 2.95Å; S408-G412 PolarHBondContact O-N 2.94Å
409I97.9Very high95.3Very high56 Ų5618.8 Ų18.829%0.28710%0.102SC..Hα-helixtrans-57.7-46.1174.1-68.3173.8000109.9S405 V406 G412 I413S405-I409 VanDerWaalsContact O-CG1 3.32Å; S405-I409 WeakPolarHBondContact O-CG1 3.44Å; S405-I409 PolarHBondContact O-N 3.33Å; V406-I409 PolarHBondContact O-N 3.18Å; I409-G412 PolarHBondContact O-N 3.18Å; I409-I413 HydrophobicContact CG2-CD1 3.85Å; I409-I413 WeakPolarHBondContact O-CG1 3.33Å; I409-I413 PolarHBondContact O-N 3.43Å
410V98Very high95.3Very high33 Ų3327.7 Ų27.720%0.214%0.137CC..Hα-helixtrans-68.1-42.7-179.1176.70000111.4A261 I265 V406 S408 G412 I413 A414A261-V410 HydrophobicContact CB-CB 4.43Å; A261-V410 HydrophobicContact CB-CG1 4.33Å; A261-V410 HydrophobicContact CB-CG2 3.82Å; A261-V410 VanDerWaalsContact O-CG1 3.31Å; A261-V410 WeakPolarHBondContact O-CG1 3.16Å; I265-V410 HydrophobicContact CD1-CG1 4.1Å; I265-V410 HydrophobicContact CG1-CG1 3.59Å; V406-V410 HydrophobicContact CG1-CG2 4.27Å; V406-V410 WeakPolarHBondContact O-CB 3.41Å; V406-V410 VanDerWaalsContact O-CG2 3.29Å; V406-V410 WeakPolarHBondContact O-CG2 3.17Å; V406-V410 PolarHBondContact O-N 3.4Å; S408-V410 VanDerWaalsContact C-N 3.27Å; S408-V410 PolarHBondContact O-N 3.01Å; V410-G412 VanDerWaalsContact C-N 3.29Å; V410-G412 PolarHBondContact O-N 3.36Å; V410-I413 PolarHBondContact O-N 3.14Å; V410-A414 WeakPolarHBondContact O-CB 3.39Å; V410-A414 PolarHBondContact O-N 3.23Å
411S97.2Very high95.4Very high0 Ų029.9 Ų29.90%015%0.149CC..Hα-helixtrans-56.7-43.6171.7173.10000111.9Y58 G264 L267 T268 Q407 S408 A414 F415Y58-S411 WeakPolarHBondContact CD2-OG 3.33Å; G264-S411 WeakPolarHBondContact O-CB 3.3Å; L267-S411 WeakPolarHBondContact CD2-OG 3.49Å; T268-S411 PolarHBondContact OG1-O 3.31Å; T268-S411 PolarHBondContact OG1-OG 3.5Å; Q407-S411 VanDerWaalsContact O-CB 3.28Å; Q407-S411 WeakPolarHBondContact O-CB 3.35Å; Q407-S411 PolarHBondContact O-N 3.28Å; S408-S411 PolarHBondContact O-N 2.95Å; S411-A414 WeakPolarHBondContact O-CA 3.46Å; S411-A414 WeakPolarHBondContact O-CB 3.06Å; S411-A414 PolarHBondContact O-N 2.92Å; S411-A414 VanDerWaalsContact O-N 3.15Å; S411-F415 WeakPolarHBondContact O-CD2 3.38Å; S411-F415 PolarHBondContact O-N 3.3Å; S411-F415 VanDerWaalsContact OG-CE2 3.27Å; S411-F415 WeakPolarHBondContact OG-CE2 3.5Å
412G96.9Very high95.4Very high0 Ų032.2 Ų32.20%016%0.161CC..Hα-helixtrans-63.3-46.1178.100000112.8S408 I409 V410 A414 F415 V416S408-G412 PolarHBondContact O-N 2.94Å; I409-G412 PolarHBondContact O-N 3.18Å; V410-G412 VanDerWaalsContact C-N 3.29Å; V410-G412 PolarHBondContact O-N 3.36Å; G412-A414 PolarHBondContact O-N 2.78Å; G412-F415 PolarHBondContact O-N 2.95Å; G412-V416 WeakPolarHBondContact O-CG2 3.48Å; G412-V416 PolarHBondContact O-N 3.1Å
413I96.9Very high95.4Very high94 Ų9432.1 Ų32.148%0.48216%0.16SC..Hα-helixtrans-59.6-39.9172.3-67.9166.5000110.5I409 V410 V416 Y417I409-I413 HydrophobicContact CG2-CD1 3.85Å; I409-I413 WeakPolarHBondContact O-CG1 3.33Å; I409-I413 PolarHBondContact O-N 3.43Å; V410-I413 PolarHBondContact O-N 3.14Å; I413-V416 PolarHBondContact O-N 2.91Å; I413-Y417 HydrophobicContact CG2-CD1 4.25Å; I413-Y417 WeakPolarHBondContact O-CD1 3.31Å; I413-Y417 PolarHBondContact O-N 3.22Å
414A96.7Very high95.3Very high0 Ų033.6 Ų33.60%017%0.167CC..Hα-helixtrans-63.3-45177.900000112.7T268 V410 S411 G412 V416 Y417 S418T268-A414 HydrophobicContact CG2-CB 3.91Å; T268-A414 WeakPolarHBondContact OG1-CB 3.31Å; V410-A414 WeakPolarHBondContact O-CB 3.39Å; V410-A414 PolarHBondContact O-N 3.23Å; S411-A414 WeakPolarHBondContact O-CA 3.46Å; S411-A414 WeakPolarHBondContact O-CB 3.06Å; S411-A414 PolarHBondContact O-N 2.92Å; S411-A414 VanDerWaalsContact O-N 3.15Å; G412-A414 PolarHBondContact O-N 2.78Å; A414-V416 VanDerWaalsContact C-N 3.31Å; A414-V416 PolarHBondContact O-N 3.41Å; A414-Y417 VanDerWaalsContact CA-CZ 3.42Å; A414-Y417 HydrophobicContact CB-CD1 4.47Å; A414-Y417 HydrophobicContact CB-CE1 3.71Å; A414-Y417 HydrophobicContact CB-CE2 4.18Å; A414-Y417 VanDerWaalsContact CB-CZ 3.48Å; A414-Y417 VanDerWaalsContact CB-OH 3.3Å; A414-Y417 WeakPolarHBondContact CB-OH 3.34Å; A414-Y417 VanDerWaalsContact O-CD2 3.28Å; A414-Y417 WeakPolarHBondContact O-CD2 3.15Å; A414-Y417 WeakPolarHBondContact O-CE2 3.4Å; A414-Y417 PolarHBondContact O-N 3.05Å; A414-S418 WeakPolarHBondContact O-CB 3.48Å; A414-S418 PolarHBondContact O-N 2.89Å; A414-S418 PolarHBondContact O-OG 3.34Å
415F94.8Very high95.4Very high0 Ų040.2 Ų40.20%019%0.192CC..Hα-helixtrans-59.9-39172.5-78.2-61000113.3Y51 L54 A55 Y58 L267 T268 S411 G412 S418Y51-F415 AromaticContact CD1-CD1 3.98Å; Y51-F415 HydrophobicContact CD1-CD1 3.98Å; Y51-F415 HydrophobicContact CD1-CE1 4.4Å; L54-F415 HydrophobicContact CB-CD1 3.91Å; L54-F415 HydrophobicContact CB-CD2 3.82Å; L54-F415 HydrophobicContact CB-CE1 3.96Å; L54-F415 HydrophobicContact CB-CE2 3.88Å; L54-F415 HydrophobicContact CB-CG 3.84Å; L54-F415 HydrophobicContact CB-CZ 3.95Å; L54-F415 HydrophobicContact CD1-CD1 4.18Å; L54-F415 HydrophobicContact CD1-CE1 3.57Å; L54-F415 HydrophobicContact CD1-CZ 3.77Å; L54-F415 HydrophobicContact CG-CE1 4.38Å; L54-F415 HydrophobicContact CG-CZ 4.35Å; A55-F415 HydrophobicContact CB-CB 3.77Å; Y58-F415 AromaticContact CD2-CD2 3.7Å; Y58-F415 HydrophobicContact CD2-CD2 3.7Å; Y58-F415 AromaticContact CD2-CE2 3.36Å; Y58-F415 HydrophobicContact CD2-CE2 3.36Å; Y58-F415 HydrophobicContact CD2-CZ 4.46Å; Y58-F415 HydrophobicContact CE2-CD2 4.28Å; Y58-F415 AromaticContact CE2-CE2 3.48Å; Y58-F415 HydrophobicContact CE2-CE2 3.48Å; Y58-F415 VanDerWaalsContact CE2-CE2 3.48Å; Y58-F415 HydrophobicContact CE2-CZ 4.24Å; Y58-F415 HydrophobicContact CG-CE2 4.35Å; L267-F415 HydrophobicContact CD2-CE2 4.36Å; T268-F415 HydrophobicContact CG2-CD1 3.76Å; T268-F415 HydrophobicContact CG2-CD2 4.38Å; T268-F415 HydrophobicContact CG2-CE1 3.67Å; T268-F415 HydrophobicContact CG2-CE2 4.3Å; T268-F415 HydrophobicContact CG2-CG 4.11Å; T268-F415 HydrophobicContact CG2-CZ 3.97Å; S411-F415 WeakPolarHBondContact O-CD2 3.38Å; S411-F415 PolarHBondContact O-N 3.3Å; S411-F415 VanDerWaalsContact OG-CE2 3.27Å; S411-F415 WeakPolarHBondContact OG-CE2 3.5Å; G412-F415 PolarHBondContact O-N 2.95Å; F415-S418 PolarHBondContact O-N 3.44Å
416V95.3Very high95.4Very high67 Ų6740.1 Ų40.141%0.40619%0.191SC..Hα-helixtrans-61.7-52.9175.2174.50000110.3A55 I59 G412 I413 A414 S418 T419A55-V416 HydrophobicContact CB-CG2 3.67Å; I59-V416 HydrophobicContact CD1-CG2 4.34Å; G412-V416 WeakPolarHBondContact O-CG2 3.48Å; G412-V416 PolarHBondContact O-N 3.1Å; I413-V416 PolarHBondContact O-N 2.91Å; A414-V416 VanDerWaalsContact C-N 3.31Å; A414-V416 PolarHBondContact O-N 3.41Å; V416-S418 PolarHBondContact O-N 3.27Å; V416-T419 WeakPolarHBondContact O-CB 3.46Å; V416-T419 PolarHBondContact O-N 3.11Å; V416-T419 PolarHBondContact O-OG1 3.45Å
417Y94.8Very high95.3Very high40 Ų4038.7 Ų38.716%0.15718%0.182CC..Hα-helixtrans-68-25.4-178.772.4-127.1000112.2I413 A414 T419 Y420 L421 Q426 I429I413-Y417 HydrophobicContact CG2-CD1 4.25Å; I413-Y417 WeakPolarHBondContact O-CD1 3.31Å; I413-Y417 PolarHBondContact O-N 3.22Å; A414-Y417 VanDerWaalsContact CA-CZ 3.42Å; A414-Y417 HydrophobicContact CB-CD1 4.47Å; A414-Y417 HydrophobicContact CB-CE1 3.71Å; A414-Y417 HydrophobicContact CB-CE2 4.18Å; A414-Y417 VanDerWaalsContact CB-CZ 3.48Å; A414-Y417 VanDerWaalsContact CB-OH 3.3Å; A414-Y417 WeakPolarHBondContact CB-OH 3.34Å; A414-Y417 VanDerWaalsContact O-CD2 3.28Å; A414-Y417 WeakPolarHBondContact O-CD2 3.15Å; A414-Y417 WeakPolarHBondContact O-CE2 3.4Å; A414-Y417 PolarHBondContact O-N 3.05Å; Y417-T419 PolarHBondContact O-N 3Å; Y417-T419 VanDerWaalsContact O-N 3.1Å; Y417-Y420 PolarHBondContact O-N 3.23Å; Y417-L421 HydrophobicContact CD2-CB 4.11Å; Y417-L421 HydrophobicContact CD2-CD2 3.84Å; Y417-L421 HydrophobicContact CE2-CD2 4.34Å; Y417-L421 HydrophobicContact CG-CD2 4.24Å; Y417-L421 WeakPolarHBondContact O-CB 3.31Å; Y417-L421 PolarHBondContact O-N 3.42Å; Y417-Q426 HydrophobicContact CD2-CG 4Å; Y417-Q426 HydrophobicContact CE2-CB 4.22Å; Y417-Q426 HydrophobicContact CE2-CG 3.69Å; Y417-I429 HydrophobicContact CE1-CD1 4.31Å
418S93.1Very high95.3Very high0 Ų042.8 Ų42.80%020%0.204CC..Hα-helixtrans-61-20.7178.8-68.10000113.3A414 F415 V416 Y420 Q426A414-S418 WeakPolarHBondContact O-CB 3.48Å; A414-S418 PolarHBondContact O-N 2.89Å; A414-S418 PolarHBondContact O-OG 3.34Å; F415-S418 PolarHBondContact O-N 3.44Å; V416-S418 PolarHBondContact O-N 3.27Å; S418-Y420 VanDerWaalsContact C-N 3.34Å; S418-Q426 PolarHBondContact OG-OE1 2.83Å
419T89.4Confident95.3Very high40 Ų4045.6 Ų45.625%0.24522%0.218CC..THydrogen-bonded Turntrans-72.5-26.5175.6-50.30000112.7V416 Y417V416-T419 WeakPolarHBondContact O-CB 3.46Å; V416-T419 PolarHBondContact O-N 3.11Å; V416-T419 PolarHBondContact O-OG1 3.45Å; Y417-T419 PolarHBondContact O-N 3Å; Y417-T419 VanDerWaalsContact O-N 3.1Å
420Y91.1Very high95.2Very high187 Ų18742.9 Ų42.973%0.73320%0.204SC*.THydrogen-bonded Turntrans-120.8-31.3-171.8-52.4-72.2000113.4Y417 S418Y417-Y420 PolarHBondContact O-N 3.23Å; S418-Y420 VanDerWaalsContact C-N 3.34Å
421L94Very high95.2Very high47 Ų4743.4 Ų43.425%0.24621%0.207CC..SBendtrans-88.4131.2-171.5-167.663.2000110Y417 W425 Q426 I429Y417-L421 HydrophobicContact CD2-CB 4.11Å; Y417-L421 HydrophobicContact CD2-CD2 3.84Å; Y417-L421 HydrophobicContact CE2-CD2 4.34Å; Y417-L421 HydrophobicContact CG-CD2 4.24Å; Y417-L421 WeakPolarHBondContact O-CB 3.31Å; Y417-L421 PolarHBondContact O-N 3.42Å; L421-W425 HydrophobicContact CD1-CB 3.6Å; L421-W425 HydrophobicContact CD1-CG 4Å; L421-W425 HydrophobicContact CD2-CB 3.89Å; L421-W425 HydrophobicContact CG-CB 3.66Å; L421-Q426 HydrophobicContact CB-CG 4.17Å; L421-Q426 HydrophobicContact CD2-CG 3.94Å; L421-Q426 HydrophobicContact CG-CG 4.06Å; L421-Q426 PolarHBondContact O-NE2 3.49Å; L421-I429 HydrophobicContact CD2-CD1 3.66Å
422L94.2Very high95.2Very high53 Ų5347.1 Ų47.128%0.27723%0.229SC..  trans-66149.9178.2-59.2171000112T343 N344 I347 H424 W425 Q426T343-L422 HydrophobicContact CG2-CB 3.53Å; T343-L422 HydrophobicContact CG2-CD1 3.75Å; T343-L422 HydrophobicContact CG2-CD2 4.2Å; T343-L422 HydrophobicContact CG2-CG 4.01Å; N344-L422 WeakPolarHBondContact OD1-CD2 3.5Å; I347-L422 HydrophobicContact CD1-CD2 4.3Å; L422-H424 PolarHBondContact O-N 2.9Å; L422-H424 VanDerWaalsContact O-N 3.11Å; L422-W425 PolarHBondContact O-N 2.72Å; L422-Q426 PolarHBondContact O-N 3.46Å
423L94.3Very high95.2Very high1 Ų149.4 Ų49.41%0.00524%0.241CC..Hα-helixtrans-52.6-40.2-173.8-178.660.4000113.1L273 A277 T337 L341 T343 W425 Q426 I427L273-L423 HydrophobicContact CD2-CD1 4.43Å; A277-L423 HydrophobicContact CB-CD2 4.29Å; T337-L423 HydrophobicContact CG2-CD1 4.48Å; T337-L423 HydrophobicContact CG2-CD2 4.26Å; L341-L423 HydrophobicContact CB-CD2 3.65Å; L341-L423 HydrophobicContact CD1-CD2 4.28Å; T343-L423 PolarHBondContact O-N 2.93Å; L423-W425 PolarHBondContact O-N 3.43Å; L423-Q426 WeakPolarHBondContact O-CB 3.46Å; L423-Q426 PolarHBondContact O-N 3.19Å; L423-I427 HydrophobicContact CD1-CD1 4.35Å; L423-I427 HydrophobicContact CD1-CG1 4.46Å; L423-I427 HydrophobicContact CG-CD1 4.01Å; L423-I427 WeakPolarHBondContact O-CG1 3.3Å; L423-I427 PolarHBondContact O-N 2.87Å
424H93.6Very high95.3Very high31 Ų3145 Ų4514%0.14422%0.218CC..Hα-helixtrans-64.3-38.7-178.3-67.2-172.6000113.1F338 T343 L422 Q426 I427 L428F338-H424 HydrophobicContact CD2-CB 4.01Å; F338-H424 AromaticContact CD2-CD2 3.67Å; F338-H424 AromaticContact CD2-CG 3.58Å; F338-H424 AromaticContact CD2-ND1 3.82Å; F338-H424 AromaticContact CD2-NE2 4Å; F338-H424 HydrophobicContact CE2-CB 3.92Å; F338-H424 AromaticContact CE2-CE1 3.73Å; F338-H424 AromaticContact CE2-CG 3.51Å; F338-H424 AromaticContact CE2-ND1 3.33Å; F338-H424 VanDerWaalsContact CE2-ND1 3.33Å; F338-H424 WeakPolarHBondContact CE2-ND1 3.08Å; T343-H424 HydrophobicContact CG2-CB 4.46Å; T343-H424 PolarHBondContact OG1-CE1 3.06Å; T343-H424 PolarHBondContact OG1-ND1 3Å; T343-H424 PolarHBondContact OG1-NE2 3.3Å; L422-H424 PolarHBondContact O-N 2.9Å; L422-H424 VanDerWaalsContact O-N 3.11Å; H424-Q426 VanDerWaalsContact C-N 3.35Å; H424-I427 PolarHBondContact O-N 3.49Å; H424-L428 PolarHBondContact O-N 2.88Å
425W95.7Very high95.3Very high149 Ų14948 Ų4856%0.56424%0.236SC*.Hα-helixtrans-69.9-35.5175.7-66.4116.8000111.4L421 L422 L423 I427 L428 I429L421-W425 HydrophobicContact CD1-CB 3.6Å; L421-W425 HydrophobicContact CD1-CG 4Å; L421-W425 HydrophobicContact CD2-CB 3.89Å; L421-W425 HydrophobicContact CG-CB 3.66Å; L422-W425 PolarHBondContact O-N 2.72Å; L423-W425 PolarHBondContact O-N 3.43Å; W425-I427 VanDerWaalsContact C-N 3.32Å; W425-I427 PolarHBondContact O-N 3.23Å; W425-L428 HydrophobicContact CE3-CD2 3.92Å; W425-L428 HydrophobicContact CZ3-CD2 3.97Å; W425-L428 PolarHBondContact O-N 3Å; W425-I429 WeakPolarHBondContact O-CG1 3.46Å; W425-I429 PolarHBondContact O-N 3.19Å; W425-I429 VanDerWaalsContact O-N 3.07Å
426Q96.6Very high95.4Very high0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-62.9-40173.4-56.8-170.650.600111.3F269 L273 Y417 S418 L421 L422 L423 H424 I429 F430F269-Q426 HydrophobicContact CE2-CB 4.34Å; F269-Q426 HydrophobicContact CZ-CB 3.96Å; L273-Q426 VanDerWaalsContact CD1-OE1 3.29Å; L273-Q426 HydrophobicContact CD2-CB 4.49Å; Y417-Q426 HydrophobicContact CD2-CG 4Å; Y417-Q426 HydrophobicContact CE2-CB 4.22Å; Y417-Q426 HydrophobicContact CE2-CG 3.69Å; S418-Q426 PolarHBondContact OG-OE1 2.83Å; L421-Q426 HydrophobicContact CB-CG 4.17Å; L421-Q426 HydrophobicContact CD2-CG 3.94Å; L421-Q426 HydrophobicContact CG-CG 4.06Å; L421-Q426 PolarHBondContact O-NE2 3.49Å; L422-Q426 PolarHBondContact O-N 3.46Å; L423-Q426 WeakPolarHBondContact O-CB 3.46Å; L423-Q426 PolarHBondContact O-N 3.19Å; H424-Q426 VanDerWaalsContact C-N 3.35Å; Q426-I429 PolarHBondContact O-N 3.22Å; Q426-F430 WeakPolarHBondContact O-CB 3.39Å; Q426-F430 PolarHBondContact O-N 3.15Å
427I96.5Very high95.4Very high8 Ų847 Ų474%0.04123%0.233CC..Hα-helixtrans-65.7-38.6175.8-66.3166.1000111.3F269 T337 F338 L423 H424 W425 F430 V431F269-I427 HydrophobicContact CE1-CG1 3.95Å; F269-I427 HydrophobicContact CZ-CG1 4.16Å; T337-I427 HydrophobicContact CG2-CD1 3.75Å; T337-I427 HydrophobicContact CG2-CG1 4.47Å; F338-I427 HydrophobicContact CB-CD1 3.83Å; F338-I427 HydrophobicContact CB-CG2 4.42Å; L423-I427 HydrophobicContact CD1-CD1 4.35Å; L423-I427 HydrophobicContact CD1-CG1 4.46Å; L423-I427 HydrophobicContact CG-CD1 4.01Å; L423-I427 WeakPolarHBondContact O-CG1 3.3Å; L423-I427 PolarHBondContact O-N 2.87Å; H424-I427 PolarHBondContact O-N 3.49Å; W425-I427 VanDerWaalsContact C-N 3.32Å; W425-I427 PolarHBondContact O-N 3.23Å; I427-F430 WeakPolarHBondContact O-CB 3.17Å; I427-F430 PolarHBondContact O-N 3.49Å; I427-V431 HydrophobicContact CG2-CG2 4.46Å; I427-V431 WeakPolarHBondContact O-CG2 3.31Å; I427-V431 PolarHBondContact O-N 3.1Å
428L96.4Very high95.5Very high92 Ų9246.2 Ų46.248%0.48223%0.231SC..Hα-helixtrans-60.9-48175.1179.463.7000111.5H424 W425 F430 V431 V432H424-L428 PolarHBondContact O-N 2.88Å; W425-L428 HydrophobicContact CE3-CD2 3.92Å; W425-L428 HydrophobicContact CZ3-CD2 3.97Å; W425-L428 PolarHBondContact O-N 3Å; L428-F430 VanDerWaalsContact C-N 3.28Å; L428-F430 PolarHBondContact O-N 3.15Å; L428-V431 PolarHBondContact O-N 3.21Å; L428-V432 HydrophobicContact CD1-CG2 4.33Å; L428-V432 WeakPolarHBondContact O-CG2 3.29Å; L428-V432 PolarHBondContact O-N 2.78Å
429I97.2Very high95.6Very high59 Ų5954.7 Ų54.730%0.30326%0.264SS..Hα-helixtrans-57.6-45.4175.5-66.4168.1000110.1I265 Y417 L421 W425 Q426 V431 V432 M433I265-I429 HydrophobicContact CD1-CG2 3.99Å; Y417-I429 HydrophobicContact CE1-CD1 4.31Å; L421-I429 HydrophobicContact CD2-CD1 3.66Å; W425-I429 WeakPolarHBondContact O-CG1 3.46Å; W425-I429 PolarHBondContact O-N 3.19Å; W425-I429 VanDerWaalsContact O-N 3.07Å; Q426-I429 PolarHBondContact O-N 3.22Å; I429-V431 PolarHBondContact O-N 3.26Å; I429-V432 PolarHBondContact O-N 3.01Å; I429-M433 HydrophobicContact CG2-CG 4.35Å; I429-M433 WeakPolarHBondContact O-CB 3.29Å; I429-M433 VanDerWaalsContact O-CG 3.24Å; I429-M433 WeakPolarHBondContact O-CG 3.43Å; I429-M433 PolarHBondContact O-N 3.47Å
430F97.3Very high95.8Very high0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-56.9-48.4177.7177.7-85.7000112.2F262 I265 N266 F269 A330 F370 Q426 I427 L428 M433 A434F262-F430 HydrophobicContact CE2-CD1 4.32Å; F262-F430 AromaticContact CE2-CD2 3.96Å; F262-F430 HydrophobicContact CE2-CD2 3.96Å; F262-F430 HydrophobicContact CE2-CE1 4.03Å; F262-F430 AromaticContact CE2-CE2 3.64Å; F262-F430 HydrophobicContact CE2-CE2 3.64Å; F262-F430 HydrophobicContact CE2-CG 4.28Å; F262-F430 AromaticContact CE2-CZ 3.67Å; F262-F430 HydrophobicContact CE2-CZ 3.67Å; F262-F430 HydrophobicContact CZ-CE1 4.33Å; F262-F430 HydrophobicContact CZ-CE2 4.03Å; F262-F430 AromaticContact CZ-CZ 3.77Å; F262-F430 HydrophobicContact CZ-CZ 3.77Å; I265-F430 HydrophobicContact CG2-CB 4.19Å; I265-F430 HydrophobicContact CG2-CD2 3.94Å; N266-F430 HydrophobicContact CB-CE2 3.84Å; N266-F430 WeakPolarHBondContact OD1-CE2 3.48Å; F269-F430 AromaticContact CD2-CD2 3.79Å; F269-F430 HydrophobicContact CD2-CD2 3.79Å; F269-F430 HydrophobicContact CD2-CE2 4.44Å; F269-F430 HydrophobicContact CE2-CB 3.91Å; F269-F430 AromaticContact CE2-CD2 3.91Å; F269-F430 HydrophobicContact CE2-CD2 3.91Å; F269-F430 HydrophobicContact CE2-CG 4.24Å; F269-F430 HydrophobicContact CG-CD2 4.12Å; F269-F430 HydrophobicContact CG-CE2 4.41Å; F269-F430 HydrophobicContact CZ-CB 3.97Å; F269-F430 HydrophobicContact CZ-CD2 4.37Å; F269-F430 HydrophobicContact CZ-CG 4.36Å; A330-F430 HydrophobicContact CB-CE1 3.77Å; A330-F430 HydrophobicContact CB-CZ 3.86Å; A330-F430 WeakPolarHBondContact O-CE1 3.43Å; F370-F430 HydrophobicContact CD1-CE2 4.47Å; F370-F430 HydrophobicContact CD1-CZ 4.25Å; F370-F430 HydrophobicContact CE1-CE1 4.38Å; F370-F430 HydrophobicContact CE1-CE2 4.03Å; F370-F430 AromaticContact CE1-CZ 3.81Å; F370-F430 HydrophobicContact CE1-CZ 3.81Å; Q426-F430 WeakPolarHBondContact O-CB 3.39Å; Q426-F430 PolarHBondContact O-N 3.15Å; I427-F430 WeakPolarHBondContact O-CB 3.17Å; I427-F430 PolarHBondContact O-N 3.49Å; L428-F430 VanDerWaalsContact C-N 3.28Å; L428-F430 PolarHBondContact O-N 3.15Å; F430-M433 PolarHBondContact O-N 3.27Å; F430-A434 WeakPolarHBondContact O-CB 3.28Å; F430-A434 PolarHBondContact O-N 3.02Å
431V97.3Very high95.9Very high43 Ų4344.7 Ų44.726%0.26122%0.223SC..Hα-helixtrans-65-46.7179.9168.60000111.8I331 I427 L428 I429 M433 A434 T435I331-V431 HydrophobicContact CD1-CB 4.34Å; I331-V431 HydrophobicContact CD1-CG1 3.78Å; I331-V431 HydrophobicContact CD1-CG2 4.12Å; I427-V431 HydrophobicContact CG2-CG2 4.46Å; I427-V431 WeakPolarHBondContact O-CG2 3.31Å; I427-V431 PolarHBondContact O-N 3.1Å; L428-V431 PolarHBondContact O-N 3.21Å; I429-V431 PolarHBondContact O-N 3.26Å; V431-M433 VanDerWaalsContact C-N 3.28Å; V431-M433 PolarHBondContact O-N 2.92Å; V431-A434 WeakPolarHBondContact O-CB 3.29Å; V431-A434 PolarHBondContact O-N 3.45Å; V431-T435 PolarHBondContact O-N 3.18Å; V431-T435 PolarHBondContact O-OG1 3.49Å; V431-T435 VanDerWaalsContact O-OG1 3.13Å
432V97.4Very high95.8Very high78 Ų7845.4 Ų45.447%0.47323%0.227SC..Hα-helixtrans-59.5-42.1179.1170.80000111.1L428 I429 S436L428-V432 HydrophobicContact CD1-CG2 4.33Å; L428-V432 WeakPolarHBondContact O-CG2 3.29Å; L428-V432 PolarHBondContact O-N 2.78Å; I429-V432 PolarHBondContact O-N 3.01Å; V432-S436 WeakPolarHBondContact O-CB 3.23Å; V432-S436 PolarHBondContact O-N 3.43Å; V432-S436 PolarHBondContact O-OG 2.87Å
433M97.3Very high95.6Very high49 Ų4944.6 Ų44.624%0.24123%0.226CC..Hα-helixtrans-72.1-35.8178.9-69.1-64.8-62.300112.1A261 F262 I265 I429 F430 V431 S436 G437A261-M433 HydrophobicContact CB-CE 3.43Å; A261-M433 VanDerWaalsContact CB-CE 3.43Å; F262-M433 HydrophobicContact CB-CB 4.25Å; F262-M433 HydrophobicContact CD2-CB 4.16Å; I265-M433 HydrophobicContact CD1-CB 3.64Å; I265-M433 HydrophobicContact CD1-CE 4.31Å; I265-M433 HydrophobicContact CD1-CG 3.43Å; I265-M433 VanDerWaalsContact CD1-CG 3.43Å; I429-M433 HydrophobicContact CG2-CG 4.35Å; I429-M433 WeakPolarHBondContact O-CB 3.29Å; I429-M433 VanDerWaalsContact O-CG 3.24Å; I429-M433 WeakPolarHBondContact O-CG 3.43Å; I429-M433 PolarHBondContact O-N 3.47Å; F430-M433 PolarHBondContact O-N 3.27Å; V431-M433 VanDerWaalsContact C-N 3.28Å; V431-M433 PolarHBondContact O-N 2.92Å; M433-S436 PolarHBondContact O-N 3.24Å; M433-G437 PolarHBondContact O-N 3.38Å
434A97.5Very high95.3Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-59.5-47.3173.100000111.3F262 Y327 W377 F430 V431 G437 L438F262-A434 HydrophobicContact CD2-CB 3.72Å; F262-A434 VanDerWaalsContact CD2-N 3.26Å; F262-A434 HydrophobicContact CE1-CB 4.43Å; F262-A434 HydrophobicContact CE2-CB 3.34Å; F262-A434 HydrophobicContact CG-CB 4.42Å; F262-A434 HydrophobicContact CZ-CB 3.71Å; Y327-A434 HydrophobicContact CD2-CB 4.03Å; Y327-A434 HydrophobicContact CE2-CB 4.05Å; W377-A434 WeakPolarHBondContact CH2-O 3.44Å; F430-A434 WeakPolarHBondContact O-CB 3.28Å; F430-A434 PolarHBondContact O-N 3.02Å; V431-A434 WeakPolarHBondContact O-CB 3.29Å; V431-A434 PolarHBondContact O-N 3.45Å; A434-G437 PolarHBondContact O-N 2.83Å; A434-L438 WeakPolarHBondContact O-CB 3.46Å; A434-L438 PolarHBondContact O-N 3.45Å
435T97.3Very high94.9Very high63 Ų6344.2 Ų44.239%0.38722%0.224SC..Hα-helixtrans-65.3-42.7179.9-53.90000111.3Y327 V431 L438 Y439Y327-T435 PolarHBondContact OH-OG1 3.05Å; Y327-T435 VanDerWaalsContact OH-OG1 3.04Å; V431-T435 PolarHBondContact O-N 3.18Å; V431-T435 PolarHBondContact O-OG1 3.49Å; V431-T435 VanDerWaalsContact O-OG1 3.13Å; T435-L438 PolarHBondContact O-N 3.34Å; T435-Y439 PolarHBondContact O-N 3.08Å; T435-Y439 VanDerWaalsContact O-N 3.15Å
436S97Very high94.4Very high48 Ų4846.2 Ų46.234%0.33623%0.232SC..Hα-helixtrans-64.1-42.5177.4-57.10000112.1V432 M433 C440V432-S436 WeakPolarHBondContact O-CB 3.23Å; V432-S436 PolarHBondContact O-N 3.43Å; V432-S436 PolarHBondContact O-OG 2.87Å; M433-S436 PolarHBondContact O-N 3.24Å; S436-C440 PolarHBondContact O-N 3.43Å; S436-C440 VanDerWaalsContact O-N 3.14Å; S436-C440 PolarHBondContact O-SG 3.28Å
437G96.4Very high93.7Very high0 Ų049.3 Ų49.30%025%0.254CS..Hα-helixtrans-64.6-41.6176.800000112.9M433 A434 C440 L441M433-G437 PolarHBondContact O-N 3.38Å; A434-G437 PolarHBondContact O-N 2.83Å; G437-C440 PolarHBondContact O-N 3.43Å; G437-L441 PolarHBondContact O-N 3.13Å
438L95.7Very high92.6Very high23 Ų2351.2 Ų51.212%0.1226%0.262CS..Hα-helixtrans-60.6-50.1176.8175.467.4000111V323 I324 Y327 W377 A434 T435 C440 L441 L442V323-L438 HydrophobicContact CB-CD1 4.4Å; V323-L438 HydrophobicContact CG1-CD1 3.74Å; I324-L438 HydrophobicContact CG1-CD1 4.11Å; Y327-L438 HydrophobicContact CD1-CD2 3.6Å; Y327-L438 HydrophobicContact CD2-CB 4.07Å; Y327-L438 HydrophobicContact CD2-CD2 4Å; Y327-L438 HydrophobicContact CE1-CD2 3.99Å; Y327-L438 HydrophobicContact CE2-CD2 4.38Å; Y327-L438 HydrophobicContact CG-CB 4.31Å; Y327-L438 HydrophobicContact CG-CD2 3.58Å; Y327-L438 HydrophobicContact CG-CG 4.37Å; W377-L438 HydrophobicContact CH2-CB 4.34Å; W377-L438 HydrophobicContact CZ2-CB 4.48Å; A434-L438 WeakPolarHBondContact O-CB 3.46Å; A434-L438 PolarHBondContact O-N 3.45Å; T435-L438 PolarHBondContact O-N 3.34Å; L438-C440 VanDerWaalsContact C-N 3.28Å; L438-C440 PolarHBondContact O-N 3.19Å; L438-L441 PolarHBondContact O-N 3.39Å; L438-L442 HydrophobicContact CD1-CD1 3.83Å; L438-L442 HydrophobicContact CD1-CG 3.95Å; L438-L442 HydrophobicContact CD2-CD1 4.47Å; L438-L442 HydrophobicContact CG-CD1 3.91Å; L438-L442 HydrophobicContact CG-CG 4.36Å; L438-L442 WeakPolarHBondContact O-CB 3.42Å; L438-L442 WeakPolarHBondContact O-CG 3.34Å; L438-L442 PolarHBondContact O-N 3.29Å
439Y94.8Very high91.2Very high177 Ų17750.4 Ų50.469%0.69426%0.258SS*.Hα-helixtrans-55.9-46.3178.9175.6-97.3000111.3T435 S443T435-Y439 PolarHBondContact O-N 3.08Å; T435-Y439 VanDerWaalsContact O-N 3.15Å; Y439-S443 WeakPolarHBondContact O-CB 3.44Å; Y439-S443 PolarHBondContact O-N 2.85Å
440C94.3Very high89.5Confident17 Ų1749.9 Ų49.912%0.11526%0.259CS..Hα-helixtrans-63.1-47.4179.1-71.50000112.3C255 V258 S436 G437 L438 S443 V444C255-C440 HydrophobicContact CB-CB 3.78Å; C255-C440 WeakPolarHBondContact O-CB 3.42Å; V258-C440 HydrophobicContact CB-CB 4.19Å; V258-C440 HydrophobicContact CG1-CB 4.33Å; S436-C440 PolarHBondContact O-N 3.43Å; S436-C440 VanDerWaalsContact O-N 3.14Å; S436-C440 PolarHBondContact O-SG 3.28Å; G437-C440 PolarHBondContact O-N 3.43Å; L438-C440 VanDerWaalsContact C-N 3.28Å; L438-C440 PolarHBondContact O-N 3.19Å; C440-S443 PolarHBondContact O-N 3.41Å; C440-S443 PolarHBondContact O-OG 3Å; C440-V444 WeakPolarHBondContact O-CG2 3.29Å; C440-V444 PolarHBondContact O-N 2.96Å
441L92.4Very high87.8Confident0 Ų058.4 Ų58.40%029%0.292CS..Hα-helixtrans-63.1-46.3179.1-74176.3000112A259 V323 W377 I381 L384 G437 L438 S443 V444 Y445A259-L441 HydrophobicContact CB-CD1 3.71Å; A259-L441 HydrophobicContact CB-CD2 3.78Å; A259-L441 HydrophobicContact CB-CG 3.53Å; V323-L441 HydrophobicContact CB-CD1 4.49Å; V323-L441 HydrophobicContact CG1-CB 4.06Å; V323-L441 HydrophobicContact CG1-CD1 3.48Å; V323-L441 VanDerWaalsContact CG1-CD1 3.48Å; V323-L441 HydrophobicContact CG1-CG 4.41Å; V323-L441 HydrophobicContact CG2-CD1 4.13Å; W377-L441 HydrophobicContact CD2-CD1 4.31Å; W377-L441 HydrophobicContact CE3-CD1 3.88Å; W377-L441 HydrophobicContact CZ3-CD1 4.08Å; I381-L441 HydrophobicContact CG1-CD1 4.35Å; I381-L441 HydrophobicContact CG1-CD2 4.07Å; L384-L441 HydrophobicContact CD2-CD2 4.25Å; G437-L441 PolarHBondContact O-N 3.13Å; L438-L441 PolarHBondContact O-N 3.39Å; L441-S443 VanDerWaalsContact C-N 3.26Å; L441-S443 PolarHBondContact O-N 3.11Å; L441-V444 PolarHBondContact O-N 2.71Å; L441-V444 VanDerWaalsContact O-N 3.1Å; L441-Y445 HydrophobicContact CB-CD2 4.47Å; L441-Y445 HydrophobicContact CB-CE2 4.43Å; L441-Y445 WeakPolarHBondContact O-CD2 3.4Å; L441-Y445 PolarHBondContact O-N 3.43Å
442L91.5Very high85.9Confident62 Ų6258.4 Ų58.433%0.32529%0.293SS..Hα-helixtrans-60.1-37.4177.7-69.5179000111.8I324 L438 V444 Y445 W446I324-L442 HydrophobicContact CD1-CD2 4.37Å; I324-L442 HydrophobicContact CG1-CD1 4.45Å; I324-L442 HydrophobicContact CG1-CD2 4.27Å; L438-L442 HydrophobicContact CD1-CD1 3.83Å; L438-L442 HydrophobicContact CD1-CG 3.95Å; L438-L442 HydrophobicContact CD2-CD1 4.47Å; L438-L442 HydrophobicContact CG-CD1 3.91Å; L438-L442 HydrophobicContact CG-CG 4.36Å; L438-L442 WeakPolarHBondContact O-CB 3.42Å; L438-L442 WeakPolarHBondContact O-CG 3.34Å; L438-L442 PolarHBondContact O-N 3.29Å; L442-V444 VanDerWaalsContact C-N 3.31Å; L442-V444 PolarHBondContact O-N 3.09Å; L442-Y445 PolarHBondContact O-N 2.62Å; L442-W446 VanDerWaalsContact O-CB 3.29Å; L442-W446 WeakPolarHBondContact O-CB 3.36Å; L442-W446 PolarHBondContact O-N 3.35Å
443S90Very high83.8Confident36 Ų3658.6 Ų58.625%0.25229%0.294SS..Hα-helixtrans-62.1-36.8176.1790000112.9C255 Y439 C440 L441 S447C255-S443 PolarHBondContact SG-OG 3.45Å; C255-S443 VanDerWaalsContact SG-OG 3.42Å; Y439-S443 WeakPolarHBondContact O-CB 3.44Å; Y439-S443 PolarHBondContact O-N 2.85Å; C440-S443 PolarHBondContact O-N 3.41Å; C440-S443 PolarHBondContact O-OG 3Å; L441-S443 VanDerWaalsContact C-N 3.26Å; L441-S443 PolarHBondContact O-N 3.11Å; S443-S447 VanDerWaalsContact O-CB 3.32Å; S443-S447 WeakPolarHBondContact O-CB 3.33Å; S443-S447 PolarHBondContact O-N 3.34Å; S443-S447 PolarHBondContact O-OG 2.95Å
444V89.3Confident81.4Confident10 Ų1061.9 Ų61.96%0.06131%0.313CS..Hα-helixtrans-73.6-46.2178-178.80000110.5P252 C255 L384 I388 C440 L441 L442 W446 S447 H448P252-V444 HydrophobicContact CB-CG1 4.28Å; C255-V444 HydrophobicContact CB-CG2 3.29Å; L384-V444 HydrophobicContact CD1-CG1 4.17Å; L384-V444 HydrophobicContact CD2-CB 4.35Å; L384-V444 HydrophobicContact CD2-CG1 3.86Å; L384-V444 HydrophobicContact CG-CG1 4.41Å; I388-V444 HydrophobicContact CD1-CG1 4.24Å; C440-V444 WeakPolarHBondContact O-CG2 3.29Å; C440-V444 PolarHBondContact O-N 2.96Å; L441-V444 PolarHBondContact O-N 2.71Å; L441-V444 VanDerWaalsContact O-N 3.1Å; L442-V444 VanDerWaalsContact C-N 3.31Å; L442-V444 PolarHBondContact O-N 3.09Å; V444-W446 VanDerWaalsContact C-N 3.31Å; V444-W446 PolarHBondContact O-N 3.42Å; V444-S447 PolarHBondContact O-N 3.3Å; V444-H448 WeakPolarHBondContact O-CB 3.37Å; V444-H448 PolarHBondContact O-N 3.01Å
445Y85.8Confident79Confident15 Ų1569 Ų696%0.05935%0.35CS..Hα-helixtrans-58.3-43.8175.5-78.6-66.6000111.7E319 V323 Q380 L384 L441 L442 H448 L449E319-Y445 HydrophobicContact CB-CD1 3.59Å; E319-Y445 HydrophobicContact CB-CE1 3.87Å; V323-Y445 HydrophobicContact CG2-CE2 3.92Å; Q380-Y445 PolarHBondContact OE1-OH 2.92Å; L384-Y445 HydrophobicContact CD1-CE1 4.31Å; L441-Y445 HydrophobicContact CB-CD2 4.47Å; L441-Y445 HydrophobicContact CB-CE2 4.43Å; L441-Y445 WeakPolarHBondContact O-CD2 3.4Å; L441-Y445 PolarHBondContact O-N 3.43Å; L442-Y445 PolarHBondContact O-N 2.62Å; Y445-H448 PolarHBondContact O-N 3.27Å; Y445-L449 WeakPolarHBondContact O-CB 3.23Å; Y445-L449 PolarHBondContact O-N 2.83Å
446W83.9Confident76.5Confident191 Ų19173 Ų7372%0.72337%0.368SS*.Hα-helixtrans-64.6-43.6177.2-170.7-87.3000112.8L442 V444 H448 L449 S450L442-W446 VanDerWaalsContact O-CB 3.29Å; L442-W446 WeakPolarHBondContact O-CB 3.36Å; L442-W446 PolarHBondContact O-N 3.35Å; V444-W446 VanDerWaalsContact C-N 3.31Å; V444-W446 PolarHBondContact O-N 3.42Å; W446-H448 PolarHBondContact O-N 3.38Å; W446-L449 PolarHBondContact O-N 2.67Å; W446-S450 WeakPolarHBondContact O-CB 3.39Å; W446-S450 PolarHBondContact O-N 3.29Å; W446-S450 PolarHBondContact O-OG 3.41Å
447S81.7Confident74Confident65 Ų6577 Ų7746%0.45540%0.403SS..Hα-helixtrans-63.4-28.4175.6-610000112.2S443 V444 S450 R451S443-S447 VanDerWaalsContact O-CB 3.32Å; S443-S447 WeakPolarHBondContact O-CB 3.33Å; S443-S447 PolarHBondContact O-N 3.34Å; S443-S447 PolarHBondContact O-OG 2.95Å; V444-S447 PolarHBondContact O-N 3.3Å; S447-S450 WeakPolarHBondContact CA-OG 3.47Å; S447-S450 PolarHBondContact O-OG 2.73Å; S447-S450 VanDerWaalsContact O-OG 3.1Å; S447-R451 WeakPolarHBondContact O-CG 3.44Å
448H74.3Confident72.8Confident47 Ų4780.8 Ų80.822%0.21842%0.424CS..Hα-helixtrans-79.8-47.3177-166.956000112.2E319 F387 V444 Y445 W446 S450 R451 S452E319-H448 IonicContact OE2-CD2 2.62Å; F387-H448 AromaticContact CD1-NE2 3.9Å; F387-H448 AromaticContact CE1-CE1 3.19Å; F387-H448 WeakPolarHBondContact CE1-CE1 3.44Å; F387-H448 AromaticContact CE1-NE2 3.07Å; F387-H448 WeakPolarHBondContact CE1-NE2 3.28Å; F387-H448 AromaticContact CZ-CE1 3.85Å; F387-H448 AromaticContact CZ-NE2 3.36Å; F387-H448 WeakPolarHBondContact CZ-NE2 3.38Å; V444-H448 WeakPolarHBondContact O-CB 3.37Å; V444-H448 PolarHBondContact O-N 3.01Å; Y445-H448 PolarHBondContact O-N 3.27Å; W446-H448 PolarHBondContact O-N 3.38Å; H448-S450 VanDerWaalsContact C-N 3.31Å; H448-S450 PolarHBondContact O-N 2.69Å; H448-R451 WeakPolarHBondContact O-CB 3.39Å; H448-R451 PolarHBondContact O-N 2.96Å; H448-R451 VanDerWaalsContact O-N 3.08Å; H448-S452 PolarHBondContact O-N 3.33Å
449L67.6Low71.6Confident76 Ų7683.8 Ų83.840%0.39844%0.439SS..Hα-helixtrans-60.8-39.8178.1-167.373.3000112Y445 W446 R451 S452 V453Y445-L449 WeakPolarHBondContact O-CB 3.23Å; Y445-L449 PolarHBondContact O-N 2.83Å; W446-L449 PolarHBondContact O-N 2.67Å; L449-R451 VanDerWaalsContact C-N 3.3Å; L449-R451 PolarHBondContact O-N 3.48Å; L449-S452 WeakPolarHBondContact CA-OG 3.24Å; L449-S452 PolarHBondContact O-N 3.2Å; L449-S452 PolarHBondContact O-OG 3.24Å; L449-V453 VanDerWaalsContact O-CG2 3.31Å; L449-V453 WeakPolarHBondContact O-CG2 3.35Å; L449-V453 PolarHBondContact O-N 3.07Å
450S61Low70.3Confident47 Ų4778.7 Ų78.733%0.32943%0.425SS..Hα-helixtrans-63.6-34.5175.250.20000112.8W446 S447 H448 N454W446-S450 WeakPolarHBondContact O-CB 3.39Å; W446-S450 PolarHBondContact O-N 3.29Å; W446-S450 PolarHBondContact O-OG 3.41Å; S447-S450 WeakPolarHBondContact CA-OG 3.47Å; S447-S450 PolarHBondContact O-OG 2.73Å; S447-S450 VanDerWaalsContact O-OG 3.1Å; H448-S450 VanDerWaalsContact C-N 3.31Å; H448-S450 PolarHBondContact O-N 2.69Å; S450-N454 WeakPolarHBondContact O-CB 3.33Å; S450-N454 PolarHBondContact O-N 2.96Å; S450-N454 VanDerWaalsContact O-N 3.13Å; S450-N454 PolarHBondContact O-ND2 3.34Å
451R61.2Low68.9Low180 Ų18082.3 Ų82.368%0.67944%0.444SS*.Hα-helixtrans-71.6-37.5174.9-74.7178.8177.8-173.2-1.4112.8S447 H448 L449 L455S447-R451 WeakPolarHBondContact O-CG 3.44Å; H448-R451 WeakPolarHBondContact O-CB 3.39Å; H448-R451 PolarHBondContact O-N 2.96Å; H448-R451 VanDerWaalsContact O-N 3.08Å; L449-R451 VanDerWaalsContact C-N 3.3Å; L449-R451 PolarHBondContact O-N 3.48Å; R451-L455 WeakPolarHBondContact O-CG 3.47Å; R451-L455 PolarHBondContact O-N 3.07Å
452S57.2Low67.5Low42 Ų4287.4 Ų87.429%0.29447%0.471SS..Hα-helixtrans-71-36.3177.560.10000112.3H448 L449 L455 I456H448-S452 PolarHBondContact O-N 3.33Å; L449-S452 WeakPolarHBondContact CA-OG 3.24Å; L449-S452 PolarHBondContact O-N 3.2Å; L449-S452 PolarHBondContact O-OG 3.24Å; S452-L455 PolarHBondContact O-N 2.98Å; S452-I456 WeakPolarHBondContact O-CD1 3.4Å; S452-I456 WeakPolarHBondContact O-CG1 3.34Å
453V52.9Low65.9Low82 Ų8289.1 Ų89.150%0.49748%0.481SS..Hα-helixtrans-66.1-42.4173.9173.70000111.6L449 L455 I456 A457L449-V453 VanDerWaalsContact O-CG2 3.31Å; L449-V453 WeakPolarHBondContact O-CG2 3.35Å; L449-V453 PolarHBondContact O-N 3.07Å; V453-L455 PolarHBondContact O-N 3.34Å; V453-I456 PolarHBondContact O-N 3.21Å; V453-A457 PolarHBondContact O-N 3.28Å; V453-A457 VanDerWaalsContact O-N 3.11Å
454N46.8Very low64.1Low118 Ų11892.9 Ų92.963%0.63150%0.497SS*.THydrogen-bonded Turntrans-69.3-11.9177.6-71.4-12.7000114.5S450S450-N454 WeakPolarHBondContact O-CB 3.33Å; S450-N454 PolarHBondContact O-N 2.96Å; S450-N454 VanDerWaalsContact O-N 3.13Å; S450-N454 PolarHBondContact O-ND2 3.34Å
455L47.6Very low62.2Low149 Ų14999.3 Ų99.378%0.7853%0.531SS*.THydrogen-bonded Turntrans-89.6-13.8171.9-76.9164.1000112.5R451 S452 V453R451-L455 WeakPolarHBondContact O-CG 3.47Å; R451-L455 PolarHBondContact O-N 3.07Å; S452-L455 PolarHBondContact O-N 2.98Å; V453-L455 PolarHBondContact O-N 3.34Å
456I44.9Very low60.2Low148 Ų148106.3 Ų106.376%0.75957%0.57SS**THydrogen-bonded Turntrans-100.1-29.6-178.7-62.9166.6000111.2S452 V453S452-I456 WeakPolarHBondContact O-CD1 3.4Å; S452-I456 WeakPolarHBondContact O-CG1 3.34Å; V453-I456 PolarHBondContact O-N 3.21Å
457A43.8Very low58.1Low131 Ų13198.6 Ų98.6100%1.08356%0.556SS**  trans-79.70168.500000110.5V453V453-A457 PolarHBondContact O-N 3.28Å; V453-A457 VanDerWaalsContact O-N 3.11Å

Retrieved 457 of 457 residues in 1133.6 ms (Link to these results)

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