A0A3Q0KTZ8_SCHMA Loading...

Putative normocyte-binding protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KTZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 759 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
1M46.7Very low60.8Low210 Ų210111.9 Ų111.9100%1.03455%0.548SS*.  0-48.60-122.9-164-90.200113F3M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 2.7Å
2I52.8Low61.2Low146 Ų146114.4 Ų114.475%0.74955%0.547SS*.Hα-helixtrans-58.9-38.6178.7-61.2169.1000112.4R5 S6I2-R5 WeakPolarHBondContact O-CB 3.48Å; I2-R5 PolarHBondContact O-N 2.97Å; I2-S6 PolarHBondContact O-N 3.39Å; I2-S6 VanDerWaalsContact O-N 3.13Å
3F52Low61.5Low78 Ų78116.5 Ų116.534%0.34255%0.548SS..Hα-helixtrans-67.1-43.5-178.2-178.3-108.6000115.2M1 R5 S6 I7 F54M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 2.7Å; F3-R5 PolarHBondContact O-N 3.41Å; F3-S6 PolarHBondContact O-N 3.2Å; F3-I7 HydrophobicContact CD1-CD1 3.92Å; F3-I7 HydrophobicContact CD1-CG1 4.49Å; F3-I7 HydrophobicContact CE1-CD1 3.23Å; F3-I7 HydrophobicContact CE1-CG1 4.07Å; F3-I7 HydrophobicContact CE2-CD1 4.25Å; F3-I7 HydrophobicContact CE2-CG1 4.32Å; F3-I7 HydrophobicContact CZ-CD1 3.44Å; F3-I7 VanDerWaalsContact CZ-CD1 3.44Å; F3-I7 HydrophobicContact CZ-CG1 3.98Å; F3-I7 PolarHBondContact O-N 3.41Å; F3-F54 HydrophobicContact CB-CZ 4.28Å; F3-F54 HydrophobicContact CD1-CZ 4.42Å; F3-F54 AromaticContact CD2-CD2 3.99Å; F3-F54 HydrophobicContact CD2-CD2 3.99Å; F3-F54 AromaticContact CD2-CE2 3.37Å; F3-F54 HydrophobicContact CD2-CE2 3.37Å; F3-F54 AromaticContact CD2-CZ 3.76Å; F3-F54 HydrophobicContact CD2-CZ 3.76Å; F3-F54 AromaticContact CE2-CD2 3.53Å; F3-F54 HydrophobicContact CE2-CD2 3.53Å; F3-F54 AromaticContact CE2-CE2 3.44Å; F3-F54 HydrophobicContact CE2-CE2 3.44Å; F3-F54 VanDerWaalsContact CE2-CE2 3.44Å; F3-F54 HydrophobicContact CE2-CG 4.27Å; F3-F54 HydrophobicContact CE2-CZ 4.12Å; F3-F54 HydrophobicContact CG-CE2 4.01Å; F3-F54 AromaticContact CG-CZ 3.91Å; F3-F54 HydrophobicContact CG-CZ 3.91Å; F3-F54 AromaticContact CZ-CD2 3.91Å; F3-F54 HydrophobicContact CZ-CD2 3.91Å; F3-F54 HydrophobicContact CZ-CE2 4.11Å; F3-F54 HydrophobicContact CZ-CG 4.21Å
4L60.2Low61.7Low115 Ų115112.6 Ų112.660%0.60253%0.526SS*.Hα-helixtrans-56.9-37.8174.5-77.8167.5000110.3I7 D8L4-I7 PolarHBondContact O-N 3.44Å; L4-D8 WeakPolarHBondContact O-CB 3.46Å; L4-D8 VanDerWaalsContact O-CG 3.27Å; L4-D8 PolarHBondContact O-N 3.17Å
5R62.8Low61.8Low192 Ų192112.6 Ų112.673%0.72553%0.526SS*.Hα-helixtrans-63.2-42.7173.9-116.7-176.8-167.8175.53.3113.4I2 F3 D8 E9I2-R5 WeakPolarHBondContact O-CB 3.48Å; I2-R5 PolarHBondContact O-N 2.97Å; F3-R5 PolarHBondContact O-N 3.41Å; R5-D8 PolarHBondContact O-N 2.92Å; R5-E9 WeakPolarHBondContact O-CB 2.82Å; R5-E9 PolarHBondContact O-N 3.36Å
6S62.9Low62Low58 Ų58111.4 Ų111.441%0.40652%0.524SS..Hα-helixtrans-68.9-37.3178-65.50000112.7I2 F3 E9 E10I2-S6 PolarHBondContact O-N 3.39Å; I2-S6 VanDerWaalsContact O-N 3.13Å; F3-S6 PolarHBondContact O-N 3.2Å; S6-E9 WeakPolarHBondContact O-CB 3.48Å; S6-E9 PolarHBondContact O-N 2.73Å; S6-E10 PolarHBondContact O-N 3.29Å
7I64.7Low62.1Low62 Ų62112.6 Ų112.632%0.31852%0.524SS..Hα-helixtrans-63.5-44.9171.4-72.5-179.1000110.4F3 L4 E9 E10 N11F3-I7 HydrophobicContact CD1-CD1 3.92Å; F3-I7 HydrophobicContact CD1-CG1 4.49Å; F3-I7 HydrophobicContact CE1-CD1 3.23Å; F3-I7 HydrophobicContact CE1-CG1 4.07Å; F3-I7 HydrophobicContact CE2-CD1 4.25Å; F3-I7 HydrophobicContact CE2-CG1 4.32Å; F3-I7 HydrophobicContact CZ-CD1 3.44Å; F3-I7 VanDerWaalsContact CZ-CD1 3.44Å; F3-I7 HydrophobicContact CZ-CG1 3.98Å; F3-I7 PolarHBondContact O-N 3.41Å; L4-I7 PolarHBondContact O-N 3.44Å; I7-E9 VanDerWaalsContact C-N 3.26Å; I7-E9 PolarHBondContact O-N 2.97Å; I7-E10 PolarHBondContact O-N 3.22Å; I7-N11 WeakPolarHBondContact CG2-ND2 3.5Å; I7-N11 VanDerWaalsContact O-CB 3.27Å; I7-N11 WeakPolarHBondContact O-CB 3.42Å; I7-N11 PolarHBondContact O-N 2.91Å; I7-N11 PolarHBondContact O-ND2 3.42Å
8D67Low62Low103 Ų103108.1 Ų108.155%0.55150%0.504SS*.Hα-helixtrans-62.5-36.6176.5-74-21.3000111.5L4 R5 R12L4-D8 WeakPolarHBondContact O-CB 3.46Å; L4-D8 VanDerWaalsContact O-CG 3.27Å; L4-D8 PolarHBondContact O-N 3.17Å; R5-D8 PolarHBondContact O-N 2.92Å; D8-R12 WeakPolarHBondContact O-CB 3.33Å; D8-R12 PolarHBondContact O-N 3.47Å
9E66.9Low62Low105 Ų105106.1 Ų106.149%0.49149%0.494SS..Hα-helixtrans-64.9-47173.6-101.2171.2-176.500113.1R5 S6 I7 R12 Y13R5-E9 WeakPolarHBondContact O-CB 2.82Å; R5-E9 PolarHBondContact O-N 3.36Å; S6-E9 WeakPolarHBondContact O-CB 3.48Å; S6-E9 PolarHBondContact O-N 2.73Å; I7-E9 VanDerWaalsContact C-N 3.26Å; I7-E9 PolarHBondContact O-N 2.97Å; E9-R12 PolarHBondContact O-N 3.01Å; E9-R12 IonicContact OE1-NH2 2.71Å; E9-R12 PolarHBondContact OE1-NH2 2.99Å; E9-Y13 PolarHBondContact O-N 2.87Å
10E65.1Low61.8Low79 Ų79106 Ų10637%0.36950%0.498SS..Hα-helixtrans-65.7-44175.5-98-147.115700111.9S6 I7 R12 Y13 Y14S6-E10 PolarHBondContact O-N 3.29Å; I7-E10 PolarHBondContact O-N 3.22Å; E10-R12 PolarHBondContact O-N 2.84Å; E10-Y13 CarbonylContact O-C 3.52Å; E10-Y13 WeakPolarHBondContact O-CA 3.42Å; E10-Y13 WeakPolarHBondContact O-CB 3.27Å; E10-Y13 PolarHBondContact O-N 2.94Å; E10-Y14 WeakPolarHBondContact O-CB 3.24Å; E10-Y14 PolarHBondContact O-N 2.78Å
11N68.2Low61.5Low83 Ų83105.4 Ų105.444%0.44450%0.497SS..Hα-helixtrans-59.4-39.2176.2-81.3-25.5000111I7 Y14 H15I7-N11 WeakPolarHBondContact CG2-ND2 3.5Å; I7-N11 VanDerWaalsContact O-CB 3.27Å; I7-N11 WeakPolarHBondContact O-CB 3.42Å; I7-N11 PolarHBondContact O-N 2.91Å; I7-N11 PolarHBondContact O-ND2 3.42Å; N11-Y14 WeakPolarHBondContact O-CB 3.48Å; N11-Y14 PolarHBondContact O-N 3.31Å; N11-H15 PolarHBondContact O-N 2.86Å
12R64.9Low61.9Low142 Ų14297.1 Ų97.154%0.53646%0.456SS..Hα-helixtrans-67.9-36.2174.6-170.9173.756-169.8-0.3112.1D8 E9 E10 N16D8-R12 WeakPolarHBondContact O-CB 3.33Å; D8-R12 PolarHBondContact O-N 3.47Å; E9-R12 PolarHBondContact O-N 3.01Å; E9-R12 IonicContact OE1-NH2 2.71Å; E9-R12 PolarHBondContact OE1-NH2 2.99Å; E10-R12 PolarHBondContact O-N 2.84Å; R12-N16 VanDerWaalsContact O-CB 3.25Å; R12-N16 WeakPolarHBondContact O-CB 3.37Å; R12-N16 PolarHBondContact O-N 2.85Å
13Y64.8Low61.9Low141 Ų14196.7 Ų96.755%0.55345%0.449SS*.Hα-helixtrans-66.8-40172.3-142.9-84.3000111.5E9 E10 N16 Y17E9-Y13 PolarHBondContact O-N 2.87Å; E10-Y13 CarbonylContact O-C 3.52Å; E10-Y13 WeakPolarHBondContact O-CA 3.42Å; E10-Y13 WeakPolarHBondContact O-CB 3.27Å; E10-Y13 PolarHBondContact O-N 2.94Å; Y13-N16 PolarHBondContact O-N 3.47Å; Y13-Y17 AromaticContact CD1-CD2 3.49Å; Y13-Y17 HydrophobicContact CD1-CD2 3.49Å; Y13-Y17 VanDerWaalsContact CD1-CD2 3.49Å; Y13-Y17 HydrophobicContact CD1-CE2 4.17Å; Y13-Y17 HydrophobicContact CD1-CG 4.21Å; Y13-Y17 HydrophobicContact CD2-CD2 4.08Å; Y13-Y17 AromaticContact CD2-CE2 3.99Å; Y13-Y17 HydrophobicContact CD2-CE2 3.99Å; Y13-Y17 AromaticContact CE1-CD2 3.44Å; Y13-Y17 HydrophobicContact CE1-CD2 3.44Å; Y13-Y17 VanDerWaalsContact CE1-CD2 3.44Å; Y13-Y17 AromaticContact CE1-CE2 3.9Å; Y13-Y17 HydrophobicContact CE1-CE2 3.9Å; Y13-Y17 AromaticContact CE1-CG 3.98Å; Y13-Y17 HydrophobicContact CE1-CG 3.98Å; Y13-Y17 HydrophobicContact CE2-CD2 4.05Å; Y13-Y17 AromaticContact CE2-CE2 3.71Å; Y13-Y17 HydrophobicContact CE2-CE2 3.71Å; Y13-Y17 AromaticContact CG-CD2 3.82Å; Y13-Y17 HydrophobicContact CG-CD2 3.82Å; Y13-Y17 HydrophobicContact CG-CE2 4.21Å; Y13-Y17 AromaticContact CZ-CD2 3.74Å; Y13-Y17 AromaticContact CZ-CE2 3.67Å; Y13-Y17 WeakPolarHBondContact O-CB 3.49Å; Y13-Y17 PolarHBondContact O-N 3.43Å
14Y65.3Low61.9Low62 Ų6299.4 Ų99.424%0.24346%0.463CS..Iπ-helixtrans-62-51.1176.2-167.3-87.7000111E10 N11 L18 E19 Y43E10-Y14 WeakPolarHBondContact O-CB 3.24Å; E10-Y14 PolarHBondContact O-N 2.78Å; N11-Y14 WeakPolarHBondContact O-CB 3.48Å; N11-Y14 PolarHBondContact O-N 3.31Å; Y14-L18 HydrophobicContact CD2-CB 3.98Å; Y14-L18 HydrophobicContact CD2-CD1 3.92Å; Y14-L18 HydrophobicContact CD2-CG 4.44Å; Y14-L18 HydrophobicContact CE2-CB 4.2Å; Y14-L18 HydrophobicContact CE2-CD1 4.29Å; Y14-L18 HydrophobicContact CE2-CD2 4.41Å; Y14-L18 HydrophobicContact CG-CB 4.23Å; Y14-L18 CarbonylContact O-C 3.55Å; Y14-L18 WeakPolarHBondContact O-CA 3.16Å; Y14-L18 WeakPolarHBondContact O-CB 3.49Å; Y14-L18 PolarHBondContact O-N 2.75Å; Y14-E19 PolarHBondContact O-N 2.85Å; Y14-Y43 AromaticContact CD2-CD1 3.89Å; Y14-Y43 HydrophobicContact CD2-CD1 3.89Å; Y14-Y43 AromaticContact CD2-CE1 3.53Å; Y14-Y43 HydrophobicContact CD2-CE1 3.53Å; Y14-Y43 AromaticContact CE2-CD1 3.7Å; Y14-Y43 HydrophobicContact CE2-CD1 3.7Å; Y14-Y43 AromaticContact CE2-CE1 3.85Å; Y14-Y43 HydrophobicContact CE2-CE1 3.85Å; Y14-Y43 HydrophobicContact CE2-CG 4.25Å
15H63Low61.1Low113 Ų113100.9 Ų100.952%0.52347%0.467SS..Iπ-helixtrans-63.8-41.1176.3-85.228.1000112.8N11 E19N11-H15 PolarHBondContact O-N 2.86Å; H15-E19 WeakPolarHBondContact CA-OE2 3.44Å; H15-E19 IonicContact CD2-OE2 3.35Å; H15-E19 IonicContact CE1-OE2 3.91Å; H15-E19 IonicContact CG-OE2 3.87Å; H15-E19 IonicContact ND1-OE2 3.48Å; H15-E19 WeakPolarHBondContact O-CB 3.22Å
16N65.4Low60.2Low94 Ų9497.6 Ų97.650%0.50347%0.468SS..Iπ-helixtrans-75.3-39.1-176.9-81.3-12.7000113.9R12 Y13 N20R12-N16 VanDerWaalsContact O-CB 3.25Å; R12-N16 WeakPolarHBondContact O-CB 3.37Å; R12-N16 PolarHBondContact O-N 2.85Å; Y13-N16 PolarHBondContact O-N 3.47Å; N16-N20 PolarHBondContact O-ND2 3.39Å
17Y63.3Low59.4Low132 Ų132100 Ų10052%0.51848%0.48SS..Iπ-helixtrans-110.9-45.8-170.1-64.5-79.6000112.9Y13 I21Y13-Y17 AromaticContact CD1-CD2 3.49Å; Y13-Y17 HydrophobicContact CD1-CD2 3.49Å; Y13-Y17 VanDerWaalsContact CD1-CD2 3.49Å; Y13-Y17 HydrophobicContact CD1-CE2 4.17Å; Y13-Y17 HydrophobicContact CD1-CG 4.21Å; Y13-Y17 HydrophobicContact CD2-CD2 4.08Å; Y13-Y17 AromaticContact CD2-CE2 3.99Å; Y13-Y17 HydrophobicContact CD2-CE2 3.99Å; Y13-Y17 AromaticContact CE1-CD2 3.44Å; Y13-Y17 HydrophobicContact CE1-CD2 3.44Å; Y13-Y17 VanDerWaalsContact CE1-CD2 3.44Å; Y13-Y17 AromaticContact CE1-CE2 3.9Å; Y13-Y17 HydrophobicContact CE1-CE2 3.9Å; Y13-Y17 AromaticContact CE1-CG 3.98Å; Y13-Y17 HydrophobicContact CE1-CG 3.98Å; Y13-Y17 HydrophobicContact CE2-CD2 4.05Å; Y13-Y17 AromaticContact CE2-CE2 3.71Å; Y13-Y17 HydrophobicContact CE2-CE2 3.71Å; Y13-Y17 AromaticContact CG-CD2 3.82Å; Y13-Y17 HydrophobicContact CG-CD2 3.82Å; Y13-Y17 HydrophobicContact CG-CE2 4.21Å; Y13-Y17 AromaticContact CZ-CD2 3.74Å; Y13-Y17 AromaticContact CZ-CE2 3.67Å; Y13-Y17 WeakPolarHBondContact O-CB 3.49Å; Y13-Y17 PolarHBondContact O-N 3.43Å; Y17-I21 WeakPolarHBondContact O-CD1 3.33Å; Y17-I21 WeakPolarHBondContact O-CG1 3.28Å; Y17-I21 PolarHBondContact O-N 3.1Å
18L60.2Low58.7Low31 Ų31106.2 Ų106.216%0.16251%0.508CS..Iπ-helixtrans-81.7-40.7-173.6-104.5142.9000112.2Y14 N20 I21 I22 I39 Y43Y14-L18 HydrophobicContact CD2-CB 3.98Å; Y14-L18 HydrophobicContact CD2-CD1 3.92Å; Y14-L18 HydrophobicContact CD2-CG 4.44Å; Y14-L18 HydrophobicContact CE2-CB 4.2Å; Y14-L18 HydrophobicContact CE2-CD1 4.29Å; Y14-L18 HydrophobicContact CE2-CD2 4.41Å; Y14-L18 HydrophobicContact CG-CB 4.23Å; Y14-L18 CarbonylContact O-C 3.55Å; Y14-L18 WeakPolarHBondContact O-CA 3.16Å; Y14-L18 WeakPolarHBondContact O-CB 3.49Å; Y14-L18 PolarHBondContact O-N 2.75Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 3.42Å; L18-I21 PolarHBondContact O-N 2.82Å; L18-I21 VanDerWaalsContact O-N 3.11Å; L18-I22 HydrophobicContact CD2-CD1 4.34Å; L18-I22 WeakPolarHBondContact O-CB 3.38Å; L18-I22 WeakPolarHBondContact O-CD1 3.47Å; L18-I22 WeakPolarHBondContact O-CG1 3.24Å; L18-I22 PolarHBondContact O-N 2.91Å; L18-I39 HydrophobicContact CD2-CG2 4.08Å; L18-Y43 HydrophobicContact CD1-CD2 4.42Å; L18-Y43 HydrophobicContact CD1-CE2 3.77Å
19E61Low58Low69 Ų69105 Ų10532%0.32251%0.507SS..Hα-helixtrans-59.2-42.2176.1-168.6174.5-167.800110.4Y14 H15 I21 I22 F23Y14-E19 PolarHBondContact O-N 2.85Å; H15-E19 WeakPolarHBondContact CA-OE2 3.44Å; H15-E19 IonicContact CD2-OE2 3.35Å; H15-E19 IonicContact CE1-OE2 3.91Å; H15-E19 IonicContact CG-OE2 3.87Å; H15-E19 IonicContact ND1-OE2 3.48Å; H15-E19 WeakPolarHBondContact O-CB 3.22Å; E19-I21 VanDerWaalsContact C-N 3.35Å; E19-I21 PolarHBondContact O-N 3.39Å; E19-I22 CarbonylContact O-C 3.46Å; E19-I22 WeakPolarHBondContact O-CB 3.46Å; E19-I22 PolarHBondContact O-N 3.39Å; E19-I22 VanDerWaalsContact O-N 3.1Å; E19-F23 HydrophobicContact CG-CD2 4.19Å; E19-F23 WeakPolarHBondContact O-CB 3.25Å; E19-F23 PolarHBondContact O-N 3.11Å
20N58.1Low57.7Low105 Ų105109.3 Ų109.356%0.56152%0.52SS*.Hα-helixtrans-62.5-35.8174.6-80.4-37.6000113.8N16 L18 I22 Q24N16-N20 PolarHBondContact O-ND2 3.39Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 3.42Å; N20-I22 VanDerWaalsContact C-N 3.33Å; N20-Q24 PolarHBondContact O-N 3.39Å
21I57Low57.4Low94 Ų94113.2 Ų113.248%0.48254%0.538SS..Hα-helixtrans-70.7-34.6174.4-66.8166.5000110.6Y17 L18 E19 L36Y17-I21 WeakPolarHBondContact O-CD1 3.33Å; Y17-I21 WeakPolarHBondContact O-CG1 3.28Å; Y17-I21 PolarHBondContact O-N 3.1Å; L18-I21 PolarHBondContact O-N 2.82Å; L18-I21 VanDerWaalsContact O-N 3.11Å; E19-I21 VanDerWaalsContact C-N 3.35Å; E19-I21 PolarHBondContact O-N 3.39Å; I21-L36 HydrophobicContact CG2-CD2 4.48Å
22I54Low56.9Low35 Ų35117.2 Ų117.218%0.17955%0.547CS..Hα-helixtrans-75.7-37.4179.3-70.6167000111.8L18 E19 N20 Q24 L36L18-I22 HydrophobicContact CD2-CD1 4.34Å; L18-I22 WeakPolarHBondContact O-CB 3.38Å; L18-I22 WeakPolarHBondContact O-CD1 3.47Å; L18-I22 WeakPolarHBondContact O-CG1 3.24Å; L18-I22 PolarHBondContact O-N 2.91Å; E19-I22 CarbonylContact O-C 3.46Å; E19-I22 WeakPolarHBondContact O-CB 3.46Å; E19-I22 PolarHBondContact O-N 3.39Å; E19-I22 VanDerWaalsContact O-N 3.1Å; N20-I22 VanDerWaalsContact C-N 3.33Å; I22-Q24 VanDerWaalsContact C-N 3.26Å; I22-Q24 PolarHBondContact O-N 2.81Å; I22-L36 HydrophobicContact CB-CD2 4.4Å; I22-L36 HydrophobicContact CG1-CD2 3.73Å
23F52.9Low57Low137 Ų137112.6 Ų112.660%0.60154%0.543SS*.SBendtrans-79.1-5.7179.7-121.9-77.3000113.3E19 E25E19-F23 HydrophobicContact CG-CD2 4.19Å; E19-F23 WeakPolarHBondContact O-CB 3.25Å; E19-F23 PolarHBondContact O-N 3.11Å; F23-E25 PolarHBondContact O-N 3.43Å
24Q51.5Low57.2Low135 Ų135111.4 Ų111.463%0.63154%0.541SS*.  trans-67.170.2158.7-74.3-175.9-5.300108.7N20 I22N20-Q24 PolarHBondContact O-N 3.39Å; I22-Q24 VanDerWaalsContact C-N 3.26Å; I22-Q24 PolarHBondContact O-N 2.81Å
25E44.6Very low57.3Low147 Ų147113.4 Ų113.469%0.68756%0.555SS**  trans-51.9143.4153-71.5-173.3146.700107.8F23F23-E25 PolarHBondContact O-N 3.43Å
26T43.8Very low57.5Low123 Ų123110 Ų11076%0.75554%0.541SS*.  trans73.9115.2176.381.20000110.9
27V45.6Very low57.8Low108 Ų108108.1 Ų108.166%0.65554%0.538SS*.  179.7118.181166.60000106.9C29V27-C29 PolarHBondContact O-N 3.29Å
28Q49.8Very low58.3Low192 Ų192105.4 Ų105.490%0.89753%0.532SS*.  trans47.225.3142.7-58-173.2-19.800122.8
29C51.9Low58.9Low79 Ų79106.9 Ų106.953%0.53454%0.54SS..  trans-127.5105.9164.3-82.50000111.3V27 E31 R32 G33V27-C29 PolarHBondContact O-N 3.29Å; C29-E31 PolarHBondContact O-N 2.98Å; C29-R32 HydrophobicContact CB-CB 3.95Å; C29-R32 WeakPolarHBondContact O-CB 3.47Å; C29-R32 PolarHBondContact O-N 2.82Å; C29-G33 PolarHBondContact O-N 3.48Å
30Y60.9Low59.4Low195 Ų195110.2 Ų110.277%0.76555%0.55SS*.Hα-helixtrans-48.1-39.9171.7169.3-99.8000112.3R32 G33 K34Y30-R32 VanDerWaalsContact C-N 3.33Å; Y30-R32 PolarHBondContact O-N 3.49Å; Y30-G33 PolarHBondContact O-N 2.86Å; Y30-K34 PolarHBondContact O-N 3.33Å
31E58.4Low60.2Low160 Ų160109.7 Ų109.775%0.74855%0.545SS*.Hα-helixtrans-61.5-38.2177.6-64.5-176.9160.800113.1C29 K34 L35C29-E31 PolarHBondContact O-N 2.98Å; E31-K34 PolarHBondContact O-N 3.2Å; E31-L35 PolarHBondContact O-N 3.35Å
32R59.1Low61.1Low168 Ų168110.4 Ų110.463%0.63455%0.549SS*.Hα-helixtrans-73.3-39.3-179-142.7176.4-173.6179-0.7111.2C29 Y30 L35 L36C29-R32 HydrophobicContact CB-CB 3.95Å; C29-R32 WeakPolarHBondContact O-CB 3.47Å; C29-R32 PolarHBondContact O-N 2.82Å; Y30-R32 VanDerWaalsContact C-N 3.33Å; Y30-R32 PolarHBondContact O-N 3.49Å; R32-L35 PolarHBondContact O-N 2.89Å; R32-L36 WeakPolarHBondContact O-CB 3Å; R32-L36 PolarHBondContact O-N 2.9Å
33G66.3Low62Low44 Ų44111.4 Ų111.445%0.45455%0.55SS.*Hα-helixtrans-63.2-39.9172.200000112.6C29 Y30 L36 A37C29-G33 PolarHBondContact O-N 3.48Å; Y30-G33 PolarHBondContact O-N 2.86Å; G33-L36 PolarHBondContact O-N 2.85Å; G33-A37 WeakPolarHBondContact O-CB 3.46Å; G33-A37 PolarHBondContact O-N 2.71Å
34K68.7Low63Low116 Ų116111 Ų11150%0.50455%0.548SS..Hα-helixtrans-64.5-45.6174.9-169.7178177.7-176.10111.9Y30 E31 L36 A37 D38Y30-K34 PolarHBondContact O-N 3.33Å; E31-K34 PolarHBondContact O-N 3.2Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-L36 PolarHBondContact O-N 3.34Å; K34-A37 PolarHBondContact O-N 2.88Å; K34-D38 WeakPolarHBondContact O-CB 3.47Å; K34-D38 PolarHBondContact O-N 3.48Å
35L68.3Low64.1Low104 Ų104110.7 Ų110.755%0.54555%0.545SS..Hα-helixtrans-58.3-44.4174.8-168.687.8000111.8E31 R32 D38 I39E31-L35 PolarHBondContact O-N 3.35Å; R32-L35 PolarHBondContact O-N 2.89Å; L35-D38 PolarHBondContact O-N 2.76Å; L35-I39 HydrophobicContact CD2-CD1 4.15Å; L35-I39 HydrophobicContact CG-CD1 4.05Å; L35-I39 WeakPolarHBondContact O-CB 3.37Å; L35-I39 VanDerWaalsContact O-CG1 3.24Å; L35-I39 WeakPolarHBondContact O-CG1 3.25Å; L35-I39 PolarHBondContact O-N 3.07Å
36L67.3Low65.5Low43 Ų43107.8 Ų107.823%0.22553%0.53CS..Hα-helixtrans-63.4-41.1176.7-103144.2000112.5I21 I22 R32 G33 K34 R40I21-L36 HydrophobicContact CG2-CD2 4.48Å; I22-L36 HydrophobicContact CB-CD2 4.4Å; I22-L36 HydrophobicContact CG1-CD2 3.73Å; R32-L36 WeakPolarHBondContact O-CB 3Å; R32-L36 PolarHBondContact O-N 2.9Å; G33-L36 PolarHBondContact O-N 2.85Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-L36 PolarHBondContact O-N 3.34Å; L36-R40 WeakPolarHBondContact O-CB 3.34Å; L36-R40 PolarHBondContact O-N 3.23Å
37A70.6Confident66.9Low53 Ų53105.9 Ų105.944%0.43852%0.515SS..Hα-helixtrans-63.5-44.8174.100000111.1G33 K34 R40 M41G33-A37 WeakPolarHBondContact O-CB 3.46Å; G33-A37 PolarHBondContact O-N 2.71Å; K34-A37 PolarHBondContact O-N 2.88Å; A37-R40 PolarHBondContact O-N 3.32Å; A37-M41 VanDerWaalsContact O-CB 3.27Å; A37-M41 WeakPolarHBondContact O-CB 3.42Å; A37-M41 PolarHBondContact O-N 2.92Å
38D75.1Confident68.2Low75 Ų75106 Ų10640%0.40151%0.508SS..Hα-helixtrans-62.3-44.9176.9-72-23.4000111.3K34 L35 M41 I42K34-D38 WeakPolarHBondContact O-CB 3.47Å; K34-D38 PolarHBondContact O-N 3.48Å; L35-D38 PolarHBondContact O-N 2.76Å; D38-M41 PolarHBondContact O-N 3.41Å; D38-I42 WeakPolarHBondContact O-CB 3.47Å; D38-I42 VanDerWaalsContact O-CG1 3.24Å; D38-I42 WeakPolarHBondContact O-CG1 3.46Å; D38-I42 PolarHBondContact O-N 2.95Å
39I72.2Confident69.5Low63 Ų6398.6 Ų98.632%0.32348%0.477SS..Hα-helixtrans-59.3-48.7174.4-70.3166.6000110.3L18 L35 M41 I42 Y43L18-I39 HydrophobicContact CD2-CG2 4.08Å; L35-I39 HydrophobicContact CD2-CD1 4.15Å; L35-I39 HydrophobicContact CG-CD1 4.05Å; L35-I39 WeakPolarHBondContact O-CB 3.37Å; L35-I39 VanDerWaalsContact O-CG1 3.24Å; L35-I39 WeakPolarHBondContact O-CG1 3.25Å; L35-I39 PolarHBondContact O-N 3.07Å; I39-M41 VanDerWaalsContact C-N 3.27Å; I39-M41 PolarHBondContact O-N 3.09Å; I39-I42 PolarHBondContact O-N 3.44Å; I39-Y43 WeakPolarHBondContact O-CB 3.49Å; I39-Y43 PolarHBondContact O-N 3.41Å
40R71.9Confident70.6Confident139 Ų13997.4 Ų97.453%0.52547%0.465SS..Hα-helixtrans-58-40.9176.1-87.1179168.6174.6-5.8111.9L36 A37 Y43 K44L36-R40 WeakPolarHBondContact O-CB 3.34Å; L36-R40 PolarHBondContact O-N 3.23Å; A37-R40 PolarHBondContact O-N 3.32Å; R40-Y43 PolarHBondContact O-N 2.86Å; R40-K44 WeakPolarHBondContact O-CB 3.25Å; R40-K44 PolarHBondContact O-N 2.78Å
41M74Confident71.3Confident94 Ų9492.2 Ų92.246%0.46346%0.455SS..Hα-helixtrans-72-38.2-177-148.7-85.3-49.400111.1A37 D38 I39 K45A37-M41 VanDerWaalsContact O-CB 3.27Å; A37-M41 WeakPolarHBondContact O-CB 3.42Å; A37-M41 PolarHBondContact O-N 2.92Å; D38-M41 PolarHBondContact O-N 3.41Å; I39-M41 VanDerWaalsContact C-N 3.27Å; I39-M41 PolarHBondContact O-N 3.09Å; M41-K45 WeakPolarHBondContact O-CB 3.22Å; M41-K45 PolarHBondContact O-N 3.34Å; M41-K45 HydrophobicContact SD-CD 4.2Å
42I76.5Confident72.1Confident109 Ų10989.7 Ų89.756%0.55945%0.446SS*.Hα-helixtrans-63.9-48.7171.1-68.5164.5000110.6D38 I39 K44 K45 F46D38-I42 WeakPolarHBondContact O-CB 3.47Å; D38-I42 VanDerWaalsContact O-CG1 3.24Å; D38-I42 WeakPolarHBondContact O-CG1 3.46Å; D38-I42 PolarHBondContact O-N 2.95Å; I39-I42 PolarHBondContact O-N 3.44Å; I42-K44 PolarHBondContact O-N 3.21Å; I42-K45 PolarHBondContact O-N 3.21Å; I42-F46 WeakPolarHBondContact O-CB 3.37Å; I42-F46 PolarHBondContact O-N 3Å
43Y72.2Confident73Confident55 Ų5587.6 Ų87.622%0.21644%0.441CS..Hα-helixtrans-64.2-42.3-179.5-129.5-91.3000111.5Y14 L18 I39 R40 F46 I47Y14-Y43 AromaticContact CD2-CD1 3.89Å; Y14-Y43 HydrophobicContact CD2-CD1 3.89Å; Y14-Y43 AromaticContact CD2-CE1 3.53Å; Y14-Y43 HydrophobicContact CD2-CE1 3.53Å; Y14-Y43 AromaticContact CE2-CD1 3.7Å; Y14-Y43 HydrophobicContact CE2-CD1 3.7Å; Y14-Y43 AromaticContact CE2-CE1 3.85Å; Y14-Y43 HydrophobicContact CE2-CE1 3.85Å; Y14-Y43 HydrophobicContact CE2-CG 4.25Å; L18-Y43 HydrophobicContact CD1-CD2 4.42Å; L18-Y43 HydrophobicContact CD1-CE2 3.77Å; I39-Y43 WeakPolarHBondContact O-CB 3.49Å; I39-Y43 PolarHBondContact O-N 3.41Å; R40-Y43 PolarHBondContact O-N 2.86Å; Y43-F46 WeakPolarHBondContact O-CB 3.33Å; Y43-F46 PolarHBondContact O-N 2.99Å; Y43-I47 HydrophobicContact CD1-CD1 3.77Å; Y43-I47 HydrophobicContact CD1-CG1 4.21Å; Y43-I47 HydrophobicContact CE1-CD1 4.22Å; Y43-I47 WeakPolarHBondContact O-CB 3.41Å; Y43-I47 WeakPolarHBondContact O-CG1 3.21Å; Y43-I47 PolarHBondContact O-N 2.64Å
44K74.7Confident73.3Confident129 Ų12989.5 Ų89.556%0.56144%0.437SS*.Hα-helixtrans-58.9-49174-179.3176.2174.8179.30111.1R40 I42 F46 I47 E48R40-K44 WeakPolarHBondContact O-CB 3.25Å; R40-K44 PolarHBondContact O-N 2.78Å; I42-K44 PolarHBondContact O-N 3.21Å; K44-F46 VanDerWaalsContact C-N 3.3Å; K44-F46 PolarHBondContact O-N 3.02Å; K44-I47 PolarHBondContact O-N 2.94Å; K44-E48 WeakPolarHBondContact CE-OE1 3.4Å; K44-E48 HydrophobicContact CG-CG 4.38Å; K44-E48 IonicContact NZ-OE1 3.85Å; K44-E48 WeakPolarHBondContact O-CB 3.41Å; K44-E48 VanDerWaalsContact O-CG 3.28Å; K44-E48 WeakPolarHBondContact O-CG 3.27Å; K44-E48 PolarHBondContact O-N 2.85Å
45K74.8Confident73.5Confident129 Ų12987.3 Ų87.356%0.56144%0.436SS*.Hα-helixtrans-60-39.7175.1-84.5-175174.9-178.80112.5M41 I42 S49M41-K45 WeakPolarHBondContact O-CB 3.22Å; M41-K45 PolarHBondContact O-N 3.34Å; M41-K45 HydrophobicContact SD-CD 4.2Å; I42-K45 PolarHBondContact O-N 3.21Å; K45-S49 VanDerWaalsContact O-CB 3.25Å; K45-S49 WeakPolarHBondContact O-CB 3.39Å; K45-S49 PolarHBondContact O-N 3.39Å; K45-S49 PolarHBondContact O-OG 3.32Å
46F73.3Confident73.9Confident86 Ų8687 Ų8738%0.37744%0.435SS..Hα-helixtrans-63.7-51.8178.2-177.9-105.6000111I42 Y43 K44 E48 S49 L50I42-F46 WeakPolarHBondContact O-CB 3.37Å; I42-F46 PolarHBondContact O-N 3Å; Y43-F46 WeakPolarHBondContact O-CB 3.33Å; Y43-F46 PolarHBondContact O-N 2.99Å; K44-F46 VanDerWaalsContact C-N 3.3Å; K44-F46 PolarHBondContact O-N 3.02Å; F46-E48 PolarHBondContact O-N 3.29Å; F46-S49 PolarHBondContact O-N 3.37Å; F46-S49 VanDerWaalsContact O-N 3.09Å; F46-S49 PolarHBondContact O-OG 3.2Å; F46-L50 HydrophobicContact CD1-CD1 3.92Å; F46-L50 HydrophobicContact CD1-CG 4.36Å; F46-L50 HydrophobicContact CE1-CD1 3.59Å; F46-L50 HydrophobicContact CE1-CD2 4.4Å; F46-L50 HydrophobicContact CE1-CG 4.08Å; F46-L50 HydrophobicContact CZ-CD1 4.19Å; F46-L50 HydrophobicContact CZ-CD2 4.16Å; F46-L50 HydrophobicContact CZ-CG 4.25Å; F46-L50 PolarHBondContact O-N 3.13Å
47I72.6Confident74.2Confident83 Ų8389 Ų8943%0.42645%0.445SS..Hα-helixtrans-59.7-43.4176.7-69.6176.7000111.3Y43 K44 S49 L50 P51Y43-I47 HydrophobicContact CD1-CD1 3.77Å; Y43-I47 HydrophobicContact CD1-CG1 4.21Å; Y43-I47 HydrophobicContact CE1-CD1 4.22Å; Y43-I47 WeakPolarHBondContact O-CB 3.41Å; Y43-I47 WeakPolarHBondContact O-CG1 3.21Å; Y43-I47 PolarHBondContact O-N 2.64Å; K44-I47 PolarHBondContact O-N 2.94Å; I47-S49 VanDerWaalsContact C-N 3.28Å; I47-S49 PolarHBondContact O-N 3.28Å; I47-L50 PolarHBondContact O-N 3.39Å; I47-P51 WeakPolarHBondContact O-CD 3.15Å
48E73.1Confident74.4Confident111 Ų11192.5 Ų92.552%0.51945%0.451SS..Hα-helixtrans-66.4-30.6177-73.9173.9169.700112.1K44 F46K44-E48 WeakPolarHBondContact CE-OE1 3.4Å; K44-E48 HydrophobicContact CG-CG 4.38Å; K44-E48 IonicContact NZ-OE1 3.85Å; K44-E48 WeakPolarHBondContact O-CB 3.41Å; K44-E48 VanDerWaalsContact O-CG 3.28Å; K44-E48 WeakPolarHBondContact O-CG 3.27Å; K44-E48 PolarHBondContact O-N 2.85Å; F46-E48 PolarHBondContact O-N 3.29Å
49S78.9Confident74.3Confident35 Ų3592.3 Ų92.325%0.24545%0.453CS..Hα-helixtrans-81.1-24178.678.50000114.4K45 F46 I47 I52 K53K45-S49 VanDerWaalsContact O-CB 3.25Å; K45-S49 WeakPolarHBondContact O-CB 3.39Å; K45-S49 PolarHBondContact O-N 3.39Å; K45-S49 PolarHBondContact O-OG 3.32Å; F46-S49 PolarHBondContact O-N 3.37Å; F46-S49 VanDerWaalsContact O-N 3.09Å; F46-S49 PolarHBondContact O-OG 3.2Å; I47-S49 VanDerWaalsContact C-N 3.28Å; I47-S49 PolarHBondContact O-N 3.28Å; S49-I52 PolarHBondContact O-N 3.06Å; S49-K53 PolarHBondContact O-N 3.39Å
50L74.9Confident74.3Confident55 Ų5595 Ų9529%0.28846%0.464SS..Hα-helixtrans-60.3-50.1-175.9-88.2171.5000112.6F46 I47 I52 K53 F54F46-L50 HydrophobicContact CD1-CD1 3.92Å; F46-L50 HydrophobicContact CD1-CG 4.36Å; F46-L50 HydrophobicContact CE1-CD1 3.59Å; F46-L50 HydrophobicContact CE1-CD2 4.4Å; F46-L50 HydrophobicContact CE1-CG 4.08Å; F46-L50 HydrophobicContact CZ-CD1 4.19Å; F46-L50 HydrophobicContact CZ-CD2 4.16Å; F46-L50 HydrophobicContact CZ-CG 4.25Å; F46-L50 PolarHBondContact O-N 3.13Å; I47-L50 PolarHBondContact O-N 3.39Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 3.1Å; L50-K53 PolarHBondContact O-N 2.94Å; L50-F54 VanDerWaalsContact O-CB 3.29Å; L50-F54 WeakPolarHBondContact O-CB 3.46Å; L50-F54 PolarHBondContact O-N 3.28Å
51P74.7Confident74.5Confident85 Ų8593.2 Ų93.255%0.55246%0.464SS*.Hα-helixtrans-58.1-37.7176.8-24.732.3000112.9I47 F54 S55I47-P51 WeakPolarHBondContact O-CD 3.15Å; P51-F54 PolarHBondContact O-N 3.22Å; P51-S55 WeakPolarHBondContact O-CB 3.45Å; P51-S55 PolarHBondContact O-N 2.97Å
52I76.1Confident74.7Confident107 Ų10793.6 Ų93.655%0.54946%0.464SS..Hα-helixtrans-69.3-49.6-179.2-57.4172.6000110.1S49 L50 F54 S55 N56S49-I52 PolarHBondContact O-N 3.06Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 3.1Å; I52-F54 VanDerWaalsContact C-N 3.26Å; I52-F54 PolarHBondContact O-N 3.41Å; I52-S55 PolarHBondContact O-N 2.91Å; I52-N56 VanDerWaalsContact O-CG 3.24Å; I52-N56 PolarHBondContact O-N 3.42Å; I52-N56 PolarHBondContact O-OD1 2.96Å
53K76.3Confident74.6Confident124 Ų12491.8 Ų91.854%0.53946%0.459SS..Hα-helixtrans-60.2-39.4176.2-73.8-178.8178.7177.70111.6S49 L50 N56 I57S49-K53 PolarHBondContact O-N 3.39Å; L50-K53 PolarHBondContact O-N 2.94Å; K53-N56 PolarHBondContact O-N 2.8Å; K53-I57 VanDerWaalsContact O-CG1 3.31Å; K53-I57 WeakPolarHBondContact O-CG1 3.29Å; K53-I57 PolarHBondContact O-N 2.94Å
54F73.8Confident74.7Confident85 Ų8593.8 Ų93.837%0.37347%0.471SS..Hα-helixtrans-72.3-40.7179.9-151.8-85.1000112.2F3 L50 P51 I52 N56 I57 F58F3-F54 HydrophobicContact CB-CZ 4.28Å; F3-F54 HydrophobicContact CD1-CZ 4.42Å; F3-F54 AromaticContact CD2-CD2 3.99Å; F3-F54 HydrophobicContact CD2-CD2 3.99Å; F3-F54 AromaticContact CD2-CE2 3.37Å; F3-F54 HydrophobicContact CD2-CE2 3.37Å; F3-F54 AromaticContact CD2-CZ 3.76Å; F3-F54 HydrophobicContact CD2-CZ 3.76Å; F3-F54 AromaticContact CE2-CD2 3.53Å; F3-F54 HydrophobicContact CE2-CD2 3.53Å; F3-F54 AromaticContact CE2-CE2 3.44Å; F3-F54 HydrophobicContact CE2-CE2 3.44Å; F3-F54 VanDerWaalsContact CE2-CE2 3.44Å; F3-F54 HydrophobicContact CE2-CG 4.27Å; F3-F54 HydrophobicContact CE2-CZ 4.12Å; F3-F54 HydrophobicContact CG-CE2 4.01Å; F3-F54 AromaticContact CG-CZ 3.91Å; F3-F54 HydrophobicContact CG-CZ 3.91Å; F3-F54 AromaticContact CZ-CD2 3.91Å; F3-F54 HydrophobicContact CZ-CD2 3.91Å; F3-F54 HydrophobicContact CZ-CE2 4.11Å; F3-F54 HydrophobicContact CZ-CG 4.21Å; L50-F54 VanDerWaalsContact O-CB 3.29Å; L50-F54 WeakPolarHBondContact O-CB 3.46Å; L50-F54 PolarHBondContact O-N 3.28Å; P51-F54 PolarHBondContact O-N 3.22Å; I52-F54 VanDerWaalsContact C-N 3.26Å; I52-F54 PolarHBondContact O-N 3.41Å; F54-N56 VanDerWaalsContact C-N 3.26Å; F54-N56 PolarHBondContact O-N 3.04Å; F54-I57 PolarHBondContact O-N 3.4Å; F54-F58 VanDerWaalsContact O-CB 3.27Å; F54-F58 WeakPolarHBondContact O-CB 3.42Å; F54-F58 PolarHBondContact O-N 2.79Å
55S73.2Confident74.8Confident69 Ų6993.2 Ų93.248%0.48347%0.47SS..Hα-helixtrans-54.7-48.2171.2-174.90000109.5P51 I52 F58 T59P51-S55 WeakPolarHBondContact O-CB 3.45Å; P51-S55 PolarHBondContact O-N 2.97Å; I52-S55 PolarHBondContact O-N 2.91Å; S55-F58 PolarHBondContact O-N 3.49Å; S55-T59 PolarHBondContact O-N 3.33Å; S55-T59 PolarHBondContact O-OG1 3.38Å
56N76.9Confident75Confident97 Ų9790.7 Ų90.752%0.51946%0.461SS..Hα-helixtrans-59.8-49.7178.6-68.8-7.3000112.1I52 K53 F54 F58 T59 E60I52-N56 VanDerWaalsContact O-CG 3.24Å; I52-N56 PolarHBondContact O-N 3.42Å; I52-N56 PolarHBondContact O-OD1 2.96Å; K53-N56 PolarHBondContact O-N 2.8Å; F54-N56 VanDerWaalsContact C-N 3.26Å; F54-N56 PolarHBondContact O-N 3.04Å; N56-F58 VanDerWaalsContact C-N 3.33Å; N56-F58 PolarHBondContact O-N 3.32Å; N56-T59 WeakPolarHBondContact CA-OG1 3.35Å; N56-T59 PolarHBondContact O-N 3.37Å; N56-T59 PolarHBondContact O-OG1 3.29Å; N56-E60 WeakPolarHBondContact O-CB 3.24Å; N56-E60 PolarHBondContact O-N 2.88Å
57I73.1Confident75.2Confident86 Ų8692.2 Ų92.244%0.44147%0.473SS..Hα-helixtrans-61.2-41.6177.5-68.2165.6000111.3K53 F54 E60 L61K53-I57 VanDerWaalsContact O-CG1 3.31Å; K53-I57 WeakPolarHBondContact O-CG1 3.29Å; K53-I57 PolarHBondContact O-N 2.94Å; F54-I57 PolarHBondContact O-N 3.4Å; I57-E60 PolarHBondContact O-N 2.88Å; I57-L61 HydrophobicContact CG2-CD1 3.91Å; I57-L61 HydrophobicContact CG2-CG 4.41Å; I57-L61 WeakPolarHBondContact O-CB 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.39Å; I57-L61 PolarHBondContact O-N 3.23Å
58F74.9Confident75.6Confident126 Ų12692 Ų9255%0.55348%0.478SS*.Hα-helixtrans-65.3-45.7178.6-178.8-95000111.4F54 S55 N56 E60 L61 F62F54-F58 VanDerWaalsContact O-CB 3.27Å; F54-F58 WeakPolarHBondContact O-CB 3.42Å; F54-F58 PolarHBondContact O-N 2.79Å; S55-F58 PolarHBondContact O-N 3.49Å; N56-F58 VanDerWaalsContact C-N 3.33Å; N56-F58 PolarHBondContact O-N 3.32Å; F58-E60 VanDerWaalsContact C-N 3.28Å; F58-E60 PolarHBondContact O-N 3.42Å; F58-L61 PolarHBondContact O-N 2.96Å; F58-F62 WeakPolarHBondContact O-CB 3.35Å; F58-F62 PolarHBondContact O-N 3.35Å
59T72.6Confident75.8Confident71 Ų7191.7 Ų91.744%0.43648%0.476SS..Hα-helixtrans-60.2-39.6172.426.60000111.8S55 N56 F62 C63S55-T59 PolarHBondContact O-N 3.33Å; S55-T59 PolarHBondContact O-OG1 3.38Å; N56-T59 WeakPolarHBondContact CA-OG1 3.35Å; N56-T59 PolarHBondContact O-N 3.37Å; N56-T59 PolarHBondContact O-OG1 3.29Å; T59-F62 PolarHBondContact O-N 3.34Å; T59-C63 VanDerWaalsContact O-CB 3.27Å; T59-C63 WeakPolarHBondContact O-CB 3.4Å; T59-C63 PolarHBondContact O-N 2.99Å; T59-C63 PolarHBondContact O-SG 3.29Å
60E72.6Confident75.9Confident120 Ų12096.9 Ų96.956%0.56150%0.497SS*.Hα-helixtrans-66.9-46.5-180-166.5174.6-177.500111.8N56 I57 F58 F62 C63 Q64N56-E60 WeakPolarHBondContact O-CB 3.24Å; N56-E60 PolarHBondContact O-N 2.88Å; I57-E60 PolarHBondContact O-N 2.88Å; F58-E60 VanDerWaalsContact C-N 3.28Å; F58-E60 PolarHBondContact O-N 3.42Å; E60-F62 PolarHBondContact O-N 3.03Å; E60-C63 PolarHBondContact O-N 3.28Å; E60-Q64 WeakPolarHBondContact O-CB 3.24Å; E60-Q64 WeakPolarHBondContact O-CG 3.07Å; E60-Q64 PolarHBondContact O-N 3.07Å
61L75.4Confident76.1Confident101 Ų10197 Ų9753%0.52951%0.506SS..Hα-helixtrans-62.1-42.2174.4-76.7169.8000111.9I57 F58 Q64 E65I57-L61 HydrophobicContact CG2-CD1 3.91Å; I57-L61 HydrophobicContact CG2-CG 4.41Å; I57-L61 WeakPolarHBondContact O-CB 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.39Å; I57-L61 PolarHBondContact O-N 3.23Å; F58-L61 PolarHBondContact O-N 2.96Å; L61-Q64 PolarHBondContact O-N 3.3Å; L61-E65 WeakPolarHBondContact O-CB 3.42Å; L61-E65 PolarHBondContact O-N 3.1Å
62F78.8Confident76.4Confident103 Ų10398.8 Ų98.845%0.45251%0.51SS..Hα-helixtrans-64.3-44.7177.1-175.6-96.6000111.6F58 T59 E60 Q64 E65 M66F58-F62 WeakPolarHBondContact O-CB 3.35Å; F58-F62 PolarHBondContact O-N 3.35Å; T59-F62 PolarHBondContact O-N 3.34Å; E60-F62 PolarHBondContact O-N 3.03Å; F62-Q64 VanDerWaalsContact C-N 3.33Å; F62-Q64 PolarHBondContact O-N 3.01Å; F62-E65 PolarHBondContact O-N 3.39Å; F62-M66 HydrophobicContact CD1-CG 4.15Å; F62-M66 HydrophobicContact CE1-CG 3.77Å; F62-M66 HydrophobicContact CE1-SD 4.35Å; F62-M66 HydrophobicContact CE2-CE 4.37Å; F62-M66 HydrophobicContact CZ-CE 4.27Å; F62-M66 HydrophobicContact CZ-CG 4.05Å; F62-M66 HydrophobicContact CZ-SD 4.13Å; F62-M66 WeakPolarHBondContact O-CG 3.44Å; F62-M66 PolarHBondContact O-N 3.39Å
63C74.1Confident76.6Confident70 Ų70100.5 Ų100.547%0.47352%0.515SS..Hα-helixtrans-60.7-42174.3-74.40000111.7T59 E60 M66 L67T59-C63 VanDerWaalsContact O-CB 3.27Å; T59-C63 WeakPolarHBondContact O-CB 3.4Å; T59-C63 PolarHBondContact O-N 2.99Å; T59-C63 PolarHBondContact O-SG 3.29Å; E60-C63 PolarHBondContact O-N 3.28Å; C63-M66 PolarHBondContact O-N 3.44Å; C63-L67 WeakPolarHBondContact O-CB 3.15Å; C63-L67 VanDerWaalsContact O-CG 3.26Å; C63-L67 WeakPolarHBondContact O-CG 3.34Å; C63-L67 PolarHBondContact O-N 3.42Å
64Q74.1Confident76.9Confident98 Ų9898.8 Ų98.846%0.45851%0.512SS..Hα-helixtrans-62.8-42.8175.4-75.9177.5-0.400112E60 L61 F62 L67 C68E60-Q64 WeakPolarHBondContact O-CB 3.24Å; E60-Q64 WeakPolarHBondContact O-CG 3.07Å; E60-Q64 PolarHBondContact O-N 3.07Å; L61-Q64 PolarHBondContact O-N 3.3Å; F62-Q64 VanDerWaalsContact C-N 3.33Å; F62-Q64 PolarHBondContact O-N 3.01Å; Q64-L67 PolarHBondContact O-N 3.22Å; Q64-C68 WeakPolarHBondContact O-CB 3.39Å; Q64-C68 PolarHBondContact O-N 2.92Å; Q64-C68 PolarHBondContact O-SG 3.3Å; Q64-C68 VanDerWaalsContact O-SG 3.36Å
65E77.7Confident77.3Confident117 Ų11799.6 Ų99.655%0.54752%0.52SS..Hα-helixtrans-64.8-42.1178.2-170164-17900111.8L61 F62 C68 Q69L61-E65 WeakPolarHBondContact O-CB 3.42Å; L61-E65 PolarHBondContact O-N 3.1Å; F62-E65 PolarHBondContact O-N 3.39Å; E65-C68 PolarHBondContact O-N 3.45Å; E65-Q69 WeakPolarHBondContact O-CG 3.35Å; E65-Q69 PolarHBondContact O-N 2.82Å
66M78.2Confident77.8Confident76 Ų76102.3 Ų102.337%0.37453%0.525SS..Hα-helixtrans-60.5-45.9172.2-69.5-66.6100.100111.8F62 C63 C68 Q69 E70F62-M66 HydrophobicContact CD1-CG 4.15Å; F62-M66 HydrophobicContact CE1-CG 3.77Å; F62-M66 HydrophobicContact CE1-SD 4.35Å; F62-M66 HydrophobicContact CE2-CE 4.37Å; F62-M66 HydrophobicContact CZ-CE 4.27Å; F62-M66 HydrophobicContact CZ-CG 4.05Å; F62-M66 HydrophobicContact CZ-SD 4.13Å; F62-M66 WeakPolarHBondContact O-CG 3.44Å; F62-M66 PolarHBondContact O-N 3.39Å; C63-M66 PolarHBondContact O-N 3.44Å; M66-C68 VanDerWaalsContact C-N 3.34Å; M66-C68 PolarHBondContact O-N 3.39Å; M66-Q69 PolarHBondContact O-N 3.09Å; M66-E70 WeakPolarHBondContact O-CB 3.4Å; M66-E70 PolarHBondContact O-N 2.84Å
67L76.8Confident78.3Confident118 Ų118103.8 Ų103.862%0.61853%0.527SS*.Hα-helixtrans-62.5-39.2176.7-75.1170.2000112.3C63 Q64 E70 A71C63-L67 WeakPolarHBondContact O-CB 3.15Å; C63-L67 VanDerWaalsContact O-CG 3.26Å; C63-L67 WeakPolarHBondContact O-CG 3.34Å; C63-L67 PolarHBondContact O-N 3.42Å; Q64-L67 PolarHBondContact O-N 3.22Å; L67-E70 PolarHBondContact O-N 3.38Å; L67-A71 WeakPolarHBondContact O-CB 3.49Å; L67-A71 PolarHBondContact O-N 3.47Å
68C80.5Confident78.9Confident78 Ų78105.8 Ų105.853%0.52753%0.53SS..Hα-helixtrans-65.3-40.6175.9-76.50000112.1Q64 E65 M66 L72Q64-C68 WeakPolarHBondContact O-CB 3.39Å; Q64-C68 PolarHBondContact O-N 2.92Å; Q64-C68 PolarHBondContact O-SG 3.3Å; Q64-C68 VanDerWaalsContact O-SG 3.36Å; E65-C68 PolarHBondContact O-N 3.45Å; M66-C68 VanDerWaalsContact C-N 3.34Å; M66-C68 PolarHBondContact O-N 3.39Å; C68-L72 WeakPolarHBondContact O-CB 3.4Å; C68-L72 WeakPolarHBondContact O-CG 3.39Å; C68-L72 PolarHBondContact O-N 2.91Å
69Q78.6Confident79.5Confident105 Ų105102.9 Ų102.949%0.49152%0.522SS..Hα-helixtrans-64.7-44.2175.4-73-178.83.300111.6E65 M66 L72 H73E65-Q69 WeakPolarHBondContact O-CG 3.35Å; E65-Q69 PolarHBondContact O-N 2.82Å; M66-Q69 PolarHBondContact O-N 3.09Å; Q69-L72 PolarHBondContact O-N 3.32Å; Q69-H73 PolarHBondContact O-N 3.04Å
70E81Confident80.2Confident143 Ų143103.5 Ų103.567%0.66852%0.523SS*.Hα-helixtrans-66.5-40.2178.3-165.8129.9-159.300111.8M66 L67 L72 H73 L74M66-E70 WeakPolarHBondContact O-CB 3.4Å; M66-E70 PolarHBondContact O-N 2.84Å; L67-E70 PolarHBondContact O-N 3.38Å; E70-L72 PolarHBondContact O-N 3.43Å; E70-H73 PolarHBondContact O-N 3.5Å; E70-L74 WeakPolarHBondContact O-CB 3.08Å; E70-L74 PolarHBondContact O-N 3.27Å
71A78.4Confident80.9Confident59 Ų59102.6 Ų102.649%0.48852%0.519SS..Hα-helixtrans-62.4-41.4173.800000112.2L67 L74 N75L67-A71 WeakPolarHBondContact O-CB 3.49Å; L67-A71 PolarHBondContact O-N 3.47Å; A71-L74 PolarHBondContact O-N 3.25Å; A71-N75 VanDerWaalsContact O-CB 3.29Å; A71-N75 WeakPolarHBondContact O-CB 3.31Å; A71-N75 PolarHBondContact O-N 2.86Å
72L81.5Confident81.4Confident122 Ų122101.1 Ų101.164%0.63951%0.514SS*.Hα-helixtrans-61.7-47.3174.6-85.8162000111.6C68 Q69 E70 L74 N75 E76C68-L72 WeakPolarHBondContact O-CB 3.4Å; C68-L72 WeakPolarHBondContact O-CG 3.39Å; C68-L72 PolarHBondContact O-N 2.91Å; Q69-L72 PolarHBondContact O-N 3.32Å; E70-L72 PolarHBondContact O-N 3.43Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.47Å; L72-N75 PolarHBondContact O-N 2.87Å; L72-E76 PolarHBondContact O-N 2.74Å
73H79.3Confident81.8Confident142 Ų142100.7 Ų100.766%0.65752%0.515SS*.Hα-helixtrans-63.7-39179.6-163-73.6000111.9Q69 E70 K77Q69-H73 PolarHBondContact O-N 3.04Å; E70-H73 PolarHBondContact O-N 3.5Å; H73-K77 PolarHBondContact O-N 2.99Å; H73-K77 VanDerWaalsContact O-N 3.11Å
74L82.5Confident82.5Confident88 Ų88101.5 Ų101.546%0.46151%0.514SS..Hα-helixtrans-66.7-40.6175.5-162.578000111.5E70 A71 L72 K77 Y78E70-L74 WeakPolarHBondContact O-CB 3.08Å; E70-L74 PolarHBondContact O-N 3.27Å; A71-L74 PolarHBondContact O-N 3.25Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.47Å; L74-K77 WeakPolarHBondContact O-CB 3.49Å; L74-K77 PolarHBondContact O-N 3.13Å; L74-Y78 HydrophobicContact CD1-CE2 4.16Å; L74-Y78 HydrophobicContact CD2-CD2 4.5Å; L74-Y78 HydrophobicContact CD2-CE2 3.73Å; L74-Y78 HydrophobicContact CG-CD2 4.03Å; L74-Y78 HydrophobicContact CG-CE2 3.53Å; L74-Y78 WeakPolarHBondContact O-CD2 3.22Å; L74-Y78 PolarHBondContact O-N 2.87Å
75N82.5Confident83.1Confident103 Ų103100.9 Ų100.955%0.55151%0.513SS*.Hα-helixtrans-66.6-42.5178.9-152.17000111.4A71 L72 K77 Y78 V79A71-N75 VanDerWaalsContact O-CB 3.29Å; A71-N75 WeakPolarHBondContact O-CB 3.31Å; A71-N75 PolarHBondContact O-N 2.86Å; L72-N75 PolarHBondContact O-N 2.87Å; N75-K77 VanDerWaalsContact C-N 3.32Å; N75-K77 PolarHBondContact O-N 3.34Å; N75-Y78 PolarHBondContact O-N 3.49Å; N75-V79 WeakPolarHBondContact O-CG2 3.49Å; N75-V79 PolarHBondContact O-N 3.29Å
76E85.3Confident83.5Confident126 Ų126101.9 Ų101.959%0.58952%0.516SS*.Hα-helixtrans-61.3-40.4174.7-170.1175.2-175.600111.9L72 V79 N80L72-E76 PolarHBondContact O-N 2.74Å; E76-V79 PolarHBondContact O-N 2.95Å; E76-N80 WeakPolarHBondContact O-CB 3.32Å; E76-N80 PolarHBondContact O-N 3.03Å; E76-N80 PolarHBondContact O-ND2 3.41Å
77K86.9Confident83.9Confident128 Ų128105.6 Ų105.656%0.55753%0.525SS*.Hα-helixtrans-58.7-49.1173.4-175.2-175.3175.9-173.60111.7H73 L74 N75 N80 E81H73-K77 PolarHBondContact O-N 2.99Å; H73-K77 VanDerWaalsContact O-N 3.11Å; L74-K77 WeakPolarHBondContact O-CB 3.49Å; L74-K77 PolarHBondContact O-N 3.13Å; N75-K77 VanDerWaalsContact C-N 3.32Å; N75-K77 PolarHBondContact O-N 3.34Å; K77-N80 PolarHBondContact O-N 2.89Å; K77-E81 WeakPolarHBondContact O-CB 3.43Å; K77-E81 PolarHBondContact O-N 2.8Å
78Y85.2Confident84.4Confident128 Ų128108.4 Ų108.450%0.50253%0.528SS..Hα-helixtrans-67.5-35.7179.9-73.1-55.8000113.3L74 N75 E81 T82L74-Y78 HydrophobicContact CD1-CE2 4.16Å; L74-Y78 HydrophobicContact CD2-CD2 4.5Å; L74-Y78 HydrophobicContact CD2-CE2 3.73Å; L74-Y78 HydrophobicContact CG-CD2 4.03Å; L74-Y78 HydrophobicContact CG-CE2 3.53Å; L74-Y78 WeakPolarHBondContact O-CD2 3.22Å; L74-Y78 PolarHBondContact O-N 2.87Å; N75-Y78 PolarHBondContact O-N 3.49Å; Y78-E81 PolarHBondContact O-N 3.18Å; Y78-T82 WeakPolarHBondContact O-CB 3.34Å; Y78-T82 WeakPolarHBondContact O-CG2 3.23Å; Y78-T82 PolarHBondContact O-N 3.22Å; Y78-T82 PolarHBondContact O-OG1 2.85Å
79V88.1Confident84.6Confident65 Ų65109.2 Ų109.239%0.39453%0.525SS..Hα-helixtrans-64.2-42.2173.7171.20000110.9N75 E76 T82 M83N75-V79 WeakPolarHBondContact O-CG2 3.49Å; N75-V79 PolarHBondContact O-N 3.29Å; E76-V79 PolarHBondContact O-N 2.95Å; V79-T82 WeakPolarHBondContact CA-OG1 3.49Å; V79-T82 PolarHBondContact O-OG1 3.31Å; V79-M83 HydrophobicContact CG1-CE 4.25Å; V79-M83 WeakPolarHBondContact O-CB 3.33Å; V79-M83 PolarHBondContact O-N 2.99Å
80N86.5Confident84.9Confident84 Ų84110.5 Ų110.545%0.44953%0.529SS..Hα-helixtrans-65.8-40176.3-78.6-33.1000112.2E76 K77 M83 N84E76-N80 WeakPolarHBondContact O-CB 3.32Å; E76-N80 PolarHBondContact O-N 3.03Å; E76-N80 PolarHBondContact O-ND2 3.41Å; K77-N80 PolarHBondContact O-N 2.89Å; N80-M83 PolarHBondContact O-N 3.44Å; N80-N84 PolarHBondContact O-N 3.41Å; N80-N84 PolarHBondContact O-ND2 3.15Å
81E88.3Confident85.1Confident101 Ų101107.4 Ų107.447%0.47252%0.52SS..Hα-helixtrans-66.4-44.7178-163.8162.9-156.900111.7K77 Y78 N84 I85K77-E81 WeakPolarHBondContact O-CB 3.43Å; K77-E81 PolarHBondContact O-N 2.8Å; Y78-E81 PolarHBondContact O-N 3.18Å; E81-N84 PolarHBondContact O-N 2.84Å; E81-I85 WeakPolarHBondContact O-CG1 3.34Å; E81-I85 PolarHBondContact O-N 2.93Å
82T84.5Confident85.1Confident69 Ų69108.8 Ų108.842%0.42352%0.518SS..Hα-helixtrans-63.1-42.1174.4480000112.1Y78 V79 N84 I85 F86Y78-T82 WeakPolarHBondContact O-CB 3.34Å; Y78-T82 WeakPolarHBondContact O-CG2 3.23Å; Y78-T82 PolarHBondContact O-N 3.22Å; Y78-T82 PolarHBondContact O-OG1 2.85Å; V79-T82 WeakPolarHBondContact CA-OG1 3.49Å; V79-T82 PolarHBondContact O-OG1 3.31Å; T82-N84 VanDerWaalsContact C-N 3.31Å; T82-N84 PolarHBondContact O-N 3.3Å; T82-I85 WeakPolarHBondContact O-CB 3.44Å; T82-I85 PolarHBondContact O-N 2.7Å; T82-F86 WeakPolarHBondContact O-CD2 3.3Å; T82-F86 PolarHBondContact O-N 3.49Å
83M88.7Confident85.1Confident95 Ų95106.6 Ų106.647%0.46851%0.51SS..Hα-helixtrans-59.4-40.8173-82.4-162.6-166.200112.7V79 N80 I85 F86 R87V79-M83 HydrophobicContact CG1-CE 4.25Å; V79-M83 WeakPolarHBondContact O-CB 3.33Å; V79-M83 PolarHBondContact O-N 2.99Å; N80-M83 PolarHBondContact O-N 3.44Å; M83-I85 VanDerWaalsContact C-N 3.34Å; M83-F86 PolarHBondContact O-N 3.25Å; M83-R87 WeakPolarHBondContact O-CG 3.45Å; M83-R87 PolarHBondContact O-N 3.47Å
84N87.3Confident85.2Confident86 Ų86104.7 Ų104.746%0.4650%0.501SS..Hα-helixtrans-64.8-39.3176.5-76.2-21.1000111.8N80 E81 T82 R87 R88N80-N84 PolarHBondContact O-N 3.41Å; N80-N84 PolarHBondContact O-ND2 3.15Å; E81-N84 PolarHBondContact O-N 2.84Å; T82-N84 VanDerWaalsContact C-N 3.31Å; T82-N84 PolarHBondContact O-N 3.3Å; N84-R87 PolarHBondContact O-N 2.93Å; N84-R87 PolarHBondContact OD1-NH1 3.43Å; N84-R87 VanDerWaalsContact OD1-NH1 3.1Å; N84-R88 WeakPolarHBondContact O-CG 3.21Å; N84-R88 PolarHBondContact O-N 3.49Å
85I86.9Confident85.2Confident85 Ų85104.6 Ų104.644%0.43651%0.505SS..Hα-helixtrans-62.1-44.9173.3-66.6166.6000110.7E81 T82 M83 R87 R88 M89E81-I85 WeakPolarHBondContact O-CG1 3.34Å; E81-I85 PolarHBondContact O-N 2.93Å; T82-I85 WeakPolarHBondContact O-CB 3.44Å; T82-I85 PolarHBondContact O-N 2.7Å; M83-I85 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.41Å; I85-R88 PolarHBondContact O-N 3.06Å; I85-M89 HydrophobicContact CG2-CE 3.81Å; I85-M89 PolarHBondContact O-N 2.89Å
86F87.1Confident84.9Confident139 Ų139104.4 Ų104.461%0.6150%0.504SS*.Hα-helixtrans-61.6-40.9176.6-82.1-68.6000113T82 M83 R88 M89 K90T82-F86 WeakPolarHBondContact O-CD2 3.3Å; T82-F86 PolarHBondContact O-N 3.49Å; M83-F86 PolarHBondContact O-N 3.25Å; F86-R88 VanDerWaalsContact C-N 3.34Å; F86-R88 PolarHBondContact O-N 2.84Å; F86-M89 HydrophobicContact CD1-CE 3.72Å; F86-M89 HydrophobicContact CE1-CE 3.89Å; F86-M89 HydrophobicContact CG-CE 4.31Å; F86-M89 PolarHBondContact O-N 3.45Å; F86-K90 WeakPolarHBondContact O-CB 3.37Å; F86-K90 PolarHBondContact O-N 2.72Å
87R86.9Confident84.7Confident153 Ų153104.8 Ų104.858%0.57751%0.505SS*.Hα-helixtrans-62.5-40.2173.8-71.4-179.2-170.7130.3-0.2112.1M83 N84 I85 K90 T91M83-R87 WeakPolarHBondContact O-CG 3.45Å; M83-R87 PolarHBondContact O-N 3.47Å; N84-R87 PolarHBondContact O-N 2.93Å; N84-R87 PolarHBondContact OD1-NH1 3.43Å; N84-R87 VanDerWaalsContact OD1-NH1 3.1Å; I85-R87 PolarHBondContact O-N 3.41Å; R87-K90 PolarHBondContact O-N 2.9Å; R87-T91 PolarHBondContact O-N 3.19Å; R87-T91 VanDerWaalsContact O-N 3.08Å; R87-T91 PolarHBondContact O-OG1 2.98Å
88R86.7Confident84.3Confident178 Ų178101.3 Ų101.367%0.67250%0.501SS*.Hα-helixtrans-66-42.3175.3-74176.465.9178.50.2112.1N84 I85 F86 K90 T91 I92N84-R88 WeakPolarHBondContact O-CG 3.21Å; N84-R88 PolarHBondContact O-N 3.49Å; I85-R88 PolarHBondContact O-N 3.06Å; F86-R88 VanDerWaalsContact C-N 3.34Å; F86-R88 PolarHBondContact O-N 2.84Å; R88-K90 PolarHBondContact O-N 3.4Å; R88-T91 WeakPolarHBondContact CA-OG1 3.21Å; R88-T91 PolarHBondContact O-N 3.28Å; R88-T91 PolarHBondContact O-OG1 2.92Å; R88-I92 WeakPolarHBondContact O-CD1 3.19Å; R88-I92 VanDerWaalsContact O-CG1 3.25Å; R88-I92 WeakPolarHBondContact O-CG1 3.3Å; R88-I92 PolarHBondContact O-N 3.27Å
89M83.9Confident83.9Confident94 Ų94103 Ų10346%0.46351%0.507SS..Hα-helixtrans-62.3-43.8175.1-79-166.1-80.900111.7I85 F86 T91 I92 T93I85-M89 HydrophobicContact CG2-CE 3.81Å; I85-M89 PolarHBondContact O-N 2.89Å; F86-M89 HydrophobicContact CD1-CE 3.72Å; F86-M89 HydrophobicContact CE1-CE 3.89Å; F86-M89 HydrophobicContact CG-CE 4.31Å; F86-M89 PolarHBondContact O-N 3.45Å; M89-T91 PolarHBondContact O-N 3.49Å; M89-I92 PolarHBondContact O-N 3.36Å; M89-T93 PolarHBondContact O-N 2.85Å; M89-T93 PolarHBondContact O-OG1 3.46Å; M89-T93 VanDerWaalsContact O-OG1 3.13Å
90K86.2Confident83.3Confident133 Ų133102 Ų10258%0.57851%0.506SS*.Hα-helixtrans-59.9-44.9178-174.1177.4177-1780112.3F86 R87 R88 T93 E94F86-K90 WeakPolarHBondContact O-CB 3.37Å; F86-K90 PolarHBondContact O-N 2.72Å; R87-K90 PolarHBondContact O-N 2.9Å; R88-K90 PolarHBondContact O-N 3.4Å; K90-T93 WeakPolarHBondContact CA-OG1 3.27Å; K90-T93 PolarHBondContact O-N 3.37Å; K90-T93 PolarHBondContact O-OG1 3.11Å; K90-E94 WeakPolarHBondContact CE-OE1 3.47Å; K90-E94 WeakPolarHBondContact O-CG 3.48Å; K90-E94 PolarHBondContact O-N 2.85Å; K90-E94 VanDerWaalsContact O-N 3.09Å
91T83.3Confident83.1Confident77 Ų77103.8 Ų103.847%0.47251%0.514SS..Hα-helixtrans-64.2-40.2176.240.60000111.9R87 R88 M89 E94 T95R87-T91 PolarHBondContact O-N 3.19Å; R87-T91 VanDerWaalsContact O-N 3.08Å; R87-T91 PolarHBondContact O-OG1 2.98Å; R88-T91 WeakPolarHBondContact CA-OG1 3.21Å; R88-T91 PolarHBondContact O-N 3.28Å; R88-T91 PolarHBondContact O-OG1 2.92Å; M89-T91 PolarHBondContact O-N 3.49Å; T91-E94 PolarHBondContact O-N 2.93Å; T91-T95 WeakPolarHBondContact O-CG2 3.26Å; T91-T95 PolarHBondContact O-N 3.4Å; T91-T95 PolarHBondContact O-OG1 3.16Å
92I80Confident82.4Confident89 Ų89108 Ų10846%0.45653%0.526SS..Hα-helixtrans-61.2-45.2174.6-68.7164.6000111.3R88 M89 E94 T95 N96R88-I92 WeakPolarHBondContact O-CD1 3.19Å; R88-I92 VanDerWaalsContact O-CG1 3.25Å; R88-I92 WeakPolarHBondContact O-CG1 3.3Å; R88-I92 PolarHBondContact O-N 3.27Å; M89-I92 PolarHBondContact O-N 3.36Å; I92-E94 PolarHBondContact O-N 3.4Å; I92-T95 WeakPolarHBondContact CA-OG1 3.48Å; I92-T95 PolarHBondContact O-N 3.19Å; I92-T95 PolarHBondContact O-OG1 3.15Å; I92-N96 WeakPolarHBondContact O-CB 3.27Å; I92-N96 PolarHBondContact O-N 3.04Å
93T80.8Confident81.8Confident76 Ų76110.4 Ų110.447%0.46653%0.532SS..Hα-helixtrans-61.4-43.5178.4420000112.6M89 K90 T95 N96 E97M89-T93 PolarHBondContact O-N 2.85Å; M89-T93 PolarHBondContact O-OG1 3.46Å; M89-T93 VanDerWaalsContact O-OG1 3.13Å; K90-T93 WeakPolarHBondContact CA-OG1 3.27Å; K90-T93 PolarHBondContact O-N 3.37Å; K90-T93 PolarHBondContact O-OG1 3.11Å; T93-T95 VanDerWaalsContact C-N 3.35Å; T93-T95 PolarHBondContact O-N 2.95Å; T93-N96 PolarHBondContact O-N 3.45Å; T93-E97 PolarHBondContact O-N 3.46Å
94E81.9Confident81.4Confident101 Ų101112.7 Ų112.747%0.47254%0.54SS..Hα-helixtrans-63.1-40.7176.5-70.2168.7-17700111.4K90 T91 I92 A98K90-E94 WeakPolarHBondContact CE-OE1 3.47Å; K90-E94 WeakPolarHBondContact O-CG 3.48Å; K90-E94 PolarHBondContact O-N 2.85Å; K90-E94 VanDerWaalsContact O-N 3.09Å; T91-E94 PolarHBondContact O-N 2.93Å; I92-E94 PolarHBondContact O-N 3.4Å; E94-A98 WeakPolarHBondContact O-CB 3.46Å; E94-A98 PolarHBondContact O-N 2.96Å; E94-A98 VanDerWaalsContact O-N 3.08Å
95T81.7Confident80.9Confident86 Ų86111.3 Ų111.353%0.52854%0.54SS..Hα-helixtrans-67.3-35.5175.856.30000113.2T91 I92 T93 A98 Y99T91-T95 WeakPolarHBondContact O-CG2 3.26Å; T91-T95 PolarHBondContact O-N 3.4Å; T91-T95 PolarHBondContact O-OG1 3.16Å; I92-T95 WeakPolarHBondContact CA-OG1 3.48Å; I92-T95 PolarHBondContact O-N 3.19Å; I92-T95 PolarHBondContact O-OG1 3.15Å; T93-T95 VanDerWaalsContact C-N 3.35Å; T93-T95 PolarHBondContact O-N 2.95Å; T95-A98 PolarHBondContact O-N 3.35Å; T95-Y99 WeakPolarHBondContact O-CB 3.36Å; T95-Y99 PolarHBondContact O-N 2.83Å
96N77.1Confident80Confident99 Ų99113.3 Ų113.353%0.52955%0.549SS..Hα-helixtrans-68.6-40.4177.6-78.3-10.7000111.7I92 T93 Y99 A100I92-N96 WeakPolarHBondContact O-CB 3.27Å; I92-N96 PolarHBondContact O-N 3.04Å; T93-N96 PolarHBondContact O-N 3.45Å; N96-Y99 PolarHBondContact O-N 3.34Å; N96-A100 WeakPolarHBondContact O-CB 3.48Å; N96-A100 PolarHBondContact O-N 2.87Å
97E80.2Confident79.2Confident134 Ų134111.2 Ų111.263%0.62654%0.541SS*.Hα-helixtrans-63-44.9173.6-72.3179.1-179.900111.5T93 Y99 A100 I101T93-E97 PolarHBondContact O-N 3.46Å; E97-Y99 VanDerWaalsContact C-N 3.3Å; E97-Y99 PolarHBondContact O-N 2.88Å; E97-A100 PolarHBondContact O-N 2.87Å; E97-I101 WeakPolarHBondContact O-CG1 3.34Å; E97-I101 PolarHBondContact O-N 2.95Å
98A79.8Confident78.7Confident56 Ų56109.6 Ų109.646%0.46354%0.543SS..Hα-helixtrans-60.4-39.8175.200000112.1E94 T95 R102E94-A98 WeakPolarHBondContact O-CB 3.46Å; E94-A98 PolarHBondContact O-N 2.96Å; E94-A98 VanDerWaalsContact O-N 3.08Å; T95-A98 PolarHBondContact O-N 3.35Å; A98-R102 WeakPolarHBondContact O-CB 3.39Å; A98-R102 PolarHBondContact O-N 3.42Å; A98-R102 VanDerWaalsContact O-N 3.09Å
99Y76.4Confident78Confident163 Ų163107.6 Ų107.664%0.63954%0.539SS*.Hα-helixtrans-64.7-45.2175.6-172.7-93.5000111.9T95 N96 E97 I101 R102 Q103T95-Y99 WeakPolarHBondContact O-CB 3.36Å; T95-Y99 PolarHBondContact O-N 2.83Å; N96-Y99 PolarHBondContact O-N 3.34Å; E97-Y99 VanDerWaalsContact C-N 3.3Å; E97-Y99 PolarHBondContact O-N 2.88Å; Y99-I101 VanDerWaalsContact C-N 3.34Å; Y99-I101 PolarHBondContact O-N 3.28Å; Y99-R102 WeakPolarHBondContact O-CB 3.45Å; Y99-R102 PolarHBondContact O-N 3.28Å; Y99-R102 VanDerWaalsContact O-N 3.11Å; Y99-Q103 WeakPolarHBondContact O-CB 3.38Å; Y99-Q103 PolarHBondContact O-N 3.21Å
100A75Confident77.2Confident45 Ų45108.2 Ų108.237%0.37254%0.544SS..Hα-helixtrans-61.6-39.6178.400000112.6N96 E97 K104N96-A100 WeakPolarHBondContact O-CB 3.48Å; N96-A100 PolarHBondContact O-N 2.87Å; E97-A100 PolarHBondContact O-N 2.87Å; A100-K104 WeakPolarHBondContact O-CG 3.43Å; A100-K104 PolarHBondContact O-N 2.83Å; A100-K104 VanDerWaalsContact O-N 3.11Å
101I82Confident76.6Confident121 Ų121107.7 Ų107.762%0.62154%0.542SS*.Hα-helixtrans-62.9-44.4173.5-66.6165.9000110.4E97 Y99 K104 A105E97-I101 WeakPolarHBondContact O-CG1 3.34Å; E97-I101 PolarHBondContact O-N 2.95Å; Y99-I101 VanDerWaalsContact C-N 3.34Å; Y99-I101 PolarHBondContact O-N 3.28Å; I101-K104 PolarHBondContact O-N 2.85Å; I101-A105 PolarHBondContact O-N 3.5Å
102R73.7Confident76Confident189 Ų189106.4 Ų106.471%0.71354%0.536SS*.Hα-helixtrans-65.6-39.2-179.8-153175.6-154.3153.34112.2A98 Y99 A105 M106A98-R102 WeakPolarHBondContact O-CB 3.39Å; A98-R102 PolarHBondContact O-N 3.42Å; A98-R102 VanDerWaalsContact O-N 3.09Å; Y99-R102 WeakPolarHBondContact O-CB 3.45Å; Y99-R102 PolarHBondContact O-N 3.28Å; Y99-R102 VanDerWaalsContact O-N 3.11Å; R102-A105 PolarHBondContact O-N 3.23Å; R102-M106 WeakPolarHBondContact O-CB 3.33Å; R102-M106 PolarHBondContact O-N 3.01Å
103Q72.2Confident75.4Confident119 Ų119108 Ų10856%0.55654%0.539SS*.Hα-helixtrans-62.1-47.4175.2-174.7177.50.800111.2Y99 A105 M106 E107Y99-Q103 WeakPolarHBondContact O-CB 3.38Å; Y99-Q103 PolarHBondContact O-N 3.21Å; Q103-A105 PolarHBondContact O-N 3.29Å; Q103-M106 PolarHBondContact O-N 3.15Å; Q103-E107 PolarHBondContact O-N 3.49Å
104K79.3Confident74.6Confident143 Ų143109.1 Ų109.162%0.62254%0.542SS*.Hα-helixtrans-61.7-42.9176-74.3-179.3178.51780112.5A100 I101 M106 E107 I108A100-K104 WeakPolarHBondContact O-CG 3.43Å; A100-K104 PolarHBondContact O-N 2.83Å; A100-K104 VanDerWaalsContact O-N 3.11Å; I101-K104 PolarHBondContact O-N 2.85Å; K104-M106 VanDerWaalsContact C-N 3.29Å; K104-M106 PolarHBondContact O-N 3.33Å; K104-E107 PolarHBondContact O-N 2.92Å; K104-I108 WeakPolarHBondContact O-CG1 3.35Å; K104-I108 PolarHBondContact O-N 3.44Å
105A76.7Confident73.8Confident57 Ų57107.3 Ų107.347%0.47154%0.541SS..Hα-helixtrans-61.9-38.3175.700000112.1I101 R102 Q103 K109I101-A105 PolarHBondContact O-N 3.5Å; R102-A105 PolarHBondContact O-N 3.23Å; Q103-A105 PolarHBondContact O-N 3.29Å; A105-K109 WeakPolarHBondContact O-CB 3.11Å; A105-K109 PolarHBondContact O-N 3.46Å; A105-K109 VanDerWaalsContact O-N 3.09Å
106M69.9Low72.9Confident128 Ų128108.3 Ų108.363%0.63154%0.539SS*.Hα-helixtrans-68.9-40.1176.3-163.9175.8-69.500111.9R102 Q103 K104 K109 L110R102-M106 WeakPolarHBondContact O-CB 3.33Å; R102-M106 PolarHBondContact O-N 3.01Å; Q103-M106 PolarHBondContact O-N 3.15Å; K104-M106 VanDerWaalsContact C-N 3.29Å; K104-M106 PolarHBondContact O-N 3.33Å; M106-K109 PolarHBondContact O-N 2.89Å; M106-L110 WeakPolarHBondContact O-CB 3.39Å; M106-L110 PolarHBondContact O-N 2.89Å
107E69.5Low72.2Confident94 Ų94107.7 Ų107.744%0.43954%0.539SS..Hα-helixtrans-62-43.2175.5-165.9-168.6153.700111.8Q103 K104 K109 L110 K111Q103-E107 PolarHBondContact O-N 3.49Å; K104-E107 PolarHBondContact O-N 2.92Å; E107-K109 PolarHBondContact O-N 3.21Å; E107-L110 PolarHBondContact O-N 3.44Å; E107-K111 WeakPolarHBondContact O-CG 3.19Å; E107-K111 PolarHBondContact O-N 3.23Å; E107-K111 VanDerWaalsContact OE1-CE 3.24Å; E107-K111 WeakPolarHBondContact OE1-CE 3.36Å; E107-K111 IonicContact OE1-NZ 3.98Å; E107-K111 PolarHBondContact OE1-NZ 3.08Å
108I75.8Confident71.2Confident120 Ų120104.3 Ų104.362%0.61553%0.53SS*.Hα-helixtrans-61-46.1175-67.3165.4000110.5K104 L110 K111 S112K104-I108 WeakPolarHBondContact O-CG1 3.35Å; K104-I108 PolarHBondContact O-N 3.44Å; I108-L110 VanDerWaalsContact C-N 3.29Å; I108-L110 PolarHBondContact O-N 3.41Å; I108-K111 PolarHBondContact O-N 3.25Å; I108-S112 PolarHBondContact O-N 3.16Å
109K72.1Confident70.2Confident136 Ų136106.6 Ų106.659%0.59153%0.532SS*.Hα-helixtrans-65-32.7177.8-168175.6-175.7176.10112.4A105 M106 E107 S112 K113A105-K109 WeakPolarHBondContact O-CB 3.11Å; A105-K109 PolarHBondContact O-N 3.46Å; A105-K109 VanDerWaalsContact O-N 3.09Å; M106-K109 PolarHBondContact O-N 2.89Å; E107-K109 PolarHBondContact O-N 3.21Å; K109-S112 PolarHBondContact O-OG 3.05Å; K109-K113 WeakPolarHBondContact O-CB 3.38Å; K109-K113 WeakPolarHBondContact O-CG 3.41Å; K109-K113 PolarHBondContact O-N 2.94Å; K109-K113 VanDerWaalsContact O-N 3.13Å
110L67Low69.5Low106 Ų106105.4 Ų105.456%0.55553%0.53SS*.Hα-helixtrans-71.1-45.5175.7-162.9106.9000110.7M106 E107 I108 S112 K113 L114M106-L110 WeakPolarHBondContact O-CB 3.39Å; M106-L110 PolarHBondContact O-N 2.89Å; E107-L110 PolarHBondContact O-N 3.44Å; I108-L110 VanDerWaalsContact C-N 3.29Å; I108-L110 PolarHBondContact O-N 3.41Å; L110-S112 PolarHBondContact O-N 3.2Å; L110-K113 PolarHBondContact O-N 2.63Å; L110-L114 HydrophobicContact CD2-CD1 3.75Å; L110-L114 HydrophobicContact CG-CD1 4.18Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 PolarHBondContact O-N 3.3Å
111K74Confident69Low123 Ų123109.7 Ų109.754%0.53554%0.543SS..Hα-helixtrans-60.4-42.4175.4-76.4179.7-176.21670112E107 I108 L114 S115E107-K111 WeakPolarHBondContact O-CG 3.19Å; E107-K111 PolarHBondContact O-N 3.23Å; E107-K111 VanDerWaalsContact OE1-CE 3.24Å; E107-K111 WeakPolarHBondContact OE1-CE 3.36Å; E107-K111 IonicContact OE1-NZ 3.98Å; E107-K111 PolarHBondContact OE1-NZ 3.08Å; I108-K111 PolarHBondContact O-N 3.25Å; K111-L114 PolarHBondContact O-N 2.94Å; K111-S115 PolarHBondContact O-N 3.36Å; K111-S115 PolarHBondContact O-OG 3.07Å
112S71.9Confident68.2Low50 Ų50110.3 Ų110.335%0.3554%0.538SS..Hα-helixtrans-63-45.4176780000111.4I108 K109 L110 L114 S115 E116I108-S112 PolarHBondContact O-N 3.16Å; K109-S112 PolarHBondContact O-OG 3.05Å; L110-S112 PolarHBondContact O-N 3.2Å; S112-L114 PolarHBondContact O-N 3.27Å; S112-S115 PolarHBondContact O-N 3.46Å; S112-S115 PolarHBondContact O-OG 3.31Å; S112-E116 PolarHBondContact O-N 3.16Å
113K66.6Low67.4Low121 Ų121106.7 Ų106.753%0.52653%0.528SS..Hα-helixtrans-63.7-38.9175.7-79.5-171171.8-166.60113.2K109 L110 S115 E116 V117K109-K113 WeakPolarHBondContact O-CB 3.38Å; K109-K113 WeakPolarHBondContact O-CG 3.41Å; K109-K113 PolarHBondContact O-N 2.94Å; K109-K113 VanDerWaalsContact O-N 3.13Å; L110-K113 PolarHBondContact O-N 2.63Å; K113-S115 VanDerWaalsContact C-N 3.33Å; K113-E116 PolarHBondContact O-N 3.45Å; K113-V117 WeakPolarHBondContact O-CG2 3.26Å; K113-V117 PolarHBondContact O-N 3.32Å
114L63.4Low66.8Low101 Ų101107.2 Ų107.253%0.52953%0.534SS..Hα-helixtrans-61.9-41.6174.5-94152.7000111.2L110 K111 S112 V117 S118L110-L114 HydrophobicContact CD2-CD1 3.75Å; L110-L114 HydrophobicContact CG-CD1 4.18Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 PolarHBondContact O-N 3.3Å; K111-L114 PolarHBondContact O-N 2.94Å; S112-L114 PolarHBondContact O-N 3.27Å; L114-V117 PolarHBondContact O-N 2.89Å; L114-S118 PolarHBondContact O-N 2.9Å; L114-S118 PolarHBondContact O-OG 2.9Å
115S65.5Low66.1Low63 Ų63104.6 Ų104.644%0.44153%0.526SS..Hα-helixtrans-66.9-35.3174.567.30000113.5K111 S112 K113 S118 M119K111-S115 PolarHBondContact O-N 3.36Å; K111-S115 PolarHBondContact O-OG 3.07Å; S112-S115 PolarHBondContact O-N 3.46Å; S112-S115 PolarHBondContact O-OG 3.31Å; K113-S115 VanDerWaalsContact C-N 3.33Å; S115-S118 WeakPolarHBondContact CA-OG 3.47Å; S115-S118 PolarHBondContact O-OG 3.49Å; S115-M119 WeakPolarHBondContact O-CB 3.46Å; S115-M119 VanDerWaalsContact O-CG 3.27Å; S115-M119 WeakPolarHBondContact O-CG 3.33Å; S115-M119 PolarHBondContact O-N 3.36Å
116E63.4Low65.4Low107 Ų107104.3 Ų104.350%0.552%0.516SS..Hα-helixtrans-67.3-39.7172.9-75.7178.8-165.900111.9S112 K113 K120S112-E116 PolarHBondContact O-N 3.16Å; K113-E116 PolarHBondContact O-N 3.45Å; E116-K120 WeakPolarHBondContact O-CB 3.34Å; E116-K120 VanDerWaalsContact O-CG 3.26Å; E116-K120 WeakPolarHBondContact O-CG 3.5Å; E116-K120 PolarHBondContact O-N 2.85Å
117V61Low64.7Low85 Ų85104.5 Ų104.552%0.51551%0.513SS..Hα-helixtrans-67.6-44.5178.2173.90000110.3K113 L114 M119 K120 E121K113-V117 WeakPolarHBondContact O-CG2 3.26Å; K113-V117 PolarHBondContact O-N 3.32Å; L114-V117 PolarHBondContact O-N 2.89Å; V117-M119 PolarHBondContact O-N 2.87Å; V117-K120 PolarHBondContact O-N 3.37Å; V117-E121 WeakPolarHBondContact O-CB 3.41Å; V117-E121 PolarHBondContact O-N 3.29Å
118S60.4Low64.3Low64 Ų64105.5 Ų105.545%0.44852%0.516SS..Hα-helixtrans-64.8-38.7177.565.60000112.2L114 S115 E121 Y122L114-S118 PolarHBondContact O-N 2.9Å; L114-S118 PolarHBondContact O-OG 2.9Å; S115-S118 WeakPolarHBondContact CA-OG 3.47Å; S115-S118 PolarHBondContact O-OG 3.49Å; S118-E121 PolarHBondContact O-N 3.01Å; S118-Y122 WeakPolarHBondContact O-CB 3.47Å; S118-Y122 PolarHBondContact O-N 3.19Å
119M58.4Low63.7Low103 Ų103104.7 Ų104.751%0.50751%0.51SS..Hα-helixtrans-63.3-44.1172.1-77.7-71.1-7900111.8S115 V117 E121 Y122 F123S115-M119 WeakPolarHBondContact O-CB 3.46Å; S115-M119 VanDerWaalsContact O-CG 3.27Å; S115-M119 WeakPolarHBondContact O-CG 3.33Å; S115-M119 PolarHBondContact O-N 3.36Å; V117-M119 PolarHBondContact O-N 2.87Å; M119-E121 VanDerWaalsContact C-N 3.33Å; M119-E121 PolarHBondContact O-N 3.05Å; M119-Y122 PolarHBondContact O-N 3.33Å; M119-F123 HydrophobicContact CE-CE2 3.83Å; M119-F123 HydrophobicContact CE-CZ 4.16Å; M119-F123 WeakPolarHBondContact O-CD2 3.24Å; M119-F123 PolarHBondContact O-N 3.3Å
120K62.2Low63.1Low139 Ų139105.6 Ų105.660%0.60451%0.51SS*.Hα-helixtrans-62.2-40.5175.8-77.9173.4-177.5174.30111.9E116 V117 F123 L124E116-K120 WeakPolarHBondContact O-CB 3.34Å; E116-K120 VanDerWaalsContact O-CG 3.26Å; E116-K120 WeakPolarHBondContact O-CG 3.5Å; E116-K120 PolarHBondContact O-N 2.85Å; V117-K120 PolarHBondContact O-N 3.37Å; K120-F123 PolarHBondContact O-N 3.11Å; K120-L124 VanDerWaalsContact O-CB 3.27Å; K120-L124 WeakPolarHBondContact O-CB 3.41Å; K120-L124 PolarHBondContact O-N 3.19Å
121E63.7Low62.6Low134 Ų134108 Ų10863%0.62651%0.513SS*.Hα-helixtrans-65-42.8176.6-171.1175.3-176.500111.5V117 S118 M119 L124 N125V117-E121 WeakPolarHBondContact O-CB 3.41Å; V117-E121 PolarHBondContact O-N 3.29Å; S118-E121 PolarHBondContact O-N 3.01Å; M119-E121 VanDerWaalsContact C-N 3.33Å; M119-E121 PolarHBondContact O-N 3.05Å; E121-L124 PolarHBondContact O-N 2.91Å; E121-N125 WeakPolarHBondContact O-CB 3.36Å; E121-N125 PolarHBondContact O-N 3.32Å
122Y65.2Low62.1Low134 Ų134104 Ų10453%0.52550%0.499SS..Hα-helixtrans-58.4-51.2172.8176.8-100.7000111.8S118 M119 L124 N125 E126S118-Y122 WeakPolarHBondContact O-CB 3.47Å; S118-Y122 PolarHBondContact O-N 3.19Å; M119-Y122 PolarHBondContact O-N 3.33Å; Y122-L124 VanDerWaalsContact C-N 3.32Å; Y122-L124 PolarHBondContact O-N 3.3Å; Y122-N125 PolarHBondContact O-N 2.77Å; Y122-E126 HydrophobicContact CE1-CG 4Å; Y122-E126 HydrophobicContact CE2-CG 4.19Å; Y122-E126 PolarHBondContact O-N 2.96Å; Y122-E126 PolarHBondContact OH-OE1 3.5Å
123F56.5Low61.9Low114 Ų114106.3 Ų106.350%0.551%0.507SS..Hα-helixtrans-61-39.7177.1-76.5-59.9000112.6M119 K120 N125 E126 F127M119-F123 HydrophobicContact CE-CE2 3.83Å; M119-F123 HydrophobicContact CE-CZ 4.16Å; M119-F123 WeakPolarHBondContact O-CD2 3.24Å; M119-F123 PolarHBondContact O-N 3.3Å; K120-F123 PolarHBondContact O-N 3.11Å; F123-N125 VanDerWaalsContact C-N 3.32Å; F123-E126 PolarHBondContact O-N 3.25Å; F123-F127 WeakPolarHBondContact O-CB 3.45Å; F123-F127 PolarHBondContact O-N 2.86Å
124L61Low61.5Low129 Ų129106.3 Ų106.368%0.67551%0.509SS*.Hα-helixtrans-65.8-37.7178.1-165.773.9000111.2K120 E121 Y122 K128K120-L124 VanDerWaalsContact O-CB 3.27Å; K120-L124 WeakPolarHBondContact O-CB 3.41Å; K120-L124 PolarHBondContact O-N 3.19Å; E121-L124 PolarHBondContact O-N 2.91Å; Y122-L124 VanDerWaalsContact C-N 3.32Å; Y122-L124 PolarHBondContact O-N 3.3Å; L124-K128 VanDerWaalsContact O-CB 3.28Å; L124-K128 WeakPolarHBondContact O-CB 3.41Å; L124-K128 PolarHBondContact O-N 2.89Å
125N64.7Low61.3Low88 Ų88105.9 Ų105.947%0.47150%0.501SS..Hα-helixtrans-71.4-40.7178.6-154.520.3000111.9E121 Y122 F123 K128 Q129E121-N125 WeakPolarHBondContact O-CB 3.36Å; E121-N125 PolarHBondContact O-N 3.32Å; Y122-N125 PolarHBondContact O-N 2.77Å; F123-N125 VanDerWaalsContact C-N 3.32Å; N125-K128 WeakPolarHBondContact O-CB 3.37Å; N125-K128 PolarHBondContact O-N 3.14Å; N125-Q129 WeakPolarHBondContact O-CG 3.5Å; N125-Q129 PolarHBondContact O-N 3.15Å
126E60.9Low61.5Low52 Ų52105.4 Ų105.424%0.24349%0.493CS..Hα-helixtrans-59-51.1169.8-78.9-70.8146.700110.8Y122 F123 K128 Q129 Y130Y122-E126 HydrophobicContact CE1-CG 4Å; Y122-E126 HydrophobicContact CE2-CG 4.19Å; Y122-E126 PolarHBondContact O-N 2.96Å; Y122-E126 PolarHBondContact OH-OE1 3.5Å; F123-E126 PolarHBondContact O-N 3.25Å; E126-K128 VanDerWaalsContact C-N 3.27Å; E126-K128 PolarHBondContact O-N 3.4Å; E126-Q129 WeakPolarHBondContact O-CB 3.46Å; E126-Q129 PolarHBondContact O-N 3.5Å; E126-Y130 HydrophobicContact CB-CE2 4.37Å; E126-Y130 WeakPolarHBondContact O-CD2 3.5Å; E126-Y130 PolarHBondContact O-N 3.41Å; E126-Y130 VanDerWaalsContact OE2-CE2 3.28Å; E126-Y130 WeakPolarHBondContact OE2-CE2 3.3Å
127F55.1Low61.6Low132 Ų132105.7 Ų105.758%0.57949%0.494SS*.Hα-helixtrans-56.3-41.6175.4-103.6-80.1000112.1F123 Y130 Y131F123-F127 WeakPolarHBondContact O-CB 3.45Å; F123-F127 PolarHBondContact O-N 2.86Å; F127-Y130 PolarHBondContact O-N 2.94Å; F127-Y131 HydrophobicContact CD1-CD2 4.31Å; F127-Y131 HydrophobicContact CD1-CE2 4.37Å; F127-Y131 WeakPolarHBondContact O-CB 3.25Å; F127-Y131 PolarHBondContact O-N 3.31Å
128K61.6Low61.4Low115 Ų115104.6 Ų104.650%0.549%0.491SS..Hα-helixtrans-61.8-42175.8-175-179.9179.1-179.80111.3L124 N125 E126 T132L124-K128 VanDerWaalsContact O-CB 3.28Å; L124-K128 WeakPolarHBondContact O-CB 3.41Å; L124-K128 PolarHBondContact O-N 2.89Å; N125-K128 WeakPolarHBondContact O-CB 3.37Å; N125-K128 PolarHBondContact O-N 3.14Å; E126-K128 VanDerWaalsContact C-N 3.27Å; E126-K128 PolarHBondContact O-N 3.4Å; K128-T132 VanDerWaalsContact O-CB 3.28Å; K128-T132 WeakPolarHBondContact O-CB 3.37Å; K128-T132 PolarHBondContact O-N 3.42Å; K128-T132 PolarHBondContact O-OG1 3.1Å
129Q63.3Low61.8Low103 Ų103106.1 Ų106.148%0.48149%0.489SS..Hα-helixtrans-65.4-47.1175.6-72.8-172.526.100111.9N125 E126 Y131 T132 N133N125-Q129 WeakPolarHBondContact O-CG 3.5Å; N125-Q129 PolarHBondContact O-N 3.15Å; E126-Q129 WeakPolarHBondContact O-CB 3.46Å; E126-Q129 PolarHBondContact O-N 3.5Å; Q129-Y131 PolarHBondContact O-N 2.67Å; Q129-T132 PolarHBondContact O-N 2.98Å; Q129-N133 WeakPolarHBondContact O-CB 3.36Å; Q129-N133 PolarHBondContact O-N 3.38Å
130Y58.6Low62.4Low154 Ų154105.5 Ų105.560%0.60449%0.488SS*.Hα-helixtrans-59.1-45.6176-76.5-68.8000112.1E126 F127 T132 N133 Q134E126-Y130 HydrophobicContact CB-CE2 4.37Å; E126-Y130 WeakPolarHBondContact O-CD2 3.5Å; E126-Y130 PolarHBondContact O-N 3.41Å; E126-Y130 VanDerWaalsContact OE2-CE2 3.28Å; E126-Y130 WeakPolarHBondContact OE2-CE2 3.3Å; F127-Y130 PolarHBondContact O-N 2.94Å; Y130-T132 PolarHBondContact O-N 3.26Å; Y130-N133 PolarHBondContact O-N 3.44Å; Y130-Q134 WeakPolarHBondContact O-CB 3.4Å; Y130-Q134 PolarHBondContact O-N 2.92Å
131Y57Low62.4Low158 Ų158105.6 Ų105.662%0.6248%0.484SS*.Hα-helixtrans-63.3-41.7176.3-105.1-79.5000112.3F127 Q129 Q134 R135F127-Y131 HydrophobicContact CD1-CD2 4.31Å; F127-Y131 HydrophobicContact CD1-CE2 4.37Å; F127-Y131 WeakPolarHBondContact O-CB 3.25Å; F127-Y131 PolarHBondContact O-N 3.31Å; Q129-Y131 PolarHBondContact O-N 2.67Å; Y131-Q134 PolarHBondContact O-N 3.49Å; Y131-R135 VanDerWaalsContact O-CB 3.27Å; Y131-R135 WeakPolarHBondContact O-CB 3.39Å; Y131-R135 PolarHBondContact O-N 2.9Å
132T62.9Low62.1Low37 Ų37100.9 Ų100.923%0.22746%0.463CS..Hα-helixtrans-64-44.4178-57.10000110.7K128 Q129 Y130 R135 N136 F468K128-T132 VanDerWaalsContact O-CB 3.28Å; K128-T132 WeakPolarHBondContact O-CB 3.37Å; K128-T132 PolarHBondContact O-N 3.42Å; K128-T132 PolarHBondContact O-OG1 3.1Å; Q129-T132 PolarHBondContact O-N 2.98Å; Y130-T132 PolarHBondContact O-N 3.26Å; T132-R135 PolarHBondContact O-N 3.48Å; T132-N136 WeakPolarHBondContact O-CB 3.37Å; T132-N136 VanDerWaalsContact O-CG 3.27Å; T132-N136 PolarHBondContact O-N 3.48Å; T132-F468 VanDerWaalsContact CG2-O 3.23Å; T132-F468 WeakPolarHBondContact CG2-O 3.22Å
133N68.3Low62.3Low100 Ų10096.9 Ų96.954%0.53545%0.451SS..Hα-helixtrans-63.9-44.5176.3-74.4-14.1000112Q129 Y130 R135 N136 H137Q129-N133 WeakPolarHBondContact O-CB 3.36Å; Q129-N133 PolarHBondContact O-N 3.38Å; Y130-N133 PolarHBondContact O-N 3.44Å; N133-R135 VanDerWaalsContact C-N 3.28Å; N133-R135 PolarHBondContact O-N 3.44Å; N133-N136 PolarHBondContact O-N 2.94Å; N133-H137 WeakPolarHBondContact O-CB 3.22Å; N133-H137 PolarHBondContact O-N 2.96Å
134Q58.6Low62.7Low121 Ų12196.1 Ų96.157%0.56545%0.451SS*.Hα-helixtrans-62.2-38.1176-173.1178.212.500111.6Y130 Y131 S138Y130-Q134 WeakPolarHBondContact O-CB 3.4Å; Y130-Q134 PolarHBondContact O-N 2.92Å; Y131-Q134 PolarHBondContact O-N 3.49Å; Q134-S138 VanDerWaalsContact O-CB 3.32Å; Q134-S138 WeakPolarHBondContact O-CB 3.49Å; Q134-S138 PolarHBondContact O-N 3.46Å; Q134-S138 PolarHBondContact O-OG 2.86Å
135R59.6Low62.4Low92 Ų9292.1 Ų92.135%0.34743%0.43SS..Hα-helixtrans-69.2-43177.2-168.4171.9-173.1-123-1112Y131 T132 N133 S138 K139 Q470Y131-R135 VanDerWaalsContact O-CB 3.27Å; Y131-R135 WeakPolarHBondContact O-CB 3.39Å; Y131-R135 PolarHBondContact O-N 2.9Å; T132-R135 PolarHBondContact O-N 3.48Å; N133-R135 VanDerWaalsContact C-N 3.28Å; N133-R135 PolarHBondContact O-N 3.44Å; R135-S138 PolarHBondContact O-N 3.22Å; R135-K139 WeakPolarHBondContact O-CB 3.49Å; R135-K139 PolarHBondContact O-N 3.37Å; R135-Q470 VanDerWaalsContact CZ-CG 3.5Å; R135-Q470 VanDerWaalsContact CZ-NE2 3.29Å; R135-Q470 VanDerWaalsContact NE-OE1 3.16Å; R135-Q470 VanDerWaalsContact NH1-CB 3.29Å
136N69.9Low62.1Low53 Ų5391.8 Ų91.828%0.28342%0.424SS..Hα-helixtrans-61.6-48174.2-71-14.8000110.5T132 N133 S138 K139 D140T132-N136 WeakPolarHBondContact O-CB 3.37Å; T132-N136 VanDerWaalsContact O-CG 3.27Å; T132-N136 PolarHBondContact O-N 3.48Å; N133-N136 PolarHBondContact O-N 2.94Å; N136-S138 VanDerWaalsContact C-N 3.31Å; N136-S138 PolarHBondContact O-N 2.95Å; N136-K139 CarbonylContact O-C 3.59Å; N136-K139 WeakPolarHBondContact O-CA 3.43Å; N136-K139 WeakPolarHBondContact O-CB 3.39Å; N136-K139 PolarHBondContact O-N 3.26Å; N136-D140 PolarHBondContact O-N 2.98Å
137H64.2Low62.3Low112 Ų11294.5 Ų94.552%0.51944%0.44SS..Hα-helixtrans-59.3-41175.4-174.669.2000112.7N133 K139 R141N133-H137 WeakPolarHBondContact O-CB 3.22Å; N133-H137 PolarHBondContact O-N 2.96Å; H137-K139 VanDerWaalsContact C-N 3.35Å; H137-R141 WeakPolarHBondContact NE2-CD 3.3Å; H137-R141 WeakPolarHBondContact O-CB 3.44Å; H137-R141 WeakPolarHBondContact O-CG 3.36Å; H137-R141 PolarHBondContact O-N 2.71Å
138S57.8Low62.2Low63 Ų6391.5 Ų91.544%0.44143%0.43SS..Hα-helixtrans-67.3-36.5176.1-58.70000111.9Q134 R135 N136 L142Q134-S138 VanDerWaalsContact O-CB 3.32Å; Q134-S138 WeakPolarHBondContact O-CB 3.49Å; Q134-S138 PolarHBondContact O-N 3.46Å; Q134-S138 PolarHBondContact O-OG 2.86Å; R135-S138 PolarHBondContact O-N 3.22Å; N136-S138 VanDerWaalsContact C-N 3.31Å; N136-S138 PolarHBondContact O-N 2.95Å; S138-L142 VanDerWaalsContact O-CB 3.29Å; S138-L142 WeakPolarHBondContact O-CB 3.39Å; S138-L142 PolarHBondContact O-N 3.32Å
139K67.8Low62.1Low96 Ų9688 Ų8842%0.41741%0.414SS..Hα-helixtrans-66.7-48.5175.1-175.6-175.5174-172.30110.9R135 N136 H137 R141 L142 D143R135-K139 WeakPolarHBondContact O-CB 3.49Å; R135-K139 PolarHBondContact O-N 3.37Å; N136-K139 CarbonylContact O-C 3.59Å; N136-K139 WeakPolarHBondContact O-CA 3.43Å; N136-K139 WeakPolarHBondContact O-CB 3.39Å; N136-K139 PolarHBondContact O-N 3.26Å; H137-K139 VanDerWaalsContact C-N 3.35Å; K139-R141 VanDerWaalsContact C-N 3.32Å; K139-R141 PolarHBondContact O-N 3.44Å; K139-L142 CarbonylContact O-C 3.6Å; K139-L142 WeakPolarHBondContact O-CA 3.49Å; K139-L142 WeakPolarHBondContact O-CB 3.46Å; K139-L142 PolarHBondContact O-N 2.84Å; K139-D143 PolarHBondContact O-N 3.45Å
140D70.7Confident61.9Low90 Ų9089.6 Ų89.648%0.48142%0.419SS..Hα-helixtrans-59.7-44.1177.8-63.7-19.5000110.7N136 L142 D143 I144N136-D140 PolarHBondContact O-N 2.98Å; D140-L142 VanDerWaalsContact C-N 3.32Å; D140-L142 PolarHBondContact O-N 3.29Å; D140-D143 PolarHBondContact O-N 2.85Å; D140-I144 WeakPolarHBondContact O-CB 3.5Å; D140-I144 VanDerWaalsContact O-CG1 3.23Å; D140-I144 WeakPolarHBondContact O-CG1 3.37Å; D140-I144 PolarHBondContact O-N 3.5Å
141R64.1Low61.6Low140 Ų14087.3 Ų87.353%0.52842%0.417SS..Hα-helixtrans-59.9-41.6172.9-78.7-176.562.2-178.6-1.4112.5H137 K139 M145H137-R141 WeakPolarHBondContact NE2-CD 3.3Å; H137-R141 WeakPolarHBondContact O-CB 3.44Å; H137-R141 WeakPolarHBondContact O-CG 3.36Å; H137-R141 PolarHBondContact O-N 2.71Å; K139-R141 VanDerWaalsContact C-N 3.32Å; K139-R141 PolarHBondContact O-N 3.44Å; R141-M145 VanDerWaalsContact O-CB 3.28Å; R141-M145 WeakPolarHBondContact O-CB 3.36Å; R141-M145 WeakPolarHBondContact O-CG 3.3Å; R141-M145 PolarHBondContact O-N 3.07Å
142L56.3Low61.4Low35 Ų3583.3 Ų83.318%0.18340%0.401CS..Hα-helixtrans-69.6-35.9179.8-160150.9000111S138 K139 D140 M145 K146S138-L142 VanDerWaalsContact O-CB 3.29Å; S138-L142 WeakPolarHBondContact O-CB 3.39Å; S138-L142 PolarHBondContact O-N 3.32Å; K139-L142 CarbonylContact O-C 3.6Å; K139-L142 WeakPolarHBondContact O-CA 3.49Å; K139-L142 WeakPolarHBondContact O-CB 3.46Å; K139-L142 PolarHBondContact O-N 2.84Å; D140-L142 VanDerWaalsContact C-N 3.32Å; D140-L142 PolarHBondContact O-N 3.29Å; L142-M145 PolarHBondContact O-N 3.36Å; L142-K146 HydrophobicContact CD2-CD 4Å; L142-K146 HydrophobicContact CD2-CG 4.16Å; L142-K146 WeakPolarHBondContact O-CB 3.43Å; L142-K146 VanDerWaalsContact O-CG 3.32Å; L142-K146 WeakPolarHBondContact O-CG 3.47Å; L142-K146 PolarHBondContact O-N 3.05Å
143D69.3Low61Low51 Ų5182 Ų8227%0.27339%0.392SS..Hα-helixtrans-73.6-38.4176.4-71.3-23.6000112.1K139 D140 K146 N147K139-D143 PolarHBondContact O-N 3.45Å; D140-D143 PolarHBondContact O-N 2.85Å; D143-K146 PolarHBondContact O-N 3.14Å; D143-K146 IonicContact OD1-NZ 3.88Å; D143-K146 PolarHBondContact OD1-NZ 3.05Å; D143-N147 WeakPolarHBondContact O-CB 3.4Å; D143-N147 PolarHBondContact O-N 3.32Å
144I65.7Low60.4Low98 Ų9881.1 Ų81.150%0.50339%0.387SS..Hα-helixtrans-58.9-48.9167.2-67.5163.7000109.7D140 K146 N147 D148D140-I144 WeakPolarHBondContact O-CB 3.5Å; D140-I144 VanDerWaalsContact O-CG1 3.23Å; D140-I144 WeakPolarHBondContact O-CG1 3.37Å; D140-I144 PolarHBondContact O-N 3.5Å; I144-K146 VanDerWaalsContact C-N 3.3Å; I144-K146 PolarHBondContact O-N 3.48Å; I144-N147 PolarHBondContact O-N 3.35Å; I144-N147 VanDerWaalsContact O-N 3.16Å; I144-D148 WeakPolarHBondContact O-CB 3.28Å; I144-D148 PolarHBondContact O-N 3.2Å
145M53.1Low59.8Low45 Ų4578.9 Ų78.922%0.22238%0.379CS..Hα-helixtrans-62-34.6177.9-79.1-179.3148.600113R141 L142 Y149 I524R141-M145 VanDerWaalsContact O-CB 3.28Å; R141-M145 WeakPolarHBondContact O-CB 3.36Å; R141-M145 WeakPolarHBondContact O-CG 3.3Å; R141-M145 PolarHBondContact O-N 3.07Å; L142-M145 PolarHBondContact O-N 3.36Å; M145-Y149 WeakPolarHBondContact O-CB 3.38Å; M145-Y149 PolarHBondContact O-N 2.87Å; M145-I524 HydrophobicContact CB-CD1 4.13Å; M145-I524 HydrophobicContact CB-CG2 4.35Å
146K60.3Low59.2Low81 Ų8175.1 Ų75.135%0.35237%0.366SS..Hα-helixtrans-68.1-42.9172.9-80.4172-176.7155.40112L142 D143 I144 Y149 K150 T520 I524L142-K146 HydrophobicContact CD2-CD 4Å; L142-K146 HydrophobicContact CD2-CG 4.16Å; L142-K146 WeakPolarHBondContact O-CB 3.43Å; L142-K146 VanDerWaalsContact O-CG 3.32Å; L142-K146 WeakPolarHBondContact O-CG 3.47Å; L142-K146 PolarHBondContact O-N 3.05Å; D143-K146 PolarHBondContact O-N 3.14Å; D143-K146 IonicContact OD1-NZ 3.88Å; D143-K146 PolarHBondContact OD1-NZ 3.05Å; I144-K146 VanDerWaalsContact C-N 3.3Å; I144-K146 PolarHBondContact O-N 3.48Å; K146-Y149 WeakPolarHBondContact O-CB 3.48Å; K146-Y149 PolarHBondContact O-N 2.85Å; K146-K150 WeakPolarHBondContact O-CB 3.39Å; K146-K150 PolarHBondContact O-N 2.96Å; K146-T520 HydrophobicContact CG-CG2 4.06Å; K146-I524 HydrophobicContact CG-CD1 4.35Å
147N64Low58.4Low108 Ų10876.3 Ų76.358%0.57837%0.369SS*.Hα-helixtrans-64.8-46.4177.4-75.3-18.3000110.4D143 I144 Y149 K150 L151D143-N147 WeakPolarHBondContact O-CB 3.4Å; D143-N147 PolarHBondContact O-N 3.32Å; I144-N147 PolarHBondContact O-N 3.35Å; I144-N147 VanDerWaalsContact O-N 3.16Å; N147-Y149 VanDerWaalsContact C-N 3.31Å; N147-Y149 PolarHBondContact O-N 2.92Å; N147-K150 PolarHBondContact O-N 3.41Å; N147-L151 WeakPolarHBondContact O-CB 3.13Å; N147-L151 PolarHBondContact O-N 2.92Å
148D53.3Low57.6Low69 Ų6975.8 Ų75.837%0.36937%0.373SS..Hα-helixtrans-56.4-46.8171.4-75.3-10000110.3I144 K150 L151 W152I144-D148 WeakPolarHBondContact O-CB 3.28Å; I144-D148 PolarHBondContact O-N 3.2Å; D148-K150 PolarHBondContact O-N 2.73Å; D148-L151 PolarHBondContact O-N 3.45Å; D148-W152 VanDerWaalsContact O-CB 3.24Å; D148-W152 WeakPolarHBondContact O-CB 3.2Å; D148-W152 PolarHBondContact O-N 2.95Å
149Y58.8Low56.9Low42 Ų4276.9 Ų76.917%0.16537%0.373CS..Hα-helixtrans-59-46.4176167.8-87.9000112.5M145 K146 N147 L151 W152 N153 Q523 I524 I527M145-Y149 WeakPolarHBondContact O-CB 3.38Å; M145-Y149 PolarHBondContact O-N 2.87Å; K146-Y149 WeakPolarHBondContact O-CB 3.48Å; K146-Y149 PolarHBondContact O-N 2.85Å; N147-Y149 VanDerWaalsContact C-N 3.31Å; N147-Y149 PolarHBondContact O-N 2.92Å; Y149-L151 VanDerWaalsContact C-N 3.27Å; Y149-L151 PolarHBondContact O-N 3.26Å; Y149-W152 PolarHBondContact O-N 3.33Å; Y149-N153 WeakPolarHBondContact O-CA 3.35Å; Y149-N153 WeakPolarHBondContact O-CB 3.29Å; Y149-N153 PolarHBondContact O-N 2.96Å; Y149-Q523 HydrophobicContact CE2-CB 4.22Å; Y149-I524 HydrophobicContact CD2-CB 4.42Å; Y149-I524 HydrophobicContact CD2-CG1 3.79Å; Y149-I524 HydrophobicContact CG-CG1 3.93Å; Y149-I527 HydrophobicContact CD2-CB 4.4Å; Y149-I527 HydrophobicContact CD2-CD1 3.91Å; Y149-I527 HydrophobicContact CD2-CG1 4.43Å; Y149-I527 HydrophobicContact CE2-CB 4.39Å; Y149-I527 HydrophobicContact CE2-CD1 3.23Å; Y149-I527 HydrophobicContact CE2-CG1 3.94Å
150K60.5Low56Low137 Ų13772.6 Ų72.660%0.59636%0.355SS*.Hα-helixtrans-60.3-42.9178.2-171.3179.2-179.4-177.70110.2K146 N147 D148 N154K146-K150 WeakPolarHBondContact O-CB 3.39Å; K146-K150 PolarHBondContact O-N 2.96Å; N147-K150 PolarHBondContact O-N 3.41Å; D148-K150 PolarHBondContact O-N 2.73Å; K150-N154 VanDerWaalsContact O-CB 3.29Å; K150-N154 WeakPolarHBondContact O-CB 3.39Å; K150-N154 PolarHBondContact O-N 2.87Å; K150-N154 PolarHBondContact O-ND2 3.42Å; K150-N154 PolarHBondContact O-OD1 2.7Å
151L52Low54.9Low105 Ų10575.6 Ų75.655%0.5536%0.361SS..Hα-helixtrans-70-45.7-179.3-153.2145.9000111.6N147 D148 Y149 N154 L155N147-L151 WeakPolarHBondContact O-CB 3.13Å; N147-L151 PolarHBondContact O-N 2.92Å; D148-L151 PolarHBondContact O-N 3.45Å; Y149-L151 VanDerWaalsContact C-N 3.27Å; Y149-L151 PolarHBondContact O-N 3.26Å; L151-N154 PolarHBondContact O-N 3.34Å; L151-L155 HydrophobicContact CD2-CD1 3.68Å; L151-L155 HydrophobicContact CD2-CG 4.25Å; L151-L155 WeakPolarHBondContact O-CB 3.37Å; L151-L155 WeakPolarHBondContact O-CG 3.43Å; L151-L155 PolarHBondContact O-N 2.98Å
152W52.1Low53.8Low75 Ų7573.8 Ų73.828%0.28436%0.358SS..Hα-helixtrans-64.2-42.8175-82.7114.3000112.6D148 Y149 N154 L155 L156D148-W152 VanDerWaalsContact O-CB 3.24Å; D148-W152 WeakPolarHBondContact O-CB 3.2Å; D148-W152 PolarHBondContact O-N 2.95Å; Y149-W152 PolarHBondContact O-N 3.33Å; W152-N154 VanDerWaalsContact C-N 3.34Å; W152-L155 HydrophobicContact CE3-CD1 4.2Å; W152-L155 HydrophobicContact CH2-CD1 4.45Å; W152-L155 HydrophobicContact CZ3-CD1 4.07Å; W152-L155 PolarHBondContact O-N 3.28Å; W152-L156 WeakPolarHBondContact O-CB 3.43Å; W152-L156 PolarHBondContact O-N 3.47Å
153N54.3Low53.2Low9 Ų974.6 Ų74.65%0.04836%0.364CS..Hα-helixtrans-64.9-42177.6-17023.1000109.9Y149 L156 K157 Q186 E190 I527Y149-N153 WeakPolarHBondContact O-CA 3.35Å; Y149-N153 WeakPolarHBondContact O-CB 3.29Å; Y149-N153 PolarHBondContact O-N 2.96Å; N153-L156 PolarHBondContact O-N 3.4Å; N153-K157 VanDerWaalsContact O-CG 3.31Å; N153-K157 WeakPolarHBondContact O-CG 3.35Å; N153-K157 PolarHBondContact O-N 2.89Å; N153-Q186 PolarHBondContact O-NE2 3.19Å; N153-Q186 VanDerWaalsContact O-NE2 3.11Å; N153-Q186 PolarHBondContact OD1-NE2 3.01Å; N153-E190 PolarHBondContact ND2-OE1 2.9Å; N153-E190 PolarHBondContact OD1-OE1 3.49Å; N153-I527 HydrophobicContact CB-CD1 4.47Å
154N55.3Low52.1Low81 Ų8178 Ų7843%0.43337%0.374SS..Hα-helixtrans-63.1-45.4172.7-72-13.2000112.4K150 L151 W152 L156 K157 V158K150-N154 VanDerWaalsContact O-CB 3.29Å; K150-N154 WeakPolarHBondContact O-CB 3.39Å; K150-N154 PolarHBondContact O-N 2.87Å; K150-N154 PolarHBondContact O-ND2 3.42Å; K150-N154 PolarHBondContact O-OD1 2.7Å; L151-N154 PolarHBondContact O-N 3.34Å; W152-N154 VanDerWaalsContact C-N 3.34Å; N154-L156 VanDerWaalsContact C-N 3.33Å; N154-L156 PolarHBondContact O-N 3.02Å; N154-K157 WeakPolarHBondContact O-CB 3.24Å; N154-K157 PolarHBondContact O-N 3.29Å; N154-V158 WeakPolarHBondContact O-CG2 3.45Å; N154-V158 PolarHBondContact O-N 3.41Å
155L46.1Very low51Low74 Ų7476.5 Ų76.539%0.38737%0.367SS..Hα-helixtrans-61.3-42.5175.1-78.1172.7000111.6L151 W152 K157 V158 L159L151-L155 HydrophobicContact CD2-CD1 3.68Å; L151-L155 HydrophobicContact CD2-CG 4.25Å; L151-L155 WeakPolarHBondContact O-CB 3.37Å; L151-L155 WeakPolarHBondContact O-CG 3.43Å; L151-L155 PolarHBondContact O-N 2.98Å; W152-L155 HydrophobicContact CE3-CD1 4.2Å; W152-L155 HydrophobicContact CH2-CD1 4.45Å; W152-L155 HydrophobicContact CZ3-CD1 4.07Å; W152-L155 PolarHBondContact O-N 3.28Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 3.39Å; L155-V158 PolarHBondContact O-N 2.89Å; L155-L159 WeakPolarHBondContact O-CB 3.48Å; L155-L159 PolarHBondContact O-N 2.91Å
156L47.9Very low50.5Low14 Ų1477 Ų777%0.07337%0.369CS..Hα-helixtrans-64.6-36.9176.8-170.168.7000110.7W152 N153 N154 N160 Q186 M534W152-L156 WeakPolarHBondContact O-CB 3.43Å; W152-L156 PolarHBondContact O-N 3.47Å; N153-L156 PolarHBondContact O-N 3.4Å; N154-L156 VanDerWaalsContact C-N 3.33Å; N154-L156 PolarHBondContact O-N 3.02Å; L156-N160 WeakPolarHBondContact O-CB 3.44Å; L156-N160 VanDerWaalsContact O-CG 3.26Å; L156-N160 PolarHBondContact O-N 2.99Å; L156-N160 PolarHBondContact O-ND2 3.46Å; L156-Q186 HydrophobicContact CD2-CG 4.19Å; L156-M534 HydrophobicContact CD1-CE 3.9Å
157K52.8Low49.6Very low78 Ų7874.1 Ų74.134%0.33936%0.357SS..Hα-helixtrans-61.2-48171-72.9176.7-174.2-179.40111.3N153 N154 L155 N160 Y161 Q186 E190N153-K157 VanDerWaalsContact O-CG 3.31Å; N153-K157 WeakPolarHBondContact O-CG 3.35Å; N153-K157 PolarHBondContact O-N 2.89Å; N154-K157 WeakPolarHBondContact O-CB 3.24Å; N154-K157 PolarHBondContact O-N 3.29Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 3.39Å; K157-N160 PolarHBondContact O-N 2.65Å; K157-Y161 VanDerWaalsContact O-CB 3.24Å; K157-Y161 WeakPolarHBondContact O-CB 3.38Å; K157-Y161 PolarHBondContact O-N 2.9Å; K157-Q186 VanDerWaalsContact CG-NE2 3.26Å; K157-E190 WeakPolarHBondContact CE-OE1 3.43Å; K157-E190 IonicContact NZ-OE1 2.7Å; K157-E190 PolarHBondContact NZ-OE1 2.73Å; K157-E190 IonicContact NZ-OE2 3.33Å; K157-E190 PolarHBondContact NZ-OE2 3.06Å
158V47.3Very low48.6Very low100 Ų10072 Ų7261%0.60635%0.351SS*.Hα-helixtrans-64.6-46.1-179.8173.90000110.7N154 L155 Y161 H162N154-V158 WeakPolarHBondContact O-CG2 3.45Å; N154-V158 PolarHBondContact O-N 3.41Å; L155-V158 PolarHBondContact O-N 2.89Å; V158-Y161 PolarHBondContact O-N 3.34Å; V158-H162 VanDerWaalsContact O-CB 3.29Å; V158-H162 WeakPolarHBondContact O-CB 3.44Å; V158-H162 PolarHBondContact O-N 3.49Å
159L44.1Very low48.2Very low87 Ų8774 Ų7446%0.45536%0.362SS..Hα-helixtrans-61.6-49.8175.7-91.8158.5000111.2L155 Y161 H162 V163L155-L159 WeakPolarHBondContact O-CB 3.48Å; L155-L159 PolarHBondContact O-N 2.91Å; L159-Y161 VanDerWaalsContact C-N 3.3Å; L159-Y161 PolarHBondContact O-N 2.98Å; L159-H162 PolarHBondContact O-N 3.15Å; L159-V163 VanDerWaalsContact O-CB 3.23Å; L159-V163 WeakPolarHBondContact O-CB 3.45Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 3.32Å
160N47.5Very low47.5Very low6 Ų674.5 Ų74.53%0.03237%0.367CS..Hα-helixtrans-61.6-39.4178-79.4-22.8000111.5L156 K157 Y164 F183 Q186L156-N160 WeakPolarHBondContact O-CB 3.44Å; L156-N160 VanDerWaalsContact O-CG 3.26Å; L156-N160 PolarHBondContact O-N 2.99Å; L156-N160 PolarHBondContact O-ND2 3.46Å; K157-N160 PolarHBondContact O-N 2.65Å; N160-Y164 WeakPolarHBondContact O-CB 3.31Å; N160-Y164 PolarHBondContact O-N 3.44Å; N160-F183 HydrophobicContact CB-CD2 4.15Å; N160-Q186 PolarHBondContact ND2-OE1 3.26Å
161Y47.4Very low46.7Very low152 Ų15278.4 Ų78.460%0.59638%0.384SS*.Hα-helixtrans-65.8-43.2174.6-169.4-93.7000111.6K157 V158 L159 Y164 N165K157-Y161 VanDerWaalsContact O-CB 3.24Å; K157-Y161 WeakPolarHBondContact O-CB 3.38Å; K157-Y161 PolarHBondContact O-N 2.9Å; V158-Y161 PolarHBondContact O-N 3.34Å; L159-Y161 VanDerWaalsContact C-N 3.3Å; L159-Y161 PolarHBondContact O-N 2.98Å; Y161-Y164 PolarHBondContact O-N 2.96Å; Y161-N165 VanDerWaalsContact O-CB 3.24Å; Y161-N165 WeakPolarHBondContact O-CB 3.29Å; Y161-N165 PolarHBondContact O-N 2.93Å
162H42.8Very low46.4Very low103 Ų10379.1 Ų79.148%0.47738%0.382SS..Hα-helixtrans-66.9-44.8179.5-159.767.1000111.4V158 L159 N165 Q166V158-H162 VanDerWaalsContact O-CB 3.29Å; V158-H162 WeakPolarHBondContact O-CB 3.44Å; V158-H162 PolarHBondContact O-N 3.49Å; L159-H162 PolarHBondContact O-N 3.15Å; H162-N165 PolarHBondContact O-N 3.1Å; H162-Q166 PolarHBondContact NE2-NE2 2.7Å; H162-Q166 VanDerWaalsContact O-CB 3.26Å; H162-Q166 WeakPolarHBondContact O-CB 3.3Å; H162-Q166 WeakPolarHBondContact O-CG 3.41Å; H162-Q166 PolarHBondContact O-N 3.28Å
163V43Very low46Very low52 Ų5279.3 Ų79.332%0.31540%0.395SS..Hα-helixtrans-61.8-46.1174.5170.50000110.1L159 N165 L167 A179L159-V163 VanDerWaalsContact O-CB 3.23Å; L159-V163 WeakPolarHBondContact O-CB 3.45Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 3.32Å; V163-N165 PolarHBondContact O-N 3.36Å; V163-L167 HydrophobicContact CG1-CD1 3.35Å; V163-L167 HydrophobicContact CG1-CG 4.19Å; V163-L167 WeakPolarHBondContact O-CB 3.47Å; V163-L167 WeakPolarHBondContact O-CD1 3.45Å; V163-L167 WeakPolarHBondContact O-CG 3.43Å; V163-L167 PolarHBondContact O-N 2.83Å; V163-A179 HydrophobicContact CG1-CB 3.7Å
164Y45.4Very low45.6Very low121 Ų12182 Ų8248%0.47541%0.409SS..Hα-helixtrans-58.8-46.4173.8179.8-93.4000111.9N160 Y161 L167 S168N160-Y164 WeakPolarHBondContact O-CB 3.31Å; N160-Y164 PolarHBondContact O-N 3.44Å; Y161-Y164 PolarHBondContact O-N 2.96Å; Y164-L167 PolarHBondContact O-N 3.44Å; Y164-S168 VanDerWaalsContact O-CB 3.24Å; Y164-S168 WeakPolarHBondContact O-CB 3.42Å; Y164-S168 PolarHBondContact O-N 2.99Å
165N43Very low44.9Very low68 Ų6878.5 Ų78.536%0.36439%0.391SS..Hα-helixtrans-65.5-48-179-160.529.8000111.5Y161 H162 V163 L167 S168Y161-N165 VanDerWaalsContact O-CB 3.24Å; Y161-N165 WeakPolarHBondContact O-CB 3.29Å; Y161-N165 PolarHBondContact O-N 2.93Å; H162-N165 PolarHBondContact O-N 3.1Å; V163-N165 PolarHBondContact O-N 3.36Å; N165-L167 PolarHBondContact O-N 3.48Å; N165-S168 PolarHBondContact O-OG 3.08Å
166Q43.2Very low44.7Very low56 Ų5677 Ų7726%0.26239%0.386SS..Hα-helixtrans-61.8-41.7177-70.4-112.14.700112H162H162-Q166 PolarHBondContact NE2-NE2 2.7Å; H162-Q166 VanDerWaalsContact O-CB 3.26Å; H162-Q166 WeakPolarHBondContact O-CB 3.3Å; H162-Q166 WeakPolarHBondContact O-CG 3.41Å; H162-Q166 PolarHBondContact O-N 3.28Å
167L41.4Very low44.6Very low19 Ų1980 Ų8010%0.09940%0.403CS..Hα-helixtrans-82-25.5-177.7-66.6171.4000113.8V163 Y164 N165 N169 I170 V175 A179V163-L167 HydrophobicContact CG1-CD1 3.35Å; V163-L167 HydrophobicContact CG1-CG 4.19Å; V163-L167 WeakPolarHBondContact O-CB 3.47Å; V163-L167 WeakPolarHBondContact O-CD1 3.45Å; V163-L167 WeakPolarHBondContact O-CG 3.43Å; V163-L167 PolarHBondContact O-N 2.83Å; Y164-L167 PolarHBondContact O-N 3.44Å; N165-L167 PolarHBondContact O-N 3.48Å; L167-N169 PolarHBondContact O-N 2.82Å; L167-N169 VanDerWaalsContact O-N 3.16Å; L167-I170 HydrophobicContact CD2-CD1 3.91Å; L167-I170 PolarHBondContact O-N 3.45Å; L167-V175 HydrophobicContact CD1-CB 4.39Å; L167-V175 HydrophobicContact CD1-CG1 3.64Å; L167-V175 HydrophobicContact CD2-CB 3.86Å; L167-V175 HydrophobicContact CD2-CG1 3.32Å; L167-V175 HydrophobicContact CG-CG1 4.12Å; L167-A179 HydrophobicContact CD1-CB 3.69Å
168S43Very low44.2Very low63 Ų6378.3 Ų78.344%0.44140%0.397SS..Hα-helixtrans-58.6-25.9172.274.30000111.7Y164 N165Y164-S168 VanDerWaalsContact O-CB 3.24Å; Y164-S168 WeakPolarHBondContact O-CB 3.42Å; Y164-S168 PolarHBondContact O-N 2.99Å; N165-S168 PolarHBondContact O-OG 3.08Å
169N45.2Very low44.2Very low113 Ų11373.8 Ų73.860%0.60437%0.37SS*.THydrogen-bonded Turntrans-81.2-14.8174.1-66.1-23.6000113.5L167L167-N169 PolarHBondContact O-N 2.82Å; L167-N169 VanDerWaalsContact O-N 3.16Å
170I42.7Very low44.5Very low52 Ų5271.9 Ų71.927%0.26736%0.362SS..  trans-99.5109.9-176.9-64.3164.4000108.9L167 K172 Y621L167-I170 HydrophobicContact CD2-CD1 3.91Å; L167-I170 PolarHBondContact O-N 3.45Å; I170-K172 HydrophobicContact CG2-CB 4Å; I170-K172 HydrophobicContact CG2-CG 4.31Å; I170-K172 PolarHBondContact O-N 3.03Å; I170-Y621 HydrophobicContact CD1-CE2 4.39Å
171K45.5Very low44.5Very low219 Ų21972.8 Ų72.895%0.95237%0.368SS*.  trans-59.14.1178.6-75.3-177.6176.3177.70116S173K171-S173 PolarHBondContact O-N 3.4Å
172K44.9Very low44.5Very low120 Ų12067.4 Ų67.452%0.52235%0.352SS..  trans-83.8103.7177.8-74.6-178.1174.1177.30110.1I170 N174 V175I170-K172 HydrophobicContact CG2-CB 4Å; I170-K172 HydrophobicContact CG2-CG 4.31Å; I170-K172 PolarHBondContact O-N 3.03Å; K172-N174 PolarHBondContact O-N 3.46Å; K172-N174 VanDerWaalsContact O-N 3.09Å; K172-V175 HydrophobicContact CB-CG2 4.46Å; K172-V175 PolarHBondContact O-N 3.34Å
173S44.5Very low45Very low78 Ų7865.7 Ų65.755%0.54534%0.343SS..Hα-helixtrans-47.5-38.7-176.157.60000115.1K171 V175 N177K171-S173 PolarHBondContact O-N 3.4Å; S173-V175 PolarHBondContact O-N 2.86Å; S173-N177 PolarHBondContact O-N 3.36Å; S173-N177 PolarHBondContact O-ND2 2.94Å; S173-N177 PolarHBondContact O-OD1 3.26Å
174N44.6Very low45.3Very low65 Ų6565.9 Ų65.935%0.34834%0.343SS..Hα-helixtrans-72.1-31-169.8-68.72.7000113.4K172 L178 L609 T614K172-N174 PolarHBondContact O-N 3.46Å; K172-N174 VanDerWaalsContact O-N 3.09Å; N174-L178 PolarHBondContact O-N 2.89Å; N174-L609 HydrophobicContact CB-CD2 3.63Å; N174-L609 WeakPolarHBondContact ND2-CD2 3.47Å; N174-T614 HydrophobicContact CB-CG2 3.73Å
175V40.3Very low45.6Very low8 Ų861.1 Ų61.15%0.04833%0.325CS..Hα-helixtrans-82.8-39.4-176.3-1590000110.8L167 K172 S173 N177 L178 A179 T614 V618L167-V175 HydrophobicContact CD1-CB 4.39Å; L167-V175 HydrophobicContact CD1-CG1 3.64Å; L167-V175 HydrophobicContact CD2-CB 3.86Å; L167-V175 HydrophobicContact CD2-CG1 3.32Å; L167-V175 HydrophobicContact CG-CG1 4.12Å; K172-V175 HydrophobicContact CB-CG2 4.46Å; K172-V175 PolarHBondContact O-N 3.34Å; S173-V175 PolarHBondContact O-N 2.86Å; V175-N177 PolarHBondContact O-N 2.87Å; V175-L178 PolarHBondContact O-N 3.41Å; V175-A179 PolarHBondContact O-N 3.32Å; V175-T614 HydrophobicContact CB-CG2 4.25Å; V175-T614 HydrophobicContact CG2-CG2 3.65Å; V175-V618 HydrophobicContact CG1-CG2 3.4Å
176S42.8Very low46.3Very low42 Ų4258.3 Ų58.329%0.29431%0.31SS..Hα-helixtrans-52.5-39.8168.3173.10000111.3T180S176-T180 WeakPolarHBondContact O-CB 3.29Å; S176-T180 PolarHBondContact O-N 3.1Å; S176-T180 VanDerWaalsContact O-N 3.15Å; S176-T180 PolarHBondContact O-OG1 3.03Å
177N46.1Very low46.9Very low79 Ų7959.6 Ų59.642%0.42232%0.316SS..Hα-helixtrans-64.4-44.4178.9-69.5-14000112.4S173 V175 A179 T180 V181S173-N177 PolarHBondContact O-N 3.36Å; S173-N177 PolarHBondContact O-ND2 2.94Å; S173-N177 PolarHBondContact O-OD1 3.26Å; V175-N177 PolarHBondContact O-N 2.87Å; N177-A179 PolarHBondContact O-N 3.14Å; N177-T180 WeakPolarHBondContact O-CB 3.19Å; N177-T180 PolarHBondContact O-N 3.43Å; N177-V181 WeakPolarHBondContact O-CB 3.45Å; N177-V181 WeakPolarHBondContact O-CG2 3.14Å; N177-V181 PolarHBondContact O-N 3.5Å
178L44.2Very low47.4Very low42 Ų4259.9 Ų59.922%0.2232%0.319CS..Hα-helixtrans-63.7-43.9-178.6-164.987000112.2N174 V175 T180 V181 C182 F615N174-L178 PolarHBondContact O-N 2.89Å; V175-L178 PolarHBondContact O-N 3.41Å; L178-T180 VanDerWaalsContact C-N 3.31Å; L178-T180 PolarHBondContact O-N 2.96Å; L178-V181 WeakPolarHBondContact O-CB 3.32Å; L178-V181 PolarHBondContact O-N 3.43Å; L178-C182 PolarHBondContact O-N 3Å; L178-C182 PolarHBondContact O-SG 2.88Å; L178-F615 HydrophobicContact CD1-CE2 3.86Å; L178-F615 HydrophobicContact CD1-CZ 4.32Å; L178-F615 HydrophobicContact CD2-CD2 4.36Å; L178-F615 HydrophobicContact CD2-CE1 4.22Å; L178-F615 HydrophobicContact CD2-CE2 3.6Å; L178-F615 HydrophobicContact CD2-CZ 3.53Å; L178-F615 HydrophobicContact CG-CE2 4.4Å
179A47.3Very low47.9Very low5 Ų557 Ų574%0.04130%0.298CS..Hα-helixtrans-62.2-41.3176.800000112V163 L167 V175 N177 V181 C182 F183V163-A179 HydrophobicContact CG1-CB 3.7Å; L167-A179 HydrophobicContact CD1-CB 3.69Å; V175-A179 PolarHBondContact O-N 3.32Å; N177-A179 PolarHBondContact O-N 3.14Å; A179-V181 VanDerWaalsContact C-N 3.32Å; A179-V181 PolarHBondContact O-N 3.37Å; A179-C182 PolarHBondContact O-N 3.11Å; A179-F183 WeakPolarHBondContact O-CB 2.92Å; A179-F183 PolarHBondContact O-N 3.24Å
180T49.1Very low48.7Very low47 Ų4754.1 Ų54.129%0.28828%0.281SS..Hα-helixtrans-63.5-40.3175.3-49.20000110.9S176 N177 L178 N184S176-T180 WeakPolarHBondContact O-CB 3.29Å; S176-T180 PolarHBondContact O-N 3.1Å; S176-T180 VanDerWaalsContact O-N 3.15Å; S176-T180 PolarHBondContact O-OG1 3.03Å; N177-T180 WeakPolarHBondContact O-CB 3.19Å; N177-T180 PolarHBondContact O-N 3.43Å; L178-T180 VanDerWaalsContact C-N 3.31Å; L178-T180 PolarHBondContact O-N 2.96Å; T180-N184 VanDerWaalsContact O-CB 3.25Å; T180-N184 WeakPolarHBondContact O-CB 3.49Å; T180-N184 PolarHBondContact O-N 3.43Å; T180-N184 PolarHBondContact O-ND2 2.93Å
181V47.3Very low49.2Very low24 Ų2456 Ų5615%0.14529%0.291CS..Hα-helixtrans-62.4-54.5174.7167.20000110.4N177 L178 A179 F183 N184 L185 W599 I606N177-V181 WeakPolarHBondContact O-CB 3.45Å; N177-V181 WeakPolarHBondContact O-CG2 3.14Å; N177-V181 PolarHBondContact O-N 3.5Å; L178-V181 WeakPolarHBondContact O-CB 3.32Å; L178-V181 PolarHBondContact O-N 3.43Å; A179-V181 VanDerWaalsContact C-N 3.32Å; A179-V181 PolarHBondContact O-N 3.37Å; V181-F183 VanDerWaalsContact C-N 3.28Å; V181-F183 PolarHBondContact O-N 2.97Å; V181-N184 PolarHBondContact O-N 3.11Å; V181-N184 VanDerWaalsContact O-N 3.12Å; V181-L185 PolarHBondContact O-N 2.86Å; V181-W599 HydrophobicContact CB-CH2 4.16Å; V181-W599 HydrophobicContact CG1-CH2 3.45Å; V181-W599 VanDerWaalsContact CG1-CH2 3.45Å; V181-W599 HydrophobicContact CG1-CZ2 3.95Å; V181-W599 HydrophobicContact CG1-CZ3 4.36Å; V181-W599 WeakPolarHBondContact O-CH2 3.15Å; V181-I606 HydrophobicContact CB-CD1 4.47Å; V181-I606 HydrophobicContact CG1-CD1 3.68Å; V181-I606 HydrophobicContact CG2-CD1 4.06Å
182C49Very low49.6Very low39 Ų3946.5 Ų46.526%0.26425%0.249SC..Hα-helixtrans-57.6-41.3-179.6-69.40000112.6L178 A179 L185 Q186L178-C182 PolarHBondContact O-N 3Å; L178-C182 PolarHBondContact O-SG 2.88Å; A179-C182 PolarHBondContact O-N 3.11Å; C182-L185 PolarHBondContact O-N 3.22Å; C182-Q186 WeakPolarHBondContact O-CB 3.42Å; C182-Q186 PolarHBondContact O-N 3.35Å
183F51.6Low50.2Low67 Ų6741 Ų4129%0.29423%0.227SC..Hα-helixtrans-64.4-45.5175.9-173.9-100.9000112.1N160 A179 V181 Q186 Q187N160-F183 HydrophobicContact CB-CD2 4.15Å; A179-F183 WeakPolarHBondContact O-CB 2.92Å; A179-F183 PolarHBondContact O-N 3.24Å; V181-F183 VanDerWaalsContact C-N 3.28Å; V181-F183 PolarHBondContact O-N 2.97Å; F183-Q186 PolarHBondContact O-N 3.07Å; F183-Q187 HydrophobicContact CD1-CG 4.39Å; F183-Q187 VanDerWaalsContact CE1-CD 3.44Å; F183-Q187 HydrophobicContact CE1-CG 4.13Å; F183-Q187 HydrophobicContact CZ-CG 4.37Å; F183-Q187 WeakPolarHBondContact O-CG 3.4Å; F183-Q187 PolarHBondContact O-N 3.29Å
184N50.8Low51Low57 Ų5743.8 Ų43.831%0.30523%0.229SC..Hα-helixtrans-63.7-41176.7-73.9-13.8000111.9T180 V181 Q187 T188 W599T180-N184 VanDerWaalsContact O-CB 3.25Å; T180-N184 WeakPolarHBondContact O-CB 3.49Å; T180-N184 PolarHBondContact O-N 3.43Å; T180-N184 PolarHBondContact O-ND2 2.93Å; V181-N184 PolarHBondContact O-N 3.11Å; V181-N184 VanDerWaalsContact O-N 3.12Å; N184-Q187 PolarHBondContact O-N 3.35Å; N184-T188 WeakPolarHBondContact O-CB 3.24Å; N184-T188 PolarHBondContact O-N 2.92Å; N184-T188 PolarHBondContact O-OG1 3.44Å; N184-W599 HydrophobicContact CB-CE3 4.39Å; N184-W599 HydrophobicContact CB-CH2 4.28Å; N184-W599 HydrophobicContact CB-CZ3 3.55Å
185L50.4Low51.5Low21 Ų2142.6 Ų42.611%0.1122%0.222CC..Hα-helixtrans-62.3-45176.9-172.577.4000110.9V181 C182 T188 I189 L530 F553 W599V181-L185 PolarHBondContact O-N 2.86Å; C182-L185 PolarHBondContact O-N 3.22Å; L185-T188 WeakPolarHBondContact O-CB 3.5Å; L185-T188 PolarHBondContact O-N 3.49Å; L185-I189 HydrophobicContact CG-CD1 4.16Å; L185-I189 WeakPolarHBondContact O-CG1 3.37Å; L185-I189 PolarHBondContact O-N 3.41Å; L185-L530 HydrophobicContact CD2-CD1 3.66Å; L185-L530 HydrophobicContact CD2-CD2 3.47Å; L185-L530 VanDerWaalsContact CD2-CD2 3.47Å; L185-L530 HydrophobicContact CD2-CG 4.22Å; L185-F553 HydrophobicContact CD1-CE2 4.47Å; L185-W599 HydrophobicContact CB-CH2 3.67Å; L185-W599 HydrophobicContact CB-CZ2 3.72Å; L185-W599 HydrophobicContact CD1-CH2 4.19Å; L185-W599 HydrophobicContact CD1-CZ2 3.37Å; L185-W599 HydrophobicContact CG-CZ2 4.07Å
186Q57.5Low52.3Low8 Ų842.2 Ų42.24%0.03722%0.22CC..Hα-helixtrans-62-49.8177.9-177.7179.311.600111.7N153 L156 K157 N160 C182 F183 T188 I189 E190N153-Q186 PolarHBondContact O-NE2 3.19Å; N153-Q186 VanDerWaalsContact O-NE2 3.11Å; N153-Q186 PolarHBondContact OD1-NE2 3.01Å; L156-Q186 HydrophobicContact CD2-CG 4.19Å; K157-Q186 VanDerWaalsContact CG-NE2 3.26Å; N160-Q186 PolarHBondContact ND2-OE1 3.26Å; C182-Q186 WeakPolarHBondContact O-CB 3.42Å; C182-Q186 PolarHBondContact O-N 3.35Å; F183-Q186 PolarHBondContact O-N 3.07Å; Q186-T188 PolarHBondContact O-N 3.23Å; Q186-I189 PolarHBondContact O-N 3.19Å; Q186-E190 PolarHBondContact O-N 3.13Å; Q186-E190 VanDerWaalsContact O-N 3.08Å
187Q57.4Low53.3Low84 Ų8447.5 Ų47.539%0.39323%0.234SC..Hα-helixtrans-57.2-40.7174.8-76.1-167.5-17.100111.3F183 N184 E190 I191F183-Q187 HydrophobicContact CD1-CG 4.39Å; F183-Q187 VanDerWaalsContact CE1-CD 3.44Å; F183-Q187 HydrophobicContact CE1-CG 4.13Å; F183-Q187 HydrophobicContact CZ-CG 4.37Å; F183-Q187 WeakPolarHBondContact O-CG 3.4Å; F183-Q187 PolarHBondContact O-N 3.29Å; N184-Q187 PolarHBondContact O-N 3.35Å; Q187-E190 PolarHBondContact O-N 3.47Å; Q187-I191 WeakPolarHBondContact O-CB 3.38Å; Q187-I191 WeakPolarHBondContact O-CD1 3.18Å; Q187-I191 WeakPolarHBondContact O-CG1 3.32Å; Q187-I191 PolarHBondContact O-N 3.33Å
188T51.8Low54.1Low25 Ų2547.1 Ų47.115%0.15323%0.226CC..Hα-helixtrans-61.6-50178.4-60.30000110.4N184 L185 Q186 E190 I191 W192 F553N184-T188 WeakPolarHBondContact O-CB 3.24Å; N184-T188 PolarHBondContact O-N 2.92Å; N184-T188 PolarHBondContact O-OG1 3.44Å; L185-T188 WeakPolarHBondContact O-CB 3.5Å; L185-T188 PolarHBondContact O-N 3.49Å; Q186-T188 PolarHBondContact O-N 3.23Å; T188-E190 VanDerWaalsContact C-N 3.32Å; T188-E190 PolarHBondContact O-N 2.99Å; T188-I191 PolarHBondContact O-N 2.79Å; T188-W192 VanDerWaalsContact CG2-NE1 3.28Å; T188-W192 WeakPolarHBondContact O-CB 3.48Å; T188-W192 PolarHBondContact O-N 2.85Å; T188-F553 HydrophobicContact CG2-CE2 4.21Å; T188-F553 HydrophobicContact CG2-CZ 3.68Å
189I53.7Low54.8Low1 Ų146 Ų461%0.00522%0.22CC..Hα-helixtrans-58.3-39.9177.4-67.4162000112.4L185 Q186 W192 G193 Q523 I526 I527 L530 F553L185-I189 HydrophobicContact CG-CD1 4.16Å; L185-I189 WeakPolarHBondContact O-CG1 3.37Å; L185-I189 PolarHBondContact O-N 3.41Å; Q186-I189 PolarHBondContact O-N 3.19Å; I189-W192 PolarHBondContact O-N 3.27Å; I189-G193 PolarHBondContact O-N 3.43Å; I189-Q523 PolarHBondContact O-NE2 3.48Å; I189-I526 HydrophobicContact CD1-CG2 3.62Å; I189-I526 HydrophobicContact CG1-CG2 4.33Å; I189-I527 HydrophobicContact CG2-CG1 4.45Å; I189-L530 HydrophobicContact CD1-CD1 3.63Å; I189-F553 HydrophobicContact CG1-CD2 4.18Å; I189-F553 HydrophobicContact CG1-CE2 3.93Å
190E61Low55.6Low54 Ų5445.9 Ų45.925%0.25222%0.219SC..Hα-helixtrans-67-47.4176.8-70.7-170147.600111.9N153 K157 Q186 Q187 T188 W192 G193 F194N153-E190 PolarHBondContact ND2-OE1 2.9Å; N153-E190 PolarHBondContact OD1-OE1 3.49Å; K157-E190 WeakPolarHBondContact CE-OE1 3.43Å; K157-E190 IonicContact NZ-OE1 2.7Å; K157-E190 PolarHBondContact NZ-OE1 2.73Å; K157-E190 IonicContact NZ-OE2 3.33Å; K157-E190 PolarHBondContact NZ-OE2 3.06Å; Q186-E190 PolarHBondContact O-N 3.13Å; Q186-E190 VanDerWaalsContact O-N 3.08Å; Q187-E190 PolarHBondContact O-N 3.47Å; T188-E190 VanDerWaalsContact C-N 3.32Å; T188-E190 PolarHBondContact O-N 2.99Å; E190-W192 VanDerWaalsContact C-N 3.25Å; E190-W192 PolarHBondContact O-N 3.24Å; E190-G193 PolarHBondContact O-N 3.42Å; E190-F194 WeakPolarHBondContact O-CB 3.28Å; E190-F194 PolarHBondContact O-N 3.28Å
191I53.4Low56.4Low92 Ų9246.2 Ų46.247%0.47222%0.219SC..Hα-helixtrans-58.6-41.5176.1-69165000109.8Q187 T188 F194 I195Q187-I191 WeakPolarHBondContact O-CB 3.38Å; Q187-I191 WeakPolarHBondContact O-CD1 3.18Å; Q187-I191 WeakPolarHBondContact O-CG1 3.32Å; Q187-I191 PolarHBondContact O-N 3.33Å; T188-I191 PolarHBondContact O-N 2.79Å; I191-F194 PolarHBondContact O-N 3.35Å; I191-I195 HydrophobicContact CG2-CD1 3.69Å; I191-I195 HydrophobicContact CG2-CG1 4.35Å; I191-I195 WeakPolarHBondContact O-CB 3.46Å; I191-I195 VanDerWaalsContact O-CG1 3.23Å; I191-I195 WeakPolarHBondContact O-CG1 3.34Å; I191-I195 PolarHBondContact O-N 3.41Å
192W54.3Low57.1Low18 Ų1846.5 Ų46.57%0.06822%0.22CC..Hα-helixtrans-65.9-42.3176.7-80.4116.1000113.7T188 I189 E190 F194 I195 G196 F553 T557 L560 F592T188-W192 VanDerWaalsContact CG2-NE1 3.28Å; T188-W192 WeakPolarHBondContact O-CB 3.48Å; T188-W192 PolarHBondContact O-N 2.85Å; I189-W192 PolarHBondContact O-N 3.27Å; E190-W192 VanDerWaalsContact C-N 3.25Å; E190-W192 PolarHBondContact O-N 3.24Å; W192-F194 VanDerWaalsContact C-N 3.32Å; W192-I195 PolarHBondContact O-N 2.79Å; W192-G196 PolarHBondContact O-N 3.37Å; W192-F553 AromaticContact NE1-CZ 3.92Å; W192-T557 HydrophobicContact CH2-CG2 3.66Å; W192-T557 HydrophobicContact CZ2-CG2 3.67Å; W192-L560 HydrophobicContact CB-CD1 4.08Å; W192-L560 HydrophobicContact CD2-CD1 4.21Å; W192-L560 HydrophobicContact CE3-CB 3.9Å; W192-L560 HydrophobicContact CE3-CD1 3.47Å; W192-L560 VanDerWaalsContact CE3-CD1 3.47Å; W192-L560 HydrophobicContact CE3-CG 4.31Å; W192-L560 HydrophobicContact CG-CD1 4.49Å; W192-L560 HydrophobicContact CZ3-CB 3.56Å; W192-L560 HydrophobicContact CZ3-CD1 4.03Å; W192-L560 HydrophobicContact CZ3-CG 4.44Å; W192-F592 HydrophobicContact CE3-CE2 4.07Å; W192-F592 AromaticContact CH2-CD2 3.56Å; W192-F592 HydrophobicContact CH2-CD2 3.56Å; W192-F592 HydrophobicContact CH2-CE1 4.06Å; W192-F592 AromaticContact CH2-CE2 2.85Å; W192-F592 HydrophobicContact CH2-CE2 2.85Å; W192-F592 HydrophobicContact CH2-CG 4.44Å; W192-F592 AromaticContact CH2-CZ 3.1Å; W192-F592 HydrophobicContact CH2-CZ 3.1Å; W192-F592 AromaticContact CZ2-CD2 3.9Å; W192-F592 HydrophobicContact CZ2-CD2 3.9Å; W192-F592 AromaticContact CZ2-CE2 3.65Å; W192-F592 HydrophobicContact CZ2-CE2 3.65Å; W192-F592 AromaticContact CZ2-CZ 3.99Å; W192-F592 HydrophobicContact CZ2-CZ 3.99Å; W192-F592 AromaticContact CZ3-CD2 3.9Å; W192-F592 HydrophobicContact CZ3-CD2 3.9Å; W192-F592 AromaticContact CZ3-CE2 3.08Å; W192-F592 HydrophobicContact CZ3-CE2 3.08Å; W192-F592 AromaticContact CZ3-CZ 3.66Å; W192-F592 HydrophobicContact CZ3-CZ 3.66Å
193G57.6Low58Low6 Ų645.3 Ų45.36%0.06221%0.21CC..Hα-helixtrans-62.6-41.5173.600000112.9I189 E190 G196 R197I189-G193 PolarHBondContact O-N 3.43Å; E190-G193 PolarHBondContact O-N 3.42Å; G193-G196 PolarHBondContact O-N 2.9Å; G193-R197 WeakPolarHBondContact O-CB 3.4Å; G193-R197 PolarHBondContact O-N 3.29Å
194F60.1Low58.9Low135 Ų13544.3 Ų44.359%0.59221%0.205SC*.Hα-helixtrans-62.3-48.7175.4178.8-95000111.3E190 I191 W192 R197 W198E190-F194 WeakPolarHBondContact O-CB 3.28Å; E190-F194 PolarHBondContact O-N 3.28Å; I191-F194 PolarHBondContact O-N 3.35Å; W192-F194 VanDerWaalsContact C-N 3.32Å; F194-R197 PolarHBondContact O-N 3.44Å; F194-W198 VanDerWaalsContact O-CB 3.27Å; F194-W198 WeakPolarHBondContact O-CB 3.45Å; F194-W198 PolarHBondContact O-N 3.17Å
195I54.7Low59.7Low40 Ų4046.8 Ų46.821%0.20522%0.218CC..Hα-helixtrans-60.6-50.3176.1-69.8168.5000109.7I191 W192 R197 W198 L199I191-I195 HydrophobicContact CG2-CD1 3.69Å; I191-I195 HydrophobicContact CG2-CG1 4.35Å; I191-I195 WeakPolarHBondContact O-CB 3.46Å; I191-I195 VanDerWaalsContact O-CG1 3.23Å; I191-I195 WeakPolarHBondContact O-CG1 3.34Å; I191-I195 PolarHBondContact O-N 3.41Å; W192-I195 PolarHBondContact O-N 2.79Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 3.48Å; I195-W198 CarbonylContact O-C 3.52Å; I195-W198 WeakPolarHBondContact O-CB 3.43Å; I195-W198 PolarHBondContact O-N 3.33Å; I195-W198 VanDerWaalsContact O-N 3.13Å; I195-L199 HydrophobicContact CG2-CD1 3.91Å; I195-L199 HydrophobicContact CG2-CG 4.04Å; I195-L199 VanDerWaalsContact O-CG 3.26Å; I195-L199 WeakPolarHBondContact O-CG 3.45Å; I195-L199 PolarHBondContact O-N 3Å
196G58.4Low60.7Low0 Ų047.7 Ų47.70%022%0.22CC..Hα-helixtrans-56.7-44.5-179.300000112.8W192 G193 L199 I200W192-G196 PolarHBondContact O-N 3.37Å; G193-G196 PolarHBondContact O-N 2.9Å; G196-L199 PolarHBondContact O-N 3.33Å; G196-I200 WeakPolarHBondContact O-CG1 3.45Å; G196-I200 PolarHBondContact O-N 2.78Å; G196-I200 VanDerWaalsContact O-N 3.08Å
197R63.1Low61.5Low154 Ų15447.3 Ų47.358%0.58122%0.219SC*.Hα-helixtrans-63.8-46.3174.4-170.6171.6-175173.5-0.2112.1G193 F194 I195 L199 I200 D201G193-R197 WeakPolarHBondContact O-CB 3.4Å; G193-R197 PolarHBondContact O-N 3.29Å; F194-R197 PolarHBondContact O-N 3.44Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 3.48Å; R197-L199 VanDerWaalsContact C-N 3.3Å; R197-L199 PolarHBondContact O-N 3.24Å; R197-I200 WeakPolarHBondContact O-CB 3.41Å; R197-I200 PolarHBondContact O-N 2.99Å; R197-I200 VanDerWaalsContact O-N 3.16Å; R197-D201 PolarHBondContact O-N 3.44Å
198W62.8Low62.4Low70 Ų7045.5 Ų45.527%0.26521%0.212SC..Hα-helixtrans-60-38.7176.9-178.669.4000112.6F194 I195 D201 I202 I585F194-W198 VanDerWaalsContact O-CB 3.27Å; F194-W198 WeakPolarHBondContact O-CB 3.45Å; F194-W198 PolarHBondContact O-N 3.17Å; I195-W198 CarbonylContact O-C 3.52Å; I195-W198 WeakPolarHBondContact O-CB 3.43Å; I195-W198 PolarHBondContact O-N 3.33Å; I195-W198 VanDerWaalsContact O-N 3.13Å; W198-D201 PolarHBondContact O-N 2.68Å; W198-I202 HydrophobicContact CD2-CD1 3.74Å; W198-I202 HydrophobicContact CE3-CD1 3.83Å; W198-I202 HydrophobicContact CH2-CD1 3.56Å; W198-I202 HydrophobicContact CZ2-CD1 3.47Å; W198-I202 VanDerWaalsContact CZ2-CD1 3.47Å; W198-I202 HydrophobicContact CZ3-CD1 3.74Å; W198-I202 WeakPolarHBondContact O-CG1 3.37Å; W198-I202 PolarHBondContact O-N 3.48Å; W198-I585 HydrophobicContact CH2-CD1 4.43Å; W198-I585 HydrophobicContact CH2-CG1 4.26Å
199L58.6Low63.5Low18 Ų1847.8 Ų47.89%0.09423%0.225CC..Hα-helixtrans-66.4-40.2175.4-66.4-180000111.9I195 G196 R197 I202 F203 L563 M567I195-L199 HydrophobicContact CG2-CD1 3.91Å; I195-L199 HydrophobicContact CG2-CG 4.04Å; I195-L199 VanDerWaalsContact O-CG 3.26Å; I195-L199 WeakPolarHBondContact O-CG 3.45Å; I195-L199 PolarHBondContact O-N 3Å; G196-L199 PolarHBondContact O-N 3.33Å; R197-L199 VanDerWaalsContact C-N 3.3Å; R197-L199 PolarHBondContact O-N 3.24Å; L199-I202 PolarHBondContact O-N 3.23Å; L199-F203 WeakPolarHBondContact O-CD2 3.23Å; L199-F203 PolarHBondContact O-N 3.27Å; L199-L563 HydrophobicContact CB-CD2 4.27Å; L199-L563 HydrophobicContact CD1-CD2 4.29Å; L199-M567 HydrophobicContact CB-CE 3.84Å; L199-M567 HydrophobicContact CB-SD 3.52Å; L199-M567 VanDerWaalsContact CB-SD 3.52Å; L199-M567 HydrophobicContact CD1-SD 3.69Å; L199-M567 HydrophobicContact CD2-CE 3.28Å; L199-M567 HydrophobicContact CD2-SD 3.36Å; L199-M567 WeakPolarHBondContact CD2-SD 3.32Å; L199-M567 HydrophobicContact CG-CE 4Å; L199-M567 HydrophobicContact CG-SD 3.62Å
200I64.9Low64.6Low4 Ų447.9 Ų47.92%0.02123%0.226CC..Hα-helixtrans-63-43.5174.8-71169.5000110.7G196 R197 I202 F203 K204 Y512 R515 N516 I519G196-I200 WeakPolarHBondContact O-CG1 3.45Å; G196-I200 PolarHBondContact O-N 2.78Å; G196-I200 VanDerWaalsContact O-N 3.08Å; R197-I200 WeakPolarHBondContact O-CB 3.41Å; R197-I200 PolarHBondContact O-N 2.99Å; R197-I200 VanDerWaalsContact O-N 3.16Å; I200-I202 VanDerWaalsContact C-N 3.32Å; I200-I202 PolarHBondContact O-N 2.85Å; I200-F203 PolarHBondContact O-N 2.97Å; I200-K204 PolarHBondContact O-N 3.39Å; I200-Y512 HydrophobicContact CG2-CD2 3.28Å; I200-Y512 HydrophobicContact CG2-CE2 3.57Å; I200-Y512 HydrophobicContact CG2-CG 4.29Å; I200-R515 HydrophobicContact CD1-CB 3.61Å; I200-R515 HydrophobicContact CG1-CB 4.17Å; I200-N516 WeakPolarHBondContact CD1-OD1 3.35Å; I200-I519 HydrophobicContact CD1-CD1 3.33Å; I200-I519 HydrophobicContact CD1-CG1 4.04Å; I200-I519 HydrophobicContact CG1-CD1 4.26Å
201D65.7Low65.4Low54 Ų5445.4 Ų45.429%0.28922%0.215SC..Hα-helixtrans-60.4-41.8176.2-67.9-27.9000111.3R197 W198 F203 K204 L205 Y512R197-D201 PolarHBondContact O-N 3.44Å; W198-D201 PolarHBondContact O-N 2.68Å; D201-F203 PolarHBondContact O-N 3.43Å; D201-K204 PolarHBondContact O-N 2.95Å; D201-L205 WeakPolarHBondContact O-CB 3.41Å; D201-L205 WeakPolarHBondContact O-CG 3.2Å; D201-L205 PolarHBondContact O-N 2.91Å; D201-Y512 WeakPolarHBondContact OD1-CE2 3.22Å; D201-Y512 PolarHBondContact OD1-OH 3.02Å; D201-Y512 VanDerWaalsContact OD1-OH 3.07Å
202I63.3Low66.6Low30 Ų3044.6 Ų44.615%0.15421%0.211CC..Hα-helixtrans-61.2-43.9175.2-73169.5000111.6W198 L199 I200 L205 Y206 M567 I578W198-I202 HydrophobicContact CD2-CD1 3.74Å; W198-I202 HydrophobicContact CE3-CD1 3.83Å; W198-I202 HydrophobicContact CH2-CD1 3.56Å; W198-I202 HydrophobicContact CZ2-CD1 3.47Å; W198-I202 VanDerWaalsContact CZ2-CD1 3.47Å; W198-I202 HydrophobicContact CZ3-CD1 3.74Å; W198-I202 WeakPolarHBondContact O-CG1 3.37Å; W198-I202 PolarHBondContact O-N 3.48Å; L199-I202 PolarHBondContact O-N 3.23Å; I200-I202 VanDerWaalsContact C-N 3.32Å; I200-I202 PolarHBondContact O-N 2.85Å; I202-L205 PolarHBondContact O-N 3.46Å; I202-Y206 WeakPolarHBondContact O-CB 3.47Å; I202-Y206 PolarHBondContact O-N 2.81Å; I202-M567 HydrophobicContact CB-CE 4.25Å; I202-M567 HydrophobicContact CG2-CE 4Å; I202-I578 HydrophobicContact CG2-CD1 4.22Å
203F66.5Low67.9Low14 Ų1448.4 Ų48.46%0.06123%0.23CC..Hα-helixtrans-64.5-43.4177.5-82-54.1000112.4L199 I200 D201 L205 Y206 D207 S321 L563 M567L199-F203 WeakPolarHBondContact O-CD2 3.23Å; L199-F203 PolarHBondContact O-N 3.27Å; I200-F203 PolarHBondContact O-N 2.97Å; D201-F203 PolarHBondContact O-N 3.43Å; F203-L205 VanDerWaalsContact C-N 3.31Å; F203-L205 PolarHBondContact O-N 2.9Å; F203-Y206 PolarHBondContact O-N 2.86Å; F203-D207 PolarHBondContact O-N 3.37Å; F203-S321 VanDerWaalsContact CD1-OG 3.28Å; F203-S321 WeakPolarHBondContact CD1-OG 3.34Å; F203-L563 HydrophobicContact CD2-CD1 4.46Å; F203-L563 HydrophobicContact CE2-CD1 3.67Å; F203-L563 HydrophobicContact CE2-CG 4.03Å; F203-L563 HydrophobicContact CZ-CD1 4.49Å; F203-M567 HydrophobicContact CD2-CG 4.43Å; F203-M567 HydrophobicContact CD2-SD 4.27Å; F203-M567 HydrophobicContact CE1-CG 3.92Å; F203-M567 HydrophobicContact CE2-CE 4.27Å; F203-M567 HydrophobicContact CE2-CG 3.39Å; F203-M567 HydrophobicContact CE2-SD 3.57Å; F203-M567 VanDerWaalsContact CE2-SD 3.57Å; F203-M567 HydrophobicContact CZ-CB 4.37Å; F203-M567 HydrophobicContact CZ-CG 3.1Å; F203-M567 HydrophobicContact CZ-SD 3.95Å
204K71Confident69.1Low45 Ų4548.1 Ų48.120%0.19623%0.227CC..Hα-helixtrans-57-47.9174.1175.8175.6172172.60110.5I200 D201 D207 L208 E509 Y512I200-K204 PolarHBondContact O-N 3.39Å; D201-K204 PolarHBondContact O-N 2.95Å; K204-D207 PolarHBondContact O-N 2.89Å; K204-L208 HydrophobicContact CG-CD1 3.78Å; K204-L208 HydrophobicContact CG-CG 4.39Å; K204-L208 VanDerWaalsContact O-CB 3.29Å; K204-L208 WeakPolarHBondContact O-CB 3.42Å; K204-L208 WeakPolarHBondContact O-CG 3.36Å; K204-L208 PolarHBondContact O-N 3.43Å; K204-E509 WeakPolarHBondContact CE-OE2 3.4Å; K204-E509 IonicContact NZ-OE1 3.46Å; K204-E509 PolarHBondContact NZ-OE1 3.31Å; K204-E509 IonicContact NZ-OE2 3.62Å; K204-E509 PolarHBondContact NZ-OE2 2.95Å; K204-Y512 HydrophobicContact CB-CD2 3.79Å; K204-Y512 HydrophobicContact CB-CE2 4.34Å; K204-Y512 HydrophobicContact CB-CG 4.41Å; K204-Y512 HydrophobicContact CD-CD1 3.94Å; K204-Y512 HydrophobicContact CD-CD2 3.57Å; K204-Y512 HydrophobicContact CD-CE1 4.15Å; K204-Y512 HydrophobicContact CD-CE2 3.81Å; K204-Y512 HydrophobicContact CD-CG 3.66Å; K204-Y512 HydrophobicContact CG-CD2 4.24Å; K204-Y512 HydrophobicContact CG-CG 4.48Å
205L68.5Low70.1Confident110 Ų11043.7 Ų43.758%0.57621%0.209SC*.Hα-helixtrans-61.5-44.6177.1-72.9171.5000111.8D201 I202 F203 L208 T209D201-L205 WeakPolarHBondContact O-CB 3.41Å; D201-L205 WeakPolarHBondContact O-CG 3.2Å; D201-L205 PolarHBondContact O-N 2.91Å; I202-L205 PolarHBondContact O-N 3.46Å; F203-L205 VanDerWaalsContact C-N 3.31Å; F203-L205 PolarHBondContact O-N 2.9Å; L205-L208 PolarHBondContact O-N 3.42Å; L205-T209 VanDerWaalsContact O-CG2 3.27Å; L205-T209 WeakPolarHBondContact O-CG2 3.49Å; L205-T209 PolarHBondContact O-N 3.01Å; L205-T209 PolarHBondContact O-OG1 3.24Å
206Y71Confident71.5Confident39 Ų3948.3 Ų48.315%0.15323%0.228CC..Hα-helixtrans-60.8-48.5178.5177.5-109.3000112.1I202 F203 T209 I210 Q319 K574 I576I202-Y206 WeakPolarHBondContact O-CB 3.47Å; I202-Y206 PolarHBondContact O-N 2.81Å; F203-Y206 PolarHBondContact O-N 2.86Å; Y206-T209 VanDerWaalsContact C-OG1 3.32Å; Y206-T209 WeakPolarHBondContact CA-OG1 3.37Å; Y206-T209 PolarHBondContact O-N 3.47Å; Y206-T209 VanDerWaalsContact O-N 3.14Å; Y206-T209 PolarHBondContact O-OG1 3.22Å; Y206-I210 HydrophobicContact CD1-CD1 3.9Å; Y206-I210 HydrophobicContact CE1-CD1 3.33Å; Y206-I210 HydrophobicContact CE1-CG1 4.4Å; Y206-I210 HydrophobicContact CE2-CD1 4.07Å; Y206-I210 HydrophobicContact CE2-CG1 4.4Å; Y206-I210 VanDerWaalsContact CZ-CD1 3.43Å; Y206-I210 PolarHBondContact O-N 3.46Å; Y206-Q319 WeakPolarHBondContact CE1-O 3.32Å; Y206-K574 WeakPolarHBondContact OH-CD 3.49Å; Y206-K574 PolarHBondContact OH-NZ 3.07Å; Y206-K574 VanDerWaalsContact OH-NZ 3.16Å; Y206-I576 HydrophobicContact CD2-CD1 4.11Å; Y206-I576 HydrophobicContact CE2-CD1 3.32Å; Y206-I576 HydrophobicContact CE2-CG1 4.17Å
207D73.4Confident72.7Confident0 Ų049.9 Ų49.90%024%0.236CC..Hα-helixtrans-69.3-36.8179.8-69.3-47.1000112.7F203 K204 T209 I210 L211 S320 S321 H322 I508F203-D207 PolarHBondContact O-N 3.37Å; K204-D207 PolarHBondContact O-N 2.89Å; D207-T209 VanDerWaalsContact C-N 3.29Å; D207-T209 PolarHBondContact O-N 3.32Å; D207-I210 PolarHBondContact O-N 3.1Å; D207-L211 WeakPolarHBondContact O-CB 3.4Å; D207-L211 WeakPolarHBondContact O-CG 3.04Å; D207-L211 PolarHBondContact O-N 2.87Å; D207-S320 VanDerWaalsContact CG-OG 3.23Å; D207-S320 WeakPolarHBondContact OD1-CA 3.32Å; D207-S320 WeakPolarHBondContact OD1-CB 3.31Å; D207-S320 PolarHBondContact OD1-OG 3.23Å; D207-S321 PolarHBondContact OD1-N 3.26Å; D207-S321 PolarHBondContact OD2-OG 3.14Å; D207-H322 IonicContact OD2-CE1 3.64Å; D207-H322 PolarHBondContact OD2-CE1 2.94Å; D207-H322 IonicContact OD2-CG 2.7Å; D207-H322 IonicContact OD2-ND1 3.93Å; D207-H322 PolarHBondContact OD2-ND1 3.46Å; D207-I508 HydrophobicContact CB-CD1 3.8Å; D207-I508 HydrophobicContact CB-CG1 4.27Å; D207-I508 HydrophobicContact CB-CG2 4.28Å
208L75.6Confident73.6Confident47 Ų4743.2 Ų43.225%0.24621%0.212CC..Hα-helixtrans-62.9-37.9170.7-72.8172.8000111.3K204 L205 L211 N212K204-L208 HydrophobicContact CG-CD1 3.78Å; K204-L208 HydrophobicContact CG-CG 4.39Å; K204-L208 VanDerWaalsContact O-CB 3.29Å; K204-L208 WeakPolarHBondContact O-CB 3.42Å; K204-L208 WeakPolarHBondContact O-CG 3.36Å; K204-L208 PolarHBondContact O-N 3.43Å; L205-L208 PolarHBondContact O-N 3.42Å; L208-L211 PolarHBondContact O-N 2.61Å; L208-N212 VanDerWaalsContact O-CB 3.25Å; L208-N212 WeakPolarHBondContact O-CB 3.5Å; L208-N212 PolarHBondContact O-N 2.91Å; L208-N212 PolarHBondContact O-ND2 3.07Å
209T75.7Confident74.3Confident72 Ų7244.5 Ų44.544%0.44222%0.223SC..Hα-helixtrans-66-40.7174.955.30000112.5L205 Y206 D207 N212 Q213L205-T209 VanDerWaalsContact O-CG2 3.27Å; L205-T209 WeakPolarHBondContact O-CG2 3.49Å; L205-T209 PolarHBondContact O-N 3.01Å; L205-T209 PolarHBondContact O-OG1 3.24Å; Y206-T209 VanDerWaalsContact C-OG1 3.32Å; Y206-T209 WeakPolarHBondContact CA-OG1 3.37Å; Y206-T209 PolarHBondContact O-N 3.47Å; Y206-T209 VanDerWaalsContact O-N 3.14Å; Y206-T209 PolarHBondContact O-OG1 3.22Å; D207-T209 VanDerWaalsContact C-N 3.29Å; D207-T209 PolarHBondContact O-N 3.32Å; T209-N212 PolarHBondContact O-N 3.32Å; T209-Q213 VanDerWaalsContact O-CG 3.32Å; T209-Q213 WeakPolarHBondContact O-CG 3.17Å; T209-Q213 PolarHBondContact O-N 3.16Å
210I76.2Confident75.4Confident4 Ų450.2 Ų50.22%0.02125%0.247CC..Hα-helixtrans-60.5-51.5173-73.5171000110.3Y206 D207 N212 Q213 I214 L316 Q319Y206-I210 HydrophobicContact CD1-CD1 3.9Å; Y206-I210 HydrophobicContact CE1-CD1 3.33Å; Y206-I210 HydrophobicContact CE1-CG1 4.4Å; Y206-I210 HydrophobicContact CE2-CD1 4.07Å; Y206-I210 HydrophobicContact CE2-CG1 4.4Å; Y206-I210 VanDerWaalsContact CZ-CD1 3.43Å; Y206-I210 PolarHBondContact O-N 3.46Å; D207-I210 PolarHBondContact O-N 3.1Å; I210-N212 VanDerWaalsContact C-N 3.27Å; I210-N212 PolarHBondContact O-N 3.06Å; I210-Q213 WeakPolarHBondContact O-CA 3.39Å; I210-Q213 WeakPolarHBondContact O-CB 3.35Å; I210-Q213 PolarHBondContact O-N 3.12Å; I210-I214 HydrophobicContact CG2-CD1 3.7Å; I210-I214 HydrophobicContact CG2-CG1 4.38Å; I210-I214 WeakPolarHBondContact O-CG1 3.36Å; I210-I214 PolarHBondContact O-N 2.89Å; I210-L316 WeakPolarHBondContact CG2-O 3.45Å; I210-Q319 HydrophobicContact CD1-CB 4.28Å
211L78.5Confident76.3Confident2 Ų254 Ų541%0.0127%0.268CS..Hα-helixtrans-61.7-37.5-179.3-74.7-176.6000111.9D207 L208 Q213 I214 D215 F317 L501 M504 K505 I508D207-L211 WeakPolarHBondContact O-CB 3.4Å; D207-L211 WeakPolarHBondContact O-CG 3.04Å; D207-L211 PolarHBondContact O-N 2.87Å; L208-L211 PolarHBondContact O-N 2.61Å; L211-Q213 VanDerWaalsContact C-N 3.34Å; L211-I214 HydrophobicContact CD2-CD1 4.32Å; L211-I214 PolarHBondContact O-N 3.27Å; L211-D215 WeakPolarHBondContact O-CB 3.46Å; L211-D215 PolarHBondContact O-N 3.32Å; L211-F317 HydrophobicContact CD2-CD2 4.39Å; L211-L501 HydrophobicContact CD2-CD2 4.48Å; L211-M504 HydrophobicContact CD1-CB 4.18Å; L211-M504 HydrophobicContact CD2-CB 4.18Å; L211-K505 HydrophobicContact CD1-CB 4.45Å; L211-K505 HydrophobicContact CD1-CG 3.69Å; L211-I508 HydrophobicContact CD1-CD1 3.3Å; L211-I508 HydrophobicContact CG-CD1 4.11Å
212N78.5Confident77.2Confident74 Ų7451.7 Ų51.740%0.39626%0.255SS..Hα-helixtrans-69.6-30.5174.9-71-20.1000112.7L208 T209 I210 K216L208-N212 VanDerWaalsContact O-CB 3.25Å; L208-N212 WeakPolarHBondContact O-CB 3.5Å; L208-N212 PolarHBondContact O-N 2.91Å; L208-N212 PolarHBondContact O-ND2 3.07Å; T209-N212 PolarHBondContact O-N 3.32Å; I210-N212 VanDerWaalsContact C-N 3.27Å; I210-N212 PolarHBondContact O-N 3.06Å; N212-K216 VanDerWaalsContact O-CG 3.3Å; N212-K216 WeakPolarHBondContact O-CG 3.38Å; N212-K216 PolarHBondContact O-N 3.44Å; N212-K216 VanDerWaalsContact O-N 3.17Å
213Q81.9Confident78.1Confident99 Ų9953.8 Ų53.846%0.46326%0.261SS..Hα-helixtrans-68.7-44.7171.2-75.8175-6.400111.1T209 I210 L211 K216 I217T209-Q213 VanDerWaalsContact O-CG 3.32Å; T209-Q213 WeakPolarHBondContact O-CG 3.17Å; T209-Q213 PolarHBondContact O-N 3.16Å; I210-Q213 WeakPolarHBondContact O-CA 3.39Å; I210-Q213 WeakPolarHBondContact O-CB 3.35Å; I210-Q213 PolarHBondContact O-N 3.12Å; L211-Q213 VanDerWaalsContact C-N 3.34Å; Q213-K216 WeakPolarHBondContact O-CB 3.5Å; Q213-K216 PolarHBondContact O-N 3.3Å; Q213-I217 WeakPolarHBondContact O-CG1 3.4Å; Q213-I217 PolarHBondContact O-N 2.97Å
214I82.8Confident78.8Confident0 Ų058.1 Ų58.10%028%0.284CS..Hα-helixtrans-58.5-49.1174.9-69167.6000110.1I210 L211 K216 I217 I218 W313 L316 F317 W500 L501I210-I214 HydrophobicContact CG2-CD1 3.7Å; I210-I214 HydrophobicContact CG2-CG1 4.38Å; I210-I214 WeakPolarHBondContact O-CG1 3.36Å; I210-I214 PolarHBondContact O-N 2.89Å; L211-I214 HydrophobicContact CD2-CD1 4.32Å; L211-I214 PolarHBondContact O-N 3.27Å; I214-K216 VanDerWaalsContact C-N 3.26Å; I214-K216 PolarHBondContact O-N 3.01Å; I214-I217 PolarHBondContact O-N 2.84Å; I214-I217 VanDerWaalsContact O-N 3.08Å; I214-I218 HydrophobicContact CG2-CD1 3.66Å; I214-I218 HydrophobicContact CG2-CG1 4.33Å; I214-I218 WeakPolarHBondContact O-CD1 3.49Å; I214-I218 WeakPolarHBondContact O-CG1 3.43Å; I214-I218 PolarHBondContact O-N 3.2Å; I214-W313 HydrophobicContact CG1-CB 4.48Å; I214-W313 HydrophobicContact CG2-CB 4.27Å; I214-W313 HydrophobicContact CG2-CE3 4Å; I214-L316 HydrophobicContact CD1-CB 4.1Å; I214-L316 HydrophobicContact CG1-CB 3.88Å; I214-L316 HydrophobicContact CG1-CD1 4.37Å; I214-F317 HydrophobicContact CD1-CB 3.83Å; I214-W500 HydrophobicContact CG2-CZ3 4.41Å; I214-L501 HydrophobicContact CG2-CD2 4.04Å
215D82Confident79.4Confident42 Ų4257.5 Ų57.523%0.22528%0.283CS..Hα-helixtrans-54.6-42.6177.4-156.53.7000111.5L211 I218 L219 L501 K505L211-D215 WeakPolarHBondContact O-CB 3.46Å; L211-D215 PolarHBondContact O-N 3.32Å; D215-I218 PolarHBondContact O-N 2.95Å; D215-L219 WeakPolarHBondContact O-CB 3.32Å; D215-L219 WeakPolarHBondContact O-CG 3.14Å; D215-L219 PolarHBondContact O-N 2.86Å; D215-L501 HydrophobicContact CB-CD1 4.47Å; D215-K505 IonicContact OD2-NZ 2.66Å; D215-K505 PolarHBondContact OD2-NZ 3.08Å
216K82.4Confident80.1Confident136 Ų13652.4 Ų52.459%0.59126%0.256SS*.Hα-helixtrans-65.3-44.5175.1-74.9174-177.8-179.50113.1N212 Q213 I214 I218 L219 K220N212-K216 VanDerWaalsContact O-CG 3.3Å; N212-K216 WeakPolarHBondContact O-CG 3.38Å; N212-K216 PolarHBondContact O-N 3.44Å; N212-K216 VanDerWaalsContact O-N 3.17Å; Q213-K216 WeakPolarHBondContact O-CB 3.5Å; Q213-K216 PolarHBondContact O-N 3.3Å; I214-K216 VanDerWaalsContact C-N 3.26Å; I214-K216 PolarHBondContact O-N 3.01Å; K216-I218 VanDerWaalsContact C-N 3.29Å; K216-I218 PolarHBondContact O-N 3.12Å; K216-L219 PolarHBondContact O-N 2.72Å; K216-K220 VanDerWaalsContact O-CB 3.29Å; K216-K220 WeakPolarHBondContact O-CB 3.48Å; K216-K220 PolarHBondContact O-N 3.45Å
217I84.2Confident80.5Confident34 Ų3453.8 Ų53.817%0.17426%0.264CS..Hα-helixtrans-62.2-40.2178.1-69.3164.9000110.2Q213 I214 D221 W222 I309 W313 L316Q213-I217 WeakPolarHBondContact O-CG1 3.4Å; Q213-I217 PolarHBondContact O-N 2.97Å; I214-I217 PolarHBondContact O-N 2.84Å; I214-I217 VanDerWaalsContact O-N 3.08Å; I217-D221 WeakPolarHBondContact O-CA 3.42Å; I217-D221 WeakPolarHBondContact O-CB 3.4Å; I217-D221 PolarHBondContact O-N 3.41Å; I217-W222 PolarHBondContact O-N 2.86Å; I217-I309 HydrophobicContact CG2-CG2 3.65Å; I217-W313 HydrophobicContact CG2-CB 4.45Å; I217-L316 HydrophobicContact CD1-CD1 3.3Å
218I82.3Confident81Confident13 Ų1355.9 Ų55.97%0.06728%0.278CS..Iπ-helixtrans-62.6-53.7177.5-65.5162.2000110.9I214 D215 K216 Y223 W313 I497 L501I214-I218 HydrophobicContact CG2-CD1 3.66Å; I214-I218 HydrophobicContact CG2-CG1 4.33Å; I214-I218 WeakPolarHBondContact O-CD1 3.49Å; I214-I218 WeakPolarHBondContact O-CG1 3.43Å; I214-I218 PolarHBondContact O-N 3.2Å; D215-I218 PolarHBondContact O-N 2.95Å; K216-I218 VanDerWaalsContact C-N 3.29Å; K216-I218 PolarHBondContact O-N 3.12Å; I218-Y223 WeakPolarHBondContact O-CB 3.26Å; I218-Y223 PolarHBondContact O-N 3.43Å; I218-W313 HydrophobicContact CB-CZ3 4.47Å; I218-W313 HydrophobicContact CD1-CE3 3.34Å; I218-W313 HydrophobicContact CD1-CZ3 3.26Å; I218-W313 HydrophobicContact CG1-CD2 4.35Å; I218-W313 HydrophobicContact CG1-CE3 3.11Å; I218-W313 HydrophobicContact CG1-CH2 4.46Å; I218-W313 HydrophobicContact CG1-CZ3 3.19Å; I218-I497 HydrophobicContact CD1-CG2 3.81Å; I218-I497 HydrophobicContact CG1-CG2 4.47Å; I218-I497 HydrophobicContact CG2-CG2 4.01Å; I218-L501 HydrophobicContact CD1-CD1 3.67Å; I218-L501 HydrophobicContact CD1-CD2 4.24Å; I218-L501 HydrophobicContact CD1-CG 4.19Å
219L78.2Confident81.4Confident97 Ų9753.7 Ų53.751%0.50827%0.267SS..Iπ-helixtrans-69.3-40.9-173.1-75.2166.8000112D215 K216D215-L219 WeakPolarHBondContact O-CB 3.32Å; D215-L219 WeakPolarHBondContact O-CG 3.14Å; D215-L219 PolarHBondContact O-N 2.86Å; K216-L219 PolarHBondContact O-N 2.72Å
220K81Confident81.5Confident139 Ų13952.3 Ų52.360%0.60426%0.255SS*.Iπ-helixtrans-90.7-42.4-173.4-66-170.1173.3-168.80113.6K216 I224K216-K220 VanDerWaalsContact O-CB 3.29Å; K216-K220 WeakPolarHBondContact O-CB 3.48Å; K216-K220 PolarHBondContact O-N 3.45Å; K220-I224 WeakPolarHBondContact O-CB 3.29Å; K220-I224 WeakPolarHBondContact O-CD1 3.24Å; K220-I224 VanDerWaalsContact O-CG1 3.3Å; K220-I224 WeakPolarHBondContact O-CG1 3.37Å
221D83.3Confident81.8Confident84 Ų8457.6 Ų57.645%0.44928%0.278SS..Iπ-helixtrans-101.3-53.4-170-54-33.2000110.4I217 L225 I309I217-D221 WeakPolarHBondContact O-CA 3.42Å; I217-D221 WeakPolarHBondContact O-CB 3.4Å; I217-D221 PolarHBondContact O-N 3.41Å; D221-L225 WeakPolarHBondContact O-CB 2.93Å; D221-L225 PolarHBondContact O-N 3.17Å; D221-L225 VanDerWaalsContact O-N 3.15Å; D221-I309 HydrophobicContact CB-CD1 4.07Å
222W85Confident81.9Confident4 Ų459.9 Ų59.92%0.01529%0.29CS..Iπ-helixtrans-67.5-51.5-174.7-172.392000112.3I217 L225 Y226 L306 I309 Q310 L346 M349 I497I217-W222 PolarHBondContact O-N 2.86Å; W222-L225 PolarHBondContact O-N 3.15Å; W222-Y226 HydrophobicContact CH2-CD2 4.4Å; W222-Y226 HydrophobicContact CH2-CG 4.33Å; W222-Y226 HydrophobicContact CZ2-CD2 4.42Å; W222-Y226 VanDerWaalsContact O-CB 3.23Å; W222-Y226 WeakPolarHBondContact O-CB 3.41Å; W222-Y226 PolarHBondContact O-N 3.39Å; W222-L306 HydrophobicContact CG-CD2 4.3Å; W222-I309 HydrophobicContact CB-CG2 3.98Å; W222-I309 HydrophobicContact CG-CG2 4.49Å; W222-Q310 VanDerWaalsContact NE1-CG 3.31Å; W222-L346 HydrophobicContact CH2-CD2 4.38Å; W222-L346 HydrophobicContact CZ2-CD2 3.85Å; W222-M349 HydrophobicContact CH2-SD 4.4Å; W222-M349 HydrophobicContact CZ2-CE 3.83Å; W222-M349 HydrophobicContact CZ2-SD 4.2Å; W222-I497 HydrophobicContact CE3-CD1 4.34Å; W222-I497 HydrophobicContact CH2-CD1 3.77Å; W222-I497 HydrophobicContact CZ2-CD1 4.15Å; W222-I497 HydrophobicContact CZ3-CD1 3.86Å
223Y82Confident82Confident75 Ų7556.7 Ų56.729%0.29427%0.273SS..Hα-helixtrans-66.3-44.4-174-179.4-112.8000112.3I218 L225 Y226 E227 Q494I218-Y223 WeakPolarHBondContact O-CB 3.26Å; I218-Y223 PolarHBondContact O-N 3.43Å; Y223-L225 PolarHBondContact O-N 2.76Å; Y223-Y226 PolarHBondContact O-N 3.02Å; Y223-E227 WeakPolarHBondContact O-CB 3.35Å; Y223-E227 PolarHBondContact O-N 3.21Å; Y223-Q494 HydrophobicContact CD2-CG 4.41Å; Y223-Q494 VanDerWaalsContact CD2-NE2 3.31Å; Y223-Q494 HydrophobicContact CE2-CG 4.31Å; Y223-Q494 PolarHBondContact OH-NE2 3.07Å
224I81.5Confident81.9Confident105 Ų10558.7 Ų58.754%0.53828%0.277SS..Hα-helixtrans-64.3-43.3179.1-59.7-173.3000110.6K220 S228K220-I224 WeakPolarHBondContact O-CB 3.29Å; K220-I224 WeakPolarHBondContact O-CD1 3.24Å; K220-I224 VanDerWaalsContact O-CG1 3.3Å; K220-I224 WeakPolarHBondContact O-CG1 3.37Å; I224-S228 WeakPolarHBondContact O-CB 3.49Å; I224-S228 PolarHBondContact O-N 2.97Å
225L83.7Confident81.7Confident32 Ų3262.9 Ų62.917%0.16830%0.299CS..Hα-helixtrans-67-39.5178.3-174.464.5000111.6D221 W222 Y223 M229 K302 K305 L306 I309D221-L225 WeakPolarHBondContact O-CB 2.93Å; D221-L225 PolarHBondContact O-N 3.17Å; D221-L225 VanDerWaalsContact O-N 3.15Å; W222-L225 PolarHBondContact O-N 3.15Å; Y223-L225 PolarHBondContact O-N 2.76Å; L225-M229 VanDerWaalsContact O-CB 3.29Å; L225-M229 WeakPolarHBondContact O-CB 3.44Å; L225-M229 PolarHBondContact O-N 3.1Å; L225-K302 HydrophobicContact CD1-CB 4.13Å; L225-K302 HydrophobicContact CD1-CD 4.39Å; L225-K302 HydrophobicContact CD1-CG 3.97Å; L225-K305 HydrophobicContact CD2-CB 3.63Å; L225-L306 HydrophobicContact CB-CD2 3.94Å; L225-L306 HydrophobicContact CB-CG 4.43Å; L225-L306 HydrophobicContact CD2-CB 4.47Å; L225-L306 HydrophobicContact CD2-CD2 3.81Å; L225-L306 HydrophobicContact CD2-CG 3.65Å; L225-L306 HydrophobicContact CG-CD2 3.91Å; L225-L306 HydrophobicContact CG-CG 3.85Å; L225-I309 HydrophobicContact CD2-CD1 3.77Å
226Y83.1Confident81.6Confident3 Ų361.2 Ų61.21%0.01229%0.29CS..Hα-helixtrans-63.9-49.3176.4-179.1-89.3000111.4W222 Y223 S228 M229 E230 L306 M349 V490W222-Y226 HydrophobicContact CH2-CD2 4.4Å; W222-Y226 HydrophobicContact CH2-CG 4.33Å; W222-Y226 HydrophobicContact CZ2-CD2 4.42Å; W222-Y226 VanDerWaalsContact O-CB 3.23Å; W222-Y226 WeakPolarHBondContact O-CB 3.41Å; W222-Y226 PolarHBondContact O-N 3.39Å; Y223-Y226 PolarHBondContact O-N 3.02Å; Y226-S228 VanDerWaalsContact C-N 3.31Å; Y226-S228 PolarHBondContact O-N 2.98Å; Y226-M229 HydrophobicContact CD2-CE 3.57Å; Y226-M229 HydrophobicContact CE2-CE 3.6Å; Y226-M229 HydrophobicContact CG-CE 4.33Å; Y226-M229 PolarHBondContact O-N 3.3Å; Y226-E230 HydrophobicContact CE1-CB 4.45Å; Y226-E230 VanDerWaalsContact CE1-OE2 3.24Å; Y226-E230 WeakPolarHBondContact CE1-OE2 3.43Å; Y226-E230 WeakPolarHBondContact O-CB 3.32Å; Y226-E230 PolarHBondContact O-N 2.93Å; Y226-E230 PolarHBondContact OH-OE1 3.39Å; Y226-E230 VanDerWaalsContact OH-OE1 3.1Å; Y226-L306 HydrophobicContact CD2-CD1 4.28Å; Y226-M349 HydrophobicContact CD2-CE 3.81Å; Y226-M349 HydrophobicContact CD2-SD 4.02Å; Y226-M349 HydrophobicContact CE2-CE 3.62Å; Y226-M349 HydrophobicContact CE2-CG 4.16Å; Y226-M349 HydrophobicContact CE2-SD 3.36Å; Y226-M349 WeakPolarHBondContact CE2-SD 3.43Å; Y226-V490 HydrophobicContact CD1-CG1 4.39Å; Y226-V490 HydrophobicContact CE1-CB 4.37Å; Y226-V490 HydrophobicContact CE1-CG1 3.71Å; Y226-V490 HydrophobicContact CE1-CG2 3.92Å
227E80.1Confident81.3Confident68 Ų6855.9 Ų55.932%0.31827%0.268SS..Hα-helixtrans-62-39.4178.8-168.6-171.1158.200111.7Y223 K231Y223-E227 WeakPolarHBondContact O-CB 3.35Å; Y223-E227 PolarHBondContact O-N 3.21Å; E227-K231 WeakPolarHBondContact O-CG 3.25Å; E227-K231 PolarHBondContact O-N 3.42Å; E227-K231 VanDerWaalsContact O-N 3.07Å; E227-K231 WeakPolarHBondContact OE1-CE 3.45Å; E227-K231 IonicContact OE1-NZ 3.14Å; E227-K231 PolarHBondContact OE1-NZ 3.38Å
228S83.1Confident81Confident43 Ų4357 Ų5730%0.30127%0.274SS..Hα-helixtrans-64.5-44.3174.3175.10000112.2I224 Y226 E230 K231 D232 K302I224-S228 WeakPolarHBondContact O-CB 3.49Å; I224-S228 PolarHBondContact O-N 2.97Å; Y226-S228 VanDerWaalsContact C-N 3.31Å; Y226-S228 PolarHBondContact O-N 2.98Å; S228-E230 VanDerWaalsContact C-N 3.33Å; S228-K231 PolarHBondContact O-N 2.86Å; S228-D232 PolarHBondContact O-N 3.46Å; S228-D232 VanDerWaalsContact O-N 3.15Å; S228-K302 PolarHBondContact OG-NZ 3.49Å
229M83.4Confident81Confident2 Ų260.3 Ų60.31%0.0129%0.289CS..Hα-helixtrans-63.8-39.9178.7175.5-81.1-59.600111.4L225 Y226 D232 L233 I299 K302 L303 L306 R353L225-M229 VanDerWaalsContact O-CB 3.29Å; L225-M229 WeakPolarHBondContact O-CB 3.44Å; L225-M229 PolarHBondContact O-N 3.1Å; Y226-M229 HydrophobicContact CD2-CE 3.57Å; Y226-M229 HydrophobicContact CE2-CE 3.6Å; Y226-M229 HydrophobicContact CG-CE 4.33Å; Y226-M229 PolarHBondContact O-N 3.3Å; M229-D232 PolarHBondContact O-N 3.19Å; M229-L233 PolarHBondContact O-N 2.98Å; M229-L233 HydrophobicContact SD-CD1 3.37Å; M229-L233 WeakPolarHBondContact SD-CD1 3.25Å; M229-L233 HydrophobicContact SD-CG 4.05Å; M229-I299 HydrophobicContact CG-CG2 4.08Å; M229-K302 HydrophobicContact CB-CB 4.28Å; M229-K302 HydrophobicContact CB-CD 4.32Å; M229-K302 HydrophobicContact CG-CB 4.37Å; M229-L303 HydrophobicContact CE-CD2 3.98Å; M229-L303 HydrophobicContact CG-CD2 4.06Å; M229-L303 HydrophobicContact CG-CG 4.31Å; M229-L303 HydrophobicContact SD-CD2 3.85Å; M229-L306 HydrophobicContact CB-CD1 4.41Å; M229-L306 HydrophobicContact CE-CD1 3.85Å; M229-L306 HydrophobicContact CG-CD1 4.43Å; M229-R353 HydrophobicContact SD-CG 4.47Å
230E79.6Confident81.1Confident43 Ų4355.8 Ų55.820%0.20127%0.266CS..Hα-helixtrans-67.4-38.3178.5-171.4161.5-125.800112.4Y226 S228 L233 Y234 R353 V490Y226-E230 HydrophobicContact CE1-CB 4.45Å; Y226-E230 VanDerWaalsContact CE1-OE2 3.24Å; Y226-E230 WeakPolarHBondContact CE1-OE2 3.43Å; Y226-E230 WeakPolarHBondContact O-CB 3.32Å; Y226-E230 PolarHBondContact O-N 2.93Å; Y226-E230 PolarHBondContact OH-OE1 3.39Å; Y226-E230 VanDerWaalsContact OH-OE1 3.1Å; S228-E230 VanDerWaalsContact C-N 3.33Å; E230-L233 PolarHBondContact O-N 3.08Å; E230-Y234 WeakPolarHBondContact O-CB 3.42Å; E230-Y234 PolarHBondContact O-N 3.44Å; E230-R353 IonicContact OE1-NH2 3.08Å; E230-V490 VanDerWaalsContact CD-CG2 3.47Å; E230-V490 WeakPolarHBondContact OE1-CG2 3.47Å; E230-V490 VanDerWaalsContact OE2-CG2 3.26Å; E230-V490 WeakPolarHBondContact OE2-CG2 3.33Å
231K81Confident81Confident115 Ų11552.9 Ų52.950%0.525%0.253SS..Hα-helixtrans-61.2-44.1171.7-75.1172.8-174.5167.10111.9E227 S228 Y234 I235E227-K231 WeakPolarHBondContact O-CG 3.25Å; E227-K231 PolarHBondContact O-N 3.42Å; E227-K231 VanDerWaalsContact O-N 3.07Å; E227-K231 WeakPolarHBondContact OE1-CE 3.45Å; E227-K231 IonicContact OE1-NZ 3.14Å; E227-K231 PolarHBondContact OE1-NZ 3.38Å; S228-K231 PolarHBondContact O-N 2.86Å; K231-Y234 WeakPolarHBondContact O-CB 3.45Å; K231-Y234 PolarHBondContact O-N 2.94Å; K231-I235 VanDerWaalsContact O-CG1 3.28Å; K231-I235 WeakPolarHBondContact O-CG1 3.13Å; K231-I235 PolarHBondContact O-N 3.3Å
232D81.8Confident80.9Confident49 Ų4954.2 Ų54.226%0.26226%0.257SS..Hα-helixtrans-65.4-42179-65.2-11.2000111.7S228 M229 Y234 I235 Q236 I299 K302S228-D232 PolarHBondContact O-N 3.46Å; S228-D232 VanDerWaalsContact O-N 3.15Å; M229-D232 PolarHBondContact O-N 3.19Å; D232-Y234 VanDerWaalsContact C-N 3.33Å; D232-Y234 PolarHBondContact O-N 3.21Å; D232-I235 PolarHBondContact O-N 2.76Å; D232-Q236 PolarHBondContact O-N 3.14Å; D232-I299 HydrophobicContact CB-CD1 3.93Å; D232-I299 HydrophobicContact CB-CG1 3.92Å; D232-K302 IonicContact OD2-NZ 2.71Å; D232-K302 PolarHBondContact OD2-NZ 3.32Å
233L79Confident80.8Confident7 Ų757.1 Ų57.14%0.03727%0.268CS..Hα-helixtrans-62.2-40.1173.6-79.5179.4000112.1M229 E230 Q236 N237 I299 R353 L357M229-L233 PolarHBondContact O-N 2.98Å; M229-L233 HydrophobicContact SD-CD1 3.37Å; M229-L233 WeakPolarHBondContact SD-CD1 3.25Å; M229-L233 HydrophobicContact SD-CG 4.05Å; E230-L233 PolarHBondContact O-N 3.08Å; L233-Q236 PolarHBondContact O-N 2.66Å; L233-N237 VanDerWaalsContact O-CB 3.32Å; L233-N237 WeakPolarHBondContact O-CB 3.23Å; L233-N237 VanDerWaalsContact O-CG 3.23Å; L233-N237 PolarHBondContact O-N 2.86Å; L233-N237 PolarHBondContact O-ND2 3.39Å; L233-I299 HydrophobicContact CD2-CD1 4.24Å; L233-I299 HydrophobicContact CD2-CG2 4Å; L233-I299 HydrophobicContact CG-CG2 4.1Å; L233-R353 HydrophobicContact CD1-CB 4Å; L233-R353 HydrophobicContact CD1-CG 3.74Å; L233-L357 HydrophobicContact CD2-CB 4.05Å; L233-L357 HydrophobicContact CD2-CD1 3.86Å
234Y79.7Confident80.5Confident141 Ų14153.6 Ų53.655%0.55325%0.254SS*.Hα-helixtrans-62.3-44.7176.5-179-93.8000111.5E230 K231 D232 N237 D238E230-Y234 WeakPolarHBondContact O-CB 3.42Å; E230-Y234 PolarHBondContact O-N 3.44Å; K231-Y234 WeakPolarHBondContact O-CB 3.45Å; K231-Y234 PolarHBondContact O-N 2.94Å; D232-Y234 VanDerWaalsContact C-N 3.33Å; D232-Y234 PolarHBondContact O-N 3.21Å; Y234-N237 PolarHBondContact O-N 3.33Å; Y234-D238 WeakPolarHBondContact O-CB 3.45Å; Y234-D238 PolarHBondContact O-N 3.34Å
235I80.2Confident80.5Confident88 Ų8853.6 Ų53.645%0.45125%0.252SS..Hα-helixtrans-60.6-48.8176.7-66.7163.7000110.4K231 D232 N237 D238 E239K231-I235 VanDerWaalsContact O-CG1 3.28Å; K231-I235 WeakPolarHBondContact O-CG1 3.13Å; K231-I235 PolarHBondContact O-N 3.3Å; D232-I235 PolarHBondContact O-N 2.76Å; I235-N237 VanDerWaalsContact C-N 3.3Å; I235-N237 PolarHBondContact O-N 3.15Å; I235-D238 PolarHBondContact O-N 3.46Å; I235-E239 WeakPolarHBondContact O-CG 3.3Å; I235-E239 PolarHBondContact O-N 2.92Å
236Q78.7Confident80.4Confident8 Ų856.8 Ų56.84%0.03726%0.264CS..Hα-helixtrans-59.5-42177.4-175.2-170.4-8.800111.7D232 L233 C240 L290 L357D232-Q236 PolarHBondContact O-N 3.14Å; L233-Q236 PolarHBondContact O-N 2.66Å; Q236-C240 VanDerWaalsContact O-CB 3.3Å; Q236-C240 WeakPolarHBondContact O-CB 3.49Å; Q236-C240 PolarHBondContact O-N 2.91Å; Q236-L290 PolarHBondContact NE2-O 3.45Å; Q236-L357 VanDerWaalsContact OE1-CD1 3.26Å
237N75.8Confident80.2Confident23 Ų2356.6 Ų56.612%0.12326%0.264CS..Hα-helixtrans-64.5-42.5176.6-78-25.3000111.5L233 Y234 I235 C240 K241 Q356 K434L233-N237 VanDerWaalsContact O-CB 3.32Å; L233-N237 WeakPolarHBondContact O-CB 3.23Å; L233-N237 VanDerWaalsContact O-CG 3.23Å; L233-N237 PolarHBondContact O-N 2.86Å; L233-N237 PolarHBondContact O-ND2 3.39Å; Y234-N237 PolarHBondContact O-N 3.33Å; I235-N237 VanDerWaalsContact C-N 3.3Å; I235-N237 PolarHBondContact O-N 3.15Å; N237-C240 PolarHBondContact O-N 3.46Å; N237-K241 PolarHBondContact O-N 2.97Å; N237-Q356 PolarHBondContact ND2-NE2 3.24Å; N237-K434 PolarHBondContact O-NZ 3.45Å
238D79.4Confident80.2Confident57 Ų5755 Ų5531%0.30526%0.257SS..Hα-helixtrans-65.5-45.5178.1-169.463.2000111.6Y234 I235 C240 K241 Q242Y234-D238 WeakPolarHBondContact O-CB 3.45Å; Y234-D238 PolarHBondContact O-N 3.34Å; I235-D238 PolarHBondContact O-N 3.46Å; D238-C240 VanDerWaalsContact C-N 3.32Å; D238-C240 PolarHBondContact O-N 3.22Å; D238-K241 WeakPolarHBondContact O-CA 3.48Å; D238-K241 WeakPolarHBondContact O-CB 3.36Å; D238-K241 PolarHBondContact O-N 2.96Å; D238-Q242 WeakPolarHBondContact O-CG 3.16Å; D238-Q242 PolarHBondContact O-N 3.19Å; D238-Q242 PolarHBondContact OD2-NE2 3.39Å
239E81.9Confident80Confident84 Ų8456 Ų5639%0.39326%0.264SS..Hα-helixtrans-57.1-46.5173.5-72.8-177.5176.600111.3I235 K241 Q242 Y243 L290I235-E239 WeakPolarHBondContact O-CG 3.3Å; I235-E239 PolarHBondContact O-N 2.92Å; E239-K241 VanDerWaalsContact C-N 3.27Å; E239-K241 PolarHBondContact O-N 2.88Å; E239-Q242 WeakPolarHBondContact O-CB 3.17Å; E239-Q242 PolarHBondContact O-N 2.89Å; E239-Q242 VanDerWaalsContact O-N 3.11Å; E239-Y243 WeakPolarHBondContact O-CD2 3.36Å; E239-Y243 PolarHBondContact O-N 2.88Å; E239-L290 HydrophobicContact CB-CD1 4.03Å; E239-L290 HydrophobicContact CB-CD2 4.46Å; E239-L290 WeakPolarHBondContact OE2-CD2 3.37Å
240C79.2Confident79.9Confident2 Ų257.1 Ų57.11%0.01427%0.27CS..Hα-helixtrans-58.6-38.8175.4-175.90000112Q236 N237 D238 Q242 Y243 L244 L290Q236-C240 VanDerWaalsContact O-CB 3.3Å; Q236-C240 WeakPolarHBondContact O-CB 3.49Å; Q236-C240 PolarHBondContact O-N 2.91Å; N237-C240 PolarHBondContact O-N 3.46Å; D238-C240 VanDerWaalsContact C-N 3.32Å; D238-C240 PolarHBondContact O-N 3.22Å; C240-Q242 PolarHBondContact O-N 3.21Å; C240-Y243 PolarHBondContact O-N 2.63Å; C240-L244 VanDerWaalsContact O-CG 3.31Å; C240-L244 WeakPolarHBondContact O-CG 3.33Å; C240-L244 PolarHBondContact O-N 2.85Å; C240-L290 HydrophobicContact CB-CD1 3.87Å
241K79.5Confident79.7Confident78 Ų7855.1 Ų55.134%0.33926%0.26SS..Hα-helixtrans-60.2-46.8174.4-164.5-179.3173.9176.90111.4N237 D238 E239 Y243 L244 E245N237-K241 PolarHBondContact O-N 2.97Å; D238-K241 WeakPolarHBondContact O-CA 3.48Å; D238-K241 WeakPolarHBondContact O-CB 3.36Å; D238-K241 PolarHBondContact O-N 2.96Å; E239-K241 VanDerWaalsContact C-N 3.27Å; E239-K241 PolarHBondContact O-N 2.88Å; K241-Y243 VanDerWaalsContact C-N 3.31Å; K241-Y243 PolarHBondContact O-N 2.93Å; K241-L244 PolarHBondContact O-N 3.18Å; K241-L244 VanDerWaalsContact O-N 3.15Å; K241-E245 VanDerWaalsContact CE-OE1 3.29Å; K241-E245 WeakPolarHBondContact CE-OE1 3.48Å; K241-E245 WeakPolarHBondContact O-CG 3.46Å; K241-E245 PolarHBondContact O-N 3.08Å
242Q82.1Confident79.6Confident111 Ų11155.4 Ų55.452%0.51926%0.262SS..Hα-helixtrans-62-39.8179.9-64.1176.725.700111.4D238 E239 C240 K246D238-Q242 WeakPolarHBondContact O-CG 3.16Å; D238-Q242 PolarHBondContact O-N 3.19Å; D238-Q242 PolarHBondContact OD2-NE2 3.39Å; E239-Q242 WeakPolarHBondContact O-CB 3.17Å; E239-Q242 PolarHBondContact O-N 2.89Å; E239-Q242 VanDerWaalsContact O-N 3.11Å; C240-Q242 PolarHBondContact O-N 3.21Å; Q242-K246 WeakPolarHBondContact O-CB 3.38Å; Q242-K246 PolarHBondContact O-N 3Å
243Y81.7Confident79.3Confident66 Ų6655.2 Ų55.226%0.25926%0.264SS..Hα-helixtrans-63.9-42.7173.1-76.8-72.1000112.5E239 C240 K241 K246 L247 V283 E286 C287 L290E239-Y243 WeakPolarHBondContact O-CD2 3.36Å; E239-Y243 PolarHBondContact O-N 2.88Å; C240-Y243 PolarHBondContact O-N 2.63Å; K241-Y243 VanDerWaalsContact C-N 3.31Å; K241-Y243 PolarHBondContact O-N 2.93Å; Y243-K246 WeakPolarHBondContact O-CB 3.34Å; Y243-K246 PolarHBondContact O-N 2.7Å; Y243-L247 WeakPolarHBondContact O-CG 3.26Å; Y243-L247 PolarHBondContact O-N 3.5Å; Y243-V283 HydrophobicContact CD1-CG1 4Å; Y243-E286 HydrophobicContact CD1-CB 4.32Å; Y243-E286 HydrophobicContact CE1-CB 3.7Å; Y243-C287 HydrophobicContact CG-CB 4.16Å; Y243-L290 HydrophobicContact CD2-CD1 3.5Å; Y243-L290 HydrophobicContact CD2-CG 4.33Å; Y243-L290 HydrophobicContact CE2-CD1 3.7Å; Y243-L290 HydrophobicContact CE2-CD2 4.34Å; Y243-L290 HydrophobicContact CE2-CG 4.13Å
244L77Confident78.8Confident0 Ų054.9 Ų54.90%026%0.263CS..Hα-helixtrans-66-40.1178.4-68.7171.1000112.4C240 K241 K246 L247 D248 I430 L431C240-L244 VanDerWaalsContact O-CG 3.31Å; C240-L244 WeakPolarHBondContact O-CG 3.33Å; C240-L244 PolarHBondContact O-N 2.85Å; K241-L244 PolarHBondContact O-N 3.18Å; K241-L244 VanDerWaalsContact O-N 3.15Å; L244-K246 VanDerWaalsContact C-N 3.33Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 PolarHBondContact O-N 3.44Å; L244-D248 PolarHBondContact O-N 3.48Å; L244-I430 HydrophobicContact CD1-CG2 3.7Å; L244-I430 HydrophobicContact CD2-CB 4.31Å; L244-I430 HydrophobicContact CD2-CG2 3.49Å; L244-I430 VanDerWaalsContact CD2-CG2 3.49Å; L244-I430 HydrophobicContact CG-CG2 4.26Å; L244-L431 HydrophobicContact CB-CD2 3.88Å; L244-L431 HydrophobicContact CD1-CD2 4.28Å
245E81Confident78.4Confident105 Ų10550 Ų5049%0.49125%0.246SC..Hα-helixtrans-63.9-39.1173.7-72.8177.6-178.200111.5K241 D248 S249K241-E245 VanDerWaalsContact CE-OE1 3.29Å; K241-E245 WeakPolarHBondContact CE-OE1 3.48Å; K241-E245 WeakPolarHBondContact O-CG 3.46Å; K241-E245 PolarHBondContact O-N 3.08Å; E245-D248 PolarHBondContact O-N 3.46Å; E245-S249 PolarHBondContact O-N 3.47Å
246K82.1Confident77.8Confident99 Ų9949.4 Ų49.443%0.4325%0.246SC..Hα-helixtrans-62.1-45.5172.9-171.7178.2178-171.90111Q242 Y243 L244 D248 S249 M250 V283Q242-K246 WeakPolarHBondContact O-CB 3.38Å; Q242-K246 PolarHBondContact O-N 3Å; Y243-K246 WeakPolarHBondContact O-CB 3.34Å; Y243-K246 PolarHBondContact O-N 2.7Å; L244-K246 VanDerWaalsContact C-N 3.33Å; K246-D248 PolarHBondContact O-N 3.02Å; K246-S249 PolarHBondContact O-N 2.84Å; K246-S249 PolarHBondContact O-OG 3.36Å; K246-M250 HydrophobicContact CG-SD 4.22Å; K246-M250 VanDerWaalsContact O-CG 3.25Å; K246-M250 WeakPolarHBondContact O-CG 3.49Å; K246-M250 PolarHBondContact O-N 3Å; K246-V283 HydrophobicContact CB-CG1 4.46Å; K246-V283 HydrophobicContact CD-CG1 3.96Å; K246-V283 HydrophobicContact CD-CG2 4.2Å; K246-V283 HydrophobicContact CG-CG1 4.26Å
247L78Confident77Confident0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-62.2-42.3176.2-70.6172000112.4Y243 L244 S249 M250 L251 L280 V283 S284 I427Y243-L247 WeakPolarHBondContact O-CG 3.26Å; Y243-L247 PolarHBondContact O-N 3.5Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 PolarHBondContact O-N 3.44Å; L247-S249 VanDerWaalsContact C-N 3.34Å; L247-S249 PolarHBondContact O-N 3.23Å; L247-M250 PolarHBondContact O-N 2.97Å; L247-L251 PolarHBondContact O-N 2.89Å; L247-L280 HydrophobicContact CD2-CD2 4.05Å; L247-L280 HydrophobicContact CD2-CG 3.88Å; L247-V283 HydrophobicContact CD2-CB 3.82Å; L247-V283 HydrophobicContact CD2-CG1 3.65Å; L247-V283 HydrophobicContact CG-CG1 3.81Å; L247-S284 WeakPolarHBondContact CD2-OG 3.37Å; L247-I427 HydrophobicContact CB-CD1 3.55Å; L247-I427 HydrophobicContact CD1-CD1 4.31Å; L247-I427 HydrophobicContact CG-CD1 4.46Å
248D79.7Confident76.3Confident33 Ų3351.9 Ų51.918%0.17625%0.254CS..Hα-helixtrans-61.7-41.5175.3-179.560.1000111.5L244 E245 K246 M250 L251 K252 I427L244-D248 PolarHBondContact O-N 3.48Å; E245-D248 PolarHBondContact O-N 3.46Å; K246-D248 PolarHBondContact O-N 3.02Å; D248-M250 VanDerWaalsContact C-N 3.33Å; D248-M250 PolarHBondContact O-N 3.46Å; D248-L251 PolarHBondContact O-N 3.28Å; D248-K252 WeakPolarHBondContact O-CG 3.32Å; D248-K252 PolarHBondContact O-N 2.95Å; D248-K252 WeakPolarHBondContact OD2-CE 3.34Å; D248-K252 IonicContact OD2-NZ 3.69Å; D248-K252 PolarHBondContact OD2-NZ 3.01Å; D248-I427 HydrophobicContact CB-CG2 4.43Å
249S80.3Confident75.5Confident64 Ų6455.5 Ų55.545%0.44827%0.268SS..Hα-helixtrans-62.8-38.6174.980.80000112.5E245 K246 L247 K252 S253E245-S249 PolarHBondContact O-N 3.47Å; K246-S249 PolarHBondContact O-N 2.84Å; K246-S249 PolarHBondContact O-OG 3.36Å; L247-S249 VanDerWaalsContact C-N 3.34Å; L247-S249 PolarHBondContact O-N 3.23Å; S249-K252 PolarHBondContact O-N 3.35Å; S249-S253 PolarHBondContact O-N 3.48Å
250M79.2Confident74Confident26 Ų2657.7 Ų57.713%0.12828%0.278CS..Hα-helixtrans-69.9-40.7177.8-68.6173.172.500111.5K246 L247 D248 K252 S253 L254 N279 L280 V283K246-M250 HydrophobicContact CG-SD 4.22Å; K246-M250 VanDerWaalsContact O-CG 3.25Å; K246-M250 WeakPolarHBondContact O-CG 3.49Å; K246-M250 PolarHBondContact O-N 3Å; L247-M250 PolarHBondContact O-N 2.97Å; D248-M250 VanDerWaalsContact C-N 3.33Å; D248-M250 PolarHBondContact O-N 3.46Å; M250-K252 VanDerWaalsContact C-N 3.34Å; M250-K252 PolarHBondContact O-N 3.09Å; M250-S253 WeakPolarHBondContact O-CB 3.3Å; M250-S253 PolarHBondContact O-N 2.93Å; M250-S253 VanDerWaalsContact O-N 3.16Å; M250-S253 PolarHBondContact O-OG 2.79Å; M250-L254 PolarHBondContact O-N 3.4Å; M250-L254 VanDerWaalsContact O-N 3.16Å; M250-N279 VanDerWaalsContact CE-C 3.43Å; M250-N279 HydrophobicContact CE-CB 3.54Å; M250-L280 HydrophobicContact CB-CD1 4.21Å; M250-L280 HydrophobicContact CE-CB 4.03Å; M250-L280 VanDerWaalsContact CE-N 3.33Å; M250-V283 HydrophobicContact CE-CG2 4.41Å; M250-V283 HydrophobicContact SD-CB 4.36Å; M250-V283 HydrophobicContact SD-CG2 3.93Å
251L76.3Confident72.6Confident1 Ų160.8 Ų60.81%0.00529%0.294CS..Hα-helixtrans-61.4-42.3171.9-75.7-177000111.7L247 D248 S253 L254 D255 L280 Y420 W423 I427L247-L251 PolarHBondContact O-N 2.89Å; D248-L251 PolarHBondContact O-N 3.28Å; L251-S253 PolarHBondContact O-N 3.26Å; L251-L254 HydrophobicContact CD2-CD1 4.23Å; L251-L254 WeakPolarHBondContact O-CB 3.39Å; L251-L254 PolarHBondContact O-N 2.92Å; L251-L254 VanDerWaalsContact O-N 3.08Å; L251-D255 PolarHBondContact O-N 3.39Å; L251-D255 VanDerWaalsContact O-N 3.07Å; L251-L280 HydrophobicContact CD2-CD1 3.61Å; L251-L280 HydrophobicContact CG-CD1 3.99Å; L251-Y420 HydrophobicContact CB-CE2 4.21Å; L251-Y420 HydrophobicContact CD2-CD2 4.28Å; L251-Y420 HydrophobicContact CD2-CE2 4.1Å; L251-Y420 VanDerWaalsContact O-CE2 3.3Å; L251-Y420 WeakPolarHBondContact O-CE2 3.27Å; L251-Y420 PolarHBondContact O-OH 2.78Å; L251-W423 HydrophobicContact CD2-CB 4.22Å; L251-W423 HydrophobicContact CD2-CE3 4.44Å; L251-I427 HydrophobicContact CD1-CB 4.18Å; L251-I427 HydrophobicContact CD1-CD1 3.43Å; L251-I427 VanDerWaalsContact CD1-CD1 3.43Å; L251-I427 HydrophobicContact CD1-CG1 3.81Å; L251-I427 HydrophobicContact CG-CD1 4.14Å
252K78.5Confident71.1Confident121 Ų12164.7 Ų64.753%0.52631%0.307SS..Hα-helixtrans-59.9-35.3174.5-74.8167.6176.8162.80112.3D248 S249 M250 L254 D255 V256D248-K252 WeakPolarHBondContact O-CG 3.32Å; D248-K252 PolarHBondContact O-N 2.95Å; D248-K252 WeakPolarHBondContact OD2-CE 3.34Å; D248-K252 IonicContact OD2-NZ 3.69Å; D248-K252 PolarHBondContact OD2-NZ 3.01Å; S249-K252 PolarHBondContact O-N 3.35Å; M250-K252 VanDerWaalsContact C-N 3.34Å; M250-K252 PolarHBondContact O-N 3.09Å; K252-L254 VanDerWaalsContact C-N 3.35Å; K252-D255 WeakPolarHBondContact O-CB 3.44Å; K252-D255 PolarHBondContact O-N 3.06Å; K252-V256 PolarHBondContact O-N 3.49Å
253S75.2Confident69.3Low45 Ų4566.6 Ų66.632%0.31532%0.319SS..Hα-helixtrans-66.4-35.5174.778.70000112.9S249 M250 L251 D255 V256 Y257S249-S253 PolarHBondContact O-N 3.48Å; M250-S253 WeakPolarHBondContact O-CB 3.3Å; M250-S253 PolarHBondContact O-N 2.93Å; M250-S253 VanDerWaalsContact O-N 3.16Å; M250-S253 PolarHBondContact O-OG 2.79Å; L251-S253 PolarHBondContact O-N 3.26Å; S253-D255 VanDerWaalsContact C-N 3.34Å; S253-V256 PolarHBondContact O-N 3.45Å; S253-Y257 PolarHBondContact O-N 3.49Å; S253-Y257 VanDerWaalsContact O-N 3.11Å
254L70Confident67.3Low1 Ų168.3 Ų68.31%0.00533%0.332CS..Hα-helixtrans-64.7-37.8172-74167.2000111.4M250 L251 K252 V256 Y257 F258 L276 L277 L280 Y420M250-L254 PolarHBondContact O-N 3.4Å; M250-L254 VanDerWaalsContact O-N 3.16Å; L251-L254 HydrophobicContact CD2-CD1 4.23Å; L251-L254 WeakPolarHBondContact O-CB 3.39Å; L251-L254 PolarHBondContact O-N 2.92Å; L251-L254 VanDerWaalsContact O-N 3.08Å; K252-L254 VanDerWaalsContact C-N 3.35Å; L254-V256 VanDerWaalsContact C-N 3.31Å; L254-V256 PolarHBondContact O-N 3.31Å; L254-Y257 WeakPolarHBondContact O-CB 3.37Å; L254-Y257 PolarHBondContact O-N 2.88Å; L254-F258 WeakPolarHBondContact O-CD2 3.25Å; L254-F258 PolarHBondContact O-N 2.87Å; L254-L276 HydrophobicContact CD2-CB 3.9Å; L254-L276 HydrophobicContact CD2-CD1 3.85Å; L254-L276 HydrophobicContact CG-CB 4.46Å; L254-L276 HydrophobicContact CG-CD1 4.46Å; L254-L277 HydrophobicContact CD1-CD2 4.28Å; L254-L280 HydrophobicContact CD1-CD1 4.13Å; L254-Y420 HydrophobicContact CB-CD2 4.25Å; L254-Y420 HydrophobicContact CB-CE2 4.08Å
255D71.1Confident65.5Low38 Ų3873.3 Ų73.320%0.20336%0.359CS..Hα-helixtrans-59.9-40.8174.6-162.132.5000112.3L251 K252 S253 F258 K259 Y420L251-D255 PolarHBondContact O-N 3.39Å; L251-D255 VanDerWaalsContact O-N 3.07Å; K252-D255 WeakPolarHBondContact O-CB 3.44Å; K252-D255 PolarHBondContact O-N 3.06Å; S253-D255 VanDerWaalsContact C-N 3.34Å; D255-F258 PolarHBondContact O-N 3.34Å; D255-K259 WeakPolarHBondContact O-CB 3.44Å; D255-K259 WeakPolarHBondContact O-CG 3.46Å; D255-K259 PolarHBondContact O-N 3.15Å; D255-K259 WeakPolarHBondContact OD2-CE 3.45Å; D255-K259 IonicContact OD2-NZ 3.64Å; D255-K259 PolarHBondContact OD2-NZ 3.17Å; D255-Y420 HydrophobicContact CB-CE1 4.46Å; D255-Y420 WeakPolarHBondContact CB-OH 3.39Å
256V66.6Low63.8Low76 Ų7673.9 Ų73.946%0.46137%0.37SS..Hα-helixtrans-63.8-43.5176.1178.10000110.4K252 S253 L254 F258 K259 H260K252-V256 PolarHBondContact O-N 3.49Å; S253-V256 PolarHBondContact O-N 3.45Å; L254-V256 VanDerWaalsContact C-N 3.31Å; L254-V256 PolarHBondContact O-N 3.31Å; V256-F258 VanDerWaalsContact C-N 3.33Å; V256-F258 PolarHBondContact O-N 3.42Å; V256-K259 PolarHBondContact O-N 3.1Å; V256-H260 WeakPolarHBondContact O-CB 3.34Å; V256-H260 PolarHBondContact O-N 3.32Å
257Y62.8Low61.9Low69 Ų6977.4 Ų77.427%0.27139%0.388SS..Hα-helixtrans-55.9-47.6175.4-168.2-99.6000111.2S253 L254 K259 H260 D261 P273S253-Y257 PolarHBondContact O-N 3.49Å; S253-Y257 VanDerWaalsContact O-N 3.11Å; L254-Y257 WeakPolarHBondContact O-CB 3.37Å; L254-Y257 PolarHBondContact O-N 2.88Å; Y257-K259 PolarHBondContact O-N 3.25Å; Y257-H260 PolarHBondContact O-N 3.46Å; Y257-D261 HydrophobicContact CE1-CB 4.38Å; Y257-D261 HydrophobicContact CE2-CB 4.46Å; Y257-D261 WeakPolarHBondContact CE2-OD2 3.35Å; Y257-D261 WeakPolarHBondContact O-CB 3.28Å; Y257-D261 PolarHBondContact O-N 2.87Å; Y257-D261 PolarHBondContact OH-OD2 2.98Å; Y257-D261 VanDerWaalsContact OH-OD2 3.04Å; Y257-P273 HydrophobicContact CD1-CB 4.38Å; Y257-P273 HydrophobicContact CE1-CB 4.08Å; Y257-P273 HydrophobicContact CE1-CG 3.75Å
258F61.3Low60.2Low13 Ų1382.3 Ų82.36%0.05741%0.414CS..Hα-helixtrans-67-35.9176.7-75-71.4000114.7L254 D255 V256 H260 R262 F416 Y420L254-F258 WeakPolarHBondContact O-CD2 3.25Å; L254-F258 PolarHBondContact O-N 2.87Å; D255-F258 PolarHBondContact O-N 3.34Å; V256-F258 VanDerWaalsContact C-N 3.33Å; V256-F258 PolarHBondContact O-N 3.42Å; F258-H260 VanDerWaalsContact C-N 3.32Å; F258-R262 VanDerWaalsContact O-CG 3.3Å; F258-R262 WeakPolarHBondContact O-CG 3.3Å; F258-F416 HydrophobicContact CE1-CB 4.46Å; F258-F416 AromaticContact CE1-CD1 3.33Å; F258-F416 HydrophobicContact CE1-CD1 3.33Å; F258-F416 AromaticContact CE1-CE1 3.75Å; F258-F416 HydrophobicContact CE1-CE1 3.75Å; F258-F416 HydrophobicContact CE1-CG 4.13Å; F258-F416 HydrophobicContact CE2-CD1 4.06Å; F258-F416 AromaticContact CE2-CE1 3.78Å; F258-F416 HydrophobicContact CE2-CE1 3.78Å; F258-F416 HydrophobicContact CE2-CZ 4.31Å; F258-F416 HydrophobicContact CZ-CB 4.25Å; F258-F416 AromaticContact CZ-CD1 2.97Å; F258-F416 HydrophobicContact CZ-CD1 2.97Å; F258-F416 HydrophobicContact CZ-CD2 4.31Å; F258-F416 AromaticContact CZ-CE1 3.13Å; F258-F416 HydrophobicContact CZ-CE1 3.13Å; F258-F416 HydrophobicContact CZ-CE2 4.48Å; F258-F416 AromaticContact CZ-CG 3.6Å; F258-F416 HydrophobicContact CZ-CG 3.6Å; F258-F416 AromaticContact CZ-CZ 3.94Å; F258-F416 HydrophobicContact CZ-CZ 3.94Å; F258-Y420 HydrophobicContact CE2-CD2 4.39Å; F258-Y420 HydrophobicContact CE2-CG 4.15Å
259K61Low58.8Low134 Ų13483.9 Ų83.958%0.58343%0.427SS*.Hα-helixtrans-69.3-31.9178.4-79.5171.8175.81600111.8D255 V256 Y257D255-K259 WeakPolarHBondContact O-CB 3.44Å; D255-K259 WeakPolarHBondContact O-CG 3.46Å; D255-K259 PolarHBondContact O-N 3.15Å; D255-K259 WeakPolarHBondContact OD2-CE 3.45Å; D255-K259 IonicContact OD2-NZ 3.64Å; D255-K259 PolarHBondContact OD2-NZ 3.17Å; V256-K259 PolarHBondContact O-N 3.1Å; Y257-K259 PolarHBondContact O-N 3.25Å
260H50.8Low57.5Low130 Ų13085.5 Ų85.560%0.60243%0.431SS*.Hα-helixtrans-96.1-41.6-175.4-68.38000112.9V256 Y257 F258V256-H260 WeakPolarHBondContact O-CB 3.34Å; V256-H260 PolarHBondContact O-N 3.32Å; Y257-H260 PolarHBondContact O-N 3.46Å; F258-H260 VanDerWaalsContact C-N 3.32Å
261D49.6Very low56.6Low66 Ų6689 Ų8935%0.35345%0.45SS..Hα-helixtrans-89.9-1.9-174.7-95.5-1.6000115.2Y257 L263 I264Y257-D261 HydrophobicContact CE1-CB 4.38Å; Y257-D261 HydrophobicContact CE2-CB 4.46Å; Y257-D261 WeakPolarHBondContact CE2-OD2 3.35Å; Y257-D261 WeakPolarHBondContact O-CB 3.28Å; Y257-D261 PolarHBondContact O-N 2.87Å; Y257-D261 PolarHBondContact OH-OD2 2.98Å; Y257-D261 VanDerWaalsContact OH-OD2 3.04Å; D261-L263 PolarHBondContact O-N 2.84Å; D261-I264 PolarHBondContact O-N 3.49Å
262R48.2Very low56Low161 Ų16190.5 Ų90.561%0.60847%0.465SS*.THydrogen-bonded Turntrans-57.6-14.4163.5-89.4-175.9-172.5-171.56.2113F258 W417F258-R262 VanDerWaalsContact O-CG 3.3Å; F258-R262 WeakPolarHBondContact O-CG 3.3Å; R262-W417 VanDerWaalsContact NH2-CD1 3.33Å
263L43.8Very low55.5Low150 Ų15085 Ų8579%0.78544%0.442SS*.THydrogen-bonded Turntrans-109.3-16.1-173.8-77.3164.1000115.2D261D261-L263 PolarHBondContact O-N 2.84Å
264I39.7Very low55.2Low103 Ų10384 Ų8453%0.52843%0.433SS..SBendtrans-143.9112-164.1-42-178.3000111.6D261D261-I264 PolarHBondContact O-N 3.49Å
265N40.1Very low55.4Low104 Ų10488.2 Ų88.256%0.55646%0.456SS*.  trans77.592.8161.6-61-18.3000118.9Q267 N268N265-Q267 PolarHBondContact O-N 3.15Å; N265-N268 PolarHBondContact O-N 3.01Å
266T44.8Very low55.5Low118 Ų11888.8 Ų88.872%0.72446%0.458SS*.THydrogen-bonded Turntrans-55.96.3157.743.20000115.8
267Q42.2Very low56Low173 Ų17385.1 Ų85.181%0.80844%0.436SS*.THydrogen-bonded Turntrans-118.3-14.9-176.4-77178.8-21.800114.2N265 S269N265-Q267 PolarHBondContact O-N 3.15Å; Q267-S269 PolarHBondContact O-N 2.85Å; Q267-S269 VanDerWaalsContact O-N 3.1Å
268N42.1Very low56.9Low102 Ų10285.9 Ų85.955%0.54544%0.442SS..SBendtrans-88.391.2-178.7-72.1-7.2000109.2N265N265-N268 PolarHBondContact O-N 3.01Å
269S51.6Low57.8Low66 Ų6689.1 Ų89.146%0.46246%0.46SS..  trans24.5110.5151.964.20000116Q267 D271 G272Q267-S269 PolarHBondContact O-N 2.85Å; Q267-S269 VanDerWaalsContact O-N 3.1Å; S269-D271 WeakPolarHBondContact CB-OD2 3.43Å; S269-D271 PolarHBondContact O-N 3.18Å; S269-G272 PolarHBondContact O-N 3.42Å
270L53.5Low58.8Low99 Ų9982.8 Ų82.852%0.51843%0.432SS..THydrogen-bonded Turntrans-52.7-8.5160.8-73162000113G272 P273 L274 I381 T385L270-G272 VanDerWaalsContact C-N 3.3Å; L270-G272 PolarHBondContact O-N 3.42Å; L270-P273 VanDerWaalsContact O-CD 3.24Å; L270-P273 WeakPolarHBondContact O-CD 3.41Å; L270-P273 WeakPolarHBondContact O-CG 2.88Å; L270-L274 WeakPolarHBondContact O-CB 3.29Å; L270-L274 PolarHBondContact O-N 3.39Å; L270-I381 HydrophobicContact CD1-CG2 4.26Å; L270-T385 HydrophobicContact CD1-CG2 4.18Å
271D59.6Low60.3Low99 Ų9978 Ų7853%0.52941%0.412SS..Hα-helixtrans-50-43.1174.4-58.8-12.5000112.9S269 L274 D275S269-D271 WeakPolarHBondContact CB-OD2 3.43Å; S269-D271 PolarHBondContact O-N 3.18Å; D271-L274 PolarHBondContact O-N 3.41Å; D271-D275 WeakPolarHBondContact O-CB 3.38Å; D271-D275 PolarHBondContact O-N 3Å
272G64.1Low62Low32 Ų3280.8 Ų80.833%0.3342%0.42SS..Hα-helixtrans-60.8-57.6179.700000114.2S269 L270 L274 D275 L276S269-G272 PolarHBondContact O-N 3.42Å; L270-G272 VanDerWaalsContact C-N 3.3Å; L270-G272 PolarHBondContact O-N 3.42Å; G272-L274 VanDerWaalsContact C-N 3.32Å; G272-L274 PolarHBondContact O-N 3.42Å; G272-D275 PolarHBondContact O-N 2.9Å; G272-L276 PolarHBondContact O-N 3.13Å; G272-L276 VanDerWaalsContact O-N 3.16Å
273P66.7Low63.7Low6 Ų673.4 Ų73.44%0.03939%0.393CS..Hα-helixtrans-67.2-30.5175.121.6-29.8000112.8Y257 L270 L276 L277Y257-P273 HydrophobicContact CD1-CB 4.38Å; Y257-P273 HydrophobicContact CE1-CB 4.08Å; Y257-P273 HydrophobicContact CE1-CG 3.75Å; L270-P273 VanDerWaalsContact O-CD 3.24Å; L270-P273 WeakPolarHBondContact O-CD 3.41Å; L270-P273 WeakPolarHBondContact O-CG 2.88Å; P273-L276 PolarHBondContact O-N 3.22Å; P273-L277 WeakPolarHBondContact O-CB 3.44Å; P273-L277 WeakPolarHBondContact O-CG 3.21Å; P273-L277 PolarHBondContact O-N 3.44Å
274L68.8Low65.5Low25 Ų2566.3 Ų66.313%0.13136%0.356CS..Hα-helixtrans-65-43.1175.6-16770.9000111.4L270 D271 G272 L277 Q278 I378 I381L270-L274 WeakPolarHBondContact O-CB 3.29Å; L270-L274 PolarHBondContact O-N 3.39Å; D271-L274 PolarHBondContact O-N 3.41Å; G272-L274 VanDerWaalsContact C-N 3.32Å; G272-L274 PolarHBondContact O-N 3.42Å; L274-L277 PolarHBondContact O-N 3.47Å; L274-Q278 WeakPolarHBondContact O-CB 3.5Å; L274-Q278 WeakPolarHBondContact O-CG 3.39Å; L274-Q278 PolarHBondContact O-N 2.75Å; L274-I378 HydrophobicContact CD1-CG1 4.41Å; L274-I378 HydrophobicContact CD1-CG2 4.15Å; L274-I381 HydrophobicContact CD1-CB 4.44Å; L274-I381 HydrophobicContact CD1-CD1 4.31Å; L274-I381 HydrophobicContact CD1-CG2 4.23Å
275D74.8Confident67.6Low89 Ų8963.9 Ų63.948%0.47634%0.344SS..Hα-helixtrans-62.9-41.6174.9-80.7-8.4000111.5D271 G272 Q278 N279D271-D275 WeakPolarHBondContact O-CB 3.38Å; D271-D275 PolarHBondContact O-N 3Å; G272-D275 PolarHBondContact O-N 2.9Å; D275-Q278 PolarHBondContact O-N 3.2Å; D275-N279 WeakPolarHBondContact O-CB 3.18Å; D275-N279 VanDerWaalsContact O-CG 3.23Å; D275-N279 PolarHBondContact O-N 3.46Å; D275-N279 PolarHBondContact O-ND2 2.72Å
276L74.3Confident69.7Low49 Ų4961.8 Ų61.826%0.25733%0.331SS..Hα-helixtrans-62.9-42.3175-75170.1000111.9L254 G272 P273 N279 L280L254-L276 HydrophobicContact CD2-CB 3.9Å; L254-L276 HydrophobicContact CD2-CD1 3.85Å; L254-L276 HydrophobicContact CG-CB 4.46Å; L254-L276 HydrophobicContact CG-CD1 4.46Å; G272-L276 PolarHBondContact O-N 3.13Å; G272-L276 VanDerWaalsContact O-N 3.16Å; P273-L276 PolarHBondContact O-N 3.22Å; L276-N279 PolarHBondContact O-N 3.1Å; L276-L280 WeakPolarHBondContact O-CB 3.3Å; L276-L280 PolarHBondContact O-N 2.81Å
277L76.4Confident71.4Confident0 Ų056.1 Ų56.10%030%0.296CS..Hα-helixtrans-67.7-41.4177.4-71.5170.1000112.3L254 P273 L274 N279 L280 L281 I374 F377 I378 I381 F416 W423L254-L277 HydrophobicContact CD1-CD2 4.28Å; P273-L277 WeakPolarHBondContact O-CB 3.44Å; P273-L277 WeakPolarHBondContact O-CG 3.21Å; P273-L277 PolarHBondContact O-N 3.44Å; L274-L277 PolarHBondContact O-N 3.47Å; L277-N279 VanDerWaalsContact C-N 3.33Å; L277-L280 PolarHBondContact O-N 3.34Å; L277-L281 WeakPolarHBondContact O-CB 3.4Å; L277-L281 PolarHBondContact O-N 2.93Å; L277-I374 HydrophobicContact CB-CG2 4.46Å; L277-I374 HydrophobicContact CD2-CG2 4.35Å; L277-F377 HydrophobicContact CD1-CD1 3.77Å; L277-F377 HydrophobicContact CD1-CE1 3.88Å; L277-I378 HydrophobicContact CB-CD1 4.06Å; L277-I378 HydrophobicContact CB-CG1 4.06Å; L277-I378 HydrophobicContact CD1-CG1 4.46Å; L277-I381 HydrophobicContact CD1-CD1 4.13Å; L277-F416 HydrophobicContact CD1-CE2 3.98Å; L277-F416 HydrophobicContact CD1-CZ 3.99Å; L277-F416 HydrophobicContact CD2-CE2 4.24Å; L277-F416 HydrophobicContact CD2-CZ 4.39Å; L277-F416 HydrophobicContact CG-CZ 4.47Å; L277-W423 HydrophobicContact CD2-CH2 3.64Å; L277-W423 HydrophobicContact CD2-CZ3 3.5Å; L277-W423 VanDerWaalsContact CD2-CZ3 3.5Å
278Q80.6Confident73.3Confident85 Ų8549.4 Ų49.440%0.39727%0.266SS..Hα-helixtrans-62.7-41.9174.6-75.5-178.812.300111.3L274 D275 L280 L281 K282 I378L274-Q278 WeakPolarHBondContact O-CB 3.5Å; L274-Q278 WeakPolarHBondContact O-CG 3.39Å; L274-Q278 PolarHBondContact O-N 2.75Å; D275-Q278 PolarHBondContact O-N 3.2Å; Q278-L280 VanDerWaalsContact C-N 3.34Å; Q278-L281 PolarHBondContact O-N 3.09Å; Q278-K282 WeakPolarHBondContact O-CB 3.48Å; Q278-K282 PolarHBondContact O-N 2.82Å; Q278-I378 HydrophobicContact CG-CD1 4.34Å
279N82.2Confident75.2Confident81 Ų8149.1 Ų49.143%0.43326%0.264SS..Hα-helixtrans-64.2-40173.6-74.1-39.6000111.5M250 D275 L276 L277 L281 K282 V283M250-N279 VanDerWaalsContact CE-C 3.43Å; M250-N279 HydrophobicContact CE-CB 3.54Å; D275-N279 WeakPolarHBondContact O-CB 3.18Å; D275-N279 VanDerWaalsContact O-CG 3.23Å; D275-N279 PolarHBondContact O-N 3.46Å; D275-N279 PolarHBondContact O-ND2 2.72Å; L276-N279 PolarHBondContact O-N 3.1Å; L277-N279 VanDerWaalsContact C-N 3.33Å; N279-L281 VanDerWaalsContact C-N 3.34Å; N279-K282 WeakPolarHBondContact O-CB 3.5Å; N279-K282 PolarHBondContact O-N 2.98Å; N279-V283 WeakPolarHBondContact O-CG2 3.32Å; N279-V283 PolarHBondContact O-N 3.4Å
280L80.3Confident76.6Confident0 Ų046.7 Ų46.70%025%0.246CC..Hα-helixtrans-66-39.6179.5-160.6150.2000111.2L247 M250 L251 L254 L276 L277 Q278 S284 I374L247-L280 HydrophobicContact CD2-CD2 4.05Å; L247-L280 HydrophobicContact CD2-CG 3.88Å; M250-L280 HydrophobicContact CB-CD1 4.21Å; M250-L280 HydrophobicContact CE-CB 4.03Å; M250-L280 VanDerWaalsContact CE-N 3.33Å; L251-L280 HydrophobicContact CD2-CD1 3.61Å; L251-L280 HydrophobicContact CG-CD1 3.99Å; L254-L280 HydrophobicContact CD1-CD1 4.13Å; L276-L280 WeakPolarHBondContact O-CB 3.3Å; L276-L280 PolarHBondContact O-N 2.81Å; L277-L280 PolarHBondContact O-N 3.34Å; Q278-L280 VanDerWaalsContact C-N 3.34Å; L280-S284 VanDerWaalsContact O-CB 3.3Å; L280-S284 WeakPolarHBondContact O-CB 3.43Å; L280-S284 PolarHBondContact O-N 3.03Å; L280-S284 PolarHBondContact O-OG 3.47Å; L280-I374 HydrophobicContact CD2-CD1 3.22Å; L280-I374 HydrophobicContact CD2-CG1 4.33Å
281L82.9Confident77.7Confident31 Ų3142.4 Ų42.416%0.16222%0.223CC..Hα-helixtrans-62.6-44.7172.3-170.9157000111L277 Q278 N279 S284 N285 I374 E375 I378L277-L281 WeakPolarHBondContact O-CB 3.4Å; L277-L281 PolarHBondContact O-N 2.93Å; Q278-L281 PolarHBondContact O-N 3.09Å; N279-L281 VanDerWaalsContact C-N 3.34Å; L281-S284 PolarHBondContact O-N 3.28Å; L281-N285 WeakPolarHBondContact CD2-ND2 3.42Å; L281-N285 PolarHBondContact O-N 2.94Å; L281-I374 HydrophobicContact CB-CG2 4.16Å; L281-I374 HydrophobicContact CD1-CG2 4.2Å; L281-E375 HydrophobicContact CD1-CB 4.47Å; L281-E375 HydrophobicContact CD1-CG 3.42Å; L281-E375 VanDerWaalsContact CD1-CG 3.42Å; L281-E375 HydrophobicContact CG-CG 4.39Å; L281-I378 HydrophobicContact CD1-CD1 3.79Å
282K85.4Confident78.5Confident123 Ų12341.9 Ų41.954%0.53522%0.22SC..Hα-helixtrans-58.5-50.2176.3-175.8-178.5175.7-176.10111.9Q278 N279 S284 N285 E286Q278-K282 WeakPolarHBondContact O-CB 3.48Å; Q278-K282 PolarHBondContact O-N 2.82Å; N279-K282 WeakPolarHBondContact O-CB 3.5Å; N279-K282 PolarHBondContact O-N 2.98Å; K282-S284 VanDerWaalsContact C-N 3.31Å; K282-S284 PolarHBondContact O-N 3.36Å; K282-N285 PolarHBondContact O-N 3Å; K282-E286 WeakPolarHBondContact CE-OE1 3.27Å; K282-E286 WeakPolarHBondContact O-CG 3.09Å; K282-E286 PolarHBondContact O-N 3.46Å
283V84Confident79.2Confident7 Ų742.6 Ų42.64%0.04223%0.227CC..Hα-helixtrans-66.2-34.9179.5176.70000111.5Y243 K246 L247 M250 N279 E286 C287Y243-V283 HydrophobicContact CD1-CG1 4Å; K246-V283 HydrophobicContact CB-CG1 4.46Å; K246-V283 HydrophobicContact CD-CG1 3.96Å; K246-V283 HydrophobicContact CD-CG2 4.2Å; K246-V283 HydrophobicContact CG-CG1 4.26Å; L247-V283 HydrophobicContact CD2-CB 3.82Å; L247-V283 HydrophobicContact CD2-CG1 3.65Å; L247-V283 HydrophobicContact CG-CG1 3.81Å; M250-V283 HydrophobicContact CE-CG2 4.41Å; M250-V283 HydrophobicContact SD-CB 4.36Å; M250-V283 HydrophobicContact SD-CG2 3.93Å; N279-V283 WeakPolarHBondContact O-CG2 3.32Å; N279-V283 PolarHBondContact O-N 3.4Å; V283-E286 PolarHBondContact O-N 3.32Å; V283-C287 WeakPolarHBondContact O-CB 3.27Å; V283-C287 PolarHBondContact O-N 3.19Å
284S81.8Confident79.8Confident0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-66.8-38.7175.4-59.80000112L247 L280 L281 K282 C287 L288L247-S284 WeakPolarHBondContact CD2-OG 3.37Å; L280-S284 VanDerWaalsContact O-CB 3.3Å; L280-S284 WeakPolarHBondContact O-CB 3.43Å; L280-S284 PolarHBondContact O-N 3.03Å; L280-S284 PolarHBondContact O-OG 3.47Å; L281-S284 PolarHBondContact O-N 3.28Å; K282-S284 VanDerWaalsContact C-N 3.31Å; K282-S284 PolarHBondContact O-N 3.36Å; S284-C287 WeakPolarHBondContact O-CB 3.45Å; S284-C287 PolarHBondContact O-N 3.1Å; S284-L288 PolarHBondContact O-N 3.18Å
285N82.7Confident80.2Confident53 Ų5351.4 Ų51.428%0.28327%0.267SS..Hα-helixtrans-68.3-42.9173.6-76.5-24.5000111.8L281 K282 C287 L288 D289 I371L281-N285 WeakPolarHBondContact CD2-ND2 3.42Å; L281-N285 PolarHBondContact O-N 2.94Å; K282-N285 PolarHBondContact O-N 3Å; N285-C287 PolarHBondContact O-N 3.03Å; N285-L288 CarbonylContact O-C 3.48Å; N285-L288 WeakPolarHBondContact O-CB 3.38Å; N285-L288 PolarHBondContact O-N 2.88Å; N285-D289 PolarHBondContact O-N 3.17Å; N285-I371 WeakPolarHBondContact OD1-CD1 3.44Å
286E85.1Confident80.5Confident59 Ų5948 Ų4828%0.27625%0.25SC..Hα-helixtrans-57.3-39.1172.7-71.2169.1-179.700111.4Y243 K282 V283 D289 L290Y243-E286 HydrophobicContact CD1-CB 4.32Å; Y243-E286 HydrophobicContact CE1-CB 3.7Å; K282-E286 WeakPolarHBondContact CE-OE1 3.27Å; K282-E286 WeakPolarHBondContact O-CG 3.09Å; K282-E286 PolarHBondContact O-N 3.46Å; V283-E286 PolarHBondContact O-N 3.32Å; E286-D289 PolarHBondContact O-N 3.39Å; E286-L290 PolarHBondContact O-N 2.81Å
287C81.1Confident80.8Confident0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-68.4-37.5174.4-172.70000112.7Y243 V283 S284 N285 D289 L290 L367Y243-C287 HydrophobicContact CG-CB 4.16Å; V283-C287 WeakPolarHBondContact O-CB 3.27Å; V283-C287 PolarHBondContact O-N 3.19Å; S284-C287 WeakPolarHBondContact O-CB 3.45Å; S284-C287 PolarHBondContact O-N 3.1Å; N285-C287 PolarHBondContact O-N 3.03Å; C287-D289 VanDerWaalsContact C-N 3.34Å; C287-L290 WeakPolarHBondContact O-CB 3.32Å; C287-L290 PolarHBondContact O-N 3.43Å; C287-L367 HydrophobicContact CB-CD2 4.12Å
288L80.6Confident81.2Confident32 Ų3254.9 Ų54.917%0.16829%0.286CS..Hα-helixtrans-69.4-32.9176.1-167.9118.7000111.9S284 N285 L290 F291 I364 L367 I371S284-L288 PolarHBondContact O-N 3.18Å; N285-L288 CarbonylContact O-C 3.48Å; N285-L288 WeakPolarHBondContact O-CB 3.38Å; N285-L288 PolarHBondContact O-N 2.88Å; L288-L290 PolarHBondContact O-N 3.5Å; L288-F291 PolarHBondContact O-N 3.18Å; L288-I364 HydrophobicContact CD1-CG2 4.47Å; L288-L367 HydrophobicContact CD1-CB 4.16Å; L288-I371 HydrophobicContact CB-CD1 4.33Å; L288-I371 HydrophobicContact CD1-CD1 3.96Å
289D82.9Confident81.4Confident95 Ų9551.1 Ų51.151%0.50827%0.269SS..Hα-helixtrans-64.7-25.6175.5-73.1-21.9000112.1N285 E286 C287 F291 N292 H295N285-D289 PolarHBondContact O-N 3.17Å; E286-D289 PolarHBondContact O-N 3.39Å; C287-D289 VanDerWaalsContact C-N 3.34Å; D289-F291 PolarHBondContact O-N 3.45Å; D289-F291 VanDerWaalsContact O-N 3.08Å; D289-N292 CarbonylContact O-C 3.54Å; D289-N292 PolarHBondContact O-N 2.85Å; D289-H295 PolarHBondContact O-CE1 3.5Å
290L80.1Confident81.6Confident15 Ų1548.7 Ų48.78%0.07926%0.255CS..THydrogen-bonded Turntrans-62.2-13170.4-67.3-179.7000113.8Q236 E239 C240 Y243 E286 C287 L288 H295Q236-L290 PolarHBondContact NE2-O 3.45Å; E239-L290 HydrophobicContact CB-CD1 4.03Å; E239-L290 HydrophobicContact CB-CD2 4.46Å; E239-L290 WeakPolarHBondContact OE2-CD2 3.37Å; C240-L290 HydrophobicContact CB-CD1 3.87Å; Y243-L290 HydrophobicContact CD2-CD1 3.5Å; Y243-L290 HydrophobicContact CD2-CG 4.33Å; Y243-L290 HydrophobicContact CE2-CD1 3.7Å; Y243-L290 HydrophobicContact CE2-CD2 4.34Å; Y243-L290 HydrophobicContact CE2-CG 4.13Å; E286-L290 PolarHBondContact O-N 2.81Å; C287-L290 WeakPolarHBondContact O-CB 3.32Å; C287-L290 PolarHBondContact O-N 3.43Å; L288-L290 PolarHBondContact O-N 3.5Å; L290-H295 VanDerWaalsContact C-NE2 3.26Å; L290-H295 PolarHBondContact O-NE2 2.83Å
291F78.1Confident82Confident10 Ų1053 Ų534%0.04428%0.275CS..THydrogen-bonded Turntrans-105.87.3175.1-61.9-85.1000112.9L288 D289 I363 I364L288-F291 PolarHBondContact O-N 3.18Å; D289-F291 PolarHBondContact O-N 3.45Å; D289-F291 VanDerWaalsContact O-N 3.08Å; F291-I363 HydrophobicContact CE2-CG2 3.78Å; F291-I363 HydrophobicContact CZ-CB 4.43Å; F291-I363 HydrophobicContact CZ-CD1 4.46Å; F291-I363 HydrophobicContact CZ-CG2 3.71Å; F291-I364 HydrophobicContact CB-CD1 3.62Å; F291-I364 HydrophobicContact CB-CG1 4.07Å; F291-I364 HydrophobicContact CD1-CD1 4.38Å; F291-I364 HydrophobicContact CD1-CG1 4.41Å; F291-I364 HydrophobicContact CD2-CG1 4.26Å; F291-I364 HydrophobicContact CG-CD1 4.01Å; F291-I364 HydrophobicContact CG-CG1 3.99Å
292N76.5Confident82.2Confident88 Ų8853.7 Ų53.747%0.47128%0.276SS..SBendtrans-129.9168.8176.7-68.5-49000110.5D289 H295D289-N292 CarbonylContact O-C 3.54Å; D289-N292 PolarHBondContact O-N 2.85Å; N292-H295 PolarHBondContact O-CE1 3.25Å; N292-H295 PolarHBondContact O-ND1 3.03Å
293G77.1Confident82.3Confident46 Ų4647.9 Ų47.947%0.47425%0.251SS..SBendtrans89.3-164.4170.600000115.7V296 L297G293-V296 PolarHBondContact O-N 3.33Å; G293-L297 WeakPolarHBondContact O-CG 3.3Å; G293-L297 PolarHBondContact O-N 3.43Å
294E79.2Confident82.5Confident147 Ų14752.7 Ų52.769%0.68727%0.274SS*.Hα-helixtrans-70.1-36.1-164.7-170.2176175.100113.3V296 L297 N298E294-V296 PolarHBondContact O-N 2.89Å; E294-L297 PolarHBondContact O-N 3.34Å; E294-N298 WeakPolarHBondContact O-CB 3.48Å; E294-N298 VanDerWaalsContact O-CG 3.29Å; E294-N298 PolarHBondContact O-N 3.28Å; E294-N298 PolarHBondContact O-ND2 3.11Å
295H77.5Confident82.9Confident69 Ų6957.6 Ų57.632%0.31930%0.295SS..Hα-helixtrans-65.8-39.5178.761.4-74.9000112D289 L290 N292 N298 I299D289-H295 PolarHBondContact O-CE1 3.5Å; L290-H295 VanDerWaalsContact C-NE2 3.26Å; L290-H295 PolarHBondContact O-NE2 2.83Å; N292-H295 PolarHBondContact O-CE1 3.25Å; N292-H295 PolarHBondContact O-ND1 3.03Å; H295-N298 PolarHBondContact O-N 2.9Å; H295-I299 WeakPolarHBondContact O-CG1 3.25Å; H295-I299 PolarHBondContact O-N 3.47Å
296V80.8Confident83Confident19 Ų1955 Ų5512%0.11528%0.281CS..Hα-helixtrans-64-43.1174.21750000111.2G293 E294 N298 I299 E300 L357G293-V296 PolarHBondContact O-N 3.33Å; E294-V296 PolarHBondContact O-N 2.89Å; V296-N298 VanDerWaalsContact C-N 3.32Å; V296-N298 PolarHBondContact O-N 3.01Å; V296-I299 PolarHBondContact O-N 3.34Å; V296-E300 WeakPolarHBondContact O-CB 3.21Å; V296-E300 PolarHBondContact O-N 2.94Å; V296-L357 HydrophobicContact CB-CD1 4.44Å; V296-L357 HydrophobicContact CG1-CD1 4.14Å; V296-L357 HydrophobicContact CG1-CD2 4.22Å; V296-L357 HydrophobicContact CG1-CG 3.98Å; V296-L357 HydrophobicContact CG2-CD1 4.31Å
297L81.6Confident83.1Confident119 Ų11955.1 Ų55.162%0.62328%0.283SS*.Hα-helixtrans-61.8-41.1176.7-68.8173.2000111.7G293 E294 E300 E301G293-L297 WeakPolarHBondContact O-CG 3.3Å; G293-L297 PolarHBondContact O-N 3.43Å; E294-L297 PolarHBondContact O-N 3.34Å; L297-E300 PolarHBondContact O-N 2.94Å; L297-E301 WeakPolarHBondContact O-CB 3.39Å; L297-E301 PolarHBondContact O-N 3.44Å
298N84.4Confident83.5Confident74 Ų7460 Ų6040%0.39631%0.306SS..Hα-helixtrans-63.1-42.8177.1-75.2-19.6000112E294 H295 V296 E301 K302E294-N298 WeakPolarHBondContact O-CB 3.48Å; E294-N298 VanDerWaalsContact O-CG 3.29Å; E294-N298 PolarHBondContact O-N 3.28Å; E294-N298 PolarHBondContact O-ND2 3.11Å; H295-N298 PolarHBondContact O-N 2.9Å; V296-N298 VanDerWaalsContact C-N 3.32Å; V296-N298 PolarHBondContact O-N 3.01Å; N298-E301 PolarHBondContact O-N 2.9Å; N298-K302 WeakPolarHBondContact O-CG 3.46Å; N298-K302 PolarHBondContact O-N 2.97Å; N298-K302 VanDerWaalsContact O-N 3.12Å
299I84.4Confident83.8Confident6 Ų659.8 Ų59.83%0.03131%0.305CS..Hα-helixtrans-69-40.8177.3-61.3169.6000110.6M229 D232 L233 H295 V296 E301 K302 L303 L357M229-I299 HydrophobicContact CG-CG2 4.08Å; D232-I299 HydrophobicContact CB-CD1 3.93Å; D232-I299 HydrophobicContact CB-CG1 3.92Å; L233-I299 HydrophobicContact CD2-CD1 4.24Å; L233-I299 HydrophobicContact CD2-CG2 4Å; L233-I299 HydrophobicContact CG-CG2 4.1Å; H295-I299 WeakPolarHBondContact O-CG1 3.25Å; H295-I299 PolarHBondContact O-N 3.47Å; V296-I299 PolarHBondContact O-N 3.34Å; I299-E301 VanDerWaalsContact C-N 3.34Å; I299-E301 PolarHBondContact O-N 3.02Å; I299-K302 WeakPolarHBondContact O-CB 3.28Å; I299-K302 PolarHBondContact O-N 3.49Å; I299-K302 VanDerWaalsContact O-N 3.15Å; I299-L303 WeakPolarHBondContact O-CG 3.23Å; I299-L303 PolarHBondContact O-N 3.1Å; I299-L357 HydrophobicContact CB-CD1 3.81Å; I299-L357 HydrophobicContact CB-CD2 3.96Å; I299-L357 HydrophobicContact CD1-CD1 3.77Å; I299-L357 HydrophobicContact CG1-CD1 4.38Å; I299-L357 HydrophobicContact CG2-CD1 3.81Å; I299-L357 HydrophobicContact CG2-CD2 3.77Å; I299-L357 HydrophobicContact CG2-CG 4.35Å
300E86.6Confident83.9Confident30 Ų3055.7 Ų55.714%0.1428%0.283CS..Hα-helixtrans-63.8-38176-179.158.7-14900111.7V296 L297 K302 L303 Q304 R354 L357V296-E300 WeakPolarHBondContact O-CB 3.21Å; V296-E300 PolarHBondContact O-N 2.94Å; L297-E300 PolarHBondContact O-N 2.94Å; E300-K302 VanDerWaalsContact C-N 3.32Å; E300-K302 PolarHBondContact O-N 2.91Å; E300-L303 PolarHBondContact O-N 3.47Å; E300-Q304 WeakPolarHBondContact O-CG 3.44Å; E300-Q304 PolarHBondContact O-N 3.18Å; E300-Q304 PolarHBondContact OE1-NE2 3.04Å; E300-R354 IonicContact OE1-CZ 2.65Å; E300-R354 VanDerWaalsContact OE1-CZ 3.28Å; E300-R354 IonicContact OE1-NE 3.99Å; E300-R354 PolarHBondContact OE1-NE 2.99Å; E300-R354 VanDerWaalsContact OE1-NE 3.08Å; E300-R354 IonicContact OE1-NH2 2.61Å; E300-R354 PolarHBondContact OE1-NH2 3.11Å; E300-R354 IonicContact OE2-NE 3.28Å; E300-R354 PolarHBondContact OE2-NE 3.38Å; E300-R354 VanDerWaalsContact OE2-NE 3.14Å; E300-R354 IonicContact OE2-NH2 3.48Å; E300-L357 HydrophobicContact CB-CD2 4.1Å
301E88.7Confident84.1Confident89 Ų8958.6 Ų58.642%0.41630%0.298SS..Hα-helixtrans-62.1-40.4173.1-166-168.5156.300111.2L297 N298 I299 Q304 K305L297-E301 WeakPolarHBondContact O-CB 3.39Å; L297-E301 PolarHBondContact O-N 3.44Å; N298-E301 PolarHBondContact O-N 2.9Å; I299-E301 VanDerWaalsContact C-N 3.34Å; I299-E301 PolarHBondContact O-N 3.02Å; E301-Q304 PolarHBondContact O-N 2.87Å; E301-K305 WeakPolarHBondContact O-CB 3.44Å; E301-K305 WeakPolarHBondContact O-CG 3.47Å; E301-K305 PolarHBondContact O-N 2.97Å; E301-K305 WeakPolarHBondContact OE1-CE 3.47Å; E301-K305 IonicContact OE1-NZ 2.76Å; E301-K305 PolarHBondContact OE1-NZ 2.92Å
302K88.3Confident84.4Confident46 Ų4661.7 Ų61.720%0.232%0.315CS..Hα-helixtrans-63.9-41.6173.4-68.8-179.6-177.2-173.80111.7L225 S228 M229 D232 N298 I299 E300 K305 L306L225-K302 HydrophobicContact CD1-CB 4.13Å; L225-K302 HydrophobicContact CD1-CD 4.39Å; L225-K302 HydrophobicContact CD1-CG 3.97Å; S228-K302 PolarHBondContact OG-NZ 3.49Å; M229-K302 HydrophobicContact CB-CB 4.28Å; M229-K302 HydrophobicContact CB-CD 4.32Å; M229-K302 HydrophobicContact CG-CB 4.37Å; D232-K302 IonicContact OD2-NZ 2.71Å; D232-K302 PolarHBondContact OD2-NZ 3.32Å; N298-K302 WeakPolarHBondContact O-CG 3.46Å; N298-K302 PolarHBondContact O-N 2.97Å; N298-K302 VanDerWaalsContact O-N 3.12Å; I299-K302 WeakPolarHBondContact O-CB 3.28Å; I299-K302 PolarHBondContact O-N 3.49Å; I299-K302 VanDerWaalsContact O-N 3.15Å; E300-K302 VanDerWaalsContact C-N 3.32Å; E300-K302 PolarHBondContact O-N 2.91Å; K302-K305 PolarHBondContact O-N 3.15Å; K302-L306 WeakPolarHBondContact O-CG 3.35Å; K302-L306 PolarHBondContact O-N 2.81Å
303L86.6Confident84.7Confident1 Ų157.6 Ų57.61%0.00529%0.292CS..Hα-helixtrans-63.4-40.3175.5-72.5174.1000112M229 I299 E300 L306 D307 R353 R354 L357M229-L303 HydrophobicContact CE-CD2 3.98Å; M229-L303 HydrophobicContact CG-CD2 4.06Å; M229-L303 HydrophobicContact CG-CG 4.31Å; M229-L303 HydrophobicContact SD-CD2 3.85Å; I299-L303 WeakPolarHBondContact O-CG 3.23Å; I299-L303 PolarHBondContact O-N 3.1Å; E300-L303 PolarHBondContact O-N 3.47Å; L303-L306 HydrophobicContact CD2-CD1 4.38Å; L303-L306 WeakPolarHBondContact O-CB 3.49Å; L303-L306 PolarHBondContact O-N 3.24Å; L303-D307 PolarHBondContact O-N 2.9Å; L303-R353 HydrophobicContact CD2-CB 4.21Å; L303-R354 HydrophobicContact CD1-CB 4.39Å; L303-L357 HydrophobicContact CD1-CD2 4Å
304Q89.2Confident84.9Confident109 Ų10955.8 Ų55.851%0.50927%0.272SS..Hα-helixtrans-65.6-41.9174.6-73.1177.69.900112E300 E301 L306 D307 Q308E300-Q304 WeakPolarHBondContact O-CG 3.44Å; E300-Q304 PolarHBondContact O-N 3.18Å; E300-Q304 PolarHBondContact OE1-NE2 3.04Å; E301-Q304 PolarHBondContact O-N 2.87Å; Q304-L306 VanDerWaalsContact C-N 3.32Å; Q304-L306 PolarHBondContact O-N 3.26Å; Q304-D307 PolarHBondContact O-N 3.46Å; Q304-Q308 PolarHBondContact O-N 3.08Å
305K88.8Confident85Confident102 Ų10253.3 Ų53.344%0.44326%0.26SS..Hα-helixtrans-62.1-40.2173.2-76.1174.5-174.9164.70111.5L225 E301 K302 Q308 I309L225-K305 HydrophobicContact CD2-CB 3.63Å; E301-K305 WeakPolarHBondContact O-CB 3.44Å; E301-K305 WeakPolarHBondContact O-CG 3.47Å; E301-K305 PolarHBondContact O-N 2.97Å; E301-K305 WeakPolarHBondContact OE1-CE 3.47Å; E301-K305 IonicContact OE1-NZ 2.76Å; E301-K305 PolarHBondContact OE1-NZ 2.92Å; K302-K305 PolarHBondContact O-N 3.15Å; K305-Q308 PolarHBondContact O-N 2.76Å; K305-I309 VanDerWaalsContact O-CG1 3.25Å; K305-I309 WeakPolarHBondContact O-CG1 3.05Å; K305-I309 PolarHBondContact O-N 3.31Å
306L86.2Confident85Confident0 Ų051.5 Ų51.50%025%0.253CS..Hα-helixtrans-61.2-45.8173.8-78.8169.7000111.6W222 L225 Y226 M229 K302 L303 Q304 Q308 I309 Q310W222-L306 HydrophobicContact CG-CD2 4.3Å; L225-L306 HydrophobicContact CB-CD2 3.94Å; L225-L306 HydrophobicContact CB-CG 4.43Å; L225-L306 HydrophobicContact CD2-CB 4.47Å; L225-L306 HydrophobicContact CD2-CD2 3.81Å; L225-L306 HydrophobicContact CD2-CG 3.65Å; L225-L306 HydrophobicContact CG-CD2 3.91Å; L225-L306 HydrophobicContact CG-CG 3.85Å; Y226-L306 HydrophobicContact CD2-CD1 4.28Å; M229-L306 HydrophobicContact CB-CD1 4.41Å; M229-L306 HydrophobicContact CE-CD1 3.85Å; M229-L306 HydrophobicContact CG-CD1 4.43Å; K302-L306 WeakPolarHBondContact O-CG 3.35Å; K302-L306 PolarHBondContact O-N 2.81Å; L303-L306 HydrophobicContact CD2-CD1 4.38Å; L303-L306 WeakPolarHBondContact O-CB 3.49Å; L303-L306 PolarHBondContact O-N 3.24Å; Q304-L306 VanDerWaalsContact C-N 3.32Å; Q304-L306 PolarHBondContact O-N 3.26Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 2.96Å; L306-I309 PolarHBondContact O-N 3.24Å; L306-Q310 WeakPolarHBondContact O-CB 3.36Å; L306-Q310 VanDerWaalsContact O-CG 3.25Å; L306-Q310 WeakPolarHBondContact O-CG 3.5Å; L306-Q310 PolarHBondContact O-N 3.12Å
307D87.1Confident84.8Confident60 Ų6050.7 Ų50.732%0.32125%0.248SC..Hα-helixtrans-61-42.1176.4-161.735.6000110.9L303 Q304 Q310 I311 I350L303-D307 PolarHBondContact O-N 2.9Å; Q304-D307 PolarHBondContact O-N 3.46Å; D307-Q310 CarbonylContact O-C 3.54Å; D307-Q310 WeakPolarHBondContact O-CA 3.33Å; D307-Q310 WeakPolarHBondContact O-CB 3.44Å; D307-Q310 PolarHBondContact O-N 3.44Å; D307-I311 WeakPolarHBondContact O-CG1 3.29Å; D307-I311 PolarHBondContact O-N 3.33Å; D307-I350 HydrophobicContact CB-CD1 3.98Å
308Q88Confident84.6Confident103 Ų10348.3 Ų48.348%0.48123%0.231SC..Hα-helixtrans-65.3-42.8176.8-170.661.154.500112.6Q304 K305 L306 Q310 I311 N312Q304-Q308 PolarHBondContact O-N 3.08Å; K305-Q308 PolarHBondContact O-N 2.76Å; L306-Q308 VanDerWaalsContact C-N 3.31Å; L306-Q308 PolarHBondContact O-N 2.96Å; Q308-Q310 VanDerWaalsContact C-N 3.26Å; Q308-Q310 PolarHBondContact O-N 2.99Å; Q308-I311 PolarHBondContact O-N 3.43Å; Q308-N312 PolarHBondContact NE2-OD1 2.86Å; Q308-N312 WeakPolarHBondContact O-CB 3.5Å; Q308-N312 PolarHBondContact O-N 3.32Å; Q308-N312 PolarHBondContact O-ND2 3.01Å; Q308-N312 PolarHBondContact O-OD1 2.97Å
309I87.1Confident83.9Confident27 Ų2748.2 Ų48.214%0.13823%0.228CC..Hα-helixtrans-61.4-40.9173.8-68.1163.5000109.7I217 D221 W222 L225 K305 L306 I311 N312 W313I217-I309 HydrophobicContact CG2-CG2 3.65Å; D221-I309 HydrophobicContact CB-CD1 4.07Å; W222-I309 HydrophobicContact CB-CG2 3.98Å; W222-I309 HydrophobicContact CG-CG2 4.49Å; L225-I309 HydrophobicContact CD2-CD1 3.77Å; K305-I309 VanDerWaalsContact O-CG1 3.25Å; K305-I309 WeakPolarHBondContact O-CG1 3.05Å; K305-I309 PolarHBondContact O-N 3.31Å; L306-I309 PolarHBondContact O-N 3.24Å; I309-I311 VanDerWaalsContact C-N 3.31Å; I309-I311 PolarHBondContact O-N 3.38Å; I309-N312 PolarHBondContact O-N 3.45Å; I309-W313 VanDerWaalsContact O-CD1 3.26Å; I309-W313 PolarHBondContact O-N 3.4Å
310Q85.9Confident83.2Confident10 Ų1048.2 Ų48.25%0.04723%0.228CC..Hα-helixtrans-67.8-25.7175.9-73.8-177.425.200113.6W222 L306 D307 Q308 W313 F314W222-Q310 VanDerWaalsContact NE1-CG 3.31Å; L306-Q310 WeakPolarHBondContact O-CB 3.36Å; L306-Q310 VanDerWaalsContact O-CG 3.25Å; L306-Q310 WeakPolarHBondContact O-CG 3.5Å; L306-Q310 PolarHBondContact O-N 3.12Å; D307-Q310 CarbonylContact O-C 3.54Å; D307-Q310 WeakPolarHBondContact O-CA 3.33Å; D307-Q310 WeakPolarHBondContact O-CB 3.44Å; D307-Q310 PolarHBondContact O-N 3.44Å; Q308-Q310 VanDerWaalsContact C-N 3.26Å; Q308-Q310 PolarHBondContact O-N 2.99Å; Q310-W313 VanDerWaalsContact C-NE1 3.34Å; Q310-W313 HydrophobicContact CG-CZ2 4.42Å; Q310-W313 PolarHBondContact O-NE1 3.23Å; Q310-F314 WeakPolarHBondContact O-CD2 3.26Å
311I84.5Confident82Confident76 Ų7647.6 Ų47.639%0.3923%0.227SC..Hα-helixtrans-77.7-44.6170.8-69.2163000108.9D307 Q308 I309 W313 F314 E315D307-I311 WeakPolarHBondContact O-CG1 3.29Å; D307-I311 PolarHBondContact O-N 3.33Å; Q308-I311 PolarHBondContact O-N 3.43Å; I309-I311 VanDerWaalsContact C-N 3.31Å; I309-I311 PolarHBondContact O-N 3.38Å; I311-W313 PolarHBondContact O-N 3.01Å; I311-F314 PolarHBondContact O-N 3.04Å; I311-E315 HydrophobicContact CG2-CG 4.21Å; I311-E315 WeakPolarHBondContact O-CB 3.36Å; I311-E315 WeakPolarHBondContact O-CG 3.35Å; I311-E315 PolarHBondContact O-N 3.43Å
312N84.7Confident80.9Confident75 Ų7543.5 Ų43.540%0.40121%0.208SC..Hα-helixtrans-60.5-47-175.3-69.1-7.2000113.5Q308 I309 E315 L316Q308-N312 PolarHBondContact NE2-OD1 2.86Å; Q308-N312 WeakPolarHBondContact O-CB 3.5Å; Q308-N312 PolarHBondContact O-N 3.32Å; Q308-N312 PolarHBondContact O-ND2 3.01Å; Q308-N312 PolarHBondContact O-OD1 2.97Å; I309-N312 PolarHBondContact O-N 3.45Å; N312-E315 WeakPolarHBondContact O-CB 3.18Å; N312-E315 PolarHBondContact O-N 3.49Å; N312-L316 WeakPolarHBondContact O-CG 3.33Å; N312-L316 PolarHBondContact O-N 3.5Å
313W82.7Confident79.7Confident1 Ų143.4 Ų43.40%0.00421%0.208CC..Hα-helixtrans-69.1-29.8178.476.3-28.2000113.5I214 I217 I218 I309 Q310 I311 L316 F317 L346 I497I214-W313 HydrophobicContact CG1-CB 4.48Å; I214-W313 HydrophobicContact CG2-CB 4.27Å; I214-W313 HydrophobicContact CG2-CE3 4Å; I217-W313 HydrophobicContact CG2-CB 4.45Å; I218-W313 HydrophobicContact CB-CZ3 4.47Å; I218-W313 HydrophobicContact CD1-CE3 3.34Å; I218-W313 HydrophobicContact CD1-CZ3 3.26Å; I218-W313 HydrophobicContact CG1-CD2 4.35Å; I218-W313 HydrophobicContact CG1-CE3 3.11Å; I218-W313 HydrophobicContact CG1-CH2 4.46Å; I218-W313 HydrophobicContact CG1-CZ3 3.19Å; I309-W313 VanDerWaalsContact O-CD1 3.26Å; I309-W313 PolarHBondContact O-N 3.4Å; Q310-W313 VanDerWaalsContact C-NE1 3.34Å; Q310-W313 HydrophobicContact CG-CZ2 4.42Å; Q310-W313 PolarHBondContact O-NE1 3.23Å; I311-W313 PolarHBondContact O-N 3.01Å; W313-L316 PolarHBondContact O-N 3.44Å; W313-F317 WeakPolarHBondContact O-CB 3.27Å; W313-F317 PolarHBondContact O-N 3.24Å; W313-L346 HydrophobicContact CH2-CD1 3.74Å; W313-L346 HydrophobicContact CZ2-CD1 3.38Å; W313-I497 HydrophobicContact CH2-CD1 3.88Å; W313-I497 HydrophobicContact CH2-CG1 3.98Å; W313-I497 HydrophobicContact CH2-CG2 4.14Å; W313-I497 HydrophobicContact CZ3-CD1 4.42Å; W313-I497 HydrophobicContact CZ3-CG1 4.5Å; W313-I497 HydrophobicContact CZ3-CG2 3.81Å
314F80.9Confident78.5Confident8 Ų849 Ų494%0.03524%0.238CC..Hα-helixtrans-75.1-37.2175.1-85.3-53.7000109.6Q310 I311 F317 Y318 T339 L342 Q343 L346 W500Q310-F314 WeakPolarHBondContact O-CD2 3.26Å; I311-F314 PolarHBondContact O-N 3.04Å; F314-F317 CarbonylContact O-C 3.6Å; F314-F317 WeakPolarHBondContact O-CA 3.43Å; F314-F317 WeakPolarHBondContact O-CB 3.32Å; F314-F317 PolarHBondContact O-N 3.36Å; F314-F317 VanDerWaalsContact O-N 3.15Å; F314-Y318 HydrophobicContact CB-CE2 4.33Å; F314-Y318 WeakPolarHBondContact O-CD1 3.39Å; F314-Y318 VanDerWaalsContact O-CD2 3.26Å; F314-Y318 WeakPolarHBondContact O-CD2 3.5Å; F314-Y318 PolarHBondContact O-N 3.44Å; F314-T339 HydrophobicContact CE1-CG2 4.16Å; F314-L342 HydrophobicContact CZ-CD2 4.35Å; F314-L342 HydrophobicContact CZ-CG 4.46Å; F314-Q343 HydrophobicContact CD2-CG 4.38Å; F314-Q343 HydrophobicContact CE2-CB 4.08Å; F314-Q343 HydrophobicContact CE2-CG 3.99Å; F314-Q343 HydrophobicContact CZ-CB 4.02Å; F314-Q343 HydrophobicContact CZ-CG 4.41Å; F314-L346 HydrophobicContact CE2-CD1 4.44Å; F314-W500 HydrophobicContact CE1-CZ2 4.44Å
315E81Confident77.3Confident96 Ų9647 Ų4745%0.44923%0.228SC..Hα-helixtrans-60.9-44.2168.8-78.9-65.8156.700111.9I311 N312 F317 Y318 Q319I311-E315 HydrophobicContact CG2-CG 4.21Å; I311-E315 WeakPolarHBondContact O-CB 3.36Å; I311-E315 WeakPolarHBondContact O-CG 3.35Å; I311-E315 PolarHBondContact O-N 3.43Å; N312-E315 WeakPolarHBondContact O-CB 3.18Å; N312-E315 PolarHBondContact O-N 3.49Å; E315-F317 VanDerWaalsContact C-N 3.26Å; E315-F317 PolarHBondContact O-N 2.89Å; E315-Y318 WeakPolarHBondContact O-CB 3.39Å; E315-Y318 PolarHBondContact O-N 3.4Å; E315-Y318 VanDerWaalsContact O-N 3.16Å; E315-Q319 WeakPolarHBondContact O-CG 3.25Å; E315-Q319 PolarHBondContact O-N 2.73Å
316L76.8Confident75.9Confident31 Ų3142.3 Ų42.316%0.16221%0.208CC..Hα-helixtrans-59.7-39.5171.9-74172000111.5I210 I214 I217 N312 W313 Q319I210-L316 WeakPolarHBondContact CG2-O 3.45Å; I214-L316 HydrophobicContact CD1-CB 4.1Å; I214-L316 HydrophobicContact CG1-CB 3.88Å; I214-L316 HydrophobicContact CG1-CD1 4.37Å; I217-L316 HydrophobicContact CD1-CD1 3.3Å; N312-L316 WeakPolarHBondContact O-CG 3.33Å; N312-L316 PolarHBondContact O-N 3.5Å; W313-L316 PolarHBondContact O-N 3.44Å; L316-Q319 WeakPolarHBondContact O-CB 3.49Å; L316-Q319 PolarHBondContact O-N 2.96Å
317F78.3Confident74.8Confident2 Ų244.1 Ų44.11%0.00922%0.217CC..Hα-helixtrans-65.4-39.1175.3178.4-107.4000112.3L211 I214 W313 F314 E315 Q319 S320 F323 L326 T339 W500 M504L211-F317 HydrophobicContact CD2-CD2 4.39Å; I214-F317 HydrophobicContact CD1-CB 3.83Å; W313-F317 WeakPolarHBondContact O-CB 3.27Å; W313-F317 PolarHBondContact O-N 3.24Å; F314-F317 CarbonylContact O-C 3.6Å; F314-F317 WeakPolarHBondContact O-CA 3.43Å; F314-F317 WeakPolarHBondContact O-CB 3.32Å; F314-F317 PolarHBondContact O-N 3.36Å; F314-F317 VanDerWaalsContact O-N 3.15Å; E315-F317 VanDerWaalsContact C-N 3.26Å; E315-F317 PolarHBondContact O-N 2.89Å; F317-Q319 PolarHBondContact O-N 3.45Å; F317-S320 WeakPolarHBondContact O-CB 3.39Å; F317-S320 PolarHBondContact O-N 2.81Å; F317-F323 HydrophobicContact CD1-CD2 4.43Å; F317-F323 HydrophobicContact CE1-CD2 4.19Å; F317-L326 HydrophobicContact CE2-CD1 4.38Å; F317-L326 HydrophobicContact CZ-CD1 4.08Å; F317-T339 HydrophobicContact CE1-CG2 4.12Å; F317-W500 HydrophobicContact CB-CH2 4.23Å; F317-W500 HydrophobicContact CD1-CH2 4.37Å; F317-W500 AromaticContact CD1-CZ2 3.96Å; F317-W500 HydrophobicContact CD1-CZ2 3.96Å; F317-W500 AromaticContact CD2-CH2 3.65Å; F317-W500 HydrophobicContact CD2-CH2 3.65Å; F317-W500 AromaticContact CD2-CZ2 3.73Å; F317-W500 HydrophobicContact CD2-CZ2 3.73Å; F317-W500 AromaticContact CE1-CZ2 3.97Å; F317-W500 HydrophobicContact CE1-CZ2 3.97Å; F317-W500 HydrophobicContact CE2-CH2 4.08Å; F317-W500 AromaticContact CE2-CZ2 3.74Å; F317-W500 HydrophobicContact CE2-CZ2 3.74Å; F317-W500 AromaticContact CG-CH2 3.81Å; F317-W500 HydrophobicContact CG-CH2 3.81Å; F317-W500 AromaticContact CG-CZ2 3.83Å; F317-W500 HydrophobicContact CG-CZ2 3.83Å; F317-W500 AromaticContact CZ-CZ2 3.85Å; F317-W500 HydrophobicContact CZ-CZ2 3.85Å; F317-M504 HydrophobicContact CE2-CB 4.44Å; F317-M504 HydrophobicContact CE2-CE 3.56Å; F317-M504 HydrophobicContact CE2-CG 3.82Å; F317-M504 HydrophobicContact CE2-SD 4.07Å; F317-M504 HydrophobicContact CZ-CE 3.38Å; F317-M504 HydrophobicContact CZ-CG 4.23Å; F317-M504 HydrophobicContact CZ-SD 3.88Å
318Y76.3Confident73.6Confident69 Ų6946.3 Ų46.327%0.27123%0.228SC..Hα-helixtrans-65.8-21.9174.2-60.1-24.3000112.6F314 E315 S320 F323F314-Y318 HydrophobicContact CB-CE2 4.33Å; F314-Y318 WeakPolarHBondContact O-CD1 3.39Å; F314-Y318 VanDerWaalsContact O-CD2 3.26Å; F314-Y318 WeakPolarHBondContact O-CD2 3.5Å; F314-Y318 PolarHBondContact O-N 3.44Å; E315-Y318 WeakPolarHBondContact O-CB 3.39Å; E315-Y318 PolarHBondContact O-N 3.4Å; E315-Y318 VanDerWaalsContact O-N 3.16Å; Y318-S320 PolarHBondContact O-N 3.03Å; Y318-F323 AromaticContact CD1-CD2 3.54Å; Y318-F323 HydrophobicContact CD1-CD2 3.54Å; Y318-F323 HydrophobicContact CD1-CE1 4.35Å; Y318-F323 AromaticContact CD1-CE2 2.98Å; Y318-F323 HydrophobicContact CD1-CE2 2.98Å; Y318-F323 HydrophobicContact CD1-CG 4.4Å; Y318-F323 AromaticContact CD1-CZ 3.45Å; Y318-F323 HydrophobicContact CD1-CZ 3.45Å; Y318-F323 VanDerWaalsContact CD1-CZ 3.45Å; Y318-F323 HydrophobicContact CE1-CD2 4.26Å; Y318-F323 AromaticContact CE1-CE2 3.35Å; Y318-F323 HydrophobicContact CE1-CE2 3.35Å; Y318-F323 AromaticContact CE1-CZ 3.78Å; Y318-F323 HydrophobicContact CE1-CZ 3.78Å; Y318-F323 HydrophobicContact CG-CD2 4.41Å; Y318-F323 AromaticContact CG-CE2 3.97Å; Y318-F323 HydrophobicContact CG-CE2 3.97Å; Y318-F323 HydrophobicContact CG-CZ 4.09Å
319Q69.4Low72Confident72 Ų7248.4 Ų48.434%0.33624%0.243SC..THydrogen-bonded Turntrans-76-6.5169.7-64.816926.100113.3Y206 I210 E315 L316 F317 S321 K574Y206-Q319 WeakPolarHBondContact CE1-O 3.32Å; I210-Q319 HydrophobicContact CD1-CB 4.28Å; E315-Q319 WeakPolarHBondContact O-CG 3.25Å; E315-Q319 PolarHBondContact O-N 2.73Å; L316-Q319 WeakPolarHBondContact O-CB 3.49Å; L316-Q319 PolarHBondContact O-N 2.96Å; F317-Q319 PolarHBondContact O-N 3.45Å; Q319-S321 PolarHBondContact O-N 3.27Å; Q319-K574 PolarHBondContact O-NZ 2.74Å
320S71Confident70.5Confident5 Ų551.8 Ų51.84%0.03526%0.261CS..SBendtrans-59.9137.9174.2178.40000111.4D207 F317 Y318 H322 F323D207-S320 VanDerWaalsContact CG-OG 3.23Å; D207-S320 WeakPolarHBondContact OD1-CA 3.32Å; D207-S320 WeakPolarHBondContact OD1-CB 3.31Å; D207-S320 PolarHBondContact OD1-OG 3.23Å; F317-S320 WeakPolarHBondContact O-CB 3.39Å; F317-S320 PolarHBondContact O-N 2.81Å; Y318-S320 PolarHBondContact O-N 3.03Å; S320-H322 PolarHBondContact O-N 2.81Å; S320-H322 VanDerWaalsContact O-N 3.15Å; S320-H322 PolarHBondContact OG-N 3.08Å; S320-F323 VanDerWaalsContact O-CB 3.29Å; S320-F323 WeakPolarHBondContact O-CB 3.5Å; S320-F323 PolarHBondContact O-N 2.96Å
321S60.5Low68.8Low17 Ų1757.7 Ų57.712%0.11930%0.3CS..THydrogen-bonded Turntrans-61.6-24.5178.283.10000112.7F203 D207 Q319F203-S321 VanDerWaalsContact CD1-OG 3.28Å; F203-S321 WeakPolarHBondContact CD1-OG 3.34Å; D207-S321 PolarHBondContact OD1-N 3.26Å; D207-S321 PolarHBondContact OD2-OG 3.14Å; Q319-S321 PolarHBondContact O-N 3.27Å
322H64.9Low67.4Low4 Ų461.8 Ų61.82%0.01932%0.32CS..THydrogen-bonded Turntrans-94.30.1179.1-62.297.4000113.4D207 S320 N324 E325 L326 I511 R515D207-H322 IonicContact OD2-CE1 3.64Å; D207-H322 PolarHBondContact OD2-CE1 2.94Å; D207-H322 IonicContact OD2-CG 2.7Å; D207-H322 IonicContact OD2-ND1 3.93Å; D207-H322 PolarHBondContact OD2-ND1 3.46Å; S320-H322 PolarHBondContact O-N 2.81Å; S320-H322 VanDerWaalsContact O-N 3.15Å; S320-H322 PolarHBondContact OG-N 3.08Å; H322-N324 VanDerWaalsContact C-N 3.3Å; H322-N324 PolarHBondContact O-N 3.44Å; H322-E325 IonicContact CD2-OE2 3.9Å; H322-E325 PolarHBondContact O-N 3.17Å; H322-L326 HydrophobicContact CB-CD1 4.02Å; H322-L326 HydrophobicContact CB-CG 4.29Å; H322-L326 WeakPolarHBondContact O-CB 3.37Å; H322-L326 VanDerWaalsContact O-CG 3.27Å; H322-L326 WeakPolarHBondContact O-CG 3.42Å; H322-L326 PolarHBondContact O-N 3.27Å; H322-I511 HydrophobicContact CB-CD1 4.18Å; H322-I511 WeakPolarHBondContact CD2-CG2 3.4Å; H322-R515 PolarHBondContact NE2-NH1 2.93Å; H322-R515 VanDerWaalsContact NE2-NH1 3.1Å
323F63.3Low66.6Low43 Ų4359.3 Ų59.319%0.18931%0.307CS..Hα-helixtrans-52-47.2-177.3173.6-106.8000112.6F317 Y318 S320 E325 L326 M327F317-F323 HydrophobicContact CD1-CD2 4.43Å; F317-F323 HydrophobicContact CE1-CD2 4.19Å; Y318-F323 AromaticContact CD1-CD2 3.54Å; Y318-F323 HydrophobicContact CD1-CD2 3.54Å; Y318-F323 HydrophobicContact CD1-CE1 4.35Å; Y318-F323 AromaticContact CD1-CE2 2.98Å; Y318-F323 HydrophobicContact CD1-CE2 2.98Å; Y318-F323 HydrophobicContact CD1-CG 4.4Å; Y318-F323 AromaticContact CD1-CZ 3.45Å; Y318-F323 HydrophobicContact CD1-CZ 3.45Å; Y318-F323 VanDerWaalsContact CD1-CZ 3.45Å; Y318-F323 HydrophobicContact CE1-CD2 4.26Å; Y318-F323 AromaticContact CE1-CE2 3.35Å; Y318-F323 HydrophobicContact CE1-CE2 3.35Å; Y318-F323 AromaticContact CE1-CZ 3.78Å; Y318-F323 HydrophobicContact CE1-CZ 3.78Å; Y318-F323 HydrophobicContact CG-CD2 4.41Å; Y318-F323 AromaticContact CG-CE2 3.97Å; Y318-F323 HydrophobicContact CG-CE2 3.97Å; Y318-F323 HydrophobicContact CG-CZ 4.09Å; S320-F323 VanDerWaalsContact O-CB 3.29Å; S320-F323 WeakPolarHBondContact O-CB 3.5Å; S320-F323 PolarHBondContact O-N 2.96Å; F323-E325 VanDerWaalsContact C-N 3.27Å; F323-E325 PolarHBondContact O-N 2.86Å; F323-L326 CarbonylContact O-C 3.56Å; F323-L326 PolarHBondContact O-N 2.91Å; F323-M327 HydrophobicContact CD2-CG 3.65Å; F323-M327 HydrophobicContact CE1-CG 4.24Å; F323-M327 HydrophobicContact CE2-CB 4.32Å; F323-M327 HydrophobicContact CE2-CE 4.41Å; F323-M327 HydrophobicContact CE2-CG 3.19Å; F323-M327 HydrophobicContact CE2-SD 4.11Å; F323-M327 HydrophobicContact CG-CG 4.34Å; F323-M327 HydrophobicContact CZ-CB 4.31Å; F323-M327 HydrophobicContact CZ-CG 3.57Å; F323-M327 WeakPolarHBondContact O-CB 3.2Å; F323-M327 WeakPolarHBondContact O-CG 3.26Å; F323-M327 PolarHBondContact O-N 3.43Å
324N61.6Low66Low120 Ų12064.3 Ų64.364%0.64233%0.326SS*.Hα-helixtrans-61.3-35.9179.1-71.2-29.2000112.5H322 L328H322-N324 VanDerWaalsContact C-N 3.3Å; H322-N324 PolarHBondContact O-N 3.44Å; N324-L328 WeakPolarHBondContact O-CG 3.41Å; N324-L328 PolarHBondContact O-N 2.85Å; N324-L328 VanDerWaalsContact O-N 3.09Å
325E63.5Low65.5Low66 Ų6665.5 Ų65.531%0.30833%0.332SS..Hα-helixtrans-75.5-37.9177.3-71.8177.6-17300112H322 F323 M327 L328 I511 R515H322-E325 IonicContact CD2-OE2 3.9Å; H322-E325 PolarHBondContact O-N 3.17Å; F323-E325 VanDerWaalsContact C-N 3.27Å; F323-E325 PolarHBondContact O-N 2.86Å; E325-M327 PolarHBondContact O-N 2.89Å; E325-L328 HydrophobicContact CB-CD1 4.32Å; E325-L328 HydrophobicContact CG-CD1 4.4Å; E325-I511 WeakPolarHBondContact OE2-CG2 3.45Å; E325-R515 VanDerWaalsContact CD-NH2 3.26Å; E325-R515 IonicContact OE1-CZ 3.95Å; E325-R515 IonicContact OE1-NE 2.64Å; E325-R515 IonicContact OE1-NH2 2.6Å; E325-R515 PolarHBondContact OE1-NH2 3.34Å; E325-R515 IonicContact OE2-NH2 2.7Å; E325-R515 PolarHBondContact OE2-NH2 2.64Å
326L60.4Low65.1Low4 Ų463.1 Ų63.12%0.02132%0.32CS..Hα-helixtrans-67.3-22.5174.5-68.3165.3000112.3F317 H322 F323 N333 M504 R507 I511F317-L326 HydrophobicContact CE2-CD1 4.38Å; F317-L326 HydrophobicContact CZ-CD1 4.08Å; H322-L326 HydrophobicContact CB-CD1 4.02Å; H322-L326 HydrophobicContact CB-CG 4.29Å; H322-L326 WeakPolarHBondContact O-CB 3.37Å; H322-L326 VanDerWaalsContact O-CG 3.27Å; H322-L326 WeakPolarHBondContact O-CG 3.42Å; H322-L326 PolarHBondContact O-N 3.27Å; F323-L326 CarbonylContact O-C 3.56Å; F323-L326 PolarHBondContact O-N 2.91Å; L326-N333 PolarHBondContact O-ND2 3.34Å; L326-N333 PolarHBondContact O-OD1 2.98Å; L326-M504 HydrophobicContact CB-CE 4.43Å; L326-M504 HydrophobicContact CD1-CE 3.27Å; L326-M504 HydrophobicContact CD2-CE 3.45Å; L326-M504 VanDerWaalsContact CD2-CE 3.45Å; L326-M504 HydrophobicContact CG-CE 3.86Å; L326-R507 HydrophobicContact CD2-CB 4.27Å; L326-R507 HydrophobicContact CD2-CG 3.38Å; L326-I511 HydrophobicContact CD2-CD1 4.45Å
327M62.5Low64.9Low38 Ų3866.8 Ų66.819%0.18734%0.336CS..THydrogen-bonded Turntrans-111.66.6-178.4-63.6-58.5-77.100114.5F323 E325 D329 K336F323-M327 HydrophobicContact CD2-CG 3.65Å; F323-M327 HydrophobicContact CE1-CG 4.24Å; F323-M327 HydrophobicContact CE2-CB 4.32Å; F323-M327 HydrophobicContact CE2-CE 4.41Å; F323-M327 HydrophobicContact CE2-CG 3.19Å; F323-M327 HydrophobicContact CE2-SD 4.11Å; F323-M327 HydrophobicContact CG-CG 4.34Å; F323-M327 HydrophobicContact CZ-CB 4.31Å; F323-M327 HydrophobicContact CZ-CG 3.57Å; F323-M327 WeakPolarHBondContact O-CB 3.2Å; F323-M327 WeakPolarHBondContact O-CG 3.26Å; F323-M327 PolarHBondContact O-N 3.43Å; E325-M327 PolarHBondContact O-N 2.89Å; M327-D329 PolarHBondContact O-N 3.25Å; M327-K336 HydrophobicContact CE-CD 4.19Å; M327-K336 HydrophobicContact CE-CG 3.84Å; M327-K336 PolarHBondContact O-NZ 3.39Å; M327-K336 HydrophobicContact SD-CB 4.06Å; M327-K336 HydrophobicContact SD-CD 4.37Å; M327-K336 HydrophobicContact SD-CG 3.88Å
328L61.6Low64.9Low105 Ų10567 Ų6755%0.5534%0.338SS..  trans-48.4133.8172.3-88.5158.8000110N324 E325 N330 N333N324-L328 WeakPolarHBondContact O-CG 3.41Å; N324-L328 PolarHBondContact O-N 2.85Å; N324-L328 VanDerWaalsContact O-N 3.09Å; E325-L328 HydrophobicContact CB-CD1 4.32Å; E325-L328 HydrophobicContact CG-CD1 4.4Å; L328-N330 PolarHBondContact O-N 2.86Å; L328-N333 PolarHBondContact O-ND2 3.44Å
329D55Low65Low148 Ų14864 Ų6479%0.79133%0.326SS*.  trans-72.154.7176.8-75.3-33000111.8M327 K336M327-D329 PolarHBondContact O-N 3.25Å; D329-K336 IonicContact OD1-NZ 2.68Å; D329-K336 PolarHBondContact OD1-NZ 2.89Å
330N56.2Low65.5Low98 Ų9862.8 Ų62.852%0.52432%0.321SS..  trans-94.1126.3167.6-167-25000107.9L328 M332 N333L328-N330 PolarHBondContact O-N 2.86Å; N330-M332 PolarHBondContact O-N 3.4Å; N330-M332 PolarHBondContact OD1-N 3.09Å; N330-N333 VanDerWaalsContact O-CB 3.27Å; N330-N333 WeakPolarHBondContact O-CB 3.17Å; N330-N333 PolarHBondContact O-N 3.35Å
331P50.5Low65.8Low133 Ų13365.4 Ų65.486%0.86433%0.333SS*.THydrogen-bonded Turntrans-57.1-13.4176.721.3-33.6000114.1
332M54.8Low66.8Low163 Ų16364.6 Ų64.680%0.80333%0.328SS*.THydrogen-bonded Turntrans-947.5175.5-75.3-70.3172.200114.7N330 Y334N330-M332 PolarHBondContact O-N 3.4Å; N330-M332 PolarHBondContact OD1-N 3.09Å; M332-Y334 VanDerWaalsContact C-N 3.34Å; M332-Y334 PolarHBondContact O-N 2.85Å
333N67.6Low67.6Low23 Ų2368.3 Ų68.312%0.12335%0.345CS..  trans-8279.3-177.5-164.3-13.7000111.6L326 L328 N330 E335 K336 E337L326-N333 PolarHBondContact O-ND2 3.34Å; L326-N333 PolarHBondContact O-OD1 2.98Å; L328-N333 PolarHBondContact O-ND2 3.44Å; N330-N333 VanDerWaalsContact O-CB 3.27Å; N330-N333 WeakPolarHBondContact O-CB 3.17Å; N330-N333 PolarHBondContact O-N 3.35Å; N333-E335 PolarHBondContact O-N 3.28Å; N333-E335 PolarHBondContact OD1-OE2 3.26Å; N333-K336 HydrophobicContact CB-CB 4.17Å; N333-K336 PolarHBondContact O-N 3.4Å; N333-K336 PolarHBondContact OD1-N 3.03Å; N333-E337 PolarHBondContact O-N 3.11Å
334Y69.8Low68.4Low106 Ų10671.2 Ų71.242%0.41636%0.358SS..Hα-helixtrans-56.6-34.6179.7-179.8-115.2000112.4M332 E337 I338 F475 L503M332-Y334 VanDerWaalsContact C-N 3.34Å; M332-Y334 PolarHBondContact O-N 2.85Å; Y334-E337 PolarHBondContact O-N 3.3Å; Y334-I338 HydrophobicContact CD1-CD1 3.64Å; Y334-I338 HydrophobicContact CD1-CG1 4.43Å; Y334-I338 HydrophobicContact CD2-CD1 4.48Å; Y334-I338 HydrophobicContact CE1-CD1 3.14Å; Y334-I338 HydrophobicContact CE1-CG1 4.15Å; Y334-I338 HydrophobicContact CE2-CD1 4.06Å; Y334-I338 HydrophobicContact CE2-CG1 4.26Å; Y334-I338 HydrophobicContact CG-CD1 4.3Å; Y334-I338 WeakPolarHBondContact O-CG1 3.32Å; Y334-I338 PolarHBondContact O-N 2.96Å; Y334-F475 HydrophobicContact CE1-CB 4.36Å; Y334-F475 HydrophobicContact CE1-CD1 4.22Å; Y334-F475 HydrophobicContact CE1-CG 4.13Å; Y334-F475 WeakPolarHBondContact OH-CD1 3.23Å; Y334-L503 HydrophobicContact CD1-CD1 4.25Å; Y334-L503 HydrophobicContact CE1-CD1 4.13Å
335E70.9Confident69.2Low32 Ų3266.2 Ų66.215%0.1533%0.331CS..Hα-helixtrans-69-38.2-178.1-58.794.8142.200112.4N333 T339 L503 R507N333-E335 PolarHBondContact O-N 3.28Å; N333-E335 PolarHBondContact OD1-OE2 3.26Å; E335-T339 WeakPolarHBondContact O-CB 3.18Å; E335-T339 PolarHBondContact O-N 3.46Å; E335-T339 PolarHBondContact O-OG1 2.75Å; E335-L503 HydrophobicContact CB-CD2 3.93Å; E335-L503 HydrophobicContact CG-CD1 4.43Å; E335-L503 HydrophobicContact CG-CD2 3.63Å; E335-L503 HydrophobicContact CG-CG 4.21Å; E335-R507 WeakPolarHBondContact OE1-CD 3.33Å; E335-R507 IonicContact OE1-CZ 2.77Å; E335-R507 IonicContact OE1-NE 3Å; E335-R507 PolarHBondContact OE1-NE 3.11Å
336K73.1Confident70.1Confident46 Ų4663 Ų6320%0.232%0.316CS..Hα-helixtrans-61.2-47.2171.6174.9171.8-177.71630111.2M327 D329 N333 T339 I340M327-K336 HydrophobicContact CE-CD 4.19Å; M327-K336 HydrophobicContact CE-CG 3.84Å; M327-K336 PolarHBondContact O-NZ 3.39Å; M327-K336 HydrophobicContact SD-CB 4.06Å; M327-K336 HydrophobicContact SD-CD 4.37Å; M327-K336 HydrophobicContact SD-CG 3.88Å; D329-K336 IonicContact OD1-NZ 2.68Å; D329-K336 PolarHBondContact OD1-NZ 2.89Å; N333-K336 HydrophobicContact CB-CB 4.17Å; N333-K336 PolarHBondContact O-N 3.4Å; N333-K336 PolarHBondContact OD1-N 3.03Å; K336-T339 PolarHBondContact O-N 2.97Å; K336-I340 HydrophobicContact CG-CD1 3.74Å; K336-I340 HydrophobicContact CG-CG1 4.48Å; K336-I340 VanDerWaalsContact O-CG1 3.29Å; K336-I340 WeakPolarHBondContact O-CG1 3.5Å; K336-I340 PolarHBondContact O-N 3.32Å
337E72.9Confident71.2Confident109 Ų10969.9 Ų69.951%0.50935%0.345SS..Hα-helixtrans-63.3-44.2-179.4-172.761-163.700111.3N333 Y334 T339 I340 Q341N333-E337 PolarHBondContact O-N 3.11Å; Y334-E337 PolarHBondContact O-N 3.3Å; E337-T339 PolarHBondContact O-N 3.33Å; E337-I340 PolarHBondContact O-N 3.43Å; E337-Q341 VanDerWaalsContact O-CB 3.27Å; E337-Q341 WeakPolarHBondContact O-CB 3.13Å; E337-Q341 PolarHBondContact O-N 3.08Å
338I76.2Confident72Confident7 Ų771.6 Ų71.64%0.03636%0.355CS..Hα-helixtrans-58.4-47173.6-74.6-178.4000111.3Y334 I340 Q341 L342 F475 W478 L503Y334-I338 HydrophobicContact CD1-CD1 3.64Å; Y334-I338 HydrophobicContact CD1-CG1 4.43Å; Y334-I338 HydrophobicContact CD2-CD1 4.48Å; Y334-I338 HydrophobicContact CE1-CD1 3.14Å; Y334-I338 HydrophobicContact CE1-CG1 4.15Å; Y334-I338 HydrophobicContact CE2-CD1 4.06Å; Y334-I338 HydrophobicContact CE2-CG1 4.26Å; Y334-I338 HydrophobicContact CG-CD1 4.3Å; Y334-I338 WeakPolarHBondContact O-CG1 3.32Å; Y334-I338 PolarHBondContact O-N 2.96Å; I338-I340 VanDerWaalsContact C-N 3.35Å; I338-I340 PolarHBondContact O-N 3.1Å; I338-Q341 PolarHBondContact O-N 3.42Å; I338-L342 WeakPolarHBondContact O-CB 3.49Å; I338-L342 PolarHBondContact O-N 3.17Å; I338-F475 HydrophobicContact CD1-CD1 4.27Å; I338-F475 HydrophobicContact CD1-CE1 3.81Å; I338-F475 HydrophobicContact CD1-CZ 4.16Å; I338-W478 HydrophobicContact CB-CZ3 4.49Å; I338-W478 HydrophobicContact CG1-CE3 4.36Å; I338-W478 HydrophobicContact CG2-CE3 4.02Å; I338-W478 HydrophobicContact CG2-CH2 3.73Å; I338-W478 HydrophobicContact CG2-CZ3 3.38Å; I338-L503 HydrophobicContact CD1-CD1 3.69Å
339T79.1Confident72.9Confident4 Ų466.7 Ų66.73%0.02533%0.33CS..Hα-helixtrans-64.2-42.4-176.9-55.80000111F314 F317 E335 K336 E337 L342 Q343 W500F314-T339 HydrophobicContact CE1-CG2 4.16Å; F317-T339 HydrophobicContact CE1-CG2 4.12Å; E335-T339 WeakPolarHBondContact O-CB 3.18Å; E335-T339 PolarHBondContact O-N 3.46Å; E335-T339 PolarHBondContact O-OG1 2.75Å; K336-T339 PolarHBondContact O-N 2.97Å; E337-T339 PolarHBondContact O-N 3.33Å; T339-L342 PolarHBondContact O-N 3.47Å; T339-Q343 PolarHBondContact O-N 3.16Å; T339-W500 HydrophobicContact CG2-CZ2 4.27Å; T339-W500 PolarHBondContact OG1-NE1 3.02Å
340I79.4Confident74.1Confident47 Ų4759.9 Ų59.924%0.24129%0.293CS..Hα-helixtrans-64.5-42.1175-68.3168.7000110.6K336 E337 I338 Q343 K344K336-I340 HydrophobicContact CG-CD1 3.74Å; K336-I340 HydrophobicContact CG-CG1 4.48Å; K336-I340 VanDerWaalsContact O-CG1 3.29Å; K336-I340 WeakPolarHBondContact O-CG1 3.5Å; K336-I340 PolarHBondContact O-N 3.32Å; E337-I340 PolarHBondContact O-N 3.43Å; I338-I340 VanDerWaalsContact C-N 3.35Å; I338-I340 PolarHBondContact O-N 3.1Å; I340-Q343 PolarHBondContact O-N 3.38Å; I340-K344 HydrophobicContact CG2-CD 4.22Å; I340-K344 WeakPolarHBondContact O-CG 3.4Å; I340-K344 PolarHBondContact O-N 2.93Å
341Q77.7Confident75.2Confident60 Ų6057.3 Ų57.328%0.2828%0.283SS..Hα-helixtrans-64.9-42.8178.8-171.858.732.200111.3E337 I338 Q343 K344 D345 W478E337-Q341 VanDerWaalsContact O-CB 3.27Å; E337-Q341 WeakPolarHBondContact O-CB 3.13Å; E337-Q341 PolarHBondContact O-N 3.08Å; I338-Q341 PolarHBondContact O-N 3.42Å; Q341-Q343 VanDerWaalsContact C-N 3.35Å; Q341-Q343 PolarHBondContact O-N 3.15Å; Q341-K344 PolarHBondContact O-N 2.81Å; Q341-D345 PolarHBondContact NE2-OD1 3.48Å; Q341-D345 WeakPolarHBondContact O-CB 3.36Å; Q341-D345 PolarHBondContact O-N 2.82Å; Q341-W478 HydrophobicContact CG-CZ2 4.38Å
342L81.7Confident76.5Confident1 Ų153.2 Ų53.21%0.00525%0.254CS..Hα-helixtrans-59.5-45.5174.6-176.365000111.4F314 I338 T339 K344 D345 L346 W478 N496 I497 W500F314-L342 HydrophobicContact CZ-CD2 4.35Å; F314-L342 HydrophobicContact CZ-CG 4.46Å; I338-L342 WeakPolarHBondContact O-CB 3.49Å; I338-L342 PolarHBondContact O-N 3.17Å; T339-L342 PolarHBondContact O-N 3.47Å; L342-K344 VanDerWaalsContact C-N 3.33Å; L342-K344 PolarHBondContact O-N 3.44Å; L342-D345 PolarHBondContact O-N 3.01Å; L342-L346 HydrophobicContact CD1-CD1 4.14Å; L342-L346 HydrophobicContact CD1-CG 4.26Å; L342-L346 HydrophobicContact CG-CD1 4Å; L342-L346 HydrophobicContact CG-CG 4.47Å; L342-L346 WeakPolarHBondContact O-CB 3.44Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.35Å; L342-L346 PolarHBondContact O-N 3.42Å; L342-W478 HydrophobicContact CB-CH2 3.97Å; L342-W478 HydrophobicContact CB-CZ2 4.13Å; L342-W478 HydrophobicContact CD1-CH2 4.1Å; L342-W478 HydrophobicContact CD1-CZ2 4.29Å; L342-N496 HydrophobicContact CD1-CB 4.33Å; L342-I497 HydrophobicContact CD1-CG1 3.98Å; L342-W500 HydrophobicContact CD2-CB 3.82Å; L342-W500 HydrophobicContact CD2-CD2 3.76Å; L342-W500 HydrophobicContact CD2-CE3 4.16Å; L342-W500 HydrophobicContact CD2-CG 3.59Å
343Q81.9Confident77.5Confident82 Ų8246 Ų4638%0.38322%0.218SC..Hα-helixtrans-61.7-41.6177.8-169.8179.916.500111.8F314 T339 I340 Q341 K347F314-Q343 HydrophobicContact CD2-CG 4.38Å; F314-Q343 HydrophobicContact CE2-CB 4.08Å; F314-Q343 HydrophobicContact CE2-CG 3.99Å; F314-Q343 HydrophobicContact CZ-CB 4.02Å; F314-Q343 HydrophobicContact CZ-CG 4.41Å; T339-Q343 PolarHBondContact O-N 3.16Å; I340-Q343 PolarHBondContact O-N 3.38Å; Q341-Q343 VanDerWaalsContact C-N 3.35Å; Q341-Q343 PolarHBondContact O-N 3.15Å; Q343-K347 VanDerWaalsContact O-CB 3.3Å; Q343-K347 WeakPolarHBondContact O-CB 3.32Å; Q343-K347 PolarHBondContact O-N 2.95Å
344K81Confident78.1Confident104 Ų10448.6 Ų48.645%0.45223%0.226SC..Hα-helixtrans-64.4-46174.2-73.6174.1-177.5170.10111.7I340 Q341 L342 L346 K347 N348I340-K344 HydrophobicContact CG2-CD 4.22Å; I340-K344 WeakPolarHBondContact O-CG 3.4Å; I340-K344 PolarHBondContact O-N 2.93Å; Q341-K344 PolarHBondContact O-N 2.81Å; L342-K344 VanDerWaalsContact C-N 3.33Å; L342-K344 PolarHBondContact O-N 3.44Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 3.24Å; K344-K347 PolarHBondContact O-N 3.46Å; K344-N348 VanDerWaalsContact O-CB 3.28Å; K344-N348 WeakPolarHBondContact O-CB 3.38Å; K344-N348 PolarHBondContact O-N 2.87Å; K344-N348 PolarHBondContact O-ND2 3.04Å; K344-N348 PolarHBondContact O-OD1 3.32Å
345D78.5Confident78.3Confident14 Ų1446.8 Ų46.88%0.07522%0.222CC..Hα-helixtrans-60.7-43-178.6-74.9-10.9000111Q341 L342 N348 M349 W478 I481 Y493Q341-D345 PolarHBondContact NE2-OD1 3.48Å; Q341-D345 WeakPolarHBondContact O-CB 3.36Å; Q341-D345 PolarHBondContact O-N 2.82Å; L342-D345 PolarHBondContact O-N 3.01Å; D345-N348 PolarHBondContact O-N 3.37Å; D345-M349 WeakPolarHBondContact O-CB 3.27Å; D345-M349 PolarHBondContact O-N 2.93Å; D345-W478 PolarHBondContact OD2-NE1 2.94Å; D345-I481 HydrophobicContact CB-CD1 4.05Å; D345-Y493 HydrophobicContact CB-CE1 4.13Å; D345-Y493 WeakPolarHBondContact O-CE1 3.48Å
346L80.9Confident78.4Confident0 Ų046 Ų460%022%0.219CC..Hα-helixtrans-72.5-38.1178.1-67.3175.4000113.2W222 W313 F314 L342 K344 N348 M349 I350 Y493 I497W222-L346 HydrophobicContact CH2-CD2 4.38Å; W222-L346 HydrophobicContact CZ2-CD2 3.85Å; W313-L346 HydrophobicContact CH2-CD1 3.74Å; W313-L346 HydrophobicContact CZ2-CD1 3.38Å; F314-L346 HydrophobicContact CE2-CD1 4.44Å; L342-L346 HydrophobicContact CD1-CD1 4.14Å; L342-L346 HydrophobicContact CD1-CG 4.26Å; L342-L346 HydrophobicContact CG-CD1 4Å; L342-L346 HydrophobicContact CG-CG 4.47Å; L342-L346 WeakPolarHBondContact O-CB 3.44Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.35Å; L342-L346 PolarHBondContact O-N 3.42Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 3.24Å; L346-N348 VanDerWaalsContact C-N 3.33Å; L346-M349 HydrophobicContact CD2-CE 4.45Å; L346-M349 HydrophobicContact CD2-SD 4.32Å; L346-M349 VanDerWaalsContact O-CB 3.3Å; L346-M349 WeakPolarHBondContact O-CB 3.29Å; L346-M349 PolarHBondContact O-N 3.41Å; L346-I350 PolarHBondContact O-N 3.26Å; L346-Y493 HydrophobicContact CD2-CD1 4Å; L346-I497 HydrophobicContact CD2-CD1 4.19Å
347K83.2Confident78.4Confident147 Ų14743.9 Ų43.964%0.63921%0.21SC*.Hα-helixtrans-63.8-42172.5-172.1174.1-176.4174.50111.2Q343 K344 M349 I350 S351Q343-K347 VanDerWaalsContact O-CB 3.3Å; Q343-K347 WeakPolarHBondContact O-CB 3.32Å; Q343-K347 PolarHBondContact O-N 2.95Å; K344-K347 PolarHBondContact O-N 3.46Å; K347-M349 VanDerWaalsContact C-N 3.32Å; K347-M349 PolarHBondContact O-N 3.23Å; K347-I350 PolarHBondContact O-N 2.85Å; K347-S351 WeakPolarHBondContact O-CB 3.45Å; K347-S351 PolarHBondContact O-N 3.41Å; K347-S351 PolarHBondContact O-OG 3.48Å
348N79.4Confident78.5Confident74 Ų7442.2 Ų42.240%0.39620%0.202SC..Hα-helixtrans-62.6-41.8175.2-71.9-14.7000110.8K344 D345 L346 I350 S351 N352K344-N348 VanDerWaalsContact O-CB 3.28Å; K344-N348 WeakPolarHBondContact O-CB 3.38Å; K344-N348 PolarHBondContact O-N 2.87Å; K344-N348 PolarHBondContact O-ND2 3.04Å; K344-N348 PolarHBondContact O-OD1 3.32Å; D345-N348 PolarHBondContact O-N 3.37Å; L346-N348 VanDerWaalsContact C-N 3.33Å; N348-I350 PolarHBondContact O-N 2.94Å; N348-S351 WeakPolarHBondContact CA-OG 3.34Å; N348-S351 PolarHBondContact O-N 3.29Å; N348-S351 PolarHBondContact O-OG 3.12Å; N348-N352 WeakPolarHBondContact O-CB 3.42Å; N348-N352 PolarHBondContact O-N 3.29Å; N348-N352 PolarHBondContact O-ND2 3.35Å; N348-N352 PolarHBondContact O-OD1 2.88Å
349M80.4Confident77.8Confident2 Ų241.9 Ų41.91%0.0120%0.2CC..Hα-helixtrans-55.3-51.7175.1-174.6-161.871.800112.1W222 Y226 D345 L346 K347 N352 R353 Y493W222-M349 HydrophobicContact CH2-SD 4.4Å; W222-M349 HydrophobicContact CZ2-CE 3.83Å; W222-M349 HydrophobicContact CZ2-SD 4.2Å; Y226-M349 HydrophobicContact CD2-CE 3.81Å; Y226-M349 HydrophobicContact CD2-SD 4.02Å; Y226-M349 HydrophobicContact CE2-CE 3.62Å; Y226-M349 HydrophobicContact CE2-CG 4.16Å; Y226-M349 HydrophobicContact CE2-SD 3.36Å; Y226-M349 WeakPolarHBondContact CE2-SD 3.43Å; D345-M349 WeakPolarHBondContact O-CB 3.27Å; D345-M349 PolarHBondContact O-N 2.93Å; L346-M349 HydrophobicContact CD2-CE 4.45Å; L346-M349 HydrophobicContact CD2-SD 4.32Å; L346-M349 VanDerWaalsContact O-CB 3.3Å; L346-M349 WeakPolarHBondContact O-CB 3.29Å; L346-M349 PolarHBondContact O-N 3.41Å; K347-M349 VanDerWaalsContact C-N 3.32Å; K347-M349 PolarHBondContact O-N 3.23Å; M349-N352 PolarHBondContact O-N 2.88Å; M349-R353 PolarHBondContact O-N 3.29Å; M349-Y493 HydrophobicContact CB-CE1 3.83Å; M349-Y493 HydrophobicContact CB-CE2 3.94Å; M349-Y493 VanDerWaalsContact CB-CZ 3.5Å; M349-Y493 WeakPolarHBondContact CB-OH 3.38Å; M349-Y493 HydrophobicContact CG-CD2 4Å; M349-Y493 HydrophobicContact CG-CE1 4.23Å; M349-Y493 HydrophobicContact CG-CE2 3.51Å; M349-Y493 HydrophobicContact SD-CD1 4.32Å; M349-Y493 HydrophobicContact SD-CD2 3.75Å; M349-Y493 HydrophobicContact SD-CE1 4.42Å; M349-Y493 HydrophobicContact SD-CE2 3.91Å; M349-Y493 HydrophobicContact SD-CG 4.01Å
350I81Confident76.9Confident6 Ų647.9 Ų47.93%0.03123%0.228CC..Hα-helixtrans-61.5-46.2177.2-67.7178000110.1D307 L346 K347 N348 N352 R353 R354D307-I350 HydrophobicContact CB-CD1 3.98Å; L346-I350 PolarHBondContact O-N 3.26Å; K347-I350 PolarHBondContact O-N 2.85Å; N348-I350 PolarHBondContact O-N 2.94Å; I350-N352 VanDerWaalsContact C-N 3.34Å; I350-N352 PolarHBondContact O-N 3Å; I350-R353 PolarHBondContact O-N 3.19Å; I350-R354 PolarHBondContact O-N 2.95Å
351S79.4Confident76.1Confident43 Ų4348.2 Ų48.230%0.30123%0.23SC..Hα-helixtrans-61.9-40.1-178.471.50000112.9K347 N348 R353 R354 I355K347-S351 WeakPolarHBondContact O-CB 3.45Å; K347-S351 PolarHBondContact O-N 3.41Å; K347-S351 PolarHBondContact O-OG 3.48Å; N348-S351 WeakPolarHBondContact CA-OG 3.34Å; N348-S351 PolarHBondContact O-N 3.29Å; N348-S351 PolarHBondContact O-OG 3.12Å; S351-R353 VanDerWaalsContact C-N 3.33Å; S351-R353 PolarHBondContact O-N 2.89Å; S351-R354 PolarHBondContact O-N 2.98Å; S351-I355 VanDerWaalsContact O-CG1 3.32Å; S351-I355 WeakPolarHBondContact O-CG1 3.47Å; S351-I355 PolarHBondContact O-N 3.15Å
352N76.9Confident75.4Confident47 Ų4746.1 Ų46.125%0.25123%0.225SC..Hα-helixtrans-65.4-39.2178.4-68.2-19.9000111.2N348 M349 I350 I355 Q356 H483N348-N352 WeakPolarHBondContact O-CB 3.42Å; N348-N352 PolarHBondContact O-N 3.29Å; N348-N352 PolarHBondContact O-ND2 3.35Å; N348-N352 PolarHBondContact O-OD1 2.88Å; M349-N352 PolarHBondContact O-N 2.88Å; I350-N352 VanDerWaalsContact C-N 3.34Å; I350-N352 PolarHBondContact O-N 3Å; N352-I355 PolarHBondContact O-N 3.41Å; N352-Q356 WeakPolarHBondContact O-CB 3.48Å; N352-Q356 PolarHBondContact O-N 2.9Å; N352-H483 PolarHBondContact ND2-ND1 3.26Å
353R77.2Confident74.8Confident13 Ų1346.3 Ų46.35%0.04923%0.226CC..Hα-helixtrans-72.7-31.4178.4-85.233.1179.8-118.5-2.4111.8M229 E230 L233 L303 M349 I350 S351 Q356 L357M229-R353 HydrophobicContact SD-CG 4.47Å; E230-R353 IonicContact OE1-NH2 3.08Å; L233-R353 HydrophobicContact CD1-CB 4Å; L233-R353 HydrophobicContact CD1-CG 3.74Å; L303-R353 HydrophobicContact CD2-CB 4.21Å; M349-R353 PolarHBondContact O-N 3.29Å; I350-R353 PolarHBondContact O-N 3.19Å; S351-R353 VanDerWaalsContact C-N 3.33Å; S351-R353 PolarHBondContact O-N 2.89Å; R353-Q356 PolarHBondContact O-N 3.42Å; R353-L357 WeakPolarHBondContact O-CB 3.42Å; R353-L357 PolarHBondContact O-N 2.97Å
354R79.6Confident74.3Confident77 Ų7744.6 Ų44.629%0.29122%0.219SC..Hα-helixtrans-65.9-43.1168.9-170.4176.1-77.3149.5-3.6112.1E300 L303 I350 S351 Q356 L357 Q358E300-R354 IonicContact OE1-CZ 2.65Å; E300-R354 VanDerWaalsContact OE1-CZ 3.28Å; E300-R354 IonicContact OE1-NE 3.99Å; E300-R354 PolarHBondContact OE1-NE 2.99Å; E300-R354 VanDerWaalsContact OE1-NE 3.08Å; E300-R354 IonicContact OE1-NH2 2.61Å; E300-R354 PolarHBondContact OE1-NH2 3.11Å; E300-R354 IonicContact OE2-NE 3.28Å; E300-R354 PolarHBondContact OE2-NE 3.38Å; E300-R354 VanDerWaalsContact OE2-NE 3.14Å; E300-R354 IonicContact OE2-NH2 3.48Å; L303-R354 HydrophobicContact CD1-CB 4.39Å; I350-R354 PolarHBondContact O-N 2.95Å; S351-R354 PolarHBondContact O-N 2.98Å; R354-Q356 VanDerWaalsContact C-N 3.31Å; R354-Q356 PolarHBondContact O-N 3.47Å; R354-L357 PolarHBondContact O-N 3.42Å; R354-Q358 HydrophobicContact CG-CG 4.42Å; R354-Q358 WeakPolarHBondContact O-CB 3.38Å; R354-Q358 WeakPolarHBondContact O-CG 3.47Å; R354-Q358 PolarHBondContact O-N 3.34Å
355I74.1Confident74Confident68 Ų6847.6 Ų47.635%0.34923%0.232SC..Hα-helixtrans-61.5-40.6175.4-69.6164.9000111.2S351 N352 G359 E360S351-I355 VanDerWaalsContact O-CG1 3.32Å; S351-I355 WeakPolarHBondContact O-CG1 3.47Å; S351-I355 PolarHBondContact O-N 3.15Å; N352-I355 PolarHBondContact O-N 3.41Å; I355-G359 PolarHBondContact O-N 3.06Å; I355-E360 HydrophobicContact CG2-CB 4.07Å; I355-E360 PolarHBondContact O-N 3.47Å
356Q73.4Confident73.7Confident16 Ų1648.6 Ų48.68%0.07524%0.237CC..Hα-helixtrans-67.1-47.9177-171173.52100111.6N237 N352 R353 R354 Q358 G359 E486N237-Q356 PolarHBondContact ND2-NE2 3.24Å; N352-Q356 WeakPolarHBondContact O-CB 3.48Å; N352-Q356 PolarHBondContact O-N 2.9Å; R353-Q356 PolarHBondContact O-N 3.42Å; R354-Q356 VanDerWaalsContact C-N 3.31Å; R354-Q356 PolarHBondContact O-N 3.47Å; Q356-Q358 VanDerWaalsContact C-N 3.35Å; Q356-Q358 PolarHBondContact O-N 3.09Å; Q356-G359 PolarHBondContact O-N 3.29Å; Q356-G359 VanDerWaalsContact O-N 3.1Å; Q356-E486 PolarHBondContact NE2-OE1 3.24Å; Q356-E486 VanDerWaalsContact NE2-OE1 3.12Å
357L73.5Confident73.3Confident1 Ų148.6 Ų48.61%0.00524%0.237CC..Hα-helixtrans-58.7-44.1178.1178.863.4000112.4L233 Q236 V296 I299 E300 L303 R353 R354 G359L233-L357 HydrophobicContact CD2-CB 4.05Å; L233-L357 HydrophobicContact CD2-CD1 3.86Å; Q236-L357 VanDerWaalsContact OE1-CD1 3.26Å; V296-L357 HydrophobicContact CB-CD1 4.44Å; V296-L357 HydrophobicContact CG1-CD1 4.14Å; V296-L357 HydrophobicContact CG1-CD2 4.22Å; V296-L357 HydrophobicContact CG1-CG 3.98Å; V296-L357 HydrophobicContact CG2-CD1 4.31Å; I299-L357 HydrophobicContact CB-CD1 3.81Å; I299-L357 HydrophobicContact CB-CD2 3.96Å; I299-L357 HydrophobicContact CD1-CD1 3.77Å; I299-L357 HydrophobicContact CG1-CD1 4.38Å; I299-L357 HydrophobicContact CG2-CD1 3.81Å; I299-L357 HydrophobicContact CG2-CD2 3.77Å; I299-L357 HydrophobicContact CG2-CG 4.35Å; E300-L357 HydrophobicContact CB-CD2 4.1Å; L303-L357 HydrophobicContact CD1-CD2 4Å; R353-L357 WeakPolarHBondContact O-CB 3.42Å; R353-L357 PolarHBondContact O-N 2.97Å; R354-L357 PolarHBondContact O-N 3.42Å; L357-G359 PolarHBondContact O-N 3.15Å
358Q73.2Confident73.1Confident73 Ų7343.6 Ų43.634%0.34122%0.219SC..THydrogen-bonded Turntrans-81.2-0.2179.9-66.9179.3-19.200113R354 Q356 E360 I364R354-Q358 HydrophobicContact CG-CG 4.42Å; R354-Q358 WeakPolarHBondContact O-CB 3.38Å; R354-Q358 WeakPolarHBondContact O-CG 3.47Å; R354-Q358 PolarHBondContact O-N 3.34Å; Q356-Q358 VanDerWaalsContact C-N 3.35Å; Q356-Q358 PolarHBondContact O-N 3.09Å; Q358-E360 HydrophobicContact CB-CG 3.95Å; Q358-E360 PolarHBondContact O-N 3.06Å; Q358-I364 WeakPolarHBondContact O-CD1 3.46Å
359G62.3Low73Confident1 Ų145.8 Ų45.81%0.0123%0.225CC..THydrogen-bonded Turntrans58.322.4-17700000114.2I355 Q356 L357 N361 G362 I363 I364I355-G359 PolarHBondContact O-N 3.06Å; Q356-G359 PolarHBondContact O-N 3.29Å; Q356-G359 VanDerWaalsContact O-N 3.1Å; L357-G359 PolarHBondContact O-N 3.15Å; G359-N361 PolarHBondContact O-N 3.41Å; G359-N361 PolarHBondContact O-OD1 3.13Å; G359-G362 PolarHBondContact O-N 2.97Å; G359-I363 PolarHBondContact O-N 3.01Å; G359-I364 PolarHBondContact O-N 3.41Å
360E61.4Low72.8Confident130 Ų13045.7 Ų45.761%0.60722%0.224SC*.THydrogen-bonded Turntrans-71.9-6.8177.7-74-165.3158.700112.4I355 Q358 G362I355-E360 HydrophobicContact CG2-CB 4.07Å; I355-E360 PolarHBondContact O-N 3.47Å; Q358-E360 HydrophobicContact CB-CG 3.95Å; Q358-E360 PolarHBondContact O-N 3.06Å; E360-G362 PolarHBondContact O-N 3.15Å
361N62Low72.8Confident53 Ų5345.9 Ų45.928%0.28323%0.226SC..THydrogen-bonded Turntrans-60.8-7.116765.1-4.5000113.9G359 I363G359-N361 PolarHBondContact O-N 3.41Å; G359-N361 PolarHBondContact O-OD1 3.13Å; N361-I363 WeakPolarHBondContact ND2-CD1 3.49Å; N361-I363 WeakPolarHBondContact OD1-CB 3.33Å; N361-I363 VanDerWaalsContact OD1-CG1 3.23Å; N361-I363 WeakPolarHBondContact OD1-CG1 3.24Å; N361-I363 PolarHBondContact OD1-N 3.22Å
362G62.7Low72.7Confident17 Ų1751.2 Ų51.218%0.17524%0.239CC..THydrogen-bonded Turntrans114.6-12.117600000113.5G359 E360 I364 K365 L366G359-G362 PolarHBondContact O-N 2.97Å; E360-G362 PolarHBondContact O-N 3.15Å; G362-I364 PolarHBondContact O-N 3.48Å; G362-K365 PolarHBondContact O-N 3.16Å; G362-L366 WeakPolarHBondContact O-CG 3.46Å; G362-L366 PolarHBondContact O-N 2.89Å
363I69.6Low72.8Confident4 Ų450.8 Ų50.82%0.02124%0.237CC..Hα-helixtrans-56.8-51-179.3-69176.4000110.5F291 G359 N361 K365 L366 L367 I430 C433F291-I363 HydrophobicContact CE2-CG2 3.78Å; F291-I363 HydrophobicContact CZ-CB 4.43Å; F291-I363 HydrophobicContact CZ-CD1 4.46Å; F291-I363 HydrophobicContact CZ-CG2 3.71Å; G359-I363 PolarHBondContact O-N 3.01Å; N361-I363 WeakPolarHBondContact ND2-CD1 3.49Å; N361-I363 WeakPolarHBondContact OD1-CB 3.33Å; N361-I363 VanDerWaalsContact OD1-CG1 3.23Å; N361-I363 WeakPolarHBondContact OD1-CG1 3.24Å; N361-I363 PolarHBondContact OD1-N 3.22Å; I363-K365 VanDerWaalsContact C-N 3.33Å; I363-K365 PolarHBondContact O-N 3.44Å; I363-L366 PolarHBondContact O-N 2.81Å; I363-L367 HydrophobicContact CG2-CD1 3.42Å; I363-L367 VanDerWaalsContact CG2-CD1 3.42Å; I363-L367 WeakPolarHBondContact O-CB 3.44Å; I363-L367 PolarHBondContact O-N 2.92Å; I363-I430 HydrophobicContact CG1-CG2 4.36Å; I363-I430 HydrophobicContact CG2-CG2 4.29Å; I363-C433 HydrophobicContact CG1-CB 4.46Å
364I70.8Confident72.8Confident47 Ų4750.2 Ų50.224%0.24124%0.235CC..Hα-helixtrans-61.2-41.9179.4-65.1-176.1000111.7L288 F291 Q358 G359 G362 L366 L367 T368L288-I364 HydrophobicContact CD1-CG2 4.47Å; F291-I364 HydrophobicContact CB-CD1 3.62Å; F291-I364 HydrophobicContact CB-CG1 4.07Å; F291-I364 HydrophobicContact CD1-CD1 4.38Å; F291-I364 HydrophobicContact CD1-CG1 4.41Å; F291-I364 HydrophobicContact CD2-CG1 4.26Å; F291-I364 HydrophobicContact CG-CD1 4.01Å; F291-I364 HydrophobicContact CG-CG1 3.99Å; Q358-I364 WeakPolarHBondContact O-CD1 3.46Å; G359-I364 PolarHBondContact O-N 3.41Å; G362-I364 PolarHBondContact O-N 3.48Å; I364-L366 VanDerWaalsContact C-N 3.32Å; I364-L366 PolarHBondContact O-N 2.61Å; I364-L367 PolarHBondContact O-N 3.34Å; I364-T368 VanDerWaalsContact O-CB 3.24Å; I364-T368 WeakPolarHBondContact O-CB 3.14Å; I364-T368 PolarHBondContact O-N 3.45Å; I364-T368 PolarHBondContact O-OG1 3.29Å
365K74.3Confident72.9Confident166 Ų16650.2 Ų50.272%0.72224%0.238SC*.Hα-helixtrans-62.9-41.3180-73.2179.4-179.1168.40111.3G362 I363 K369G362-K365 PolarHBondContact O-N 3.16Å; I363-K365 VanDerWaalsContact C-N 3.33Å; I363-K365 PolarHBondContact O-N 3.44Å; K365-K369 WeakPolarHBondContact O-CB 3.49Å; K365-K369 PolarHBondContact O-N 2.74Å; K365-K369 VanDerWaalsContact O-N 3.1Å
366L72.2Confident73Confident36 Ų3651.8 Ų51.819%0.18825%0.247CC..Hα-helixtrans-72.6-43.7179-68.1173000111.9G362 I363 I364 K369 L370 T426 N429 I430G362-L366 WeakPolarHBondContact O-CG 3.46Å; G362-L366 PolarHBondContact O-N 2.89Å; I363-L366 PolarHBondContact O-N 2.81Å; I364-L366 VanDerWaalsContact C-N 3.32Å; I364-L366 PolarHBondContact O-N 2.61Å; L366-K369 PolarHBondContact O-N 2.94Å; L366-L370 WeakPolarHBondContact O-CB 3.05Å; L366-L370 PolarHBondContact O-N 3.33Å; L366-T426 HydrophobicContact CB-CG2 4.17Å; L366-T426 HydrophobicContact CD2-CG2 4.25Å; L366-N429 HydrophobicContact CD1-CB 4.12Å; L366-I430 HydrophobicContact CB-CD1 3.81Å; L366-I430 HydrophobicContact CB-CG1 3.38Å; L366-I430 HydrophobicContact CD1-CG1 3.71Å; L366-I430 HydrophobicContact CG-CG1 4.18Å
367L73.8Confident73.1Confident0 Ų051.7 Ų51.70%025%0.247CC..Hα-helixtrans-60.6-46173.8-90.8145.4000111.7C287 L288 I363 I364 K369 L370 I371 I430C287-L367 HydrophobicContact CB-CD2 4.12Å; L288-L367 HydrophobicContact CD1-CB 4.16Å; I363-L367 HydrophobicContact CG2-CD1 3.42Å; I363-L367 VanDerWaalsContact CG2-CD1 3.42Å; I363-L367 WeakPolarHBondContact O-CB 3.44Å; I363-L367 PolarHBondContact O-N 2.92Å; I364-L367 PolarHBondContact O-N 3.34Å; L367-K369 VanDerWaalsContact C-N 3.29Å; L367-K369 PolarHBondContact O-N 3.38Å; L367-L370 WeakPolarHBondContact O-CB 3.4Å; L367-L370 PolarHBondContact O-N 3.31Å; L367-L370 VanDerWaalsContact O-N 3.14Å; L367-I371 WeakPolarHBondContact O-CD1 3.28Å; L367-I371 VanDerWaalsContact O-CG1 3.28Å; L367-I371 WeakPolarHBondContact O-CG1 3.33Å; L367-I371 PolarHBondContact O-N 3.28Å; L367-I430 HydrophobicContact CG-CD1 4.12Å
368T77.5Confident73.1Confident41 Ų4152.3 Ų52.325%0.25225%0.25SC..Hα-helixtrans-61.6-39.5177.4-55.40000111.3I364 R372I364-T368 VanDerWaalsContact O-CB 3.24Å; I364-T368 WeakPolarHBondContact O-CB 3.14Å; I364-T368 PolarHBondContact O-N 3.45Å; I364-T368 PolarHBondContact O-OG1 3.29Å; T368-R372 WeakPolarHBondContact O-CB 3.29Å; T368-R372 WeakPolarHBondContact O-CG 3.27Å; T368-R372 PolarHBondContact O-N 2.62Å
369K77.4Confident73.2Confident120 Ų12054.9 Ų54.952%0.52226%0.262SS..Hα-helixtrans-66.5-40.7175.6-171.4-176.5178.8-172.80111.5K365 L366 L367 N373K365-K369 WeakPolarHBondContact O-CB 3.49Å; K365-K369 PolarHBondContact O-N 2.74Å; K365-K369 VanDerWaalsContact O-N 3.1Å; L366-K369 PolarHBondContact O-N 2.94Å; L367-K369 VanDerWaalsContact C-N 3.29Å; L367-K369 PolarHBondContact O-N 3.38Å; K369-N373 WeakPolarHBondContact O-CB 3.47Å; K369-N373 PolarHBondContact O-N 2.87Å; K369-N373 PolarHBondContact O-ND2 3.32Å; K369-N373 PolarHBondContact O-OD1 3.47Å
370L75.7Confident73.6Confident0 Ų058 Ų580%028%0.275CS..Hα-helixtrans-60.7-52.6175.3-174.880.9000110.6L366 L367 R372 N373 I374 W423 T426 I427L366-L370 WeakPolarHBondContact O-CB 3.05Å; L366-L370 PolarHBondContact O-N 3.33Å; L367-L370 WeakPolarHBondContact O-CB 3.4Å; L367-L370 PolarHBondContact O-N 3.31Å; L367-L370 VanDerWaalsContact O-N 3.14Å; L370-R372 PolarHBondContact O-N 3.23Å; L370-N373 PolarHBondContact O-N 3.45Å; L370-I374 HydrophobicContact CD1-CD1 4.39Å; L370-I374 HydrophobicContact CD2-CD1 4.31Å; L370-I374 HydrophobicContact CG-CD1 3.79Å; L370-I374 WeakPolarHBondContact O-CD1 3.22Å; L370-I374 VanDerWaalsContact O-CG1 3.3Å; L370-I374 WeakPolarHBondContact O-CG1 3.14Å; L370-I374 PolarHBondContact O-N 2.85Å; L370-W423 HydrophobicContact CD1-CB 3.73Å; L370-W423 HydrophobicContact CD1-CG 3.95Å; L370-T426 HydrophobicContact CB-CG2 4.28Å; L370-T426 HydrophobicContact CD1-CG2 4.35Å; L370-I427 HydrophobicContact CD1-CG1 4.22Å; L370-I427 HydrophobicContact CD2-CD1 4.1Å; L370-I427 HydrophobicContact CD2-CG1 4.11Å
371I81Confident73.8Confident11 Ų1152.3 Ų52.36%0.05625%0.249CC..Hα-helixtrans-56.4-51.3-179.8-68.9159.1000110.5N285 L288 L367 N373 I374 E375N285-I371 WeakPolarHBondContact OD1-CD1 3.44Å; L288-I371 HydrophobicContact CB-CD1 4.33Å; L288-I371 HydrophobicContact CD1-CD1 3.96Å; L367-I371 WeakPolarHBondContact O-CD1 3.28Å; L367-I371 VanDerWaalsContact O-CG1 3.28Å; L367-I371 WeakPolarHBondContact O-CG1 3.33Å; L367-I371 PolarHBondContact O-N 3.28Å; I371-N373 VanDerWaalsContact C-N 3.34Å; I371-N373 PolarHBondContact O-N 2.98Å; I371-I374 PolarHBondContact O-N 3.16Å; I371-I374 VanDerWaalsContact O-N 3.11Å; I371-E375 HydrophobicContact CG2-CG 4.28Å; I371-E375 WeakPolarHBondContact O-CB 3.34Å; I371-E375 WeakPolarHBondContact O-CG 3.36Å; I371-E375 PolarHBondContact O-N 3.18Å
372R79.3Confident74.2Confident155 Ų15553.4 Ų53.459%0.58525%0.252SS*.Hα-helixtrans-58.7-43.8177.9-74.3179.2-175.6171.92.8112.7T368 L370 I374 E375 D376T368-R372 WeakPolarHBondContact O-CB 3.29Å; T368-R372 WeakPolarHBondContact O-CG 3.27Å; T368-R372 PolarHBondContact O-N 2.62Å; L370-R372 PolarHBondContact O-N 3.23Å; R372-I374 VanDerWaalsContact C-N 3.27Å; R372-I374 PolarHBondContact O-N 3.14Å; R372-E375 PolarHBondContact O-N 2.94Å; R372-D376 WeakPolarHBondContact O-CB 3.36Å; R372-D376 PolarHBondContact O-N 2.97Å
373N78.3Confident74Confident38 Ų3855.1 Ų55.120%0.20326%0.262CS..Hα-helixtrans-64.3-33.4178.7-70.4-15.7000112.3K369 L370 I371 F377 W423K369-N373 WeakPolarHBondContact O-CB 3.47Å; K369-N373 PolarHBondContact O-N 2.87Å; K369-N373 PolarHBondContact O-ND2 3.32Å; K369-N373 PolarHBondContact O-OD1 3.47Å; L370-N373 PolarHBondContact O-N 3.45Å; I371-N373 VanDerWaalsContact C-N 3.34Å; I371-N373 PolarHBondContact O-N 2.98Å; N373-F377 WeakPolarHBondContact O-CB 3.47Å; N373-F377 PolarHBondContact O-N 3.45Å; N373-W423 VanDerWaalsContact CB-NE1 3.34Å
374I77.1Confident73.4Confident0 Ų057.5 Ų57.50%027%0.274CS..Hα-helixtrans-74.2-44.1176.2-63.7156.3000110.3L277 L280 L281 L370 I371 R372 F377 I378 W423L277-I374 HydrophobicContact CB-CG2 4.46Å; L277-I374 HydrophobicContact CD2-CG2 4.35Å; L280-I374 HydrophobicContact CD2-CD1 3.22Å; L280-I374 HydrophobicContact CD2-CG1 4.33Å; L281-I374 HydrophobicContact CB-CG2 4.16Å; L281-I374 HydrophobicContact CD1-CG2 4.2Å; L370-I374 HydrophobicContact CD1-CD1 4.39Å; L370-I374 HydrophobicContact CD2-CD1 4.31Å; L370-I374 HydrophobicContact CG-CD1 3.79Å; L370-I374 WeakPolarHBondContact O-CD1 3.22Å; L370-I374 VanDerWaalsContact O-CG1 3.3Å; L370-I374 WeakPolarHBondContact O-CG1 3.14Å; L370-I374 PolarHBondContact O-N 2.85Å; I371-I374 PolarHBondContact O-N 3.16Å; I371-I374 VanDerWaalsContact O-N 3.11Å; R372-I374 VanDerWaalsContact C-N 3.27Å; R372-I374 PolarHBondContact O-N 3.14Å; I374-F377 PolarHBondContact O-N 3.33Å; I374-I378 HydrophobicContact CG2-CD1 3.78Å; I374-I378 HydrophobicContact CG2-CG1 4.3Å; I374-I378 WeakPolarHBondContact O-CG1 3.19Å; I374-I378 PolarHBondContact O-N 2.94Å; I374-W423 HydrophobicContact CB-CZ2 4.44Å; I374-W423 HydrophobicContact CG1-CD2 4.19Å; I374-W423 HydrophobicContact CG1-CH2 4.4Å; I374-W423 HydrophobicContact CG1-CZ2 3.88Å
375E81.6Confident72.6Confident77 Ų7758.1 Ų58.136%0.3628%0.28SS..Hα-helixtrans-57.6-50.4175.6-77.5175.8164.300111.9L281 I371 R372 F377 I378 Q379L281-E375 HydrophobicContact CD1-CB 4.47Å; L281-E375 HydrophobicContact CD1-CG 3.42Å; L281-E375 VanDerWaalsContact CD1-CG 3.42Å; L281-E375 HydrophobicContact CG-CG 4.39Å; I371-E375 HydrophobicContact CG2-CG 4.28Å; I371-E375 WeakPolarHBondContact O-CB 3.34Å; I371-E375 WeakPolarHBondContact O-CG 3.36Å; I371-E375 PolarHBondContact O-N 3.18Å; R372-E375 PolarHBondContact O-N 2.94Å; E375-F377 PolarHBondContact O-N 2.93Å; E375-I378 PolarHBondContact O-N 3.44Å; E375-Q379 WeakPolarHBondContact O-CG 3.13Å; E375-Q379 PolarHBondContact O-N 3.32Å
376D77.1Confident71.1Confident101 Ų10154.8 Ų54.854%0.5427%0.269SS..Hα-helixtrans-57.9-38.3177.3-73.3-16.8000110.9R372 F380R372-D376 WeakPolarHBondContact O-CB 3.36Å; R372-D376 PolarHBondContact O-N 2.97Å; D376-F380 VanDerWaalsContact O-CB 3.26Å; D376-F380 WeakPolarHBondContact O-CB 3.33Å; D376-F380 PolarHBondContact O-N 2.94Å
377F74Confident69.7Low15 Ų1558 Ų587%0.06629%0.287CS..Hα-helixtrans-73.6-40178.9-171.1-99.1000112.8L277 N373 I374 E375 F380 I381 F416 Q419 W423L277-F377 HydrophobicContact CD1-CD1 3.77Å; L277-F377 HydrophobicContact CD1-CE1 3.88Å; N373-F377 WeakPolarHBondContact O-CB 3.47Å; N373-F377 PolarHBondContact O-N 3.45Å; I374-F377 PolarHBondContact O-N 3.33Å; E375-F377 PolarHBondContact O-N 2.93Å; F377-F380 HydrophobicContact CD2-CD1 4.49Å; F377-F380 HydrophobicContact CE2-CD1 4.31Å; F377-F380 WeakPolarHBondContact O-CB 3.32Å; F377-F380 PolarHBondContact O-N 3.35Å; F377-I381 HydrophobicContact CD1-CD1 3.77Å; F377-I381 HydrophobicContact CD1-CG1 4.36Å; F377-I381 HydrophobicContact CE1-CD1 3.2Å; F377-I381 HydrophobicContact CE1-CG1 3.85Å; F377-I381 HydrophobicContact CZ-CD1 3.85Å; F377-I381 HydrophobicContact CZ-CG1 4.06Å; F377-I381 WeakPolarHBondContact O-CG1 3.4Å; F377-I381 PolarHBondContact O-N 2.79Å; F377-F416 AromaticContact CD1-CD2 3.77Å; F377-F416 HydrophobicContact CD1-CD2 3.77Å; F377-F416 AromaticContact CD1-CE2 3.68Å; F377-F416 HydrophobicContact CD1-CE2 3.68Å; F377-F416 HydrophobicContact CD2-CD2 4.32Å; F377-F416 HydrophobicContact CE1-CB 4.46Å; F377-F416 HydrophobicContact CE1-CD1 4.4Å; F377-F416 AromaticContact CE1-CD2 2.99Å; F377-F416 HydrophobicContact CE1-CD2 2.99Å; F377-F416 AromaticContact CE1-CE2 3.08Å; F377-F416 HydrophobicContact CE1-CE2 3.08Å; F377-F416 AromaticContact CE1-CG 3.73Å; F377-F416 HydrophobicContact CE1-CG 3.73Å; F377-F416 AromaticContact CE1-CZ 3.94Å; F377-F416 HydrophobicContact CE1-CZ 3.94Å; F377-F416 HydrophobicContact CE2-CB 3.98Å; F377-F416 AromaticContact CE2-CD2 3.67Å; F377-F416 HydrophobicContact CE2-CD2 3.67Å; F377-F416 HydrophobicContact CE2-CG 4.11Å; F377-F416 HydrophobicContact CG-CD2 4.37Å; F377-F416 HydrophobicContact CZ-CB 3.59Å; F377-F416 HydrophobicContact CZ-CD1 4.21Å; F377-F416 AromaticContact CZ-CD2 2.97Å; F377-F416 HydrophobicContact CZ-CD2 2.97Å; F377-F416 AromaticContact CZ-CE2 3.64Å; F377-F416 HydrophobicContact CZ-CE2 3.64Å; F377-F416 AromaticContact CZ-CG 3.33Å; F377-F416 HydrophobicContact CZ-CG 3.33Å; F377-Q419 HydrophobicContact CD2-CG 4.39Å; F377-W423 HydrophobicContact CB-CH2 4.26Å; F377-W423 HydrophobicContact CB-CZ2 4.04Å; F377-W423 AromaticContact CD1-CH2 3.94Å; F377-W423 HydrophobicContact CD1-CH2 3.94Å; F377-W423 HydrophobicContact CG-CH2 4.13Å; F377-W423 HydrophobicContact CG-CZ2 4.32Å
378I73.6Confident68.2Low14 Ų1463.5 Ų63.57%0.07232%0.316CS..Hα-helixtrans-62-46.9173.6-71.8170.4000110.1L274 L277 Q278 L281 I374 E375 F380 I381 Q382L274-I378 HydrophobicContact CD1-CG1 4.41Å; L274-I378 HydrophobicContact CD1-CG2 4.15Å; L277-I378 HydrophobicContact CB-CD1 4.06Å; L277-I378 HydrophobicContact CB-CG1 4.06Å; L277-I378 HydrophobicContact CD1-CG1 4.46Å; Q278-I378 HydrophobicContact CG-CD1 4.34Å; L281-I378 HydrophobicContact CD1-CD1 3.79Å; I374-I378 HydrophobicContact CG2-CD1 3.78Å; I374-I378 HydrophobicContact CG2-CG1 4.3Å; I374-I378 WeakPolarHBondContact O-CG1 3.19Å; I374-I378 PolarHBondContact O-N 2.94Å; E375-I378 PolarHBondContact O-N 3.44Å; I378-F380 VanDerWaalsContact C-N 3.29Å; I378-F380 PolarHBondContact O-N 3.27Å; I378-I381 PolarHBondContact O-N 2.76Å; I378-I381 VanDerWaalsContact O-N 3.15Å; I378-Q382 HydrophobicContact CG2-CG 4.44Å; I378-Q382 WeakPolarHBondContact O-CG 3.48Å; I378-Q382 PolarHBondContact O-N 3.33Å
379Q75Confident66.3Low126 Ų12667 Ų6759%0.58933%0.329SS*.Hα-helixtrans-60-41.3175.7-75.9-173.36.800111.4E375 I381 Q382 S383E375-Q379 WeakPolarHBondContact O-CG 3.13Å; E375-Q379 PolarHBondContact O-N 3.32Å; Q379-I381 PolarHBondContact O-N 2.99Å; Q379-Q382 PolarHBondContact O-N 2.87Å; Q379-S383 WeakPolarHBondContact O-CB 3.49Å; Q379-S383 PolarHBondContact O-N 3.47Å; Q379-S383 PolarHBondContact O-OG 3.41Å
380F70.6Confident64.5Low66 Ų6667.3 Ų67.329%0.28934%0.337SS..Hα-helixtrans-62.7-38.7175.1178.2-105.4000112.5D376 F377 I378 S383 N384 Y412D376-F380 VanDerWaalsContact O-CB 3.26Å; D376-F380 WeakPolarHBondContact O-CB 3.33Å; D376-F380 PolarHBondContact O-N 2.94Å; F377-F380 HydrophobicContact CD2-CD1 4.49Å; F377-F380 HydrophobicContact CE2-CD1 4.31Å; F377-F380 WeakPolarHBondContact O-CB 3.32Å; F377-F380 PolarHBondContact O-N 3.35Å; I378-F380 VanDerWaalsContact C-N 3.29Å; I378-F380 PolarHBondContact O-N 3.27Å; F380-S383 PolarHBondContact O-OG 3.25Å; F380-N384 WeakPolarHBondContact CE2-ND2 3.43Å; F380-N384 PolarHBondContact O-ND2 3.38Å; F380-Y412 HydrophobicContact CD1-CD1 4.49Å; F380-Y412 AromaticContact CD1-CE1 3.73Å; F380-Y412 HydrophobicContact CD1-CE1 3.73Å; F380-Y412 AromaticContact CE1-CD1 3.72Å; F380-Y412 HydrophobicContact CE1-CD1 3.72Å; F380-Y412 AromaticContact CE1-CE1 3.05Å; F380-Y412 HydrophobicContact CE1-CE1 3.05Å; F380-Y412 HydrophobicContact CE1-CE2 4.37Å; F380-Y412 AromaticContact CE1-CZ 3.42Å; F380-Y412 VanDerWaalsContact CE1-CZ 3.42Å; F380-Y412 WeakPolarHBondContact CE1-OH 3.41Å; F380-Y412 HydrophobicContact CZ-CD1 4.48Å; F380-Y412 AromaticContact CZ-CE1 3.67Å; F380-Y412 HydrophobicContact CZ-CE1 3.67Å; F380-Y412 HydrophobicContact CZ-CE2 4.22Å; F380-Y412 AromaticContact CZ-CZ 3.48Å; F380-Y412 VanDerWaalsContact CZ-CZ 3.48Å; F380-Y412 WeakPolarHBondContact CZ-OH 3.39Å
381I67.3Low62.7Low11 Ų1169.6 Ų69.66%0.05635%0.353CS..Hα-helixtrans-64.1-50.1172.9-69.2168.1000110.2L270 L274 L277 F377 I378 Q379 S383 N384 T385L270-I381 HydrophobicContact CD1-CG2 4.26Å; L274-I381 HydrophobicContact CD1-CB 4.44Å; L274-I381 HydrophobicContact CD1-CD1 4.31Å; L274-I381 HydrophobicContact CD1-CG2 4.23Å; L277-I381 HydrophobicContact CD1-CD1 4.13Å; F377-I381 HydrophobicContact CD1-CD1 3.77Å; F377-I381 HydrophobicContact CD1-CG1 4.36Å; F377-I381 HydrophobicContact CE1-CD1 3.2Å; F377-I381 HydrophobicContact CE1-CG1 3.85Å; F377-I381 HydrophobicContact CZ-CD1 3.85Å; F377-I381 HydrophobicContact CZ-CG1 4.06Å; F377-I381 WeakPolarHBondContact O-CG1 3.4Å; F377-I381 PolarHBondContact O-N 2.79Å; I378-I381 PolarHBondContact O-N 2.76Å; I378-I381 VanDerWaalsContact O-N 3.15Å; Q379-I381 PolarHBondContact O-N 2.99Å; I381-S383 PolarHBondContact O-N 2.83Å; I381-N384 PolarHBondContact O-N 2.83Å; I381-T385 HydrophobicContact CG2-CG2 4.47Å; I381-T385 PolarHBondContact O-N 3.5Å; I381-T385 PolarHBondContact O-OG1 3.09Å
382Q68.9Low60.7Low76 Ų7676.1 Ų76.136%0.35538%0.381SS..Hα-helixtrans-64.6-39.8-175.3-71.8176.3-15.500113.4I378 Q379 N384 T385 I386I378-Q382 HydrophobicContact CG2-CG 4.44Å; I378-Q382 WeakPolarHBondContact O-CG 3.48Å; I378-Q382 PolarHBondContact O-N 3.33Å; Q379-Q382 PolarHBondContact O-N 2.87Å; Q382-N384 PolarHBondContact O-N 3.27Å; Q382-T385 WeakPolarHBondContact CA-OG1 3.35Å; Q382-T385 PolarHBondContact O-N 3.28Å; Q382-T385 PolarHBondContact O-OG1 3.01Å; Q382-I386 WeakPolarHBondContact O-CD1 3.43Å; Q382-I386 VanDerWaalsContact O-CG1 3.24Å; Q382-I386 WeakPolarHBondContact O-CG1 3.23Å; Q382-I386 PolarHBondContact O-N 2.7Å
383S60Low58.5Low54 Ų5475.8 Ų75.838%0.37839%0.391SS..Hα-helixtrans-63.3-32.3178.663.60000112.3Q379 F380 I381 N387Q379-S383 WeakPolarHBondContact O-CB 3.49Å; Q379-S383 PolarHBondContact O-N 3.47Å; Q379-S383 PolarHBondContact O-OG 3.41Å; F380-S383 PolarHBondContact O-OG 3.25Å; I381-S383 PolarHBondContact O-N 2.83Å; S383-N387 VanDerWaalsContact O-CG 3.24Å; S383-N387 PolarHBondContact O-N 3.12Å; S383-N387 PolarHBondContact O-ND2 2.65Å
384N56.6Low56Low54 Ų5481.4 Ų81.429%0.28942%0.415SS..Hα-helixtrans-86.7-29.7-178.1-68.4-67.7000112.4F380 I381 Q382 D388 Y412F380-N384 WeakPolarHBondContact CE2-ND2 3.43Å; F380-N384 PolarHBondContact O-ND2 3.38Å; I381-N384 PolarHBondContact O-N 2.83Å; Q382-N384 PolarHBondContact O-N 3.27Å; N384-D388 PolarHBondContact O-N 3.18Å; N384-Y412 WeakPolarHBondContact CB-OH 3.35Å; N384-Y412 PolarHBondContact ND2-OH 3.27Å; N384-Y412 PolarHBondContact OD1-OH 3.13Å
385T53Low53.8Low59 Ų5985.5 Ų85.536%0.36244%0.444SS..Hα-helixtrans-69.7-37.5169.450.10000112.8L270 I381 Q382 D388 E389L270-T385 HydrophobicContact CD1-CG2 4.18Å; I381-T385 HydrophobicContact CG2-CG2 4.47Å; I381-T385 PolarHBondContact O-N 3.5Å; I381-T385 PolarHBondContact O-OG1 3.09Å; Q382-T385 WeakPolarHBondContact CA-OG1 3.35Å; Q382-T385 PolarHBondContact O-N 3.28Å; Q382-T385 PolarHBondContact O-OG1 3.01Å; T385-D388 PolarHBondContact O-N 3.37Å; T385-E389 PolarHBondContact O-N 2.96Å; T385-E389 VanDerWaalsContact O-N 3.13Å
386I44.3Very low51.3Low96 Ų9688.5 Ų88.549%0.49247%0.468SS..Hα-helixtrans-69.3-35.8177.7-64.9165000111.8Q382 D388 E389 N390Q382-I386 WeakPolarHBondContact O-CD1 3.43Å; Q382-I386 VanDerWaalsContact O-CG1 3.24Å; Q382-I386 WeakPolarHBondContact O-CG1 3.23Å; Q382-I386 PolarHBondContact O-N 2.7Å; I386-D388 PolarHBondContact O-N 2.87Å; I386-E389 PolarHBondContact O-N 3.49Å; I386-N390 PolarHBondContact O-N 2.99Å
387N40.8Very low49Very low105 Ų10590 Ų9056%0.56147%0.474SS*.Hα-helixtrans-62.7-34.3174.7-77.4-19.1000111.8S383 S391S383-N387 VanDerWaalsContact O-CG 3.24Å; S383-N387 PolarHBondContact O-N 3.12Å; S383-N387 PolarHBondContact O-ND2 2.65Å; N387-S391 PolarHBondContact O-N 3.3Å
388D42.5Very low46.9Very low114 Ų11499.1 Ų99.161%0.6151%0.509SS*.Hα-helixtrans-72.6-34.2173.6-81.3-17.4000112.6N384 T385 I386 S391 K392N384-D388 PolarHBondContact O-N 3.18Å; T385-D388 PolarHBondContact O-N 3.37Å; I386-D388 PolarHBondContact O-N 2.87Å; D388-S391 WeakPolarHBondContact O-CB 3.43Å; D388-S391 PolarHBondContact O-N 3.17Å; D388-S391 PolarHBondContact O-OG 3.24Å; D388-K392 PolarHBondContact O-N 3.44Å
389E37.5Very low45Very low114 Ų114106 Ų10653%0.53355%0.545SS..Hα-helixtrans-72-37.7176.6-67.8-141.3130.800113.6T385 I386 S391 K392T385-E389 PolarHBondContact O-N 2.96Å; T385-E389 VanDerWaalsContact O-N 3.13Å; I386-E389 PolarHBondContact O-N 3.49Å; E389-S391 PolarHBondContact O-N 3.1Å; E389-K392 HydrophobicContact CG-CD 4.41Å; E389-K392 VanDerWaalsContact O-CB 3.25Å; E389-K392 WeakPolarHBondContact O-CB 3.17Å; E389-K392 PolarHBondContact O-N 3.06Å; E389-K392 IonicContact OE1-NZ 3.55Å; E389-K392 PolarHBondContact OE1-NZ 2.6Å
390N39.6Very low43.2Very low128 Ų128105.9 Ų105.968%0.68455%0.548SS*.Hα-helixtrans-66.5-19.7171.9-76.3-28.4000112I386 K392I386-N390 PolarHBondContact O-N 2.99Å; N390-K392 VanDerWaalsContact C-N 3.34Å
391S38.9Very low41.3Very low48 Ų48109.4 Ų109.434%0.33657%0.565SS.*Hα-helixtrans-77.1-15.4168.890.10000113.7N387 D388 E389 N393 H394N387-S391 PolarHBondContact O-N 3.3Å; D388-S391 WeakPolarHBondContact O-CB 3.43Å; D388-S391 PolarHBondContact O-N 3.17Å; D388-S391 PolarHBondContact O-OG 3.24Å; E389-S391 PolarHBondContact O-N 3.1Å; S391-N393 PolarHBondContact O-N 3.46Å; S391-N393 VanDerWaalsContact O-N 3.07Å; S391-H394 CarbonylContact O-C 3.58Å; S391-H394 PolarHBondContact O-N 2.76Å; S391-H394 VanDerWaalsContact O-O 3.06Å
392K38.3Very low39.8Very low148 Ų148112.5 Ų112.564%0.64359%0.586SS**THydrogen-bonded Turntrans-63.7-17179.6-73.6178.1179.2170.20113.9D388 E389 N390 H394D388-K392 PolarHBondContact O-N 3.44Å; E389-K392 HydrophobicContact CG-CD 4.41Å; E389-K392 VanDerWaalsContact O-CB 3.25Å; E389-K392 WeakPolarHBondContact O-CB 3.17Å; E389-K392 PolarHBondContact O-N 3.06Å; E389-K392 IonicContact OE1-NZ 3.55Å; E389-K392 PolarHBondContact OE1-NZ 2.6Å; N390-K392 VanDerWaalsContact C-N 3.34Å; K392-H394 VanDerWaalsContact C-N 3.3Å
393N33.7Very low38.3Very low147 Ų147114.6 Ų114.679%0.78660%0.599SS**THydrogen-bonded Turntrans-80.5-8.1172.3-76.1-13.5000113.9S391S391-N393 PolarHBondContact O-N 3.46Å; S391-N393 VanDerWaalsContact O-N 3.07Å
394H26.3Very low37.1Very low156 Ų156120.7 Ų120.772%0.72261%0.614SS**SBendtrans-129.4106.7172.2-78.3-60000111.2S391 K392S391-H394 CarbonylContact O-C 3.58Å; S391-H394 PolarHBondContact O-N 2.76Å; S391-H394 VanDerWaalsContact O-O 3.06Å; K392-H394 VanDerWaalsContact C-N 3.3Å
395S29.5Very low36.3Very low87 Ų87122.7 Ų122.761%0.60862%0.624SS**  trans67.511516560.50000115.8I397S395-I397 PolarHBondContact O-N 3.49Å
396T29.3Very low35.8Very low139 Ų139122.6 Ų122.685%0.85362%0.624SS**  trans-29.793.1133.2330000110.1R398T396-R398 PolarHBondContact O-N 2.76Å
397I30.3Very low35.9Very low132 Ų132122.6 Ų122.668%0.67763%0.625SS**  trans-66.996.3168.3-67173.4000104.7S395 L399S395-I397 PolarHBondContact O-N 3.49Å; I397-L399 PolarHBondContact O-N 3.25Å
398R29Very low36.3Very low208 Ų208123.5 Ų123.579%0.78563%0.625SS**  trans-48.1134.7163.4-83176.7167.7168.7-4.4108T396 D400T396-R398 PolarHBondContact O-N 2.76Å; R398-D400 PolarHBondContact O-N 3.28Å
399L33.5Very low36.7Very low159 Ų159121.3 Ų121.383%0.83261%0.613SS**SBendtrans-59.732.8-177.3-78.6147000115.6I397 H401I397-L399 PolarHBondContact O-N 3.25Å; L399-H401 PolarHBondContact O-N 3.4Å
400D37.6Very low37.5Very low123 Ų123122.1 Ų122.166%0.65862%0.617SS**SBendtrans-84.4-5.4-171.4-69.1-23.6000114R398R398-D400 PolarHBondContact O-N 3.28Å
401H31.5Very low38.4Very low140 Ų140119.8 Ų119.865%0.64861%0.607SS**  trans-139.373172.3-71.5-49.3000113.8L399 N403 R404L399-H401 PolarHBondContact O-N 3.4Å; H401-N403 PolarHBondContact O-N 2.74Å; H401-R404 HydrophobicContact CB-CB 4.34Å; H401-R404 PolarHBondContact O-N 3.23Å
402P34Very low39.3Very low76 Ų76120.6 Ų120.649%0.49460%0.603SS.*Hα-helixtrans-56.5-32.7170.122.9-32.2000111.9R404 I405 T406P402-R404 VanDerWaalsContact C-N 3.3Å; P402-R404 PolarHBondContact O-N 3.09Å; P402-I405 PolarHBondContact O-N 2.78Å; P402-T406 PolarHBondContact O-N 3.05Å; P402-T406 PolarHBondContact O-OG1 3.49Å; P402-T406 VanDerWaalsContact O-OG1 3.06Å
403N38.2Very low40.4Very low119 Ų119116.9 Ų116.964%0.63659%0.59SS**Hα-helixtrans-65.6-26.3-177.1-72.12.1000114.5H401 T406 N407H401-N403 PolarHBondContact O-N 2.74Å; N403-T406 WeakPolarHBondContact CA-OG1 3.32Å; N403-T406 PolarHBondContact O-OG1 2.81Å; N403-T406 VanDerWaalsContact O-OG1 3.09Å; N403-N407 WeakPolarHBondContact O-CB 3.35Å; N403-N407 PolarHBondContact O-N 3.13Å; N403-N407 PolarHBondContact O-ND2 2.76Å; N403-N407 PolarHBondContact O-OD1 3.04Å
404R35.6Very low41.9Very low182 Ų182117 Ų11769%0.68758%0.584SS**Hα-helixtrans-79.5-41.2-179.7-148.1177.8-171.3-179.71.8110.8H401 P402 N407 E408H401-R404 HydrophobicContact CB-CB 4.34Å; H401-R404 PolarHBondContact O-N 3.23Å; P402-R404 VanDerWaalsContact C-N 3.3Å; P402-R404 PolarHBondContact O-N 3.09Å; R404-N407 PolarHBondContact O-N 3.23Å; R404-E408 PolarHBondContact O-N 3.15Å; R404-E408 VanDerWaalsContact O-N 3.1Å
405I39.1Very low43.8Very low96 Ų96114.6 Ų114.649%0.49257%0.572SS.*Hα-helixtrans-65-44.1175-58.7173.2000110.1P402 N407 E408 L409P402-I405 PolarHBondContact O-N 2.78Å; I405-N407 VanDerWaalsContact C-N 3.35Å; I405-N407 PolarHBondContact O-N 3.1Å; I405-E408 PolarHBondContact O-N 2.96Å; I405-L409 HydrophobicContact CG2-CD1 3.75Å; I405-L409 WeakPolarHBondContact O-CB 3.27Å; I405-L409 PolarHBondContact O-N 2.86Å
406T42.2Very low45.4Very low58 Ų58111.2 Ų111.236%0.35655%0.546SS..Hα-helixtrans-62.9-39.9176.8470000112.3P402 N403 L409 E410P402-T406 PolarHBondContact O-N 3.05Å; P402-T406 PolarHBondContact O-OG1 3.49Å; P402-T406 VanDerWaalsContact O-OG1 3.06Å; N403-T406 WeakPolarHBondContact CA-OG1 3.32Å; N403-T406 PolarHBondContact O-OG1 2.81Å; N403-T406 VanDerWaalsContact O-OG1 3.09Å; T406-L409 PolarHBondContact O-N 3.39Å; T406-E410 VanDerWaalsContact O-CB 3.3Å; T406-E410 WeakPolarHBondContact O-CB 3.46Å; T406-E410 WeakPolarHBondContact O-CG 3.24Å; T406-E410 PolarHBondContact O-N 3.37Å
407N46.4Very low47.1Very low96 Ų96109 Ų10951%0.51352%0.522SS..Hα-helixtrans-66.5-41.9178.6-75.4-5.1000112.1N403 R404 I405 V411N403-N407 WeakPolarHBondContact O-CB 3.35Å; N403-N407 PolarHBondContact O-N 3.13Å; N403-N407 PolarHBondContact O-ND2 2.76Å; N403-N407 PolarHBondContact O-OD1 3.04Å; R404-N407 PolarHBondContact O-N 3.23Å; I405-N407 VanDerWaalsContact C-N 3.35Å; I405-N407 PolarHBondContact O-N 3.1Å; N407-V411 VanDerWaalsContact O-CG2 3.23Å; N407-V411 WeakPolarHBondContact O-CG2 3.36Å; N407-V411 PolarHBondContact O-N 2.58Å
408E49.3Very low49Very low123 Ų123108 Ų10858%0.57551%0.514SS*.Hα-helixtrans-66.7-45.2176-75.3176.8-17800111R404 I405 E410 V411 Y412R404-E408 PolarHBondContact O-N 3.15Å; R404-E408 VanDerWaalsContact O-N 3.1Å; I405-E408 PolarHBondContact O-N 2.96Å; E408-E410 PolarHBondContact O-N 2.86Å; E408-V411 PolarHBondContact O-N 3.41Å; E408-Y412 WeakPolarHBondContact O-CD2 3.36Å; E408-Y412 PolarHBondContact O-N 2.62Å
409L50Low50.9Low69 Ų69101.1 Ų101.136%0.36149%0.491SS..Hα-helixtrans-61.6-39.5175.5-109.3112.9000113.1I405 T406 Y412 N413I405-L409 HydrophobicContact CG2-CD1 3.75Å; I405-L409 WeakPolarHBondContact O-CB 3.27Å; I405-L409 PolarHBondContact O-N 2.86Å; T406-L409 PolarHBondContact O-N 3.39Å; L409-Y412 WeakPolarHBondContact O-CB 3.47Å; L409-Y412 PolarHBondContact O-N 3.2Å; L409-N413 WeakPolarHBondContact O-CB 2.92Å; L409-N413 PolarHBondContact O-N 2.98Å
410E56.3Low52.6Low131 Ų13194 Ų9461%0.61245%0.454SS*.Hα-helixtrans-64.1-41.1175.2-84.2-173.1170.800111.5T406 E408 Y412 N413 K414T406-E410 VanDerWaalsContact O-CB 3.3Å; T406-E410 WeakPolarHBondContact O-CB 3.46Å; T406-E410 WeakPolarHBondContact O-CG 3.24Å; T406-E410 PolarHBondContact O-N 3.37Å; E408-E410 PolarHBondContact O-N 2.86Å; E410-Y412 VanDerWaalsContact C-N 3.32Å; E410-N413 PolarHBondContact O-N 3.28Å; E410-K414 VanDerWaalsContact O-CB 3.3Å; E410-K414 WeakPolarHBondContact O-CB 3.4Å; E410-K414 PolarHBondContact O-N 3.29Å
411V57.9Low54.2Low79 Ų7991.9 Ų91.948%0.47944%0.44SS..Hα-helixtrans-63.9-39.4174.4172.20000110.7N407 E408 K414 K415N407-V411 VanDerWaalsContact O-CG2 3.23Å; N407-V411 WeakPolarHBondContact O-CG2 3.36Å; N407-V411 PolarHBondContact O-N 2.58Å; E408-V411 PolarHBondContact O-N 3.41Å; V411-K414 PolarHBondContact O-N 2.74Å; V411-K415 WeakPolarHBondContact O-CG 3.21Å; V411-K415 PolarHBondContact O-N 2.8Å
412Y57.7Low56.2Low64 Ų6488.9 Ų88.925%0.25143%0.428SS..Hα-helixtrans-59.3-53.9172.3-99.7-90.5000112.2F380 N384 E408 L409 E410 K414 K415 F416F380-Y412 HydrophobicContact CD1-CD1 4.49Å; F380-Y412 AromaticContact CD1-CE1 3.73Å; F380-Y412 HydrophobicContact CD1-CE1 3.73Å; F380-Y412 AromaticContact CE1-CD1 3.72Å; F380-Y412 HydrophobicContact CE1-CD1 3.72Å; F380-Y412 AromaticContact CE1-CE1 3.05Å; F380-Y412 HydrophobicContact CE1-CE1 3.05Å; F380-Y412 HydrophobicContact CE1-CE2 4.37Å; F380-Y412 AromaticContact CE1-CZ 3.42Å; F380-Y412 VanDerWaalsContact CE1-CZ 3.42Å; F380-Y412 WeakPolarHBondContact CE1-OH 3.41Å; F380-Y412 HydrophobicContact CZ-CD1 4.48Å; F380-Y412 AromaticContact CZ-CE1 3.67Å; F380-Y412 HydrophobicContact CZ-CE1 3.67Å; F380-Y412 HydrophobicContact CZ-CE2 4.22Å; F380-Y412 AromaticContact CZ-CZ 3.48Å; F380-Y412 VanDerWaalsContact CZ-CZ 3.48Å; F380-Y412 WeakPolarHBondContact CZ-OH 3.39Å; N384-Y412 WeakPolarHBondContact CB-OH 3.35Å; N384-Y412 PolarHBondContact ND2-OH 3.27Å; N384-Y412 PolarHBondContact OD1-OH 3.13Å; E408-Y412 WeakPolarHBondContact O-CD2 3.36Å; E408-Y412 PolarHBondContact O-N 2.62Å; L409-Y412 WeakPolarHBondContact O-CB 3.47Å; L409-Y412 PolarHBondContact O-N 3.2Å; E410-Y412 VanDerWaalsContact C-N 3.32Å; Y412-K414 VanDerWaalsContact C-N 3.27Å; Y412-K414 PolarHBondContact O-N 3.3Å; Y412-K415 PolarHBondContact O-N 2.82Å; Y412-F416 WeakPolarHBondContact O-CB 3.46Å; Y412-F416 PolarHBondContact O-N 3.34Å
413N60.6Low58.2Low70 Ų7085.2 Ų85.237%0.37441%0.405SS..Hα-helixtrans-60.6-38.4-179.5-80.4-23.8000111.5L409 E410 F416 W417L409-N413 WeakPolarHBondContact O-CB 2.92Å; L409-N413 PolarHBondContact O-N 2.98Å; E410-N413 PolarHBondContact O-N 3.28Å; N413-F416 PolarHBondContact O-N 3.1Å; N413-W417 WeakPolarHBondContact O-CB 3.42Å; N413-W417 PolarHBondContact O-N 2.62Å
414K65.2Low59.7Low150 Ų15080.5 Ų80.565%0.65238%0.38SS*.Hα-helixtrans-67.7-43.8177.2-166.4176.1-177.2178.20112.2E410 V411 Y412 Q418E410-K414 VanDerWaalsContact O-CB 3.3Å; E410-K414 WeakPolarHBondContact O-CB 3.4Å; E410-K414 PolarHBondContact O-N 3.29Å; V411-K414 PolarHBondContact O-N 2.74Å; Y412-K414 VanDerWaalsContact C-N 3.27Å; Y412-K414 PolarHBondContact O-N 3.3Å; K414-Q418 WeakPolarHBondContact O-CG 3.19Å; K414-Q418 PolarHBondContact O-N 3.03Å; K414-Q418 VanDerWaalsContact O-N 3.15Å
415K65.9Low61.5Low106 Ų10677.5 Ų77.546%0.46137%0.374SS..Hα-helixtrans-64-42.1174.5-78.4-176.4178.3-179.30111.7V411 Y412 Q418 Q419V411-K415 WeakPolarHBondContact O-CG 3.21Å; V411-K415 PolarHBondContact O-N 2.8Å; Y412-K415 PolarHBondContact O-N 2.82Å; K415-Q418 PolarHBondContact O-N 3.23Å; K415-Q419 PolarHBondContact O-N 3.43Å
416F63.7Low63.1Low16 Ų1673.4 Ų73.47%0.0735%0.353CS..Hα-helixtrans-65.5-41179.4-171.1-147.1000111.6F258 L277 F377 Y412 N413 Q418 Q419 Y420 W423F258-F416 HydrophobicContact CE1-CB 4.46Å; F258-F416 AromaticContact CE1-CD1 3.33Å; F258-F416 HydrophobicContact CE1-CD1 3.33Å; F258-F416 AromaticContact CE1-CE1 3.75Å; F258-F416 HydrophobicContact CE1-CE1 3.75Å; F258-F416 HydrophobicContact CE1-CG 4.13Å; F258-F416 HydrophobicContact CE2-CD1 4.06Å; F258-F416 AromaticContact CE2-CE1 3.78Å; F258-F416 HydrophobicContact CE2-CE1 3.78Å; F258-F416 HydrophobicContact CE2-CZ 4.31Å; F258-F416 HydrophobicContact CZ-CB 4.25Å; F258-F416 AromaticContact CZ-CD1 2.97Å; F258-F416 HydrophobicContact CZ-CD1 2.97Å; F258-F416 HydrophobicContact CZ-CD2 4.31Å; F258-F416 AromaticContact CZ-CE1 3.13Å; F258-F416 HydrophobicContact CZ-CE1 3.13Å; F258-F416 HydrophobicContact CZ-CE2 4.48Å; F258-F416 AromaticContact CZ-CG 3.6Å; F258-F416 HydrophobicContact CZ-CG 3.6Å; F258-F416 AromaticContact CZ-CZ 3.94Å; F258-F416 HydrophobicContact CZ-CZ 3.94Å; L277-F416 HydrophobicContact CD1-CE2 3.98Å; L277-F416 HydrophobicContact CD1-CZ 3.99Å; L277-F416 HydrophobicContact CD2-CE2 4.24Å; L277-F416 HydrophobicContact CD2-CZ 4.39Å; L277-F416 HydrophobicContact CG-CZ 4.47Å; F377-F416 AromaticContact CD1-CD2 3.77Å; F377-F416 HydrophobicContact CD1-CD2 3.77Å; F377-F416 AromaticContact CD1-CE2 3.68Å; F377-F416 HydrophobicContact CD1-CE2 3.68Å; F377-F416 HydrophobicContact CD2-CD2 4.32Å; F377-F416 HydrophobicContact CE1-CB 4.46Å; F377-F416 HydrophobicContact CE1-CD1 4.4Å; F377-F416 AromaticContact CE1-CD2 2.99Å; F377-F416 HydrophobicContact CE1-CD2 2.99Å; F377-F416 AromaticContact CE1-CE2 3.08Å; F377-F416 HydrophobicContact CE1-CE2 3.08Å; F377-F416 AromaticContact CE1-CG 3.73Å; F377-F416 HydrophobicContact CE1-CG 3.73Å; F377-F416 AromaticContact CE1-CZ 3.94Å; F377-F416 HydrophobicContact CE1-CZ 3.94Å; F377-F416 HydrophobicContact CE2-CB 3.98Å; F377-F416 AromaticContact CE2-CD2 3.67Å; F377-F416 HydrophobicContact CE2-CD2 3.67Å; F377-F416 HydrophobicContact CE2-CG 4.11Å; F377-F416 HydrophobicContact CG-CD2 4.37Å; F377-F416 HydrophobicContact CZ-CB 3.59Å; F377-F416 HydrophobicContact CZ-CD1 4.21Å; F377-F416 AromaticContact CZ-CD2 2.97Å; F377-F416 HydrophobicContact CZ-CD2 2.97Å; F377-F416 AromaticContact CZ-CE2 3.64Å; F377-F416 HydrophobicContact CZ-CE2 3.64Å; F377-F416 AromaticContact CZ-CG 3.33Å; F377-F416 HydrophobicContact CZ-CG 3.33Å; Y412-F416 WeakPolarHBondContact O-CB 3.46Å; Y412-F416 PolarHBondContact O-N 3.34Å; N413-F416 PolarHBondContact O-N 3.1Å; F416-Q418 VanDerWaalsContact C-N 3.32Å; F416-Q418 PolarHBondContact O-N 2.87Å; F416-Q419 PolarHBondContact O-N 3.48Å; F416-Y420 WeakPolarHBondContact O-CB 3.26Å; F416-Y420 PolarHBondContact O-N 3.42Å; F416-W423 HydrophobicContact CD2-CH2 4.27Å; F416-W423 HydrophobicContact CD2-CZ3 4.39Å; F416-W423 AromaticContact CE2-CH2 3.75Å; F416-W423 HydrophobicContact CE2-CH2 3.75Å; F416-W423 AromaticContact CE2-CZ3 3.7Å; F416-W423 HydrophobicContact CE2-CZ3 3.7Å
417W65Low64.4Low92 Ų9270.7 Ų70.735%0.34834%0.337SS..Hα-helixtrans-64.2-36.2176.1-151.581.9000112.5R262 N413 Y420 Q421R262-W417 VanDerWaalsContact NH2-CD1 3.33Å; N413-W417 WeakPolarHBondContact O-CB 3.42Å; N413-W417 PolarHBondContact O-N 2.62Å; W417-Y420 PolarHBondContact O-N 3.35Å; W417-Q421 HydrophobicContact CD2-CG 4.44Å; W417-Q421 HydrophobicContact CE3-CG 3.79Å; W417-Q421 HydrophobicContact CH2-CG 4.14Å; W417-Q421 HydrophobicContact CZ3-CG 3.62Å; W417-Q421 WeakPolarHBondContact O-CG 3.37Å; W417-Q421 PolarHBondContact O-N 3.02Å; W417-Q421 VanDerWaalsContact O-N 3.1Å
418Q69.7Low65.7Low110 Ų11071.9 Ų71.951%0.51434%0.337SS..Hα-helixtrans-64.6-42.3172.4-74.2176.7-18.300112.1K414 K415 F416 Q421 N422K414-Q418 WeakPolarHBondContact O-CG 3.19Å; K414-Q418 PolarHBondContact O-N 3.03Å; K414-Q418 VanDerWaalsContact O-N 3.15Å; K415-Q418 PolarHBondContact O-N 3.23Å; F416-Q418 VanDerWaalsContact C-N 3.32Å; F416-Q418 PolarHBondContact O-N 2.87Å; Q418-Q421 PolarHBondContact O-N 3.48Å; Q418-N422 VanDerWaalsContact O-CG 3.32Å; Q418-N422 PolarHBondContact O-N 3.49Å; Q418-N422 VanDerWaalsContact O-N 3.15Å; Q418-N422 PolarHBondContact O-ND2 2.89Å
419Q70.2Confident66.8Low64 Ų6469.2 Ų69.230%0.29933%0.327SS..Hα-helixtrans-66-41.4176.3-68.3-62.6-3.800112F377 K415 F416 Q421 N422 W423F377-Q419 HydrophobicContact CD2-CG 4.39Å; K415-Q419 PolarHBondContact O-N 3.43Å; F416-Q419 PolarHBondContact O-N 3.48Å; Q419-Q421 VanDerWaalsContact C-N 3.34Å; Q419-Q421 PolarHBondContact O-N 2.92Å; Q419-N422 WeakPolarHBondContact O-CB 3.29Å; Q419-N422 PolarHBondContact O-N 3.15Å; Q419-N422 VanDerWaalsContact O-N 3.14Å; Q419-W423 HydrophobicContact CB-CH2 4.26Å; Q419-W423 HydrophobicContact CB-CZ2 3.89Å; Q419-W423 PolarHBondContact O-N 3.43Å
420Y69.4Low67.5Low11 Ų1166 Ų664%0.04331%0.31CS..Hα-helixtrans-56.7-44.7174.5171.5-98.8000112.8L251 L254 D255 F258 F416 W417 N422 W423 T424L251-Y420 HydrophobicContact CB-CE2 4.21Å; L251-Y420 HydrophobicContact CD2-CD2 4.28Å; L251-Y420 HydrophobicContact CD2-CE2 4.1Å; L251-Y420 VanDerWaalsContact O-CE2 3.3Å; L251-Y420 WeakPolarHBondContact O-CE2 3.27Å; L251-Y420 PolarHBondContact O-OH 2.78Å; L254-Y420 HydrophobicContact CB-CD2 4.25Å; L254-Y420 HydrophobicContact CB-CE2 4.08Å; D255-Y420 HydrophobicContact CB-CE1 4.46Å; D255-Y420 WeakPolarHBondContact CB-OH 3.39Å; F258-Y420 HydrophobicContact CE2-CD2 4.39Å; F258-Y420 HydrophobicContact CE2-CG 4.15Å; F416-Y420 WeakPolarHBondContact O-CB 3.26Å; F416-Y420 PolarHBondContact O-N 3.42Å; W417-Y420 PolarHBondContact O-N 3.35Å; Y420-N422 PolarHBondContact O-N 3.03Å; Y420-W423 PolarHBondContact O-N 3.36Å; Y420-T424 WeakPolarHBondContact O-CB 2.97Å; Y420-T424 PolarHBondContact O-N 3.27Å; Y420-T424 PolarHBondContact O-OG1 2.99Å
421Q69.7Low67.9Low78 Ų7862 Ų6236%0.36429%0.292SS..Hα-helixtrans-61.4-44.4175.5-69.9-65.3-29.700111.2W417 Q418 Q419 W423 T424 E425W417-Q421 HydrophobicContact CD2-CG 4.44Å; W417-Q421 HydrophobicContact CE3-CG 3.79Å; W417-Q421 HydrophobicContact CH2-CG 4.14Å; W417-Q421 HydrophobicContact CZ3-CG 3.62Å; W417-Q421 WeakPolarHBondContact O-CG 3.37Å; W417-Q421 PolarHBondContact O-N 3.02Å; W417-Q421 VanDerWaalsContact O-N 3.1Å; Q418-Q421 PolarHBondContact O-N 3.48Å; Q419-Q421 VanDerWaalsContact C-N 3.34Å; Q419-Q421 PolarHBondContact O-N 2.92Å; Q421-W423 VanDerWaalsContact C-N 3.35Å; Q421-W423 PolarHBondContact O-N 3.24Å; Q421-T424 PolarHBondContact O-N 3.03Å; Q421-E425 WeakPolarHBondContact O-CB 3.4Å; Q421-E425 PolarHBondContact O-N 3.01Å
422N74.7Confident68.1Low76 Ų7662.5 Ų62.541%0.40629%0.292SS..Hα-helixtrans-61.2-40.7176.8-67.8-18.9000112.5Q418 Q419 Y420 T426Q418-N422 VanDerWaalsContact O-CG 3.32Å; Q418-N422 PolarHBondContact O-N 3.49Å; Q418-N422 VanDerWaalsContact O-N 3.15Å; Q418-N422 PolarHBondContact O-ND2 2.89Å; Q419-N422 WeakPolarHBondContact O-CB 3.29Å; Q419-N422 PolarHBondContact O-N 3.15Å; Q419-N422 VanDerWaalsContact O-N 3.14Å; Y420-N422 PolarHBondContact O-N 3.03Å; N422-T426 WeakPolarHBondContact O-CB 3.27Å; N422-T426 PolarHBondContact O-N 2.86Å; N422-T426 PolarHBondContact O-OG1 3.33Å
423W75.7Confident68.1Low0 Ų061.1 Ų61.10%029%0.292CS..Hα-helixtrans-66.3-45.7177.3-61.2-25.2000111.7L251 L277 L370 N373 I374 F377 F416 Q419 Y420 Q421 E425 T426 I427L251-W423 HydrophobicContact CD2-CB 4.22Å; L251-W423 HydrophobicContact CD2-CE3 4.44Å; L277-W423 HydrophobicContact CD2-CH2 3.64Å; L277-W423 HydrophobicContact CD2-CZ3 3.5Å; L277-W423 VanDerWaalsContact CD2-CZ3 3.5Å; L370-W423 HydrophobicContact CD1-CB 3.73Å; L370-W423 HydrophobicContact CD1-CG 3.95Å; N373-W423 VanDerWaalsContact CB-NE1 3.34Å; I374-W423 HydrophobicContact CB-CZ2 4.44Å; I374-W423 HydrophobicContact CG1-CD2 4.19Å; I374-W423 HydrophobicContact CG1-CH2 4.4Å; I374-W423 HydrophobicContact CG1-CZ2 3.88Å; F377-W423 HydrophobicContact CB-CH2 4.26Å; F377-W423 HydrophobicContact CB-CZ2 4.04Å; F377-W423 AromaticContact CD1-CH2 3.94Å; F377-W423 HydrophobicContact CD1-CH2 3.94Å; F377-W423 HydrophobicContact CG-CH2 4.13Å; F377-W423 HydrophobicContact CG-CZ2 4.32Å; F416-W423 HydrophobicContact CD2-CH2 4.27Å; F416-W423 HydrophobicContact CD2-CZ3 4.39Å; F416-W423 AromaticContact CE2-CH2 3.75Å; F416-W423 HydrophobicContact CE2-CH2 3.75Å; F416-W423 AromaticContact CE2-CZ3 3.7Å; F416-W423 HydrophobicContact CE2-CZ3 3.7Å; Q419-W423 HydrophobicContact CB-CH2 4.26Å; Q419-W423 HydrophobicContact CB-CZ2 3.89Å; Q419-W423 PolarHBondContact O-N 3.43Å; Y420-W423 PolarHBondContact O-N 3.36Å; Q421-W423 VanDerWaalsContact C-N 3.35Å; Q421-W423 PolarHBondContact O-N 3.24Å; W423-E425 VanDerWaalsContact C-N 3.31Å; W423-E425 PolarHBondContact O-N 3.3Å; W423-T426 WeakPolarHBondContact O-CB 3.45Å; W423-T426 PolarHBondContact O-N 3.46Å; W423-T426 VanDerWaalsContact O-N 3.1Å; W423-I427 WeakPolarHBondContact O-CG1 3.27Å; W423-I427 PolarHBondContact O-N 2.97Å
424T69.6Low67.7Low19 Ų1958.5 Ų58.512%0.11728%0.277CS..Hα-helixtrans-59.6-42.6177.2-48.70000111.4Y420 Q421 K428Y420-T424 WeakPolarHBondContact O-CB 2.97Å; Y420-T424 PolarHBondContact O-N 3.27Å; Y420-T424 PolarHBondContact O-OG1 2.99Å; Q421-T424 PolarHBondContact O-N 3.03Å; T424-K428 WeakPolarHBondContact O-CG 3.46Å; T424-K428 PolarHBondContact O-N 2.9Å
425E73.6Confident66.4Low119 Ų11953.3 Ų53.356%0.55626%0.259SS*.Hα-helixtrans-67.5-37.1174.9-170.3164.8-170.500112Q421 W423 K428 N429Q421-E425 WeakPolarHBondContact O-CB 3.4Å; Q421-E425 PolarHBondContact O-N 3.01Å; W423-E425 VanDerWaalsContact C-N 3.31Å; W423-E425 PolarHBondContact O-N 3.3Å; E425-K428 PolarHBondContact O-N 3.45Å; E425-N429 WeakPolarHBondContact O-CB 3.38Å; E425-N429 PolarHBondContact O-N 2.97Å; E425-N429 PolarHBondContact O-ND2 3.32Å; E425-N429 VanDerWaalsContact O-ND2 3.13Å
426T73Confident65.2Low11 Ų1156 Ų567%0.06727%0.274CS..Hα-helixtrans-65-43.4175.8-55.80000111.7L366 L370 N422 W423 N429 I430L366-T426 HydrophobicContact CB-CG2 4.17Å; L366-T426 HydrophobicContact CD2-CG2 4.25Å; L370-T426 HydrophobicContact CB-CG2 4.28Å; L370-T426 HydrophobicContact CD1-CG2 4.35Å; N422-T426 WeakPolarHBondContact O-CB 3.27Å; N422-T426 PolarHBondContact O-N 2.86Å; N422-T426 PolarHBondContact O-OG1 3.33Å; W423-T426 WeakPolarHBondContact O-CB 3.45Å; W423-T426 PolarHBondContact O-N 3.46Å; W423-T426 VanDerWaalsContact O-N 3.1Å; T426-N429 PolarHBondContact O-N 3.35Å; T426-I430 HydrophobicContact CG2-CD1 4.26Å; T426-I430 VanDerWaalsContact O-CG1 3.29Å; T426-I430 WeakPolarHBondContact O-CG1 3.27Å; T426-I430 PolarHBondContact O-N 3.29Å
427I69.1Low63.8Low1 Ų157.1 Ų57.11%0.00528%0.282CS..Hα-helixtrans-65.6-41.4175.8-64.7-155.2000111.3L247 D248 L251 L370 W423 N429 I430 L431L247-I427 HydrophobicContact CB-CD1 3.55Å; L247-I427 HydrophobicContact CD1-CD1 4.31Å; L247-I427 HydrophobicContact CG-CD1 4.46Å; D248-I427 HydrophobicContact CB-CG2 4.43Å; L251-I427 HydrophobicContact CD1-CB 4.18Å; L251-I427 HydrophobicContact CD1-CD1 3.43Å; L251-I427 VanDerWaalsContact CD1-CD1 3.43Å; L251-I427 HydrophobicContact CD1-CG1 3.81Å; L251-I427 HydrophobicContact CG-CD1 4.14Å; L370-I427 HydrophobicContact CD1-CG1 4.22Å; L370-I427 HydrophobicContact CD2-CD1 4.1Å; L370-I427 HydrophobicContact CD2-CG1 4.11Å; W423-I427 WeakPolarHBondContact O-CG1 3.27Å; W423-I427 PolarHBondContact O-N 2.97Å; I427-N429 VanDerWaalsContact C-N 3.31Å; I427-N429 PolarHBondContact O-N 2.68Å; I427-I430 PolarHBondContact O-N 2.96Å; I427-I430 VanDerWaalsContact O-N 3.14Å; I427-L431 HydrophobicContact CG2-CD1 4.04Å; I427-L431 HydrophobicContact CG2-CG 4.4Å; I427-L431 WeakPolarHBondContact O-CG 3.47Å; I427-L431 PolarHBondContact O-N 2.93Å
428K72.8Confident62.4Low120 Ų12054.7 Ų54.752%0.52228%0.276SS..Hα-helixtrans-58.5-43.5172.1-77.2179.6179.7179.70111.9T424 E425 I430 L431 D432T424-K428 WeakPolarHBondContact O-CG 3.46Å; T424-K428 PolarHBondContact O-N 2.9Å; E425-K428 PolarHBondContact O-N 3.45Å; K428-I430 VanDerWaalsContact C-N 3.31Å; K428-I430 PolarHBondContact O-N 3.04Å; K428-L431 PolarHBondContact O-N 3.45Å; K428-D432 WeakPolarHBondContact O-CB 3.45Å; K428-D432 PolarHBondContact O-N 3.21Å
429N72Confident60.5Low68 Ų6855.1 Ų55.136%0.36428%0.281SS..Hα-helixtrans-63.8-35.7175.7-70.1-30.7000112.3L366 E425 T426 I427 D432 C433L366-N429 HydrophobicContact CD1-CB 4.12Å; E425-N429 WeakPolarHBondContact O-CB 3.38Å; E425-N429 PolarHBondContact O-N 2.97Å; E425-N429 PolarHBondContact O-ND2 3.32Å; E425-N429 VanDerWaalsContact O-ND2 3.13Å; T426-N429 PolarHBondContact O-N 3.35Å; I427-N429 VanDerWaalsContact C-N 3.31Å; I427-N429 PolarHBondContact O-N 2.68Å; N429-D432 PolarHBondContact O-N 2.94Å; N429-C433 WeakPolarHBondContact O-CB 3.31Å; N429-C433 PolarHBondContact O-N 3.01Å; N429-C433 PolarHBondContact O-SG 3.22Å
430I66.4Low58.5Low0 Ų055.2 Ų55.20%028%0.284CS..Hα-helixtrans-66.6-45.7174.6-65160.6000110.6L244 I363 L366 L367 T426 I427 K428 D432 C433 K434L244-I430 HydrophobicContact CD1-CG2 3.7Å; L244-I430 HydrophobicContact CD2-CB 4.31Å; L244-I430 HydrophobicContact CD2-CG2 3.49Å; L244-I430 VanDerWaalsContact CD2-CG2 3.49Å; L244-I430 HydrophobicContact CG-CG2 4.26Å; I363-I430 HydrophobicContact CG1-CG2 4.36Å; I363-I430 HydrophobicContact CG2-CG2 4.29Å; L366-I430 HydrophobicContact CB-CD1 3.81Å; L366-I430 HydrophobicContact CB-CG1 3.38Å; L366-I430 HydrophobicContact CD1-CG1 3.71Å; L366-I430 HydrophobicContact CG-CG1 4.18Å; L367-I430 HydrophobicContact CG-CD1 4.12Å; T426-I430 HydrophobicContact CG2-CD1 4.26Å; T426-I430 VanDerWaalsContact O-CG1 3.29Å; T426-I430 WeakPolarHBondContact O-CG1 3.27Å; T426-I430 PolarHBondContact O-N 3.29Å; I427-I430 PolarHBondContact O-N 2.96Å; I427-I430 VanDerWaalsContact O-N 3.14Å; K428-I430 VanDerWaalsContact C-N 3.31Å; K428-I430 PolarHBondContact O-N 3.04Å; I430-D432 VanDerWaalsContact C-N 3.28Å; I430-D432 PolarHBondContact O-N 2.78Å; I430-C433 WeakPolarHBondContact O-CB 3.32Å; I430-C433 PolarHBondContact O-N 3.42Å; I430-K434 PolarHBondContact O-N 3.48Å
431L63.3Low56.6Low47 Ų4760.8 Ų60.825%0.24631%0.311CS..Hα-helixtrans-60-40.4174.5-72168.2000110.8L244 I427 K428 K434 C435L244-L431 HydrophobicContact CB-CD2 3.88Å; L244-L431 HydrophobicContact CD1-CD2 4.28Å; I427-L431 HydrophobicContact CG2-CD1 4.04Å; I427-L431 HydrophobicContact CG2-CG 4.4Å; I427-L431 WeakPolarHBondContact O-CG 3.47Å; I427-L431 PolarHBondContact O-N 2.93Å; K428-L431 PolarHBondContact O-N 3.45Å; L431-K434 CarbonylContact O-C 3.54Å; L431-K434 PolarHBondContact O-N 3.43Å; L431-C435 WeakPolarHBondContact O-CB 3.44Å; L431-C435 PolarHBondContact O-N 3.16Å; L431-C435 PolarHBondContact O-SG 2.8Å; L431-C435 VanDerWaalsContact O-SG 3.33Å
432D62.6Low54.4Low90 Ų9064.7 Ų64.748%0.48133%0.333SS..Hα-helixtrans-69.7-39.3178-77-16.3000112.9K428 N429 I430 K434 C435 Q436K428-D432 WeakPolarHBondContact O-CB 3.45Å; K428-D432 PolarHBondContact O-N 3.21Å; N429-D432 PolarHBondContact O-N 2.94Å; I430-D432 VanDerWaalsContact C-N 3.28Å; I430-D432 PolarHBondContact O-N 2.78Å; D432-K434 PolarHBondContact O-N 3.38Å; D432-C435 PolarHBondContact O-N 2.79Å; D432-Q436 PolarHBondContact O-N 3.34Å
433C58.4Low52.1Low36 Ų3666.5 Ų66.524%0.24335%0.352CS..Hα-helixtrans-55.5-33.9171.7-79.50000111.5I363 N429 I430I363-C433 HydrophobicContact CG1-CB 4.46Å; N429-C433 WeakPolarHBondContact O-CB 3.31Å; N429-C433 PolarHBondContact O-N 3.01Å; N429-C433 PolarHBondContact O-SG 3.22Å; I430-C433 WeakPolarHBondContact O-CB 3.32Å; I430-C433 PolarHBondContact O-N 3.42Å
434K51.9Low49.8Very low14 Ų1475 Ų756%0.06140%0.396CS..Hα-helixtrans-85.7-35.1174.4-160.4-177.9179.6-155.50113.2N237 I430 L431 D432 Q436 T437 D438N237-K434 PolarHBondContact O-NZ 3.45Å; I430-K434 PolarHBondContact O-N 3.48Å; L431-K434 CarbonylContact O-C 3.54Å; L431-K434 PolarHBondContact O-N 3.43Å; D432-K434 PolarHBondContact O-N 3.38Å; K434-Q436 PolarHBondContact O-N 3.03Å; K434-T437 CarbonylContact O-C 3.56Å; K434-T437 WeakPolarHBondContact O-CA 3.35Å; K434-T437 PolarHBondContact O-N 3.19Å; K434-T437 PolarHBondContact O-OG1 2.93Å; K434-D438 WeakPolarHBondContact CE-OD2 3.46Å; K434-D438 IonicContact NZ-OD2 3.49Å; K434-D438 PolarHBondContact NZ-OD2 2.78Å; K434-D438 PolarHBondContact O-N 2.99Å
435C38.2Very low47.7Very low41 Ų4183.3 Ų83.328%0.27743%0.431SS..Hα-helixtrans-59.9-29172.3-78.60000111.9L431 D432 T437 D438 N439L431-C435 WeakPolarHBondContact O-CB 3.44Å; L431-C435 PolarHBondContact O-N 3.16Å; L431-C435 PolarHBondContact O-SG 2.8Å; L431-C435 VanDerWaalsContact O-SG 3.33Å; D432-C435 PolarHBondContact O-N 2.79Å; C435-T437 VanDerWaalsContact C-N 3.25Å; C435-T437 PolarHBondContact O-N 2.94Å; C435-D438 PolarHBondContact O-N 3.21Å; C435-N439 WeakPolarHBondContact CB-ND2 3.49Å; C435-N439 WeakPolarHBondContact O-CB 3.25Å; C435-N439 PolarHBondContact O-N 3.25Å
436Q39.6Very low45.4Very low164 Ų16486.4 Ų86.477%0.76645%0.445SS*.Hα-helixtrans-67.9-22170.6-73.2-173.6-200113.8D432 K434D432-Q436 PolarHBondContact O-N 3.34Å; K434-Q436 PolarHBondContact O-N 3.03Å
437T35.6Very low43.1Very low39 Ų3994.3 Ų94.324%0.23948%0.484CS..Hα-helixtrans-86.5-40.6169.157.40000112.2K434 C435K434-T437 CarbonylContact O-C 3.56Å; K434-T437 WeakPolarHBondContact O-CA 3.35Å; K434-T437 PolarHBondContact O-N 3.19Å; K434-T437 PolarHBondContact O-OG1 2.93Å; C435-T437 VanDerWaalsContact C-N 3.25Å; C435-T437 PolarHBondContact O-N 2.94Å
438D34.8Very low40.8Very low40 Ų4099.3 Ų99.321%0.21452%0.518CS..Hα-helixtrans-96.1-24.2-167.9-63.64.8000114.5K434 C435 N440 E441K434-D438 WeakPolarHBondContact CE-OD2 3.46Å; K434-D438 IonicContact NZ-OD2 3.49Å; K434-D438 PolarHBondContact NZ-OD2 2.78Å; K434-D438 PolarHBondContact O-N 2.99Å; C435-D438 PolarHBondContact O-N 3.21Å; D438-N440 PolarHBondContact O-N 2.93Å; D438-E441 PolarHBondContact O-N 3.37Å
439N29.4Very low38.5Very low119 Ų119100.4 Ų100.464%0.63653%0.529SS*.THydrogen-bonded Turntrans-67.212-173.8-78.3-11.6000115.7C435C435-N439 WeakPolarHBondContact CB-ND2 3.49Å; C435-N439 WeakPolarHBondContact O-CB 3.25Å; C435-N439 PolarHBondContact O-N 3.25Å
440N29.8Very low36.3Very low66 Ų66102.4 Ų102.435%0.35355%0.545SS..THydrogen-bonded Turntrans-100.49.3166.2-69.7-58.1000113.7D438 L442 H484 N485D438-N440 PolarHBondContact O-N 2.93Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 3.44Å; N440-H484 WeakPolarHBondContact CB-O 3.42Å; N440-H484 PolarHBondContact ND2-O 3.47Å; N440-N485 HydrophobicContact CB-CB 4.16Å
441E27.6Very low34.4Very low129 Ų129110.3 Ų110.360%0.60359%0.587SS**  trans-70.177.6162.7-77.5-168.714700112.2D438D438-E441 PolarHBondContact O-N 3.37Å
442L24.6Very low32.6Very low159 Ų159112.5 Ų112.583%0.83261%0.607SS**  trans-152.880.2163.3-106.5160.7000108.2N440N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 3.44Å
443S27.2Very low30.8Very low115 Ų115116 Ų11680%0.80462%0.624SS**  trans177.263154.7-75.60000110.5K445S443-K445 PolarHBondContact O-N 2.76Å
444L25.7Very low29.2Very low177 Ų177121 Ų12193%0.92765%0.648SS**  trans-75.571.5156.3-121.3136.9000107.4Q446L444-Q446 PolarHBondContact O-N 2.78Å
445K25.8Very low28Very low194 Ų194129.2 Ų129.284%0.84369%0.687SS**  trans-83.9107.6155.4-92.7-171.1177.2-178.30105.6S443 M447S443-K445 PolarHBondContact O-N 2.76Å; K445-M447 VanDerWaalsContact C-N 3.33Å; K445-M447 PolarHBondContact O-N 2.93Å
446Q25.9Very low27.3Very low185 Ų185135 Ų13586%0.86471%0.713SS**  trans-32.995.2161.8-68167.9-30.200110.2L444L444-Q446 PolarHBondContact O-N 2.78Å
447M23.6Very low26.7Very low177 Ų177133.6 Ų133.687%0.87271%0.711SS**  trans-107.392.8155.9-103.3175.1149.500104.3K445 I449K445-M447 VanDerWaalsContact C-N 3.33Å; K445-M447 PolarHBondContact O-N 2.93Å; M447-I449 PolarHBondContact O-N 2.86Å; M447-I449 VanDerWaalsContact O-N 3.1Å
448S22.7Very low26.2Very low105 Ų105137.1 Ų137.173%0.73474%0.737SS**  trans-28.9112.2158.4340000110.3P450S448-P450 VanDerWaalsContact O-CD 3.26Å; S448-P450 WeakPolarHBondContact O-CD 3.4Å
449I24.4Very low25.7Very low144 Ų144139.5 Ų139.574%0.73876%0.757SS**  trans-54.3117.3157.4-62.1165.8000104.9M447 D451M447-I449 PolarHBondContact O-N 2.86Å; M447-I449 VanDerWaalsContact O-N 3.1Å; I449-D451 PolarHBondContact O-N 3.3Å
450P24.7Very low25.5Very low110 Ų110140.3 Ų140.371%0.71476%0.761SS**  trans-65.2110.2168.8-1328.3000106.6S448 S452S448-P450 VanDerWaalsContact O-CD 3.26Å; S448-P450 WeakPolarHBondContact O-CD 3.4Å; P450-S452 PolarHBondContact O-N 3.1Å
451D26.4Very low25.3Very low165 Ų165143.1 Ų143.188%0.88279%0.786SS**  trans-60.785163.1-77.9-38.8000108.6I449I449-D451 PolarHBondContact O-N 3.3Å
452S26.5Very low25.2Very low94 Ų94140.2 Ų140.266%0.65778%0.78SS**  trans-160.378.2156.4650000109.1P450 N454P450-S452 PolarHBondContact O-N 3.1Å; S452-N454 PolarHBondContact O-N 2.68Å
453I24.2Very low25.3Very low163 Ų163137.2 Ų137.284%0.83677%0.772SS**  trans-66.8105.2141-64.1167.8000104.9
454N25.6Very low25.2Very low141 Ų141136.2 Ų136.275%0.75477%0.765SS**  trans162.681.2152.1-82.5-18.5000108S452S452-N454 PolarHBondContact O-N 2.68Å
455E26.9Very low25.3Very low186 Ų186132.8 Ų132.887%0.86976%0.756SS**  trans-17696.8135.4-101.1163.4-167.500107.1D457E455-D457 VanDerWaalsContact C-N 3.28Å; E455-D457 PolarHBondContact O-N 3.25Å; E455-D457 VanDerWaalsContact O-N 3.11Å
456I23.6Very low25.3Very low162 Ų162129.1 Ų129.183%0.83176%0.755SS**  trans-60.7102.5151.6-65163.2000104.1
457D26.9Very low25.3Very low136 Ų136130.4 Ų130.473%0.72775%0.752SS**  trans-144.7105.3146.1-94.3-29000110.5E455 S459E455-D457 VanDerWaalsContact C-N 3.28Å; E455-D457 PolarHBondContact O-N 3.25Å; E455-D457 VanDerWaalsContact O-N 3.11Å; D457-S459 PolarHBondContact O-N 3.06Å; D457-S459 VanDerWaalsContact O-N 3.15Å
458S23.5Very low25.4Very low113 Ų113129.2 Ų129.279%0.7974%0.742SS**  trans-57100158.847.30000110.2
459S25.1Very low25.5Very low90 Ų90127.1 Ų127.163%0.62973%0.727SS**  trans-168.2110.4149.844.60000112D457D457-S459 PolarHBondContact O-N 3.06Å; D457-S459 VanDerWaalsContact O-N 3.15Å
460N25.2Very low25.6Very low135 Ų135124.3 Ų124.372%0.72271%0.711SS**  trans66.299.5134.9-59.1-16.1000117.9S462N460-S462 PolarHBondContact O-N 3.49Å; N460-S462 VanDerWaalsContact O-N 3.12Å
461S25.2Very low25.6Very low125 Ų125124.1 Ų124.187%0.87471%0.71SS**  trans-53.8104.813053.70000109.5
462S25.4Very low25.8Very low68 Ų68121.7 Ų121.748%0.47670%0.701SS.*  trans-136.373.7163.154.40000109.6N460N460-S462 PolarHBondContact O-N 3.49Å; N460-S462 VanDerWaalsContact O-N 3.12Å
463S27.1Very low26Very low96 Ų96120.7 Ų120.767%0.67169%0.691SS**  trans-105.572154500000108.3S465S463-S465 PolarHBondContact O-N 3.23Å
464S24.6Very low26.4Very low94 Ų94117.1 Ų117.166%0.65769%0.686SS**  trans-77.192164.350.20000108.9
465S27.2Very low26.9Very low106 Ų106112.7 Ų112.774%0.74166%0.66SS**  trans-65.5132.5151.9179.30000108.3S463 R467S463-S465 PolarHBondContact O-N 3.23Å; S465-R467 PolarHBondContact O-N 3.34Å
466S26.1Very low27.5Very low116 Ų116111 Ų11181%0.81165%0.652SS**SBendtrans-66.747.5-166.149.80000116.3
467R25.5Very low28.8Very low212 Ų212112 Ų11280%0.865%0.651SS**  trans-109.6105.2158.3-76.8-175.7-165.3167.36.7108.7S465 S469S465-R467 PolarHBondContact O-N 3.34Å; R467-S469 PolarHBondContact O-N 2.98Å; R467-S469 PolarHBondContact O-OG 3.37Å
468F26.4Very low29.5Very low153 Ų153107.5 Ų107.567%0.67162%0.623SS**  trans-47.982.3166.7-82-85.5000110.5T132T132-F468 VanDerWaalsContact CG2-O 3.23Å; T132-F468 WeakPolarHBondContact CG2-O 3.22Å
469S24.3Very low31Very low60 Ų60104.2 Ų104.242%0.4260%0.597SS.*  trans-133.5117.917747.10000105.1R467R467-S469 PolarHBondContact O-N 2.98Å; R467-S469 PolarHBondContact O-OG 3.37Å
470Q26.4Very low32.2Very low85 Ų85103.7 Ų103.740%0.39759%0.591SS.*  trans-47.9142.4179-147.4167.2-700109.5R135 T472R135-Q470 VanDerWaalsContact CZ-CG 3.5Å; R135-Q470 VanDerWaalsContact CZ-NE2 3.29Å; R135-Q470 VanDerWaalsContact NE-OE1 3.16Å; R135-Q470 VanDerWaalsContact NH1-CB 3.29Å; Q470-T472 PolarHBondContact O-N 3.45Å
471P26.2Very low33.2Very low107 Ų10798.6 Ų98.670%0.69556%0.564SS**  trans-73.172170.932.3-32.6000108.1V473P471-V473 PolarHBondContact O-N 2.93Å
472T30.2Very low34.1Very low114 Ų11498.5 Ų98.570%0.69955%0.549SS*.  trans-66.387.5139.532.20000104.1Q470 A474Q470-T472 PolarHBondContact O-N 3.45Å; T472-A474 VanDerWaalsContact C-N 3.27Å; T472-A474 PolarHBondContact O-N 3.39Å
473V31.1Very low35Very low72 Ų72101.7 Ų101.744%0.43656%0.556SS.*  trans-47.1108.7157175.70000103.5P471 F475P471-V473 PolarHBondContact O-N 2.93Å; V473-F475 PolarHBondContact O-N 2.92Å
474A32.1Very low35.7Very low88 Ų88103.3 Ų103.373%0.72755%0.553SS**  trans-59.799.1170.200000103.3T472 E476T472-A474 VanDerWaalsContact C-N 3.27Å; T472-A474 PolarHBondContact O-N 3.39Å; A474-E476 VanDerWaalsContact C-N 3.33Å; A474-E476 PolarHBondContact O-N 3.34Å
475F35.8Very low36.6Very low49 Ų49100.8 Ų100.822%0.21553%0.532CS..  trans-59.7104.6-174.8-138.6-101.9000105.3Y334 I338 V473 K477 W478 K499 L503Y334-F475 HydrophobicContact CE1-CB 4.36Å; Y334-F475 HydrophobicContact CE1-CD1 4.22Å; Y334-F475 HydrophobicContact CE1-CG 4.13Å; Y334-F475 WeakPolarHBondContact OH-CD1 3.23Å; I338-F475 HydrophobicContact CD1-CD1 4.27Å; I338-F475 HydrophobicContact CD1-CE1 3.81Å; I338-F475 HydrophobicContact CD1-CZ 4.16Å; V473-F475 PolarHBondContact O-N 2.92Å; F475-K477 PolarHBondContact O-N 2.92Å; F475-W478 HydrophobicContact CE1-CE3 4.32Å; F475-K499 HydrophobicContact CE1-CB 4.31Å; F475-K499 HydrophobicContact CZ-CB 4.01Å; F475-L503 HydrophobicContact CD2-CD1 3.87Å; F475-L503 HydrophobicContact CE1-CD1 4.37Å; F475-L503 HydrophobicContact CE2-CB 3.75Å; F475-L503 HydrophobicContact CE2-CD1 3.28Å; F475-L503 HydrophobicContact CE2-CG 4.11Å; F475-L503 HydrophobicContact CZ-CB 3.95Å; F475-L503 HydrophobicContact CZ-CD1 3.55Å; F475-L503 HydrophobicContact CZ-CG 4.37Å
476E39.9Very low37.6Very low149 Ų14998.2 Ų98.270%0.69651%0.509SS*.  trans-51.6118.4168.8-78.4-17415800105.3A474 W478 K499A474-E476 VanDerWaalsContact C-N 3.33Å; A474-E476 PolarHBondContact O-N 3.34Å; E476-W478 PolarHBondContact O-N 3.42Å; E476-K499 IonicContact OE2-NZ 2.7Å
477K49.6Very low38.6Very low185 Ų18598.6 Ų98.680%0.80450%0.501SS*.  trans-34.2129-171.2-81.6178.4174.51760110.6F475 N479F475-K477 PolarHBondContact O-N 2.92Å; K477-N479 PolarHBondContact O-N 3.16Å; K477-N479 VanDerWaalsContact O-N 3.12Å; K477-N479 PolarHBondContact O-OD1 2.95Å
478W43.4Very low39.8Very low40 Ų4094.3 Ų94.315%0.15249%0.489CS..  trans-39.8121.8169.6-171.1-98.3000108.8I338 Q341 L342 D345 F475 E476 P480 N496I338-W478 HydrophobicContact CB-CZ3 4.49Å; I338-W478 HydrophobicContact CG1-CE3 4.36Å; I338-W478 HydrophobicContact CG2-CE3 4.02Å; I338-W478 HydrophobicContact CG2-CH2 3.73Å; I338-W478 HydrophobicContact CG2-CZ3 3.38Å; Q341-W478 HydrophobicContact CG-CZ2 4.38Å; L342-W478 HydrophobicContact CB-CH2 3.97Å; L342-W478 HydrophobicContact CB-CZ2 4.13Å; L342-W478 HydrophobicContact CD1-CH2 4.1Å; L342-W478 HydrophobicContact CD1-CZ2 4.29Å; D345-W478 PolarHBondContact OD2-NE1 2.94Å; F475-W478 HydrophobicContact CE1-CE3 4.32Å; E476-W478 PolarHBondContact O-N 3.42Å; W478-P480 WeakPolarHBondContact O-CD 3.32Å; W478-P480 VanDerWaalsContact O-N 3.12Å; W478-N496 HydrophobicContact CH2-CB 3.89Å; W478-N496 HydrophobicContact CZ2-CB 4.03Å; W478-N496 HydrophobicContact CZ3-CB 4.27Å
479N54.8Low41.3Very low45 Ų4587.5 Ų87.524%0.24146%0.459CS..  trans-71.8110.5-176.6-75.5-13.5000106.9K477 I481 Q495 N496K477-N479 PolarHBondContact O-N 3.16Å; K477-N479 VanDerWaalsContact O-N 3.12Å; K477-N479 PolarHBondContact O-OD1 2.95Å; N479-I481 PolarHBondContact O-N 2.7Å; N479-I481 VanDerWaalsContact O-N 3.14Å; N479-Q495 PolarHBondContact ND2-OE1 3.35Å; N479-N496 PolarHBondContact O-ND2 2.83Å
480P49.2Very low43Very low79 Ų7985.4 Ų85.451%0.51344%0.444SS..  trans-62.3122174.826.1-31.4000108.1W478 H482W478-P480 WeakPolarHBondContact O-CD 3.32Å; W478-P480 VanDerWaalsContact O-N 3.12Å; P480-H482 PolarHBondContact O-N 2.77Å; P480-H482 VanDerWaalsContact O-N 3.11Å
481I46.1Very low44.7Very low28 Ų2885.6 Ų85.614%0.14445%0.447CS..  trans-80.598.6179.5-52.5-176000107D345 N479 N489 N492 Y493D345-I481 HydrophobicContact CB-CD1 4.05Å; N479-I481 PolarHBondContact O-N 2.7Å; N479-I481 VanDerWaalsContact O-N 3.14Å; I481-N489 HydrophobicContact CG2-CB 4.19Å; I481-N489 WeakPolarHBondContact CG2-OD1 3.3Å; I481-N492 HydrophobicContact CG1-CB 4.3Å; I481-Y493 HydrophobicContact CD1-CD1 3.27Å; I481-Y493 HydrophobicContact CD1-CE1 3.16Å; I481-Y493 HydrophobicContact CD1-CG 4.03Å; I481-Y493 HydrophobicContact CG1-CE1 4.45Å; I481-Y493 HydrophobicContact CG2-CE1 4.18Å; I481-Y493 HydrophobicContact CG2-CE2 4.22Å
482H44.5Very low46.7Very low122 Ų12281.9 Ų81.957%0.56542%0.421SS*.  trans-84.1134.3176.6-68-60.8000110.2P480 H484 N489P480-H482 PolarHBondContact O-N 2.77Å; P480-H482 VanDerWaalsContact O-N 3.11Å; H482-H484 PolarHBondContact O-N 2.83Å; H482-N489 PolarHBondContact O-ND2 3.02Å; H482-N489 PolarHBondContact O-OD1 2.75Å
483H43.7Very low48.7Very low136 Ų13676.9 Ų76.963%0.6339%0.39SS*.THydrogen-bonded Turntrans-58.1-6.2-177-69.7-73.6000115.8N352N352-H483 PolarHBondContact ND2-ND1 3.26Å
484H41.8Very low50.6Low130 Ų13075.7 Ų75.760%0.60238%0.379SS*.THydrogen-bonded Turntrans-83.5-26.8-166.2-65.6-53.3000114.4N440 H482N440-H484 WeakPolarHBondContact CB-O 3.42Å; N440-H484 PolarHBondContact ND2-O 3.47Å; H482-H484 PolarHBondContact O-N 2.83Å
485N44.7Very low52.7Low40 Ų4074.9 Ų74.921%0.21436%0.36CS..  trans-131.597.1-167.3-153.1-26.6000112.5N440 N487 K488 N489N440-N485 HydrophobicContact CB-CB 4.16Å; N485-N487 PolarHBondContact O-N 3.21Å; N485-K488 HydrophobicContact CB-CB 4.08Å; N485-K488 HydrophobicContact CB-CD 4.27Å; N485-K488 HydrophobicContact CB-CG 4.34Å; N485-K488 PolarHBondContact O-N 3.38Å; N485-N489 WeakPolarHBondContact O-CB 3.46Å; N485-N489 PolarHBondContact O-N 2.92Å; N485-N489 PolarHBondContact O-ND2 3.02Å; N485-N489 PolarHBondContact O-OD1 3.45Å
486E48.2Very low54.7Low53 Ų5372.5 Ų72.525%0.24835%0.35CS..Hα-helixtrans-55.3-49.8-171.1-67.2-171.3162.900113.2Q356 K488 N489 V490Q356-E486 PolarHBondContact NE2-OE1 3.24Å; Q356-E486 VanDerWaalsContact NE2-OE1 3.12Å; E486-K488 PolarHBondContact O-N 2.87Å; E486-N489 WeakPolarHBondContact O-CA 3.44Å; E486-N489 WeakPolarHBondContact O-CB 3.26Å; E486-N489 PolarHBondContact O-N 3.47Å; E486-V490 PolarHBondContact O-N 2.92Å; E486-V490 VanDerWaalsContact O-N 3.15Å
487N47.8Very low56.6Low123 Ų12365.6 Ų65.666%0.65832%0.318SS*.Hα-helixtrans-65.9-35.6179-78.4-17.5000113N485 N489N485-N487 PolarHBondContact O-N 3.21Å; N487-N489 VanDerWaalsContact C-N 3.29Å
488K50.7Low58.1Low123 Ų12363.4 Ų63.454%0.53531%0.308SS..Hα-helixtrans-69.3-31.5172-70.4-173.5178.91760111.1N485 E486 N492N485-K488 HydrophobicContact CB-CB 4.08Å; N485-K488 HydrophobicContact CB-CD 4.27Å; N485-K488 HydrophobicContact CB-CG 4.34Å; N485-K488 PolarHBondContact O-N 3.38Å; E486-K488 PolarHBondContact O-N 2.87Å; K488-N492 WeakPolarHBondContact O-CB 3.49Å; K488-N492 PolarHBondContact O-N 2.95Å; K488-N492 PolarHBondContact O-ND2 3.21Å; K488-N492 VanDerWaalsContact O-ND2 3.1Å
489N57.5Low59.7Low9 Ų963.2 Ų63.25%0.04831%0.308CS..Hα-helixtrans-66.3-43.4-179.8-70.6-19.9000111.5I481 H482 N485 E486 N487 L491 N492 Y493I481-N489 HydrophobicContact CG2-CB 4.19Å; I481-N489 WeakPolarHBondContact CG2-OD1 3.3Å; H482-N489 PolarHBondContact O-ND2 3.02Å; H482-N489 PolarHBondContact O-OD1 2.75Å; N485-N489 WeakPolarHBondContact O-CB 3.46Å; N485-N489 PolarHBondContact O-N 2.92Å; N485-N489 PolarHBondContact O-ND2 3.02Å; N485-N489 PolarHBondContact O-OD1 3.45Å; E486-N489 WeakPolarHBondContact O-CA 3.44Å; E486-N489 WeakPolarHBondContact O-CB 3.26Å; E486-N489 PolarHBondContact O-N 3.47Å; N487-N489 VanDerWaalsContact C-N 3.29Å; N489-L491 PolarHBondContact O-N 2.79Å; N489-N492 CarbonylContact O-C 3.29Å; N489-N492 WeakPolarHBondContact O-CB 3.47Å; N489-N492 PolarHBondContact O-N 3.3Å; N489-Y493 VanDerWaalsContact C-CD2 3.49Å; N489-Y493 HydrophobicContact CB-CD2 4.4Å; N489-Y493 HydrophobicContact CB-CE2 3.9Å; N489-Y493 WeakPolarHBondContact O-CD2 3.27Å; N489-Y493 PolarHBondContact O-N 2.92Å
490V59.4Low61.1Low17 Ų1761.1 Ų61.110%0.10330%0.297CS..Hα-helixtrans-56.4-53.7175.3-175.70000111.3Y226 E230 E486 N492 Y493 Q494Y226-V490 HydrophobicContact CD1-CG1 4.39Å; Y226-V490 HydrophobicContact CE1-CB 4.37Å; Y226-V490 HydrophobicContact CE1-CG1 3.71Å; Y226-V490 HydrophobicContact CE1-CG2 3.92Å; E230-V490 VanDerWaalsContact CD-CG2 3.47Å; E230-V490 WeakPolarHBondContact OE1-CG2 3.47Å; E230-V490 VanDerWaalsContact OE2-CG2 3.26Å; E230-V490 WeakPolarHBondContact OE2-CG2 3.33Å; E486-V490 PolarHBondContact O-N 2.92Å; E486-V490 VanDerWaalsContact O-N 3.15Å; V490-N492 PolarHBondContact O-N 2.9Å; V490-Y493 PolarHBondContact O-N 3.34Å; V490-Y493 VanDerWaalsContact O-N 3.15Å; V490-Q494 WeakPolarHBondContact O-CG 3.46Å; V490-Q494 PolarHBondContact O-N 3.42Å
491L61.7Low62.6Low88 Ų8857.7 Ų57.746%0.46128%0.275SS..Hα-helixtrans-60.5-38.1179.4-171.968.2000110.8N489 Q494 Q495N489-L491 PolarHBondContact O-N 2.79Å; L491-Q494 PolarHBondContact O-N 2.97Å; L491-Q495 VanDerWaalsContact O-CB 3.3Å; L491-Q495 WeakPolarHBondContact O-CB 3.34Å; L491-Q495 WeakPolarHBondContact O-CG 3.36Å; L491-Q495 PolarHBondContact O-N 2.95Å
492N69.1Low64.2Low29 Ų2961.4 Ų61.416%0.15529%0.292CS..Hα-helixtrans-65.8-43.1175.7-73.9-23.3000112.4I481 K488 N489 V490 Q495 N496I481-N492 HydrophobicContact CG1-CB 4.3Å; K488-N492 WeakPolarHBondContact O-CB 3.49Å; K488-N492 PolarHBondContact O-N 2.95Å; K488-N492 PolarHBondContact O-ND2 3.21Å; K488-N492 VanDerWaalsContact O-ND2 3.1Å; N489-N492 CarbonylContact O-C 3.29Å; N489-N492 WeakPolarHBondContact O-CB 3.47Å; N489-N492 PolarHBondContact O-N 3.3Å; V490-N492 PolarHBondContact O-N 2.9Å; N492-Q495 PolarHBondContact O-N 3.5Å; N492-N496 VanDerWaalsContact O-CB 3.28Å; N492-N496 WeakPolarHBondContact O-CB 3.46Å; N492-N496 PolarHBondContact O-N 3.39Å
493Y71.3Confident65.8Low9 Ų956.5 Ų56.54%0.03527%0.269CS..Hα-helixtrans-61-48.1175.5-70.1-64.7000110.5D345 L346 M349 I481 N489 V490 Q495 N496 I497D345-Y493 HydrophobicContact CB-CE1 4.13Å; D345-Y493 WeakPolarHBondContact O-CE1 3.48Å; L346-Y493 HydrophobicContact CD2-CD1 4Å; M349-Y493 HydrophobicContact CB-CE1 3.83Å; M349-Y493 HydrophobicContact CB-CE2 3.94Å; M349-Y493 VanDerWaalsContact CB-CZ 3.5Å; M349-Y493 WeakPolarHBondContact CB-OH 3.38Å; M349-Y493 HydrophobicContact CG-CD2 4Å; M349-Y493 HydrophobicContact CG-CE1 4.23Å; M349-Y493 HydrophobicContact CG-CE2 3.51Å; M349-Y493 HydrophobicContact SD-CD1 4.32Å; M349-Y493 HydrophobicContact SD-CD2 3.75Å; M349-Y493 HydrophobicContact SD-CE1 4.42Å; M349-Y493 HydrophobicContact SD-CE2 3.91Å; M349-Y493 HydrophobicContact SD-CG 4.01Å; I481-Y493 HydrophobicContact CD1-CD1 3.27Å; I481-Y493 HydrophobicContact CD1-CE1 3.16Å; I481-Y493 HydrophobicContact CD1-CG 4.03Å; I481-Y493 HydrophobicContact CG1-CE1 4.45Å; I481-Y493 HydrophobicContact CG2-CE1 4.18Å; I481-Y493 HydrophobicContact CG2-CE2 4.22Å; N489-Y493 VanDerWaalsContact C-CD2 3.49Å; N489-Y493 HydrophobicContact CB-CD2 4.4Å; N489-Y493 HydrophobicContact CB-CE2 3.9Å; N489-Y493 WeakPolarHBondContact O-CD2 3.27Å; N489-Y493 PolarHBondContact O-N 2.92Å; V490-Y493 PolarHBondContact O-N 3.34Å; V490-Y493 VanDerWaalsContact O-N 3.15Å; Y493-Q495 PolarHBondContact O-N 3.17Å; Y493-N496 PolarHBondContact O-N 2.91Å; Y493-I497 VanDerWaalsContact O-CG1 3.25Å; Y493-I497 WeakPolarHBondContact O-CG1 3.28Å; Y493-I497 PolarHBondContact O-N 3.27Å
494Q71.6Confident67.5Low47 Ų4750.1 Ų50.122%0.2224%0.24CC..Hα-helixtrans-59.8-45.4177.4-69.1179.6-54.300112.3Y223 V490 L491 I497 K498Y223-Q494 HydrophobicContact CD2-CG 4.41Å; Y223-Q494 VanDerWaalsContact CD2-NE2 3.31Å; Y223-Q494 HydrophobicContact CE2-CG 4.31Å; Y223-Q494 PolarHBondContact OH-NE2 3.07Å; V490-Q494 WeakPolarHBondContact O-CG 3.46Å; V490-Q494 PolarHBondContact O-N 3.42Å; L491-Q494 PolarHBondContact O-N 2.97Å; Q494-I497 PolarHBondContact O-N 3.35Å; Q494-K498 WeakPolarHBondContact O-CG 3.3Å; Q494-K498 PolarHBondContact O-N 2.76Å
495Q76.3Confident69.2Low71 Ų7147 Ų4733%0.33222%0.224SC..Hα-helixtrans-63-43.2177.2-76176100111.2N479 L491 N492 Y493 K498 K499N479-Q495 PolarHBondContact ND2-OE1 3.35Å; L491-Q495 VanDerWaalsContact O-CB 3.3Å; L491-Q495 WeakPolarHBondContact O-CB 3.34Å; L491-Q495 WeakPolarHBondContact O-CG 3.36Å; L491-Q495 PolarHBondContact O-N 2.95Å; N492-Q495 PolarHBondContact O-N 3.5Å; Y493-Q495 PolarHBondContact O-N 3.17Å; Q495-K498 PolarHBondContact O-N 3.32Å; Q495-K499 WeakPolarHBondContact O-CB 3.33Å; Q495-K499 VanDerWaalsContact O-CG 3.23Å; Q495-K499 WeakPolarHBondContact O-CG 3.28Å; Q495-K499 PolarHBondContact O-N 2.89Å
496N78.5Confident70.7Confident0 Ų048.1 Ų48.10%023%0.23CC..Hα-helixtrans-66.2-38.7178.8-73.9-8.3000111.9L342 W478 N479 N492 Y493 K499 W500L342-N496 HydrophobicContact CD1-CB 4.33Å; W478-N496 HydrophobicContact CH2-CB 3.89Å; W478-N496 HydrophobicContact CZ2-CB 4.03Å; W478-N496 HydrophobicContact CZ3-CB 4.27Å; N479-N496 PolarHBondContact O-ND2 2.83Å; N492-N496 VanDerWaalsContact O-CB 3.28Å; N492-N496 WeakPolarHBondContact O-CB 3.46Å; N492-N496 PolarHBondContact O-N 3.39Å; Y493-N496 PolarHBondContact O-N 2.91Å; N496-K499 PolarHBondContact O-N 3.23Å; N496-W500 VanDerWaalsContact O-CB 3.32Å; N496-W500 WeakPolarHBondContact O-CB 3.06Å; N496-W500 PolarHBondContact O-N 3.44Å
497I79.6Confident71.9Confident4 Ų449.3 Ų49.32%0.02123%0.233CC..Hα-helixtrans-63.2-46.4173.6-67.3168.3000110.8I218 W222 W313 L342 L346 Y493 Q494 W500 L501I218-I497 HydrophobicContact CD1-CG2 3.81Å; I218-I497 HydrophobicContact CG1-CG2 4.47Å; I218-I497 HydrophobicContact CG2-CG2 4.01Å; W222-I497 HydrophobicContact CE3-CD1 4.34Å; W222-I497 HydrophobicContact CH2-CD1 3.77Å; W222-I497 HydrophobicContact CZ2-CD1 4.15Å; W222-I497 HydrophobicContact CZ3-CD1 3.86Å; W313-I497 HydrophobicContact CH2-CD1 3.88Å; W313-I497 HydrophobicContact CH2-CG1 3.98Å; W313-I497 HydrophobicContact CH2-CG2 4.14Å; W313-I497 HydrophobicContact CZ3-CD1 4.42Å; W313-I497 HydrophobicContact CZ3-CG1 4.5Å; W313-I497 HydrophobicContact CZ3-CG2 3.81Å; L342-I497 HydrophobicContact CD1-CG1 3.98Å; L346-I497 HydrophobicContact CD2-CD1 4.19Å; Y493-I497 VanDerWaalsContact O-CG1 3.25Å; Y493-I497 WeakPolarHBondContact O-CG1 3.28Å; Y493-I497 PolarHBondContact O-N 3.27Å; Q494-I497 PolarHBondContact O-N 3.35Å; I497-W500 PolarHBondContact O-N 3.36Å; I497-L501 HydrophobicContact CG2-CD1 4.5Å; I497-L501 PolarHBondContact O-N 3.41Å
498K79.8Confident73.1Confident139 Ų13943.5 Ų43.560%0.60420%0.201SC*.Hα-helixtrans-61.6-46.2176.9-76.3-177.1179-1770111.9Q494 Q495 W500 L501 E502Q494-K498 WeakPolarHBondContact O-CG 3.3Å; Q494-K498 PolarHBondContact O-N 2.76Å; Q495-K498 PolarHBondContact O-N 3.32Å; K498-W500 VanDerWaalsContact C-N 3.3Å; K498-W500 PolarHBondContact O-N 3.47Å; K498-L501 PolarHBondContact O-N 2.88Å; K498-E502 PolarHBondContact O-N 2.69Å
499K78.3Confident74.2Confident35 Ų3540.7 Ų40.715%0.15219%0.19CC..Hα-helixtrans-58.7-42.1175.7-75.9178177.3-168.10111.5F475 E476 Q495 N496 L503F475-K499 HydrophobicContact CE1-CB 4.31Å; F475-K499 HydrophobicContact CZ-CB 4.01Å; E476-K499 IonicContact OE2-NZ 2.7Å; Q495-K499 WeakPolarHBondContact O-CB 3.33Å; Q495-K499 VanDerWaalsContact O-CG 3.23Å; Q495-K499 WeakPolarHBondContact O-CG 3.28Å; Q495-K499 PolarHBondContact O-N 2.89Å; N496-K499 PolarHBondContact O-N 3.23Å; K499-L503 VanDerWaalsContact O-CB 3.31Å; K499-L503 WeakPolarHBondContact O-CB 3.4Å; K499-L503 PolarHBondContact O-N 2.76Å
500W84.3Confident74.7Confident1 Ų142.4 Ų42.40%0.00420%0.201CC..Hα-helixtrans-63.9-47.2176.2176.579.4000112I214 F314 F317 T339 L342 N496 I497 K498 E502 L503 M504I214-W500 HydrophobicContact CG2-CZ3 4.41Å; F314-W500 HydrophobicContact CE1-CZ2 4.44Å; F317-W500 HydrophobicContact CB-CH2 4.23Å; F317-W500 HydrophobicContact CD1-CH2 4.37Å; F317-W500 AromaticContact CD1-CZ2 3.96Å; F317-W500 HydrophobicContact CD1-CZ2 3.96Å; F317-W500 AromaticContact CD2-CH2 3.65Å; F317-W500 HydrophobicContact CD2-CH2 3.65Å; F317-W500 AromaticContact CD2-CZ2 3.73Å; F317-W500 HydrophobicContact CD2-CZ2 3.73Å; F317-W500 AromaticContact CE1-CZ2 3.97Å; F317-W500 HydrophobicContact CE1-CZ2 3.97Å; F317-W500 HydrophobicContact CE2-CH2 4.08Å; F317-W500 AromaticContact CE2-CZ2 3.74Å; F317-W500 HydrophobicContact CE2-CZ2 3.74Å; F317-W500 AromaticContact CG-CH2 3.81Å; F317-W500 HydrophobicContact CG-CH2 3.81Å; F317-W500 AromaticContact CG-CZ2 3.83Å; F317-W500 HydrophobicContact CG-CZ2 3.83Å; F317-W500 AromaticContact CZ-CZ2 3.85Å; F317-W500 HydrophobicContact CZ-CZ2 3.85Å; T339-W500 HydrophobicContact CG2-CZ2 4.27Å; T339-W500 PolarHBondContact OG1-NE1 3.02Å; L342-W500 HydrophobicContact CD2-CB 3.82Å; L342-W500 HydrophobicContact CD2-CD2 3.76Å; L342-W500 HydrophobicContact CD2-CE3 4.16Å; L342-W500 HydrophobicContact CD2-CG 3.59Å; N496-W500 VanDerWaalsContact O-CB 3.32Å; N496-W500 WeakPolarHBondContact O-CB 3.06Å; N496-W500 PolarHBondContact O-N 3.44Å; I497-W500 PolarHBondContact O-N 3.36Å; K498-W500 VanDerWaalsContact C-N 3.3Å; K498-W500 PolarHBondContact O-N 3.47Å; W500-E502 VanDerWaalsContact C-N 3.33Å; W500-E502 PolarHBondContact O-N 3.24Å; W500-L503 WeakPolarHBondContact O-CB 3.23Å; W500-L503 PolarHBondContact O-N 2.89Å; W500-M504 HydrophobicContact CD2-CG 4.1Å; W500-M504 HydrophobicContact CH2-CG 4.36Å; W500-M504 HydrophobicContact CZ2-CG 3.86Å; W500-M504 HydrophobicContact CZ2-SD 4.41Å; W500-M504 VanDerWaalsContact O-CG 3.32Å; W500-M504 WeakPolarHBondContact O-CG 3.33Å; W500-M504 PolarHBondContact O-N 3.47Å
501L79.4Confident75.1Confident8 Ų841.8 Ų41.84%0.04220%0.197CC..Hα-helixtrans-57.5-45176.4-80.2172.6000112.3L211 I214 D215 I218 I497 K498 M504 K505L211-L501 HydrophobicContact CD2-CD2 4.48Å; I214-L501 HydrophobicContact CG2-CD2 4.04Å; D215-L501 HydrophobicContact CB-CD1 4.47Å; I218-L501 HydrophobicContact CD1-CD1 3.67Å; I218-L501 HydrophobicContact CD1-CD2 4.24Å; I218-L501 HydrophobicContact CD1-CG 4.19Å; I497-L501 HydrophobicContact CG2-CD1 4.5Å; I497-L501 PolarHBondContact O-N 3.41Å; K498-L501 PolarHBondContact O-N 2.88Å; L501-M504 PolarHBondContact O-N 3.43Å; L501-K505 WeakPolarHBondContact O-CG 3.31Å; L501-K505 PolarHBondContact O-N 3.34Å
502E79.4Confident75.4Confident106 Ų10639.3 Ų39.350%0.49518%0.182SC..Hα-helixtrans-65.1-42.6179.4-167-178.7171.200111.8K498 W500 M504 K505 N506K498-E502 PolarHBondContact O-N 2.69Å; W500-E502 VanDerWaalsContact C-N 3.33Å; W500-E502 PolarHBondContact O-N 3.24Å; E502-M504 VanDerWaalsContact C-N 3.34Å; E502-M504 PolarHBondContact O-N 2.86Å; E502-K505 PolarHBondContact O-N 3.13Å; E502-N506 WeakPolarHBondContact O-CB 3.44Å; E502-N506 PolarHBondContact O-N 2.89Å; E502-N506 PolarHBondContact O-ND2 3.15Å
503L78.3Confident75.4Confident19 Ų1941.5 Ų41.510%0.09919%0.191CC..Hα-helixtrans-57.6-45.7173178.6128.5000111.7Y334 E335 I338 F475 K499 W500 N506 R507Y334-L503 HydrophobicContact CD1-CD1 4.25Å; Y334-L503 HydrophobicContact CE1-CD1 4.13Å; E335-L503 HydrophobicContact CB-CD2 3.93Å; E335-L503 HydrophobicContact CG-CD1 4.43Å; E335-L503 HydrophobicContact CG-CD2 3.63Å; E335-L503 HydrophobicContact CG-CG 4.21Å; I338-L503 HydrophobicContact CD1-CD1 3.69Å; F475-L503 HydrophobicContact CD2-CD1 3.87Å; F475-L503 HydrophobicContact CE1-CD1 4.37Å; F475-L503 HydrophobicContact CE2-CB 3.75Å; F475-L503 HydrophobicContact CE2-CD1 3.28Å; F475-L503 HydrophobicContact CE2-CG 4.11Å; F475-L503 HydrophobicContact CZ-CB 3.95Å; F475-L503 HydrophobicContact CZ-CD1 3.55Å; F475-L503 HydrophobicContact CZ-CG 4.37Å; K499-L503 VanDerWaalsContact O-CB 3.31Å; K499-L503 WeakPolarHBondContact O-CB 3.4Å; K499-L503 PolarHBondContact O-N 2.76Å; W500-L503 WeakPolarHBondContact O-CB 3.23Å; W500-L503 PolarHBondContact O-N 2.89Å; L503-N506 PolarHBondContact O-N 3.16Å; L503-R507 WeakPolarHBondContact O-CB 3.49Å; L503-R507 PolarHBondContact O-N 3.01Å
504M79Confident75.2Confident1 Ų145.7 Ų45.71%0.00521%0.212CC..Hα-helixtrans-65.1-43.4178.2-61.4-41.5-50.600112.1L211 F317 L326 W500 L501 E502 R507 I508L211-M504 HydrophobicContact CD1-CB 4.18Å; L211-M504 HydrophobicContact CD2-CB 4.18Å; F317-M504 HydrophobicContact CE2-CB 4.44Å; F317-M504 HydrophobicContact CE2-CE 3.56Å; F317-M504 HydrophobicContact CE2-CG 3.82Å; F317-M504 HydrophobicContact CE2-SD 4.07Å; F317-M504 HydrophobicContact CZ-CE 3.38Å; F317-M504 HydrophobicContact CZ-CG 4.23Å; F317-M504 HydrophobicContact CZ-SD 3.88Å; L326-M504 HydrophobicContact CB-CE 4.43Å; L326-M504 HydrophobicContact CD1-CE 3.27Å; L326-M504 HydrophobicContact CD2-CE 3.45Å; L326-M504 VanDerWaalsContact CD2-CE 3.45Å; L326-M504 HydrophobicContact CG-CE 3.86Å; W500-M504 HydrophobicContact CD2-CG 4.1Å; W500-M504 HydrophobicContact CH2-CG 4.36Å; W500-M504 HydrophobicContact CZ2-CG 3.86Å; W500-M504 HydrophobicContact CZ2-SD 4.41Å; W500-M504 VanDerWaalsContact O-CG 3.32Å; W500-M504 WeakPolarHBondContact O-CG 3.33Å; W500-M504 PolarHBondContact O-N 3.47Å; L501-M504 PolarHBondContact O-N 3.43Å; E502-M504 VanDerWaalsContact C-N 3.34Å; E502-M504 PolarHBondContact O-N 2.86Å; M504-R507 PolarHBondContact O-N 3.4Å; M504-I508 PolarHBondContact O-N 2.96Å
505K78.1Confident75Confident65 Ų6545.2 Ų45.228%0.28321%0.208SC..Hα-helixtrans-58.5-49.6176.2-73.8178.3-1771750111.1L211 D215 L501 E502 R507 I508 E509L211-K505 HydrophobicContact CD1-CB 4.45Å; L211-K505 HydrophobicContact CD1-CG 3.69Å; D215-K505 IonicContact OD2-NZ 2.66Å; D215-K505 PolarHBondContact OD2-NZ 3.08Å; L501-K505 WeakPolarHBondContact O-CG 3.31Å; L501-K505 PolarHBondContact O-N 3.34Å; E502-K505 PolarHBondContact O-N 3.13Å; K505-R507 VanDerWaalsContact C-N 3.29Å; K505-R507 PolarHBondContact O-N 2.81Å; K505-I508 PolarHBondContact O-N 3.39Å; K505-E509 PolarHBondContact O-N 3.47Å; K505-E509 VanDerWaalsContact O-N 3.15Å
506N77.3Confident74.4Confident63 Ų6342.9 Ų42.934%0.33720%0.198SC..Hα-helixtrans-62.1-36.4178.7-73.3-23.4000112.4E502 L503 E509 T510E502-N506 WeakPolarHBondContact O-CB 3.44Å; E502-N506 PolarHBondContact O-N 2.89Å; E502-N506 PolarHBondContact O-ND2 3.15Å; L503-N506 PolarHBondContact O-N 3.16Å; N506-E509 PolarHBondContact O-N 3.07Å; N506-T510 PolarHBondContact O-N 3.41Å; N506-T510 PolarHBondContact O-OG1 3.37Å
507R73.5Confident73.8Confident79 Ų7947 Ų4730%0.29822%0.216SC..Hα-helixtrans-69.9-42179.1-174.856.11781770.2112.4L326 E335 L503 M504 K505 E509 T510 I511L326-R507 HydrophobicContact CD2-CB 4.27Å; L326-R507 HydrophobicContact CD2-CG 3.38Å; E335-R507 WeakPolarHBondContact OE1-CD 3.33Å; E335-R507 IonicContact OE1-CZ 2.77Å; E335-R507 IonicContact OE1-NE 3Å; E335-R507 PolarHBondContact OE1-NE 3.11Å; L503-R507 WeakPolarHBondContact O-CB 3.49Å; L503-R507 PolarHBondContact O-N 3.01Å; M504-R507 PolarHBondContact O-N 3.4Å; K505-R507 VanDerWaalsContact C-N 3.29Å; K505-R507 PolarHBondContact O-N 2.81Å; R507-E509 VanDerWaalsContact C-N 3.28Å; R507-E509 PolarHBondContact O-N 2.92Å; R507-T510 PolarHBondContact O-N 3.04Å; R507-T510 VanDerWaalsContact O-N 3.16Å; R507-I511 HydrophobicContact CG-CD1 4.05Å; R507-I511 WeakPolarHBondContact O-CG1 3.36Å; R507-I511 PolarHBondContact O-N 3.42Å
508I71.4Confident73.1Confident0 Ų052 Ų520%024%0.239CC..Hα-helixtrans-58.4-43.2173.3-75.5154.8000110.6D207 L211 M504 K505 T510 I511 Y512D207-I508 HydrophobicContact CB-CD1 3.8Å; D207-I508 HydrophobicContact CB-CG1 4.27Å; D207-I508 HydrophobicContact CB-CG2 4.28Å; L211-I508 HydrophobicContact CD1-CD1 3.3Å; L211-I508 HydrophobicContact CG-CD1 4.11Å; M504-I508 PolarHBondContact O-N 2.96Å; K505-I508 PolarHBondContact O-N 3.39Å; I508-T510 VanDerWaalsContact C-N 3.32Å; I508-T510 PolarHBondContact O-N 3.24Å; I508-I511 PolarHBondContact O-N 3.04Å; I508-Y512 VanDerWaalsContact O-CB 3.29Å; I508-Y512 WeakPolarHBondContact O-CB 2.84Å; I508-Y512 PolarHBondContact O-N 3Å
509E73.9Confident72.2Confident65 Ų6546 Ų4630%0.30421%0.214SC..Hα-helixtrans-60.8-42.6176.2-16661.3-150.300111.9K204 K505 N506 R507 Y512 E513K204-E509 WeakPolarHBondContact CE-OE2 3.4Å; K204-E509 IonicContact NZ-OE1 3.46Å; K204-E509 PolarHBondContact NZ-OE1 3.31Å; K204-E509 IonicContact NZ-OE2 3.62Å; K204-E509 PolarHBondContact NZ-OE2 2.95Å; K505-E509 PolarHBondContact O-N 3.47Å; K505-E509 VanDerWaalsContact O-N 3.15Å; N506-E509 PolarHBondContact O-N 3.07Å; R507-E509 VanDerWaalsContact C-N 3.28Å; R507-E509 PolarHBondContact O-N 2.92Å; E509-Y512 WeakPolarHBondContact O-CB 3.06Å; E509-Y512 PolarHBondContact O-N 2.9Å; E509-E513 PolarHBondContact O-N 3.08Å
510T69.1Low71.4Confident45 Ų4546.1 Ų46.128%0.27622%0.217SC..Hα-helixtrans-65.6-42.6179.5-49.20000111.7N506 R507 I508 E513 M514N506-T510 PolarHBondContact O-N 3.41Å; N506-T510 PolarHBondContact O-OG1 3.37Å; R507-T510 PolarHBondContact O-N 3.04Å; R507-T510 VanDerWaalsContact O-N 3.16Å; I508-T510 VanDerWaalsContact C-N 3.32Å; I508-T510 PolarHBondContact O-N 3.24Å; T510-E513 PolarHBondContact O-N 2.67Å; T510-M514 HydrophobicContact CG2-CE 4.45Å; T510-M514 WeakPolarHBondContact O-CG 3.06Å; T510-M514 PolarHBondContact O-N 2.85Å
511I67.4Low70.3Confident3 Ų352 Ų522%0.01524%0.241CC..Hα-helixtrans-65.4-43.2177.5-65165.6000110.7H322 E325 L326 R507 I508 E513 M514 R515H322-I511 HydrophobicContact CB-CD1 4.18Å; H322-I511 WeakPolarHBondContact CD2-CG2 3.4Å; E325-I511 WeakPolarHBondContact OE2-CG2 3.45Å; L326-I511 HydrophobicContact CD2-CD1 4.45Å; R507-I511 HydrophobicContact CG-CD1 4.05Å; R507-I511 WeakPolarHBondContact O-CG1 3.36Å; R507-I511 PolarHBondContact O-N 3.42Å; I508-I511 PolarHBondContact O-N 3.04Å; I511-E513 PolarHBondContact O-N 3.03Å; I511-M514 HydrophobicContact CG1-CE 4.15Å; I511-M514 PolarHBondContact O-N 3.41Å; I511-R515 HydrophobicContact CG2-CG 4.36Å; I511-R515 WeakPolarHBondContact O-CG 3.47Å; I511-R515 PolarHBondContact O-N 2.91Å
512Y68.9Low69.3Low37 Ų3753.9 Ų53.915%0.14525%0.249CC..Hα-helixtrans-54.4-50.7173.7164.9-96.5000111.8I200 D201 K204 I508 E509 M514 R515 N516I200-Y512 HydrophobicContact CG2-CD2 3.28Å; I200-Y512 HydrophobicContact CG2-CE2 3.57Å; I200-Y512 HydrophobicContact CG2-CG 4.29Å; D201-Y512 WeakPolarHBondContact OD1-CE2 3.22Å; D201-Y512 PolarHBondContact OD1-OH 3.02Å; D201-Y512 VanDerWaalsContact OD1-OH 3.07Å; K204-Y512 HydrophobicContact CB-CD2 3.79Å; K204-Y512 HydrophobicContact CB-CE2 4.34Å; K204-Y512 HydrophobicContact CB-CG 4.41Å; K204-Y512 HydrophobicContact CD-CD1 3.94Å; K204-Y512 HydrophobicContact CD-CD2 3.57Å; K204-Y512 HydrophobicContact CD-CE1 4.15Å; K204-Y512 HydrophobicContact CD-CE2 3.81Å; K204-Y512 HydrophobicContact CD-CG 3.66Å; K204-Y512 HydrophobicContact CG-CD2 4.24Å; K204-Y512 HydrophobicContact CG-CG 4.48Å; I508-Y512 VanDerWaalsContact O-CB 3.29Å; I508-Y512 WeakPolarHBondContact O-CB 2.84Å; I508-Y512 PolarHBondContact O-N 3Å; E509-Y512 WeakPolarHBondContact O-CB 3.06Å; E509-Y512 PolarHBondContact O-N 2.9Å; Y512-M514 VanDerWaalsContact C-N 3.35Å; Y512-M514 PolarHBondContact O-N 2.89Å; Y512-R515 PolarHBondContact O-N 3.39Å; Y512-N516 WeakPolarHBondContact CE2-ND2 3.49Å; Y512-N516 PolarHBondContact O-N 2.92Å; Y512-N516 PolarHBondContact OH-ND2 2.96Å; Y512-N516 VanDerWaalsContact OH-ND2 3.08Å
513E68.4Low68.4Low75 Ų7549.9 Ų49.935%0.3523%0.231SC..Hα-helixtrans-60.4-42.8177.5-78.6-165.7-169.600112.7E509 T510 I511 K517E509-E513 PolarHBondContact O-N 3.08Å; T510-E513 PolarHBondContact O-N 2.67Å; I511-E513 PolarHBondContact O-N 3.03Å; E513-K517 WeakPolarHBondContact O-CB 3.46Å; E513-K517 VanDerWaalsContact O-CG 3.3Å; E513-K517 WeakPolarHBondContact O-CG 3.16Å; E513-K517 PolarHBondContact O-N 3.28Å; E513-K517 IonicContact OE2-NZ 2.87Å; E513-K517 PolarHBondContact OE2-NZ 3.29Å
514M66.3Low67.4Low97 Ų9749.1 Ų49.148%0.47823%0.227SC..Hα-helixtrans-63.1-46179.9-74.1-170.9-60.300111.4T510 I511 Y512 K517 Q518T510-M514 HydrophobicContact CG2-CE 4.45Å; T510-M514 WeakPolarHBondContact O-CG 3.06Å; T510-M514 PolarHBondContact O-N 2.85Å; I511-M514 HydrophobicContact CG1-CE 4.15Å; I511-M514 PolarHBondContact O-N 3.41Å; Y512-M514 VanDerWaalsContact C-N 3.35Å; Y512-M514 PolarHBondContact O-N 2.89Å; M514-K517 PolarHBondContact O-N 3.19Å; M514-Q518 WeakPolarHBondContact O-CB 3.32Å; M514-Q518 PolarHBondContact O-N 3.43Å
515R67Low66.5Low36 Ų3650.9 Ų50.914%0.13624%0.238CC..Hα-helixtrans-64.7-42.4179-71.6-177.6175.5175.12.1112I200 H322 E325 I511 Y512 K517 Q518 I519I200-R515 HydrophobicContact CD1-CB 3.61Å; I200-R515 HydrophobicContact CG1-CB 4.17Å; H322-R515 PolarHBondContact NE2-NH1 2.93Å; H322-R515 VanDerWaalsContact NE2-NH1 3.1Å; E325-R515 VanDerWaalsContact CD-NH2 3.26Å; E325-R515 IonicContact OE1-CZ 3.95Å; E325-R515 IonicContact OE1-NE 2.64Å; E325-R515 IonicContact OE1-NH2 2.6Å; E325-R515 PolarHBondContact OE1-NH2 3.34Å; E325-R515 IonicContact OE2-NH2 2.7Å; E325-R515 PolarHBondContact OE2-NH2 2.64Å; I511-R515 HydrophobicContact CG2-CG 4.36Å; I511-R515 WeakPolarHBondContact O-CG 3.47Å; I511-R515 PolarHBondContact O-N 2.91Å; Y512-R515 PolarHBondContact O-N 3.39Å; R515-K517 VanDerWaalsContact C-N 3.33Å; R515-K517 PolarHBondContact O-N 3.31Å; R515-Q518 PolarHBondContact O-N 3.49Å; R515-I519 PolarHBondContact O-N 2.84Å
516N65.8Low65.5Low22 Ų2248.1 Ų48.112%0.11823%0.226CC..Hα-helixtrans-62.1-40.9175.9-88.3-21.5000112.2I200 Y512 T520I200-N516 WeakPolarHBondContact CD1-OD1 3.35Å; Y512-N516 WeakPolarHBondContact CE2-ND2 3.49Å; Y512-N516 PolarHBondContact O-N 2.92Å; Y512-N516 PolarHBondContact OH-ND2 2.96Å; Y512-N516 VanDerWaalsContact OH-ND2 3.08Å; N516-T520 WeakPolarHBondContact O-CB 3.43Å; N516-T520 PolarHBondContact O-N 2.95Å; N516-T520 VanDerWaalsContact O-N 3.09Å; N516-T520 PolarHBondContact O-OG1 3.37Å
517K65.6Low64.4Low86 Ų8645.3 Ų45.337%0.37421%0.21SC..Hα-helixtrans-64.7-40.5174.1-74.3167.2-175.7155.80111.6E513 M514 R515 T520 Y521E513-K517 WeakPolarHBondContact O-CB 3.46Å; E513-K517 VanDerWaalsContact O-CG 3.3Å; E513-K517 WeakPolarHBondContact O-CG 3.16Å; E513-K517 PolarHBondContact O-N 3.28Å; E513-K517 IonicContact OE2-NZ 2.87Å; E513-K517 PolarHBondContact OE2-NZ 3.29Å; M514-K517 PolarHBondContact O-N 3.19Å; R515-K517 VanDerWaalsContact C-N 3.33Å; R515-K517 PolarHBondContact O-N 3.31Å; K517-T520 PolarHBondContact O-N 3.25Å; K517-Y521 WeakPolarHBondContact O-CB 3.3Å; K517-Y521 PolarHBondContact O-N 3.28Å
518Q64.9Low63.7Low109 Ų10943.9 Ų43.951%0.50921%0.207SC..Hα-helixtrans-62.8-50.6177.4-177.8177.9-8.100112M514 R515 T520 Y521 E522M514-Q518 WeakPolarHBondContact O-CB 3.32Å; M514-Q518 PolarHBondContact O-N 3.43Å; R515-Q518 PolarHBondContact O-N 3.49Å; Q518-T520 VanDerWaalsContact C-N 3.27Å; Q518-T520 PolarHBondContact O-N 3.38Å; Q518-Y521 PolarHBondContact O-N 2.92Å; Q518-Y521 VanDerWaalsContact O-N 3.13Å; Q518-E522 HydrophobicContact CG-CG 4.46Å; Q518-E522 WeakPolarHBondContact CG-OE1 3.23Å; Q518-E522 PolarHBondContact NE2-OE1 3.47Å; Q518-E522 WeakPolarHBondContact O-CG 3.35Å; Q518-E522 PolarHBondContact O-N 3.07Å
519I60.8Low63Low14 Ų1446.7 Ų46.77%0.07222%0.22CC..Hα-helixtrans-56.8-45.6176.3-68.2-170000110.3I200 R515 Y521 E522 Q523 L560I200-I519 HydrophobicContact CD1-CD1 3.33Å; I200-I519 HydrophobicContact CD1-CG1 4.04Å; I200-I519 HydrophobicContact CG1-CD1 4.26Å; R515-I519 PolarHBondContact O-N 2.84Å; I519-Y521 VanDerWaalsContact C-N 3.35Å; I519-Y521 PolarHBondContact O-N 2.7Å; I519-E522 PolarHBondContact O-N 2.85Å; I519-Q523 HydrophobicContact CG2-CG 4.43Å; I519-Q523 VanDerWaalsContact O-CG 3.31Å; I519-Q523 WeakPolarHBondContact O-CG 3.46Å; I519-Q523 PolarHBondContact O-N 2.89Å; I519-L560 HydrophobicContact CD1-CD2 4.05Å
520T60.6Low61.9Low37 Ų3744.9 Ų44.923%0.22721%0.213CC..Hα-helixtrans-60.2-45.4178.6-53.50000111.1K146 N516 K517 Q518 Q523 I524K146-T520 HydrophobicContact CG-CG2 4.06Å; N516-T520 WeakPolarHBondContact O-CB 3.43Å; N516-T520 PolarHBondContact O-N 2.95Å; N516-T520 VanDerWaalsContact O-N 3.09Å; N516-T520 PolarHBondContact O-OG1 3.37Å; K517-T520 PolarHBondContact O-N 3.25Å; Q518-T520 VanDerWaalsContact C-N 3.27Å; Q518-T520 PolarHBondContact O-N 3.38Å; T520-Q523 PolarHBondContact O-N 2.64Å; T520-I524 HydrophobicContact CG2-CD1 3.88Å; T520-I524 WeakPolarHBondContact O-CD1 3.18Å; T520-I524 WeakPolarHBondContact O-CG1 3.17Å; T520-I524 PolarHBondContact O-N 3Å
521Y60.4Low60.9Low125 Ų12543.6 Ų43.649%0.4920%0.204SC..Hα-helixtrans-64.1-41.6178.8179.8-97.4000112.8K517 Q518 I519 I524 T525K517-Y521 WeakPolarHBondContact O-CB 3.3Å; K517-Y521 PolarHBondContact O-N 3.28Å; Q518-Y521 PolarHBondContact O-N 2.92Å; Q518-Y521 VanDerWaalsContact O-N 3.13Å; I519-Y521 VanDerWaalsContact C-N 3.35Å; I519-Y521 PolarHBondContact O-N 2.7Å; Y521-I524 PolarHBondContact O-N 3.47Å; Y521-T525 WeakPolarHBondContact O-CB 3.32Å; Y521-T525 PolarHBondContact O-N 2.99Å; Y521-T525 PolarHBondContact O-OG1 2.96Å
522E59.8Low60Low48 Ų4851.1 Ų51.122%0.22423%0.232CC..Hα-helixtrans-63.8-43.5176.1-72.4172.9-171.100111.1Q518 I519 I524 T525 I526 L556Q518-E522 HydrophobicContact CG-CG 4.46Å; Q518-E522 WeakPolarHBondContact CG-OE1 3.23Å; Q518-E522 PolarHBondContact NE2-OE1 3.47Å; Q518-E522 WeakPolarHBondContact O-CG 3.35Å; Q518-E522 PolarHBondContact O-N 3.07Å; I519-E522 PolarHBondContact O-N 2.85Å; E522-I524 PolarHBondContact O-N 3.36Å; E522-T525 PolarHBondContact O-N 3.28Å; E522-I526 WeakPolarHBondContact O-CG1 3.44Å; E522-I526 PolarHBondContact O-N 3.37Å; E522-L556 HydrophobicContact CB-CD1 4.07Å; E522-L556 WeakPolarHBondContact OE2-CD1 3.41Å
523Q59.3Low58.8Low22 Ų2252.5 Ų52.510%0.10324%0.24CC..Hα-helixtrans-59.4-45.7173.5-71.7-173.9-67.100112.4Y149 I189 I519 T520 T525 I526 I527Y149-Q523 HydrophobicContact CE2-CB 4.22Å; I189-Q523 PolarHBondContact O-NE2 3.48Å; I519-Q523 HydrophobicContact CG2-CG 4.43Å; I519-Q523 VanDerWaalsContact O-CG 3.31Å; I519-Q523 WeakPolarHBondContact O-CG 3.46Å; I519-Q523 PolarHBondContact O-N 2.89Å; T520-Q523 PolarHBondContact O-N 2.64Å; Q523-T525 VanDerWaalsContact C-N 3.32Å; Q523-T525 PolarHBondContact O-N 3.13Å; Q523-I526 PolarHBondContact O-N 2.75Å; Q523-I527 WeakPolarHBondContact O-CG1 3.44Å; Q523-I527 PolarHBondContact O-N 2.82Å
524I58.5Low57.6Low3 Ų353.3 Ų53.32%0.01525%0.245CC..Hα-helixtrans-60.1-45.8177.5-67.9167.3000110.2M145 K146 Y149 T520 Y521 E522 I527 Q528M145-I524 HydrophobicContact CB-CD1 4.13Å; M145-I524 HydrophobicContact CB-CG2 4.35Å; K146-I524 HydrophobicContact CG-CD1 4.35Å; Y149-I524 HydrophobicContact CD2-CB 4.42Å; Y149-I524 HydrophobicContact CD2-CG1 3.79Å; Y149-I524 HydrophobicContact CG-CG1 3.93Å; T520-I524 HydrophobicContact CG2-CD1 3.88Å; T520-I524 WeakPolarHBondContact O-CD1 3.18Å; T520-I524 WeakPolarHBondContact O-CG1 3.17Å; T520-I524 PolarHBondContact O-N 3Å; Y521-I524 PolarHBondContact O-N 3.47Å; E522-I524 PolarHBondContact O-N 3.36Å; I524-I527 PolarHBondContact O-N 3.43Å; I524-Q528 HydrophobicContact CG2-CG 4.2Å; I524-Q528 WeakPolarHBondContact O-CB 3.27Å; I524-Q528 VanDerWaalsContact O-CG 3.28Å; I524-Q528 WeakPolarHBondContact O-CG 3.43Å; I524-Q528 PolarHBondContact O-N 2.83Å
525T59.8Low56.3Low38 Ų3855.9 Ų55.923%0.23325%0.249CC..Hα-helixtrans-63.2-45-178-58.90000111.3Y521 E522 Q523 Q528 Q529Y521-T525 WeakPolarHBondContact O-CB 3.32Å; Y521-T525 PolarHBondContact O-N 2.99Å; Y521-T525 PolarHBondContact O-OG1 2.96Å; E522-T525 PolarHBondContact O-N 3.28Å; Q523-T525 VanDerWaalsContact C-N 3.32Å; Q523-T525 PolarHBondContact O-N 3.13Å; T525-Q528 PolarHBondContact O-N 3.31Å; T525-Q529 WeakPolarHBondContact O-CB 3.37Å; T525-Q529 VanDerWaalsContact O-CG 3.28Å; T525-Q529 WeakPolarHBondContact O-CG 3.48Å; T525-Q529 PolarHBondContact O-N 2.94Å
526I56.2Low54.8Low7 Ų758.2 Ų58.24%0.03626%0.264CS..Hα-helixtrans-62.5-45.5178-68.1164.5000110.8I189 E522 Q523 Q529 L530 L556I189-I526 HydrophobicContact CD1-CG2 3.62Å; I189-I526 HydrophobicContact CG1-CG2 4.33Å; E522-I526 WeakPolarHBondContact O-CG1 3.44Å; E522-I526 PolarHBondContact O-N 3.37Å; Q523-I526 PolarHBondContact O-N 2.75Å; I526-Q529 PolarHBondContact O-N 2.86Å; I526-L530 HydrophobicContact CG2-CD1 4.04Å; I526-L530 WeakPolarHBondContact O-CG 3.11Å; I526-L530 PolarHBondContact O-N 3.46Å; I526-L556 HydrophobicContact CD1-CB 3.96Å; I526-L556 HydrophobicContact CD1-CD2 3.57Å; I526-L556 HydrophobicContact CD1-CG 4.28Å
527I54.9Low53.4Low3 Ų361.7 Ų61.72%0.01528%0.283CS..Hα-helixtrans-67-41.1178.2-65.2-162.6000111.6Y149 N153 I189 Q523 I524 Q529 L530 N531Y149-I527 HydrophobicContact CD2-CB 4.4Å; Y149-I527 HydrophobicContact CD2-CD1 3.91Å; Y149-I527 HydrophobicContact CD2-CG1 4.43Å; Y149-I527 HydrophobicContact CE2-CB 4.39Å; Y149-I527 HydrophobicContact CE2-CD1 3.23Å; Y149-I527 HydrophobicContact CE2-CG1 3.94Å; N153-I527 HydrophobicContact CB-CD1 4.47Å; I189-I527 HydrophobicContact CG2-CG1 4.45Å; Q523-I527 WeakPolarHBondContact O-CG1 3.44Å; Q523-I527 PolarHBondContact O-N 2.82Å; I524-I527 PolarHBondContact O-N 3.43Å; I527-Q529 VanDerWaalsContact C-N 3.29Å; I527-Q529 PolarHBondContact O-N 2.86Å; I527-L530 PolarHBondContact O-N 2.75Å; I527-N531 WeakPolarHBondContact O-CB 3.34Å; I527-N531 PolarHBondContact O-N 2.74Å
528Q58.6Low52Low49 Ų4964.4 Ų64.423%0.22930%0.297CS..Hα-helixtrans-62.2-38.8175.9-76.5-178.4-2.800111.7I524 T525 N531 R532I524-Q528 HydrophobicContact CG2-CG 4.2Å; I524-Q528 WeakPolarHBondContact O-CB 3.27Å; I524-Q528 VanDerWaalsContact O-CG 3.28Å; I524-Q528 WeakPolarHBondContact O-CG 3.43Å; I524-Q528 PolarHBondContact O-N 2.83Å; T525-Q528 PolarHBondContact O-N 3.31Å; Q528-N531 PolarHBondContact O-N 3.39Å; Q528-R532 WeakPolarHBondContact O-CB 3.28Å; Q528-R532 VanDerWaalsContact O-CG 3.29Å; Q528-R532 WeakPolarHBondContact O-CG 3.38Å; Q528-R532 PolarHBondContact O-N 3.47Å
529Q57.1Low50.6Low59 Ų5966.2 Ų66.228%0.27631%0.305SS..Hα-helixtrans-63.9-46173.7-74.9176.8-1.500111.6T525 I526 I527 N531 R532 Q533 I549 S552T525-Q529 WeakPolarHBondContact O-CB 3.37Å; T525-Q529 VanDerWaalsContact O-CG 3.28Å; T525-Q529 WeakPolarHBondContact O-CG 3.48Å; T525-Q529 PolarHBondContact O-N 2.94Å; I526-Q529 PolarHBondContact O-N 2.86Å; I527-Q529 VanDerWaalsContact C-N 3.29Å; I527-Q529 PolarHBondContact O-N 2.86Å; Q529-N531 VanDerWaalsContact C-N 3.34Å; Q529-N531 PolarHBondContact O-N 2.93Å; Q529-R532 PolarHBondContact O-N 2.93Å; Q529-Q533 WeakPolarHBondContact O-CG 3.47Å; Q529-Q533 PolarHBondContact O-N 3.44Å; Q529-I549 HydrophobicContact CB-CD1 4.44Å; Q529-S552 PolarHBondContact OE1-OG 3.03Å
530L50.3Low49.3Very low28 Ų2873.5 Ų73.515%0.14735%0.345CS..Hα-helixtrans-58-45.2174.8-74.2165.2000111.8L185 I189 I526 I527 Q533 M534 I549L185-L530 HydrophobicContact CD2-CD1 3.66Å; L185-L530 HydrophobicContact CD2-CD2 3.47Å; L185-L530 VanDerWaalsContact CD2-CD2 3.47Å; L185-L530 HydrophobicContact CD2-CG 4.22Å; I189-L530 HydrophobicContact CD1-CD1 3.63Å; I526-L530 HydrophobicContact CG2-CD1 4.04Å; I526-L530 WeakPolarHBondContact O-CG 3.11Å; I526-L530 PolarHBondContact O-N 3.46Å; I527-L530 PolarHBondContact O-N 2.75Å; L530-Q533 PolarHBondContact O-N 2.85Å; L530-M534 VanDerWaalsContact O-CG 3.23Å; L530-M534 WeakPolarHBondContact O-CG 3.41Å; L530-M534 PolarHBondContact O-N 3.41Å; L530-I549 HydrophobicContact CD2-CD1 3.7Å; L530-I549 HydrophobicContact CD2-CG2 4.24Å; L530-I549 HydrophobicContact CG-CD1 4.12Å
531N48.7Very low47.8Very low17 Ų1776.5 Ų76.59%0.09136%0.363CS..Hα-helixtrans-66.5-40.3177.9-77.1-16.7000112.6I527 Q528 Q529 Q533 M534 R535I527-N531 WeakPolarHBondContact O-CB 3.34Å; I527-N531 PolarHBondContact O-N 2.74Å; Q528-N531 PolarHBondContact O-N 3.39Å; Q529-N531 VanDerWaalsContact C-N 3.34Å; Q529-N531 PolarHBondContact O-N 2.93Å; N531-Q533 VanDerWaalsContact C-N 3.31Å; N531-M534 PolarHBondContact O-N 3.46Å; N531-R535 PolarHBondContact O-N 2.77Å
532R48.3Very low46.4Very low162 Ų16276.2 Ų76.261%0.61138%0.376SS*.Hα-helixtrans-63.6-39.4175.2-78.6179.8-172.8176.94.6111.3Q528 Q529 R535 N536Q528-R532 WeakPolarHBondContact O-CB 3.28Å; Q528-R532 VanDerWaalsContact O-CG 3.29Å; Q528-R532 WeakPolarHBondContact O-CG 3.38Å; Q528-R532 PolarHBondContact O-N 3.47Å; Q529-R532 PolarHBondContact O-N 2.93Å; R532-R535 PolarHBondContact O-N 3.2Å; R532-N536 WeakPolarHBondContact O-CB 3.32Å; R532-N536 PolarHBondContact O-N 3.3Å
533Q43.9Very low45.1Very low66 Ų6681.7 Ų81.731%0.30840%0.404SS..Hα-helixtrans-63.7-45.6174-74.3-167.5-13.300111.6Q529 L530 N531 R535 N536 I549Q529-Q533 WeakPolarHBondContact O-CG 3.47Å; Q529-Q533 PolarHBondContact O-N 3.44Å; L530-Q533 PolarHBondContact O-N 2.85Å; N531-Q533 VanDerWaalsContact C-N 3.31Å; Q533-R535 PolarHBondContact O-N 2.88Å; Q533-N536 PolarHBondContact O-N 2.9Å; Q533-I549 HydrophobicContact CG-CD1 4.12Å
534M42.5Very low43.8Very low92 Ų9283.8 Ų83.845%0.45343%0.425SS..Hα-helixtrans-58.8-30.7174.5-66.7-105-65.900113.2L156 L530 N531L156-M534 HydrophobicContact CD1-CE 3.9Å; L530-M534 VanDerWaalsContact O-CG 3.23Å; L530-M534 WeakPolarHBondContact O-CG 3.41Å; L530-M534 PolarHBondContact O-N 3.41Å; N531-M534 PolarHBondContact O-N 3.46Å
535R39.1Very low42.8Very low150 Ų15087.3 Ų87.357%0.56645%0.447SS*.Hα-helixtrans-82.8-43.4176.2-80.8-173.7-174.8-164.90.1114.1N531 R532 Q533 D537 Q538N531-R535 PolarHBondContact O-N 2.77Å; R532-R535 PolarHBondContact O-N 3.2Å; Q533-R535 PolarHBondContact O-N 2.88Å; R535-D537 PolarHBondContact O-N 2.74Å; R535-Q538 WeakPolarHBondContact O-CB 3.48Å; R535-Q538 PolarHBondContact O-N 3.09Å
536N36.7Very low41.8Very low85 Ų8590.4 Ų90.446%0.45546%0.458SS..Hα-helixtrans-68.3-14.5-172.8-83.40.3000113.1R532 Q533 Q538 Q539R532-N536 WeakPolarHBondContact O-CB 3.32Å; R532-N536 PolarHBondContact O-N 3.3Å; Q533-N536 PolarHBondContact O-N 2.9Å; N536-Q538 PolarHBondContact O-N 3.31Å; N536-Q539 CarbonylContact O-C 3.57Å; N536-Q539 VanDerWaalsContact O-C 3.32Å; N536-Q539 PolarHBondContact O-N 2.83Å
537D35.7Very low41Very low95 Ų9593 Ų9351%0.50848%0.477SS..THydrogen-bonded Turntrans-67.5-8167.8-73.3-19.9000113.5R535 F615R535-D537 PolarHBondContact O-N 2.74Å; D537-F615 WeakPolarHBondContact OD2-CE1 3.28Å
538Q36.7Very low40.5Very low144 Ų14495.7 Ų95.767%0.67349%0.494SS*.THydrogen-bonded Turntrans-81.5-19.1165.4-66.8-168.6-27.800113.4R535 N536R535-Q538 WeakPolarHBondContact O-CB 3.48Å; R535-Q538 PolarHBondContact O-N 3.09Å; N536-Q538 PolarHBondContact O-N 3.31Å
539Q34.8Very low39.8Very low146 Ų14694.2 Ų94.268%0.68249%0.487SS*.THydrogen-bonded Turntrans-141.488.2-173.8-70-174.7-12.400111.8N536 V541N536-Q539 CarbonylContact O-C 3.57Å; N536-Q539 VanDerWaalsContact O-C 3.32Å; N536-Q539 PolarHBondContact O-N 2.83Å; Q539-V541 WeakPolarHBondContact O-CG2 3.43Å; Q539-V541 PolarHBondContact O-N 3.4Å
540N32.7Very low39.2Very low167 Ų16794.6 Ų94.689%0.89349%0.489SS*.THydrogen-bonded Turntrans18.229.1150.5-71.9-9.6000122
541V29.6Very low39.1Very low101 Ų10199.2 Ų99.261%0.61251%0.508SS*.  trans-104.5133.1-179.5177.30000109.6Q539 M543Q539-V541 WeakPolarHBondContact O-CG2 3.43Å; Q539-V541 PolarHBondContact O-N 3.4Å; V541-M543 PolarHBondContact O-N 3.28Å
542P30.1Very low39.1Very low118 Ų11899.5 Ų99.577%0.76651%0.511SS*.  trans-66.3117.2-170.125-33.6000112A544P542-A544 PolarHBondContact O-N 2.9Å
543M32.8Very low39.1Very low164 Ų16493 Ų9381%0.80849%0.487SS*.  trans3.4101.9155.5-65.6-126.3-175.700115.7V541 T545V541-M543 PolarHBondContact O-N 3.28Å; M543-T545 PolarHBondContact O-N 3.5Å
544A32.8Very low39.4Very low65 Ų6597 Ų9754%0.53750%0.501SS..  trans-61.2103.9139.800000105.1P542P542-A544 PolarHBondContact O-N 2.9Å
545T36.6Very low39.8Very low78 Ų7897 Ų9748%0.47950%0.5SS..  trans-47.2147.5-173.252.10000110.5M543 S547 T548M543-T545 PolarHBondContact O-N 3.5Å; T545-S547 PolarHBondContact O-N 3.23Å; T545-S547 PolarHBondContact OG1-OG 3.43Å; T545-T548 PolarHBondContact O-N 2.87Å; T545-T548 PolarHBondContact O-OG1 3.44Å
546H39.5Very low40.3Very low102 Ų10290.1 Ų90.147%0.47247%0.474SS..Hα-helixtrans-41.7-28173.7-134.5-33.3000113.3T548 Q550H546-T548 PolarHBondContact O-N 3.39Å; H546-Q550 WeakPolarHBondContact O-CB 3.4Å; H546-Q550 WeakPolarHBondContact O-CG 3.38Å; H546-Q550 PolarHBondContact O-N 3.04Å; H546-Q550 VanDerWaalsContact O-N 3.13Å
547S40.5Very low40.8Very low63 Ų6387.1 Ų87.144%0.44146%0.459SS..Hα-helixtrans-54.6-34.9172.887.40000115.5T545 K551T545-S547 PolarHBondContact O-N 3.23Å; T545-S547 PolarHBondContact OG1-OG 3.43Å; S547-K551 WeakPolarHBondContact O-CB 3.31Å; S547-K551 PolarHBondContact O-N 3.34Å
548T42.7Very low41.6Very low59 Ų5985.7 Ų85.736%0.36245%0.449SS..Hα-helixtrans-76.1-38.6-173.7-23.30000112.1T545 H546 K551 S552T545-T548 PolarHBondContact O-N 2.87Å; T545-T548 PolarHBondContact O-OG1 3.44Å; H546-T548 PolarHBondContact O-N 3.39Å; T548-K551 PolarHBondContact O-N 2.86Å; T548-S552 WeakPolarHBondContact O-CB 3.3Å; T548-S552 PolarHBondContact O-N 3.43Å; T548-S552 PolarHBondContact O-OG 2.88Å
549I44.5Very low42.2Very low17 Ų1781.7 Ų81.79%0.08744%0.437CS..Hα-helixtrans-70.6-44.9172.7-68-155.4000110.2Q529 L530 Q533 K551 S552 F553Q529-I549 HydrophobicContact CB-CD1 4.44Å; L530-I549 HydrophobicContact CD2-CD1 3.7Å; L530-I549 HydrophobicContact CD2-CG2 4.24Å; L530-I549 HydrophobicContact CG-CD1 4.12Å; Q533-I549 HydrophobicContact CG-CD1 4.12Å; I549-K551 PolarHBondContact O-N 3.4Å; I549-S552 PolarHBondContact O-N 2.95Å; I549-F553 VanDerWaalsContact O-CB 3.3Å; I549-F553 WeakPolarHBondContact O-CB 3.34Å; I549-F553 PolarHBondContact O-N 2.88Å
550Q45.3Very low42.9Very low67 Ų6775.1 Ų75.131%0.31341%0.407SS..Hα-helixtrans-53.7-44.3172.4-80.7175.1-30.600110.4H546 Y554 L603H546-Q550 WeakPolarHBondContact O-CB 3.4Å; H546-Q550 WeakPolarHBondContact O-CG 3.38Å; H546-Q550 PolarHBondContact O-N 3.04Å; H546-Q550 VanDerWaalsContact O-N 3.13Å; Q550-Y554 WeakPolarHBondContact O-CA 3.22Å; Q550-Y554 WeakPolarHBondContact O-CB 3.28Å; Q550-Y554 PolarHBondContact O-N 3.34Å; Q550-L603 HydrophobicContact CG-CD1 4.24Å; Q550-L603 HydrophobicContact CG-CD2 4.14Å
551K47.7Very low43.8Very low125 Ų12572.7 Ų72.754%0.54339%0.386SS..Hα-helixtrans-65.7-47.5178.3-176.9173.6177178.40112.4S547 T548 I549 F553 Y554 E555S547-K551 WeakPolarHBondContact O-CB 3.31Å; S547-K551 PolarHBondContact O-N 3.34Å; T548-K551 PolarHBondContact O-N 2.86Å; I549-K551 PolarHBondContact O-N 3.4Å; K551-F553 PolarHBondContact O-N 2.85Å; K551-Y554 CarbonylContact O-C 3.59Å; K551-Y554 PolarHBondContact O-N 2.84Å; K551-E555 WeakPolarHBondContact CE-OE1 3.48Å; K551-E555 HydrophobicContact CG-CG 4.34Å; K551-E555 WeakPolarHBondContact CG-OE1 3.49Å; K551-E555 WeakPolarHBondContact O-CB 3.33Å; K551-E555 VanDerWaalsContact O-CG 3.25Å; K551-E555 WeakPolarHBondContact O-CG 3.4Å; K551-E555 PolarHBondContact O-N 2.87Å
552S48.2Very low45Very low24 Ų2472.6 Ų72.617%0.16838%0.377CS..Hα-helixtrans-62.7-43.6179.8-50.80000111.5Q529 T548 I549 E555 L556Q529-S552 PolarHBondContact OE1-OG 3.03Å; T548-S552 WeakPolarHBondContact O-CB 3.3Å; T548-S552 PolarHBondContact O-N 3.43Å; T548-S552 PolarHBondContact O-OG 2.88Å; I549-S552 PolarHBondContact O-N 2.95Å; S552-E555 PolarHBondContact O-N 3.47Å; S552-L556 PolarHBondContact O-N 2.84Å
553F49Very low45.9Very low24 Ų2467.9 Ų67.911%0.10535%0.346CS..Hα-helixtrans-68.9-40.8175.5-175.5-96.6000111.3L185 T188 I189 W192 I549 K551 E555 L556 T557L185-F553 HydrophobicContact CD1-CE2 4.47Å; T188-F553 HydrophobicContact CG2-CE2 4.21Å; T188-F553 HydrophobicContact CG2-CZ 3.68Å; I189-F553 HydrophobicContact CG1-CD2 4.18Å; I189-F553 HydrophobicContact CG1-CE2 3.93Å; W192-F553 AromaticContact NE1-CZ 3.92Å; I549-F553 VanDerWaalsContact O-CB 3.3Å; I549-F553 WeakPolarHBondContact O-CB 3.34Å; I549-F553 PolarHBondContact O-N 2.88Å; K551-F553 PolarHBondContact O-N 2.85Å; F553-E555 VanDerWaalsContact C-N 3.34Å; F553-L556 PolarHBondContact O-N 2.71Å; F553-T557 VanDerWaalsContact CE1-OG1 3.32Å; F553-T557 WeakPolarHBondContact CE1-OG1 3.32Å; F553-T557 WeakPolarHBondContact O-CB 3.04Å; F553-T557 PolarHBondContact O-N 2.95Å; F553-T557 PolarHBondContact O-OG1 2.89Å
554Y49.5Very low46.8Very low150 Ų15060.4 Ų60.459%0.58831%0.31SS*.Hα-helixtrans-62.9-39.9174.4-174.3-88.2000111.1Q550 K551 T557 E558Q550-Y554 WeakPolarHBondContact O-CA 3.22Å; Q550-Y554 WeakPolarHBondContact O-CB 3.28Å; Q550-Y554 PolarHBondContact O-N 3.34Å; K551-Y554 CarbonylContact O-C 3.59Å; K551-Y554 PolarHBondContact O-N 2.84Å; Y554-T557 CarbonylContact O-C 3.55Å; Y554-T557 PolarHBondContact O-N 3.25Å; Y554-E558 HydrophobicContact CD1-CB 4.36Å; Y554-E558 HydrophobicContact CE1-CB 4.26Å; Y554-E558 WeakPolarHBondContact CE1-OE2 3.37Å; Y554-E558 WeakPolarHBondContact O-CA 3.18Å; Y554-E558 WeakPolarHBondContact O-CB 3.25Å; Y554-E558 PolarHBondContact O-N 3.47Å
555E51.1Low47.7Very low93 Ų9360.1 Ų60.144%0.43530%0.299SS..Hα-helixtrans-65.6-43.7176.1-77.8173.1-178.800111.7K551 S552 F553 S559K551-E555 WeakPolarHBondContact CE-OE1 3.48Å; K551-E555 HydrophobicContact CG-CG 4.34Å; K551-E555 WeakPolarHBondContact CG-OE1 3.49Å; K551-E555 WeakPolarHBondContact O-CB 3.33Å; K551-E555 VanDerWaalsContact O-CG 3.25Å; K551-E555 WeakPolarHBondContact O-CG 3.4Å; K551-E555 PolarHBondContact O-N 2.87Å; S552-E555 PolarHBondContact O-N 3.47Å; F553-E555 VanDerWaalsContact C-N 3.34Å; E555-S559 WeakPolarHBondContact O-CB 3.33Å; E555-S559 PolarHBondContact O-N 3.28Å; E555-S559 PolarHBondContact O-OG 3.42Å
556L49.2Very low48.5Very low5 Ų562.6 Ų62.63%0.02630%0.3CS..Hα-helixtrans-61.5-48.9171.9178.773.7000110.5E522 I526 S552 F553 E558 S559 L560E522-L556 HydrophobicContact CB-CD1 4.07Å; E522-L556 WeakPolarHBondContact OE2-CD1 3.41Å; I526-L556 HydrophobicContact CD1-CB 3.96Å; I526-L556 HydrophobicContact CD1-CD2 3.57Å; I526-L556 HydrophobicContact CD1-CG 4.28Å; S552-L556 PolarHBondContact O-N 2.84Å; F553-L556 PolarHBondContact O-N 2.71Å; L556-E558 PolarHBondContact O-N 2.92Å; L556-S559 PolarHBondContact O-N 2.8Å; L556-L560 HydrophobicContact CD1-CD1 3.95Å; L556-L560 HydrophobicContact CD1-CG 4.33Å; L556-L560 HydrophobicContact CD2-CD1 4.43Å; L556-L560 HydrophobicContact CG-CD1 3.86Å; L556-L560 HydrophobicContact CG-CG 4.49Å; L556-L560 WeakPolarHBondContact O-CB 3.17Å; L556-L560 VanDerWaalsContact O-CG 3.3Å; L556-L560 WeakPolarHBondContact O-CG 3.32Å; L556-L560 PolarHBondContact O-N 3.39Å
557T48.5Very low49Very low23 Ų2358.3 Ų58.314%0.14128%0.28CS..Hα-helixtrans-61.9-43.6-179.3-57.70000111W192 F553 Y554 Y561W192-T557 HydrophobicContact CH2-CG2 3.66Å; W192-T557 HydrophobicContact CZ2-CG2 3.67Å; F553-T557 VanDerWaalsContact CE1-OG1 3.32Å; F553-T557 WeakPolarHBondContact CE1-OG1 3.32Å; F553-T557 WeakPolarHBondContact O-CB 3.04Å; F553-T557 PolarHBondContact O-N 2.95Å; F553-T557 PolarHBondContact O-OG1 2.89Å; Y554-T557 CarbonylContact O-C 3.55Å; Y554-T557 PolarHBondContact O-N 3.25Å; T557-Y561 WeakPolarHBondContact O-CA 3.43Å; T557-Y561 WeakPolarHBondContact O-CB 3.18Å; T557-Y561 PolarHBondContact O-N 2.68Å
558E51.1Low49.5Very low64 Ų6458 Ų5830%0.29927%0.272SS..Hα-helixtrans-69-40.3177.9-174.8-176.2-179.100110.6Y554 L556 Y561 K562Y554-E558 HydrophobicContact CD1-CB 4.36Å; Y554-E558 HydrophobicContact CE1-CB 4.26Å; Y554-E558 WeakPolarHBondContact CE1-OE2 3.37Å; Y554-E558 WeakPolarHBondContact O-CA 3.18Å; Y554-E558 WeakPolarHBondContact O-CB 3.25Å; Y554-E558 PolarHBondContact O-N 3.47Å; L556-E558 PolarHBondContact O-N 2.92Å; E558-Y561 PolarHBondContact O-N 3.48Å; E558-K562 HydrophobicContact CG-CD 4.13Å; E558-K562 HydrophobicContact CG-CG 4.41Å; E558-K562 VanDerWaalsContact O-CB 3.23Å; E558-K562 WeakPolarHBondContact O-CB 3.41Å; E558-K562 VanDerWaalsContact O-CG 3.22Å; E558-K562 WeakPolarHBondContact O-CG 3.45Å; E558-K562 PolarHBondContact O-N 2.62Å; E558-K562 WeakPolarHBondContact OE1-CE 3.31Å; E558-K562 IonicContact OE1-NZ 3.8Å; E558-K562 PolarHBondContact OE1-NZ 3.47Å
559S50.1Low50.1Low60 Ų6060.9 Ų60.942%0.4228%0.28SS..Hα-helixtrans-64.9-46.3176.3-64.20000111.2E555 L556 K562 L563E555-S559 WeakPolarHBondContact O-CB 3.33Å; E555-S559 PolarHBondContact O-N 3.28Å; E555-S559 PolarHBondContact O-OG 3.42Å; L556-S559 PolarHBondContact O-N 2.8Å; S559-K562 PolarHBondContact O-N 3.35Å; S559-L563 VanDerWaalsContact O-CB 3.32Å; S559-L563 WeakPolarHBondContact O-CB 2.96Å; S559-L563 PolarHBondContact O-N 3.02Å
560L49.3Very low50.3Low8 Ų862.3 Ų62.34%0.04229%0.286CS..Hα-helixtrans-68.8-35175.6-68.7173.9000112.1W192 I519 L556 L563 G564W192-L560 HydrophobicContact CB-CD1 4.08Å; W192-L560 HydrophobicContact CD2-CD1 4.21Å; W192-L560 HydrophobicContact CE3-CB 3.9Å; W192-L560 HydrophobicContact CE3-CD1 3.47Å; W192-L560 VanDerWaalsContact CE3-CD1 3.47Å; W192-L560 HydrophobicContact CE3-CG 4.31Å; W192-L560 HydrophobicContact CG-CD1 4.49Å; W192-L560 HydrophobicContact CZ3-CB 3.56Å; W192-L560 HydrophobicContact CZ3-CD1 4.03Å; W192-L560 HydrophobicContact CZ3-CG 4.44Å; I519-L560 HydrophobicContact CD1-CD2 4.05Å; L556-L560 HydrophobicContact CD1-CD1 3.95Å; L556-L560 HydrophobicContact CD1-CG 4.33Å; L556-L560 HydrophobicContact CD2-CD1 4.43Å; L556-L560 HydrophobicContact CG-CD1 3.86Å; L556-L560 HydrophobicContact CG-CG 4.49Å; L556-L560 WeakPolarHBondContact O-CB 3.17Å; L556-L560 VanDerWaalsContact O-CG 3.3Å; L556-L560 WeakPolarHBondContact O-CG 3.32Å; L556-L560 PolarHBondContact O-N 3.39Å; L560-L563 HydrophobicContact CD2-CD2 4.48Å; L560-L563 WeakPolarHBondContact O-CB 3.43Å; L560-L563 PolarHBondContact O-N 2.86Å; L560-G564 PolarHBondContact O-N 3.49Å
561Y51.6Low50.5Low116 Ų11660.3 Ų60.346%0.45528%0.277SS..Hα-helixtrans-70.3-41.7174-179.8-113.5000111.9T557 E558 L563 G564 I565 F592T557-Y561 WeakPolarHBondContact O-CA 3.43Å; T557-Y561 WeakPolarHBondContact O-CB 3.18Å; T557-Y561 PolarHBondContact O-N 2.68Å; E558-Y561 PolarHBondContact O-N 3.48Å; Y561-L563 VanDerWaalsContact C-N 3.26Å; Y561-L563 PolarHBondContact O-N 3.37Å; Y561-G564 CarbonylContact O-C 3.59Å; Y561-G564 PolarHBondContact O-N 3.25Å; Y561-I565 HydrophobicContact CD1-CD1 3.92Å; Y561-I565 HydrophobicContact CD1-CG1 4.3Å; Y561-I565 HydrophobicContact CD2-CG1 4.31Å; Y561-I565 HydrophobicContact CE1-CD1 3.22Å; Y561-I565 HydrophobicContact CE1-CG1 3.93Å; Y561-I565 HydrophobicContact CE2-CD1 4.05Å; Y561-I565 HydrophobicContact CE2-CG1 3.95Å; Y561-I565 WeakPolarHBondContact O-CB 3.48Å; Y561-I565 PolarHBondContact O-N 2.91Å; Y561-I565 WeakPolarHBondContact OH-CD1 3.32Å; Y561-F592 AromaticContact CD2-CE1 3.52Å; Y561-F592 HydrophobicContact CD2-CE1 3.52Å; Y561-F592 AromaticContact CD2-CZ 3.61Å; Y561-F592 HydrophobicContact CD2-CZ 3.61Å; Y561-F592 HydrophobicContact CE2-CE1 4.02Å; Y561-F592 HydrophobicContact CG-CE1 4.48Å; Y561-F592 HydrophobicContact CG-CZ 4.33Å
562K54.7Low50.7Low99 Ų9958.7 Ų58.743%0.4328%0.275SS..Hα-helixtrans-63.4-35.6172.1-78.1173.9-177.9166.10111.2E558 S559 R566E558-K562 HydrophobicContact CG-CD 4.13Å; E558-K562 HydrophobicContact CG-CG 4.41Å; E558-K562 VanDerWaalsContact O-CB 3.23Å; E558-K562 WeakPolarHBondContact O-CB 3.41Å; E558-K562 VanDerWaalsContact O-CG 3.22Å; E558-K562 WeakPolarHBondContact O-CG 3.45Å; E558-K562 PolarHBondContact O-N 2.62Å; E558-K562 WeakPolarHBondContact OE1-CE 3.31Å; E558-K562 IonicContact OE1-NZ 3.8Å; E558-K562 PolarHBondContact OE1-NZ 3.47Å; S559-K562 PolarHBondContact O-N 3.35Å; K562-R566 VanDerWaalsContact O-CB 3.24Å; K562-R566 WeakPolarHBondContact O-CB 3.47Å; K562-R566 WeakPolarHBondContact O-CG 3.29Å; K562-R566 PolarHBondContact O-N 2.95Å; K562-R566 PolarHBondContact O-NE 2.73Å
563L50.2Low50.8Low20 Ų2064.3 Ų64.311%0.10530%0.298CS..Hα-helixtrans-64.9-50.6171.7-168.971.9000109.9L199 F203 S559 L560 Y561 I565 R566 M567L199-L563 HydrophobicContact CB-CD2 4.27Å; L199-L563 HydrophobicContact CD1-CD2 4.29Å; F203-L563 HydrophobicContact CD2-CD1 4.46Å; F203-L563 HydrophobicContact CE2-CD1 3.67Å; F203-L563 HydrophobicContact CE2-CG 4.03Å; F203-L563 HydrophobicContact CZ-CD1 4.49Å; S559-L563 VanDerWaalsContact O-CB 3.32Å; S559-L563 WeakPolarHBondContact O-CB 2.96Å; S559-L563 PolarHBondContact O-N 3.02Å; L560-L563 HydrophobicContact CD2-CD2 4.48Å; L560-L563 WeakPolarHBondContact O-CB 3.43Å; L560-L563 PolarHBondContact O-N 2.86Å; Y561-L563 VanDerWaalsContact C-N 3.26Å; Y561-L563 PolarHBondContact O-N 3.37Å; L563-I565 PolarHBondContact O-N 3.33Å; L563-R566 CarbonylContact O-C 3.59Å; L563-R566 WeakPolarHBondContact O-CB 3.48Å; L563-R566 PolarHBondContact O-N 3.24Å; L563-M567 HydrophobicContact CG-SD 4.42Å; L563-M567 WeakPolarHBondContact O-CG 3.38Å; L563-M567 PolarHBondContact O-N 3.32Å
564G50.4Low50.9Low7 Ų765.8 Ų65.87%0.07231%0.305CS..Hα-helixtrans-63.3-36.917800000114.4L560 Y561 M567 M568L560-G564 PolarHBondContact O-N 3.49Å; Y561-G564 CarbonylContact O-C 3.59Å; Y561-G564 PolarHBondContact O-N 3.25Å; G564-M567 CarbonylContact O-C 3.59Å; G564-M567 WeakPolarHBondContact O-CB 3.16Å; G564-M567 PolarHBondContact O-N 2.95Å; G564-M568 WeakPolarHBondContact O-CG 3.32Å; G564-M568 PolarHBondContact O-N 3.43Å
565I52.7Low50.8Low59 Ų5966.1 Ų66.130%0.30332%0.316SS..Hα-helixtrans-67.6-47.5170.7-79.8-169.8000109.8Y561 L563 M567 M568 K569Y561-I565 HydrophobicContact CD1-CD1 3.92Å; Y561-I565 HydrophobicContact CD1-CG1 4.3Å; Y561-I565 HydrophobicContact CD2-CG1 4.31Å; Y561-I565 HydrophobicContact CE1-CD1 3.22Å; Y561-I565 HydrophobicContact CE1-CG1 3.93Å; Y561-I565 HydrophobicContact CE2-CD1 4.05Å; Y561-I565 HydrophobicContact CE2-CG1 3.95Å; Y561-I565 WeakPolarHBondContact O-CB 3.48Å; Y561-I565 PolarHBondContact O-N 2.91Å; Y561-I565 WeakPolarHBondContact OH-CD1 3.32Å; L563-I565 PolarHBondContact O-N 3.33Å; I565-M567 PolarHBondContact O-N 3.39Å; I565-M568 PolarHBondContact O-N 3.34Å; I565-K569 HydrophobicContact CG2-CD 4.18Å; I565-K569 HydrophobicContact CG2-CG 4.28Å; I565-K569 WeakPolarHBondContact O-CB 3.36Å; I565-K569 WeakPolarHBondContact O-CG 3.4Å; I565-K569 PolarHBondContact O-N 3.13Å
566R52Low50.4Low130 Ų13063.6 Ų63.649%0.49131%0.306SS..Hα-helixtrans-56.9-35.2174.7-87.2-178.1-81.2175-6.9110.4K562 L563 H570K562-R566 VanDerWaalsContact O-CB 3.24Å; K562-R566 WeakPolarHBondContact O-CB 3.47Å; K562-R566 WeakPolarHBondContact O-CG 3.29Å; K562-R566 PolarHBondContact O-N 2.95Å; K562-R566 PolarHBondContact O-NE 2.73Å; L563-R566 CarbonylContact O-C 3.59Å; L563-R566 WeakPolarHBondContact O-CB 3.48Å; L563-R566 PolarHBondContact O-N 3.24Å; R566-H570 VanDerWaalsContact O-CB 3.22Å; R566-H570 WeakPolarHBondContact O-CB 3.3Å; R566-H570 PolarHBondContact O-N 2.97Å
567M50Low49.9Very low11 Ų1168.2 Ų68.25%0.05434%0.339CS..Hα-helixtrans-68.8-50173.7-72.1175.280.600112.9L199 I202 F203 L563 G564 I565 K569 H570 L571L199-M567 HydrophobicContact CB-CE 3.84Å; L199-M567 HydrophobicContact CB-SD 3.52Å; L199-M567 VanDerWaalsContact CB-SD 3.52Å; L199-M567 HydrophobicContact CD1-SD 3.69Å; L199-M567 HydrophobicContact CD2-CE 3.28Å; L199-M567 HydrophobicContact CD2-SD 3.36Å; L199-M567 WeakPolarHBondContact CD2-SD 3.32Å; L199-M567 HydrophobicContact CG-CE 4Å; L199-M567 HydrophobicContact CG-SD 3.62Å; I202-M567 HydrophobicContact CB-CE 4.25Å; I202-M567 HydrophobicContact CG2-CE 4Å; F203-M567 HydrophobicContact CD2-CG 4.43Å; F203-M567 HydrophobicContact CD2-SD 4.27Å; F203-M567 HydrophobicContact CE1-CG 3.92Å; F203-M567 HydrophobicContact CE2-CE 4.27Å; F203-M567 HydrophobicContact CE2-CG 3.39Å; F203-M567 HydrophobicContact CE2-SD 3.57Å; F203-M567 VanDerWaalsContact CE2-SD 3.57Å; F203-M567 HydrophobicContact CZ-CB 4.37Å; F203-M567 HydrophobicContact CZ-CG 3.1Å; F203-M567 HydrophobicContact CZ-SD 3.95Å; L563-M567 HydrophobicContact CG-SD 4.42Å; L563-M567 WeakPolarHBondContact O-CG 3.38Å; L563-M567 PolarHBondContact O-N 3.32Å; G564-M567 CarbonylContact O-C 3.59Å; G564-M567 WeakPolarHBondContact O-CB 3.16Å; G564-M567 PolarHBondContact O-N 2.95Å; I565-M567 PolarHBondContact O-N 3.39Å; M567-K569 VanDerWaalsContact C-N 3.32Å; M567-K569 PolarHBondContact O-N 3.33Å; M567-H570 CarbonylContact O-C 3.59Å; M567-H570 PolarHBondContact O-N 3.4Å; M567-H570 VanDerWaalsContact O-N 3.13Å; M567-L571 VanDerWaalsContact O-CB 3.32Å; M567-L571 WeakPolarHBondContact O-CB 3.48Å; M567-L571 WeakPolarHBondContact O-CG 3.5Å; M567-L571 PolarHBondContact O-N 2.89Å
568M52Low49.5Very low56 Ų5669.7 Ų69.728%0.27635%0.345SS..Hα-helixtrans-61-43.8177.1-73.2-124.4-64.300110.8G564 I565 H570 L571 D572 L586 L589G564-M568 WeakPolarHBondContact O-CG 3.32Å; G564-M568 PolarHBondContact O-N 3.43Å; I565-M568 PolarHBondContact O-N 3.34Å; M568-H570 PolarHBondContact O-N 2.89Å; M568-L571 PolarHBondContact O-N 2.87Å; M568-D572 WeakPolarHBondContact O-CB 3.01Å; M568-D572 PolarHBondContact O-N 2.82Å; M568-L586 HydrophobicContact CE-CD1 4.06Å; M568-L586 HydrophobicContact SD-CD1 3.71Å; M568-L589 HydrophobicContact CE-CD1 4.36Å; M568-L589 HydrophobicContact CG-CD1 3.63Å; M568-L589 HydrophobicContact SD-CD1 3.43Å; M568-L589 WeakPolarHBondContact SD-CD1 3.39Å
569K55.5Low49.1Very low120 Ų12072.7 Ų72.752%0.52237%0.371SS..Hα-helixtrans-59.1-47.2171.2-74-171.2176.3-168.80111.5I565 M567 L571 D572 E573I565-K569 HydrophobicContact CG2-CD 4.18Å; I565-K569 HydrophobicContact CG2-CG 4.28Å; I565-K569 WeakPolarHBondContact O-CB 3.36Å; I565-K569 WeakPolarHBondContact O-CG 3.4Å; I565-K569 PolarHBondContact O-N 3.13Å; M567-K569 VanDerWaalsContact C-N 3.32Å; M567-K569 PolarHBondContact O-N 3.33Å; K569-L571 VanDerWaalsContact C-N 3.33Å; K569-L571 PolarHBondContact O-N 3.29Å; K569-D572 PolarHBondContact O-N 3.41Å; K569-E573 WeakPolarHBondContact O-CA 3.42Å; K569-E573 WeakPolarHBondContact O-CB 3.49Å; K569-E573 WeakPolarHBondContact O-CG 3.44Å; K569-E573 PolarHBondContact O-N 3.03Å
570H49.1Very low48.5Very low48 Ų4877.5 Ų77.522%0.22238%0.382CS..Hα-helixtrans-64.4-35.1177.7-98.1-44.2000113.6R566 M567 M568 K574R566-H570 VanDerWaalsContact O-CB 3.22Å; R566-H570 WeakPolarHBondContact O-CB 3.3Å; R566-H570 PolarHBondContact O-N 2.97Å; M567-H570 CarbonylContact O-C 3.59Å; M567-H570 PolarHBondContact O-N 3.4Å; M567-H570 VanDerWaalsContact O-N 3.13Å; M568-H570 PolarHBondContact O-N 2.89Å; H570-K574 PolarHBondContact CE1-NZ 3.32Å; H570-K574 PolarHBondContact ND1-NZ 2.89Å; H570-K574 WeakPolarHBondContact O-CB 2.94Å; H570-K574 VanDerWaalsContact O-CG 3.26Å; H570-K574 WeakPolarHBondContact O-CG 3.27Å; H570-K574 PolarHBondContact O-N 2.99Å
571L48.8Very low48Very low25 Ų2582 Ų8213%0.13141%0.406CS..Hα-helixtrans-74.5-45.3178.6-69.9166.2000111M567 M568 K569 N575 I576 I578M567-L571 VanDerWaalsContact O-CB 3.32Å; M567-L571 WeakPolarHBondContact O-CB 3.48Å; M567-L571 WeakPolarHBondContact O-CG 3.5Å; M567-L571 PolarHBondContact O-N 2.89Å; M568-L571 PolarHBondContact O-N 2.87Å; K569-L571 VanDerWaalsContact C-N 3.33Å; K569-L571 PolarHBondContact O-N 3.29Å; L571-N575 PolarHBondContact O-N 2.97Å; L571-N575 VanDerWaalsContact O-N 3.15Å; L571-I576 HydrophobicContact CD2-CB 4.03Å; L571-I576 HydrophobicContact CD2-CD1 4.32Å; L571-I576 HydrophobicContact CD2-CG2 4.2Å; L571-I576 PolarHBondContact O-N 2.81Å; L571-I578 HydrophobicContact CD1-CD1 4.47Å; L571-I578 HydrophobicContact CD2-CD1 3.35Å; L571-I578 HydrophobicContact CD2-CG1 3.77Å
572D52.1Low47.4Very low90 Ų9080.6 Ų80.648%0.48140%0.403SS..Hα-helixtrans-69.9-48.5179.4-71.2-22.3000111.3M568 K569 K574 H582M568-D572 WeakPolarHBondContact O-CB 3.01Å; M568-D572 PolarHBondContact O-N 2.82Å; K569-D572 PolarHBondContact O-N 3.41Å; D572-K574 PolarHBondContact O-N 3.42Å; D572-H582 IonicContact OD1-CE1 3.26Å; D572-H582 PolarHBondContact OD1-CE1 2.81Å; D572-H582 IonicContact OD1-NE2 2.75Å
573E49.4Very low46.9Very low143 Ų14383.9 Ų83.967%0.66842%0.417SS*.Hα-helixtrans-62.5-26.3178.8-72.3171-177.900111.8K569K569-E573 WeakPolarHBondContact O-CA 3.42Å; K569-E573 WeakPolarHBondContact O-CB 3.49Å; K569-E573 WeakPolarHBondContact O-CG 3.44Å; K569-E573 PolarHBondContact O-N 3.03Å
574K51.5Low46.6Very low55 Ų5585.8 Ų85.824%0.23943%0.43CS..THydrogen-bonded Turntrans-110.57.1-173.1-60.4-176.4171.9168.90115Y206 Q319 H570 D572 I576Y206-K574 WeakPolarHBondContact OH-CD 3.49Å; Y206-K574 PolarHBondContact OH-NZ 3.07Å; Y206-K574 VanDerWaalsContact OH-NZ 3.16Å; Q319-K574 PolarHBondContact O-NZ 2.74Å; H570-K574 PolarHBondContact CE1-NZ 3.32Å; H570-K574 PolarHBondContact ND1-NZ 2.89Å; H570-K574 WeakPolarHBondContact O-CB 2.94Å; H570-K574 VanDerWaalsContact O-CG 3.26Å; H570-K574 WeakPolarHBondContact O-CG 3.27Å; H570-K574 PolarHBondContact O-N 2.99Å; D572-K574 PolarHBondContact O-N 3.42Å; K574-I576 HydrophobicContact CB-CD1 3.67Å; K574-I576 HydrophobicContact CB-CG1 3.67Å; K574-I576 HydrophobicContact CD-CD1 4.06Å; K574-I576 HydrophobicContact CG-CD1 4.49Å; K574-I576 PolarHBondContact O-N 3.41Å
575N47.1Very low46.3Very low156 Ų15686.7 Ų86.783%0.83443%0.433SS*.THydrogen-bonded Turntrans49.931.5-179.9-100.2-17.1000113L571 S577L571-N575 PolarHBondContact O-N 2.97Å; L571-N575 VanDerWaalsContact O-N 3.15Å; N575-S577 PolarHBondContact O-N 2.86Å
576I43.1Very low46Very low40 Ų4087 Ų8721%0.20544%0.435CS..  trans-7499.6-175.7-60.1160000107Y206 L571 K574 I578Y206-I576 HydrophobicContact CD2-CD1 4.11Å; Y206-I576 HydrophobicContact CE2-CD1 3.32Å; Y206-I576 HydrophobicContact CE2-CG1 4.17Å; L571-I576 HydrophobicContact CD2-CB 4.03Å; L571-I576 HydrophobicContact CD2-CD1 4.32Å; L571-I576 HydrophobicContact CD2-CG2 4.2Å; L571-I576 PolarHBondContact O-N 2.81Å; K574-I576 HydrophobicContact CB-CD1 3.67Å; K574-I576 HydrophobicContact CB-CG1 3.67Å; K574-I576 HydrophobicContact CD-CD1 4.06Å; K574-I576 HydrophobicContact CG-CD1 4.49Å; K574-I576 PolarHBondContact O-N 3.41Å; I576-I578 HydrophobicContact CG2-CG1 3.67Å; I576-I578 PolarHBondContact O-N 2.81Å
577S39.2Very low45.7Very low103 Ų10383.8 Ų83.872%0.7243%0.432SS*.  trans-65.878162.6166.30000108.4N575 C579N575-S577 PolarHBondContact O-N 2.86Å; S577-C579 PolarHBondContact O-N 3.06Å; S577-C579 VanDerWaalsContact O-N 3.16Å
578I40Very low45.5Very low54 Ų5490.2 Ų90.228%0.27746%0.456SS..  trans-62.6120.1157.6-54.5-173.4000104.7I202 L571 I576 Y580I202-I578 HydrophobicContact CG2-CD1 4.22Å; L571-I578 HydrophobicContact CD1-CD1 4.47Å; L571-I578 HydrophobicContact CD2-CD1 3.35Å; L571-I578 HydrophobicContact CD2-CG1 3.77Å; I576-I578 HydrophobicContact CG2-CG1 3.67Å; I576-I578 PolarHBondContact O-N 2.81Å; I578-Y580 HydrophobicContact CG2-CD2 4.46Å; I578-Y580 CarbonylContact O-C 3.53Å; I578-Y580 VanDerWaalsContact O-C 3.29Å; I578-Y580 PolarHBondContact O-N 2.95Å
579C42.1Very low45.2Very low126 Ų12689.3 Ų89.385%0.85145%0.452SS*.SBendtrans-52.6-10.4175.8-71.50000113.7S577 N581S577-C579 PolarHBondContact O-N 3.06Å; S577-C579 VanDerWaalsContact O-N 3.16Å; C579-N581 VanDerWaalsContact C-N 3.31Å; C579-N581 PolarHBondContact O-N 2.69Å
580Y37.2Very low44.9Very low162 Ų16288.2 Ų88.264%0.63545%0.452SS*.SBendtrans-73.686.4161-87.1-88.8000111.1I578 H582I578-Y580 HydrophobicContact CG2-CD2 4.46Å; I578-Y580 CarbonylContact O-C 3.53Å; I578-Y580 VanDerWaalsContact O-C 3.29Å; I578-Y580 PolarHBondContact O-N 2.95Å; Y580-H582 PolarHBondContact O-N 2.86Å; Y580-H582 VanDerWaalsContact O-N 3.1Å
581N39.2Very low44.7Very low103 Ų10388.2 Ų88.255%0.55146%0.457SS*.  trans-1.698.1159.6-149.6-12.7000113.2C579 K583 T584C579-N581 VanDerWaalsContact C-N 3.31Å; C579-N581 PolarHBondContact O-N 2.69Å; N581-K583 PolarHBondContact O-N 3.14Å; N581-T584 WeakPolarHBondContact O-CB 3.49Å; N581-T584 PolarHBondContact O-N 3.27Å
582H40.1Very low44.7Very low86 Ų8688.3 Ų88.340%0.39846%0.457SS..Hα-helixtrans-46.1-33.1-179.4-144.5-81.3000112.4D572 Y580 T584 I585 L586D572-H582 IonicContact OD1-CE1 3.26Å; D572-H582 PolarHBondContact OD1-CE1 2.81Å; D572-H582 IonicContact OD1-NE2 2.75Å; Y580-H582 PolarHBondContact O-N 2.86Å; Y580-H582 VanDerWaalsContact O-N 3.1Å; H582-T584 PolarHBondContact O-N 2.91Å; H582-I585 PolarHBondContact O-N 3.16Å; H582-L586 VanDerWaalsContact O-CB 3.23Å; H582-L586 WeakPolarHBondContact O-CB 3.22Å; H582-L586 PolarHBondContact O-N 3.01Å
583K42.3Very low44.4Very low168 Ų16890 Ų9073%0.7346%0.459SS*.Hα-helixtrans-60.1-38.1174.7-77.2-177.7176177.30113.6N581 S587N581-K583 PolarHBondContact O-N 3.14Å; K583-S587 WeakPolarHBondContact O-CA 2.98Å; K583-S587 WeakPolarHBondContact O-CB 3.43Å; K583-S587 PolarHBondContact O-N 2.81Å
584T44.1Very low44.3Very low60 Ų6088.2 Ų88.237%0.36845%0.45SS..Hα-helixtrans-73-39.7179.4-44.80000110.9N581 H582 R588N581-T584 WeakPolarHBondContact O-CB 3.49Å; N581-T584 PolarHBondContact O-N 3.27Å; H582-T584 PolarHBondContact O-N 2.91Å; T584-R588 WeakPolarHBondContact O-CB 3.09Å; T584-R588 VanDerWaalsContact O-CG 3.3Å; T584-R588 WeakPolarHBondContact O-CG 3.41Å; T584-R588 PolarHBondContact O-N 3.5Å
585I44.5Very low43.9Very low26 Ų2692.8 Ų92.813%0.13347%0.467CS..Hα-helixtrans-66.2-50.7176.2-58.7-179.5000109.8W198 H582 S587 R588 L589W198-I585 HydrophobicContact CH2-CD1 4.43Å; W198-I585 HydrophobicContact CH2-CG1 4.26Å; H582-I585 PolarHBondContact O-N 3.16Å; I585-S587 VanDerWaalsContact C-N 3.32Å; I585-S587 PolarHBondContact O-N 3.32Å; I585-R588 PolarHBondContact O-N 2.74Å; I585-R588 VanDerWaalsContact O-N 3.15Å; I585-L589 HydrophobicContact CG2-CD1 4.07Å; I585-L589 PolarHBondContact O-N 3.26Å
586L46.2Very low43.7Very low66 Ų6687.3 Ų87.335%0.34644%0.443SS..Hα-helixtrans-63.7-38177.7-157.182.1000111.5M568 H582 L589 N590M568-L586 HydrophobicContact CE-CD1 4.06Å; M568-L586 HydrophobicContact SD-CD1 3.71Å; H582-L586 VanDerWaalsContact O-CB 3.23Å; H582-L586 WeakPolarHBondContact O-CB 3.22Å; H582-L586 PolarHBondContact O-N 3.01Å; L586-L589 PolarHBondContact O-N 3.28Å; L586-N590 VanDerWaalsContact O-CB 3.25Å; L586-N590 WeakPolarHBondContact O-CB 3.44Å; L586-N590 VanDerWaalsContact O-CG 3.24Å; L586-N590 PolarHBondContact O-N 2.94Å; L586-N590 PolarHBondContact O-ND2 2.64Å
587S47.1Very low43.9Very low62 Ų6290.3 Ų90.343%0.43446%0.456SS..Hα-helixtrans-59.9-47.8171.6165.20000110.9K583 I585 L589 N590 S591K583-S587 WeakPolarHBondContact O-CA 2.98Å; K583-S587 WeakPolarHBondContact O-CB 3.43Å; K583-S587 PolarHBondContact O-N 2.81Å; I585-S587 VanDerWaalsContact C-N 3.32Å; I585-S587 PolarHBondContact O-N 3.32Å; S587-L589 VanDerWaalsContact C-N 3.34Å; S587-L589 PolarHBondContact O-N 2.9Å; S587-N590 PolarHBondContact O-N 3.4Å; S587-S591 VanDerWaalsContact O-CB 3.32Å; S587-S591 WeakPolarHBondContact O-CB 3.32Å; S587-S591 PolarHBondContact O-N 2.88Å; S587-S591 PolarHBondContact O-OG 2.89Å
588R45Very low44.2Very low146 Ų14692 Ų9255%0.55145%0.447SS*.Hα-helixtrans-63.8-38.8177.3-75.1-179.6178.1-174-0.5111.8T584 I585 F592T584-R588 WeakPolarHBondContact O-CB 3.09Å; T584-R588 VanDerWaalsContact O-CG 3.3Å; T584-R588 WeakPolarHBondContact O-CG 3.41Å; T584-R588 PolarHBondContact O-N 3.5Å; I585-R588 PolarHBondContact O-N 2.74Å; I585-R588 VanDerWaalsContact O-N 3.15Å; R588-F592 WeakPolarHBondContact O-CB 3.01Å; R588-F592 PolarHBondContact O-N 3.49Å
589L46Very low44.3Very low37 Ų3790.7 Ų90.719%0.19444%0.439CS..Hα-helixtrans-70.8-32.7175.3-76.6170000113.7M568 I585 L586 S587 F592 K593M568-L589 HydrophobicContact CE-CD1 4.36Å; M568-L589 HydrophobicContact CG-CD1 3.63Å; M568-L589 HydrophobicContact SD-CD1 3.43Å; M568-L589 WeakPolarHBondContact SD-CD1 3.39Å; I585-L589 HydrophobicContact CG2-CD1 4.07Å; I585-L589 PolarHBondContact O-N 3.26Å; L586-L589 PolarHBondContact O-N 3.28Å; S587-L589 VanDerWaalsContact C-N 3.34Å; S587-L589 PolarHBondContact O-N 2.9Å; L589-F592 HydrophobicContact CD2-CD2 4.33Å; L589-F592 HydrophobicContact CD2-CE2 4.33Å; L589-F592 HydrophobicContact CD2-CG 4.49Å; L589-F592 WeakPolarHBondContact O-CB 3.37Å; L589-F592 WeakPolarHBondContact O-CD1 3.43Å; L589-F592 PolarHBondContact O-N 2.8Å; L589-K593 PolarHBondContact O-N 3.35Å
590N48.7Very low44.3Very low96 Ų9689.5 Ų89.551%0.51342%0.423SS..Hα-helixtrans-76.4-42.2174.7-76.9-23.8000111.5L586 S587 F592 K593 F594L586-N590 VanDerWaalsContact O-CB 3.25Å; L586-N590 WeakPolarHBondContact O-CB 3.44Å; L586-N590 VanDerWaalsContact O-CG 3.24Å; L586-N590 PolarHBondContact O-N 2.94Å; L586-N590 PolarHBondContact O-ND2 2.64Å; S587-N590 PolarHBondContact O-N 3.4Å; N590-F592 PolarHBondContact O-N 2.89Å; N590-K593 PolarHBondContact O-N 3.26Å; N590-K593 VanDerWaalsContact O-N 3.13Å; N590-F594 WeakPolarHBondContact O-CB 3.41Å; N590-F594 PolarHBondContact O-N 3.47Å
591S45.5Very low44.6Very low49 Ų4987.1 Ų87.134%0.34342%0.418SS..Hα-helixtrans-55-37167.1-60.80000110.3S587 F594 Y595S587-S591 VanDerWaalsContact O-CB 3.32Å; S587-S591 WeakPolarHBondContact O-CB 3.32Å; S587-S591 PolarHBondContact O-N 2.88Å; S587-S591 PolarHBondContact O-OG 2.89Å; S591-F594 CarbonylContact O-C 3.56Å; S591-F594 WeakPolarHBondContact O-CB 3.48Å; S591-F594 PolarHBondContact O-N 3.08Å; S591-Y595 WeakPolarHBondContact O-CD2 3.28Å; S591-Y595 PolarHBondContact O-N 3.32Å
592F48.1Very low44.6Very low27 Ų2784 Ų8412%0.11840%0.404CS..Hα-helixtrans-64.5-43.8173.8156.1-59000113.9W192 Y561 R588 L589 N590 F594 Y595 A596W192-F592 HydrophobicContact CE3-CE2 4.07Å; W192-F592 AromaticContact CH2-CD2 3.56Å; W192-F592 HydrophobicContact CH2-CD2 3.56Å; W192-F592 HydrophobicContact CH2-CE1 4.06Å; W192-F592 AromaticContact CH2-CE2 2.85Å; W192-F592 HydrophobicContact CH2-CE2 2.85Å; W192-F592 HydrophobicContact CH2-CG 4.44Å; W192-F592 AromaticContact CH2-CZ 3.1Å; W192-F592 HydrophobicContact CH2-CZ 3.1Å; W192-F592 AromaticContact CZ2-CD2 3.9Å; W192-F592 HydrophobicContact CZ2-CD2 3.9Å; W192-F592 AromaticContact CZ2-CE2 3.65Å; W192-F592 HydrophobicContact CZ2-CE2 3.65Å; W192-F592 AromaticContact CZ2-CZ 3.99Å; W192-F592 HydrophobicContact CZ2-CZ 3.99Å; W192-F592 AromaticContact CZ3-CD2 3.9Å; W192-F592 HydrophobicContact CZ3-CD2 3.9Å; W192-F592 AromaticContact CZ3-CE2 3.08Å; W192-F592 HydrophobicContact CZ3-CE2 3.08Å; W192-F592 AromaticContact CZ3-CZ 3.66Å; W192-F592 HydrophobicContact CZ3-CZ 3.66Å; Y561-F592 AromaticContact CD2-CE1 3.52Å; Y561-F592 HydrophobicContact CD2-CE1 3.52Å; Y561-F592 AromaticContact CD2-CZ 3.61Å; Y561-F592 HydrophobicContact CD2-CZ 3.61Å; Y561-F592 HydrophobicContact CE2-CE1 4.02Å; Y561-F592 HydrophobicContact CG-CE1 4.48Å; Y561-F592 HydrophobicContact CG-CZ 4.33Å; R588-F592 WeakPolarHBondContact O-CB 3.01Å; R588-F592 PolarHBondContact O-N 3.49Å; L589-F592 HydrophobicContact CD2-CD2 4.33Å; L589-F592 HydrophobicContact CD2-CE2 4.33Å; L589-F592 HydrophobicContact CD2-CG 4.49Å; L589-F592 WeakPolarHBondContact O-CB 3.37Å; L589-F592 WeakPolarHBondContact O-CD1 3.43Å; L589-F592 PolarHBondContact O-N 2.8Å; N590-F592 PolarHBondContact O-N 2.89Å; F592-F594 PolarHBondContact O-N 3.24Å; F592-Y595 PolarHBondContact O-N 3.24Å; F592-A596 WeakPolarHBondContact O-CB 3.37Å; F592-A596 PolarHBondContact O-N 2.97Å
593K46Very low44.6Very low124 Ų12481 Ų8154%0.53939%0.391SS..Hα-helixtrans-62.2-42175.4-179.1175.7171.8179.20109.1L589 N590 A596 E597L589-K593 PolarHBondContact O-N 3.35Å; N590-K593 PolarHBondContact O-N 3.26Å; N590-K593 VanDerWaalsContact O-N 3.13Å; K593-A596 PolarHBondContact O-N 3.45Å; K593-E597 WeakPolarHBondContact CE-OE1 3.18Å; K593-E597 HydrophobicContact CG-CG 4.41Å; K593-E597 IonicContact NZ-OE1 2.62Å; K593-E597 VanDerWaalsContact O-CB 3.28Å; K593-E597 WeakPolarHBondContact O-CB 3.43Å; K593-E597 VanDerWaalsContact O-CG 3.22Å; K593-E597 WeakPolarHBondContact O-CG 3.47Å; K593-E597 PolarHBondContact O-N 2.97Å
594F47.8Very low44.6Very low107 Ų10777.5 Ų77.547%0.46938%0.38SS..Hα-helixtrans-63.6-42.8175.4178.7-99.9000113.6N590 S591 F592 R598N590-F594 WeakPolarHBondContact O-CB 3.41Å; N590-F594 PolarHBondContact O-N 3.47Å; S591-F594 CarbonylContact O-C 3.56Å; S591-F594 WeakPolarHBondContact O-CB 3.48Å; S591-F594 PolarHBondContact O-N 3.08Å; F592-F594 PolarHBondContact O-N 3.24Å; F594-R598 HydrophobicContact CE1-CG 4.24Å; F594-R598 HydrophobicContact CE2-CG 4.31Å; F594-R598 HydrophobicContact CZ-CG 4.1Å; F594-R598 WeakPolarHBondContact O-CB 3.21Å; F594-R598 PolarHBondContact O-N 2.91Å
595Y43.4Very low44.4Very low151 Ų15183.2 Ų83.259%0.59240%0.395SS*.Hα-helixtrans-68.1-41.2177.1-79.2-64.6000112S591 F592 W599S591-Y595 WeakPolarHBondContact O-CD2 3.28Å; S591-Y595 PolarHBondContact O-N 3.32Å; F592-Y595 PolarHBondContact O-N 3.24Å; Y595-W599 VanDerWaalsContact O-CB 3.27Å; Y595-W599 WeakPolarHBondContact O-CB 3.23Å; Y595-W599 PolarHBondContact O-N 2.82Å
596A43.1Very low44.1Very low41 Ų4183 Ų8334%0.33939%0.394SS..Hα-helixtrans-64.5-42.4175.100000111.8F592 K593 W599 N600F592-A596 WeakPolarHBondContact O-CB 3.37Å; F592-A596 PolarHBondContact O-N 2.97Å; K593-A596 PolarHBondContact O-N 3.45Å; A596-W599 PolarHBondContact O-N 3.35Å; A596-N600 PolarHBondContact O-N 3.33Å
597E47.2Very low43.7Very low102 Ų10287.3 Ų87.348%0.47741%0.412SS..Hα-helixtrans-65.3-47.7175.4-76.1172.8172.200112K593 W599 N600 E601K593-E597 WeakPolarHBondContact CE-OE1 3.18Å; K593-E597 HydrophobicContact CG-CG 4.41Å; K593-E597 IonicContact NZ-OE1 2.62Å; K593-E597 VanDerWaalsContact O-CB 3.28Å; K593-E597 WeakPolarHBondContact O-CB 3.43Å; K593-E597 VanDerWaalsContact O-CG 3.22Å; K593-E597 WeakPolarHBondContact O-CG 3.47Å; K593-E597 PolarHBondContact O-N 2.97Å; E597-W599 PolarHBondContact O-N 3.47Å; E597-N600 WeakPolarHBondContact O-CB 3.22Å; E597-N600 PolarHBondContact O-N 3.27Å; E597-N600 VanDerWaalsContact O-N 3.16Å; E597-E601 PolarHBondContact O-N 2.9Å
598R43.8Very low43.4Very low139 Ų13991.4 Ų91.453%0.52543%0.429SS..Hα-helixtrans-59.9-32.8173.5-88.2-171.677.3151.64.2112.3F594 E601 C602F594-R598 HydrophobicContact CE1-CG 4.24Å; F594-R598 HydrophobicContact CE2-CG 4.31Å; F594-R598 HydrophobicContact CZ-CG 4.1Å; F594-R598 WeakPolarHBondContact O-CB 3.21Å; F594-R598 PolarHBondContact O-N 2.91Å; R598-E601 WeakPolarHBondContact O-CB 3.49Å; R598-E601 PolarHBondContact O-N 2.7Å; R598-C602 WeakPolarHBondContact O-CB 3.47Å; R598-C602 PolarHBondContact O-N 3.06Å; R598-C602 PolarHBondContact O-SG 3.46Å
599W42.2Very low43Very low27 Ų2786 Ų8610%0.10241%0.411CS..Hα-helixtrans-72-41.1176.5-166.9-102.7000111.9V181 N184 L185 Y595 A596 E597 E601 C602 L603V181-W599 HydrophobicContact CB-CH2 4.16Å; V181-W599 HydrophobicContact CG1-CH2 3.45Å; V181-W599 VanDerWaalsContact CG1-CH2 3.45Å; V181-W599 HydrophobicContact CG1-CZ2 3.95Å; V181-W599 HydrophobicContact CG1-CZ3 4.36Å; V181-W599 WeakPolarHBondContact O-CH2 3.15Å; N184-W599 HydrophobicContact CB-CE3 4.39Å; N184-W599 HydrophobicContact CB-CH2 4.28Å; N184-W599 HydrophobicContact CB-CZ3 3.55Å; L185-W599 HydrophobicContact CB-CH2 3.67Å; L185-W599 HydrophobicContact CB-CZ2 3.72Å; L185-W599 HydrophobicContact CD1-CH2 4.19Å; L185-W599 HydrophobicContact CD1-CZ2 3.37Å; L185-W599 HydrophobicContact CG-CZ2 4.07Å; Y595-W599 VanDerWaalsContact O-CB 3.27Å; Y595-W599 WeakPolarHBondContact O-CB 3.23Å; Y595-W599 PolarHBondContact O-N 2.82Å; A596-W599 PolarHBondContact O-N 3.35Å; E597-W599 PolarHBondContact O-N 3.47Å; W599-E601 VanDerWaalsContact C-N 3.28Å; W599-E601 PolarHBondContact O-N 2.74Å; W599-C602 HydrophobicContact CE3-CB 4.39Å; W599-C602 CarbonylContact O-C 3.32Å; W599-C602 PolarHBondContact O-N 3.47Å; W599-C602 VanDerWaalsContact O-N 3.14Å; W599-L603 WeakPolarHBondContact O-CB 3.46Å; W599-L603 PolarHBondContact O-N 3.2Å
600N43.2Very low42.7Very low100 Ų10090.1 Ų90.154%0.53543%0.434SS..Hα-helixtrans-58.4-41.4170.4-114.81.7000111.2A596 E597 L603 N604A596-N600 PolarHBondContact O-N 3.33Å; E597-N600 WeakPolarHBondContact O-CB 3.22Å; E597-N600 PolarHBondContact O-N 3.27Å; E597-N600 VanDerWaalsContact O-N 3.16Å; N600-L603 PolarHBondContact O-N 3.43Å; N600-N604 WeakPolarHBondContact O-CB 3.39Å; N600-N604 PolarHBondContact O-N 3.29Å; N600-N604 PolarHBondContact O-ND2 2.82Å; N600-N604 PolarHBondContact O-OD1 2.7Å
601E43.3Very low42.1Very low113 Ų11387.8 Ų87.853%0.52843%0.427SS..Hα-helixtrans-61.9-44.3171.5-80.5-171.1144.400112.7E597 R598 W599 L603 N604 R605E597-E601 PolarHBondContact O-N 2.9Å; R598-E601 WeakPolarHBondContact O-CB 3.49Å; R598-E601 PolarHBondContact O-N 2.7Å; W599-E601 VanDerWaalsContact C-N 3.28Å; W599-E601 PolarHBondContact O-N 2.74Å; E601-L603 VanDerWaalsContact C-N 3.35Å; E601-N604 PolarHBondContact O-N 3.34Å; E601-R605 WeakPolarHBondContact O-CG 3.43Å; E601-R605 PolarHBondContact O-N 2.82Å
602C40Very low41.6Very low38 Ų3891 Ų9126%0.25744%0.44SS..Hα-helixtrans-63-39.8176.5-82.10000112.1R598 W599 R605 I606R598-C602 WeakPolarHBondContact O-CB 3.47Å; R598-C602 PolarHBondContact O-N 3.06Å; R598-C602 PolarHBondContact O-SG 3.46Å; W599-C602 HydrophobicContact CE3-CB 4.39Å; W599-C602 CarbonylContact O-C 3.32Å; W599-C602 PolarHBondContact O-N 3.47Å; W599-C602 VanDerWaalsContact O-N 3.14Å; C602-R605 PolarHBondContact O-N 2.87Å; C602-I606 VanDerWaalsContact O-CG1 3.3Å; C602-I606 WeakPolarHBondContact O-CG1 3.46Å; C602-I606 PolarHBondContact O-N 3.16Å; C602-I606 VanDerWaalsContact O-N 3.17Å
603L39.5Very low41.1Very low21 Ų2194.1 Ų94.111%0.1145%0.454CS..Hα-helixtrans-64.2-45.3174.6-90.4166000111.7Q550 W599 N600 E601 R605 I606 E607Q550-L603 HydrophobicContact CG-CD1 4.24Å; Q550-L603 HydrophobicContact CG-CD2 4.14Å; W599-L603 WeakPolarHBondContact O-CB 3.46Å; W599-L603 PolarHBondContact O-N 3.2Å; N600-L603 PolarHBondContact O-N 3.43Å; E601-L603 VanDerWaalsContact C-N 3.35Å; L603-R605 VanDerWaalsContact C-N 3.26Å; L603-R605 PolarHBondContact O-N 2.8Å; L603-I606 WeakPolarHBondContact O-CA 3.4Å; L603-I606 WeakPolarHBondContact O-CB 3.43Å; L603-I606 PolarHBondContact O-N 2.9Å; L603-E607 PolarHBondContact O-N 2.95Å
604N42.2Very low40.9Very low96 Ų9688.9 Ų88.951%0.51343%0.433SS..Hα-helixtrans-62.1-35.6176.1-67.9-9.9000111.5N600 E601 I606 E607N600-N604 WeakPolarHBondContact O-CB 3.39Å; N600-N604 PolarHBondContact O-N 3.29Å; N600-N604 PolarHBondContact O-ND2 2.82Å; N600-N604 PolarHBondContact O-OD1 2.7Å; E601-N604 PolarHBondContact O-N 3.34Å; N604-I606 VanDerWaalsContact C-N 3.26Å; N604-I606 PolarHBondContact O-N 2.83Å; N604-E607 PolarHBondContact O-N 3.29Å
605R40.3Very low40.2Very low179 Ų17987.8 Ų87.868%0.67543%0.428SS*.Hα-helixtrans-69.6-19.9173-73.6-178.2-175-161.52.8113.9E601 C602 L603E601-R605 WeakPolarHBondContact O-CG 3.43Å; E601-R605 PolarHBondContact O-N 2.82Å; C602-R605 PolarHBondContact O-N 2.87Å; L603-R605 VanDerWaalsContact C-N 3.26Å; L603-R605 PolarHBondContact O-N 2.8Å
606I37.9Very low39.8Very low23 Ų2386.3 Ų86.312%0.11842%0.422CS..Hα-helixtrans-79.1-29.1174.8-67.6162.6000110.8V181 C602 L603 N604 D608 L609V181-I606 HydrophobicContact CB-CD1 4.47Å; V181-I606 HydrophobicContact CG1-CD1 3.68Å; V181-I606 HydrophobicContact CG2-CD1 4.06Å; C602-I606 VanDerWaalsContact O-CG1 3.3Å; C602-I606 WeakPolarHBondContact O-CG1 3.46Å; C602-I606 PolarHBondContact O-N 3.16Å; C602-I606 VanDerWaalsContact O-N 3.17Å; L603-I606 WeakPolarHBondContact O-CA 3.4Å; L603-I606 WeakPolarHBondContact O-CB 3.43Å; L603-I606 PolarHBondContact O-N 2.9Å; N604-I606 VanDerWaalsContact C-N 3.26Å; N604-I606 PolarHBondContact O-N 2.83Å; I606-D608 PolarHBondContact O-N 3.34Å; I606-L609 HydrophobicContact CG1-CD1 4.47Å; I606-L609 PolarHBondContact O-N 3.22Å; I606-L609 VanDerWaalsContact O-N 3.09Å
607E37.4Very low39.5Very low155 Ų15586.9 Ų86.972%0.72442%0.419SS*.Hα-helixtrans-61.9-31.2170.4-70.6-170.9157.400112.2L603 N604 L609L603-E607 PolarHBondContact O-N 2.95Å; N604-E607 PolarHBondContact O-N 3.29Å; E607-L609 VanDerWaalsContact C-N 3.33Å
608D40.2Very low38.9Very low148 Ų14883.9 Ų83.979%0.79141%0.407SS*.THydrogen-bonded Turntrans-79.3-12.1175.1-84.2-21.8000114I606 D610I606-D608 PolarHBondContact O-N 3.34Å; D608-D610 PolarHBondContact O-N 3.28Å
609L37.8Very low38.4Very low32 Ų3281.9 Ų81.917%0.16840%0.403CS..SBendtrans-82.6115176.1-83.5161.3000108.3N174 I606 E607 A611N174-L609 HydrophobicContact CB-CD2 3.63Å; N174-L609 WeakPolarHBondContact ND2-CD2 3.47Å; I606-L609 HydrophobicContact CG1-CD1 4.47Å; I606-L609 PolarHBondContact O-N 3.22Å; I606-L609 VanDerWaalsContact O-N 3.09Å; E607-L609 VanDerWaalsContact C-N 3.33Å; L609-A611 WeakPolarHBondContact O-CA 3.3Å; L609-A611 PolarHBondContact O-N 3.5Å
610D38.6Very low38.1Very low125 Ų12585 Ų8567%0.66842%0.421SS*.  trans-60.574.9166.8-147.73000108.6D608 I612 Q613D608-D610 PolarHBondContact O-N 3.28Å; D610-I612 PolarHBondContact O-N 2.74Å; D610-Q613 PolarHBondContact O-N 3.48Å; D610-Q613 VanDerWaalsContact O-N 3.13Å
611A37.5Very low37.7Very low46 Ų4685.4 Ų85.438%0.3842%0.416SS..Hα-helixtrans-61.9-24.4-161.700000111.3L609 Q613 T614 F615L609-A611 WeakPolarHBondContact O-CA 3.3Å; L609-A611 PolarHBondContact O-N 3.5Å; A611-Q613 VanDerWaalsContact C-N 3.32Å; A611-Q613 PolarHBondContact O-N 3.43Å; A611-T614 PolarHBondContact O-N 3.43Å; A611-F615 WeakPolarHBondContact O-CB 3.19Å; A611-F615 PolarHBondContact O-N 3.39Å; A611-F615 VanDerWaalsContact O-N 3.08Å
612I35.1Very low37.1Very low118 Ų11885.4 Ų85.461%0.60542%0.419SS*.Hα-helixtrans-57.6-41.7178.8-58.8176.5000111.5D610 R616D610-I612 PolarHBondContact O-N 2.74Å; I612-R616 VanDerWaalsContact CG2-NH2 3.29Å; I612-R616 WeakPolarHBondContact O-CB 3.25Å; I612-R616 PolarHBondContact O-N 2.91Å
613Q37.8Very low36.7Very low91 Ų9188.2 Ų88.243%0.42543%0.432SS..Hα-helixtrans-86.4-32.6-175.2-161.263.92400112.3D610 A611 R616 N617D610-Q613 PolarHBondContact O-N 3.48Å; D610-Q613 VanDerWaalsContact O-N 3.13Å; A611-Q613 VanDerWaalsContact C-N 3.32Å; A611-Q613 PolarHBondContact O-N 3.43Å; Q613-R616 PolarHBondContact O-N 2.98Å; Q613-N617 PolarHBondContact O-N 3.13Å; Q613-N617 PolarHBondContact O-ND2 2.88Å
614T40Very low36.3Very low14 Ų1493.1 Ų93.19%0.08646%0.462CS..Hα-helixtrans-70.7-42.8-179.2-46.90000110.9N174 V175 A611 N617 V618N174-T614 HydrophobicContact CB-CG2 3.73Å; V175-T614 HydrophobicContact CB-CG2 4.25Å; V175-T614 HydrophobicContact CG2-CG2 3.65Å; A611-T614 PolarHBondContact O-N 3.43Å; T614-N617 PolarHBondContact O-N 3.46Å; T614-V618 PolarHBondContact O-N 3.4Å
615F34Very low35.7Very low84 Ų8495 Ų9537%0.36847%0.468SS..Hα-helixtrans-68.2-34.9173.9-95.6-90.7000112.9L178 D537 A611 N617 V618 K619L178-F615 HydrophobicContact CD1-CE2 3.86Å; L178-F615 HydrophobicContact CD1-CZ 4.32Å; L178-F615 HydrophobicContact CD2-CD2 4.36Å; L178-F615 HydrophobicContact CD2-CE1 4.22Å; L178-F615 HydrophobicContact CD2-CE2 3.6Å; L178-F615 HydrophobicContact CD2-CZ 3.53Å; L178-F615 HydrophobicContact CG-CE2 4.4Å; D537-F615 WeakPolarHBondContact OD2-CE1 3.28Å; A611-F615 WeakPolarHBondContact O-CB 3.19Å; A611-F615 PolarHBondContact O-N 3.39Å; A611-F615 VanDerWaalsContact O-N 3.08Å; F615-N617 VanDerWaalsContact C-N 3.31Å; F615-N617 PolarHBondContact O-N 3.36Å; F615-V618 PolarHBondContact O-N 2.79Å; F615-K619 PolarHBondContact O-N 3.14Å
616R34.8Very low35.2Very low121 Ų12189.6 Ų89.646%0.45746%0.457SS..Hα-helixtrans-57.6-44.5174.4-132.5-176.7-70170.7-2.5111.7I612 Q613 V618 K619 D620I612-R616 VanDerWaalsContact CG2-NH2 3.29Å; I612-R616 WeakPolarHBondContact O-CB 3.25Å; I612-R616 PolarHBondContact O-N 2.91Å; Q613-R616 PolarHBondContact O-N 2.98Å; R616-V618 VanDerWaalsContact C-N 3.31Å; R616-V618 PolarHBondContact O-N 3.31Å; R616-K619 WeakPolarHBondContact O-CB 3.43Å; R616-K619 PolarHBondContact O-N 2.76Å; R616-D620 PolarHBondContact O-N 3.37Å
617N37.2Very low34.6Very low52 Ų5292.5 Ų92.528%0.27849%0.493SS..Hα-helixtrans-63.1-35.3178.3-66.8-31.5000112.6Q613 T614 F615 Y621Q613-N617 PolarHBondContact O-N 3.13Å; Q613-N617 PolarHBondContact O-ND2 2.88Å; T614-N617 PolarHBondContact O-N 3.46Å; F615-N617 VanDerWaalsContact C-N 3.31Å; F615-N617 PolarHBondContact O-N 3.36Å; N617-Y621 WeakPolarHBondContact O-CB 3.47Å; N617-Y621 PolarHBondContact O-N 3.26Å; N617-Y621 VanDerWaalsContact O-N 3.15Å
618V34.8Very low34.1Very low40 Ų4087.6 Ų87.624%0.24248%0.475CS..Hα-helixtrans-69.9-41.6175.7177.70000110.6V175 T614 F615 R616 Y621 L622V175-V618 HydrophobicContact CG1-CG2 3.4Å; T614-V618 PolarHBondContact O-N 3.4Å; F615-V618 PolarHBondContact O-N 2.79Å; R616-V618 VanDerWaalsContact C-N 3.31Å; R616-V618 PolarHBondContact O-N 3.31Å; V618-Y621 PolarHBondContact O-N 2.82Å; V618-L622 HydrophobicContact CG1-CD1 4Å; V618-L622 HydrophobicContact CG1-CG 4.47Å; V618-L622 WeakPolarHBondContact O-CG 3.37Å; V618-L622 PolarHBondContact O-N 3.44Å
619K32.1Very low33.6Very low97 Ų9788.9 Ų88.942%0.42248%0.477SS..Hα-helixtrans-62-45.8176.8-175174.3-178.41650112.3F615 R616 Y621 L622 N623F615-K619 PolarHBondContact O-N 3.14Å; R616-K619 WeakPolarHBondContact O-CB 3.43Å; R616-K619 PolarHBondContact O-N 2.76Å; K619-Y621 VanDerWaalsContact C-N 3.3Å; K619-Y621 PolarHBondContact O-N 3.12Å; K619-L622 PolarHBondContact O-N 2.72Å; K619-N623 WeakPolarHBondContact O-CB 3.36Å; K619-N623 PolarHBondContact O-N 2.86Å
620D36.1Very low33.2Very low91 Ų9196 Ų9649%0.48751%0.506SS..Hα-helixtrans-64-38.1177.2-68.9-19.7000110.8R616 V624R616-D620 PolarHBondContact O-N 3.37Å; D620-V624 WeakPolarHBondContact O-CB 3.45Å; D620-V624 WeakPolarHBondContact O-CG2 3.41Å; D620-V624 PolarHBondContact O-N 3.37Å
621Y34.7Very low32.6Very low109 Ų10994.8 Ų94.843%0.42750%0.499SS..Hα-helixtrans-68-42.5177.8-158.7-90.6000112.9I170 N617 V618 K619 V624 Q625I170-Y621 HydrophobicContact CD1-CE2 4.39Å; N617-Y621 WeakPolarHBondContact O-CB 3.47Å; N617-Y621 PolarHBondContact O-N 3.26Å; N617-Y621 VanDerWaalsContact O-N 3.15Å; V618-Y621 PolarHBondContact O-N 2.82Å; K619-Y621 VanDerWaalsContact C-N 3.3Å; K619-Y621 PolarHBondContact O-N 3.12Å; Y621-V624 PolarHBondContact O-N 3.26Å; Y621-Q625 PolarHBondContact O-N 3.28Å
622L30.3Very low32.1Very low114 Ų11497.5 Ų97.560%0.59751%0.506SS*.Hα-helixtrans-66.7-39.7177.4-73.4171.3000112V618 K619 S626V618-L622 HydrophobicContact CG1-CD1 4Å; V618-L622 HydrophobicContact CG1-CG 4.47Å; V618-L622 WeakPolarHBondContact O-CG 3.37Å; V618-L622 PolarHBondContact O-N 3.44Å; K619-L622 PolarHBondContact O-N 2.72Å; L622-S626 PolarHBondContact O-N 3.47Å; L622-S626 PolarHBondContact O-OG 2.93Å
623N32.8Very low31.7Very low97 Ų9794.7 Ų94.752%0.51951%0.507SS..Hα-helixtrans-72.1-31.5178.4-80.5-9.5000113.3K619 Q625K619-N623 WeakPolarHBondContact O-CB 3.36Å; K619-N623 PolarHBondContact O-N 2.86Å; N623-Q625 VanDerWaalsContact C-N 3.35Å
624V30.8Very low31.3Very low123 Ų12395.6 Ų95.675%0.74552%0.518SS*.Hα-helixtrans-73.4-26.1-178.9170.50000112.3D620 Y621D620-V624 WeakPolarHBondContact O-CB 3.45Å; D620-V624 WeakPolarHBondContact O-CG2 3.41Å; D620-V624 PolarHBondContact O-N 3.37Å; Y621-V624 PolarHBondContact O-N 3.26Å
625Q30.6Very low30.8Very low137 Ų137103 Ų10364%0.6455%0.546SS*.Hα-helixtrans-97.2-16177.5-74.1-146.3-23.200115.2Y621 N623 G627Y621-Q625 PolarHBondContact O-N 3.28Å; N623-Q625 VanDerWaalsContact C-N 3.35Å; Q625-G627 VanDerWaalsContact C-N 3.26Å; Q625-G627 PolarHBondContact O-N 3.02Å
626S27.9Very low30.4Very low64 Ų64102.9 Ų102.945%0.44855%0.549SS..  trans-82.269.3174.7630000111.6L622 S628L622-S626 PolarHBondContact O-N 3.47Å; L622-S626 PolarHBondContact O-OG 2.93Å; S626-S628 PolarHBondContact O-N 3.04Å
627G26.2Very low30Very low84 Ų84104.6 Ų104.687%0.86656%0.562SS**  trans-71.429.4161.300000112.9Q625Q625-G627 VanDerWaalsContact C-N 3.26Å; Q625-G627 PolarHBondContact O-N 3.02Å
628S27.2Very low29.6Very low52 Ų52105.9 Ų105.936%0.36458%0.575SS.*  trans-109.786.1-165.961.70000111.7S626 K630 L631S626-S628 PolarHBondContact O-N 3.04Å; S628-K630 PolarHBondContact O-N 3.33Å; S628-K630 VanDerWaalsContact O-N 3.1Å; S628-L631 PolarHBondContact O-N 3.42Å
629E28.9Very low29.4Very low175 Ų175111.6 Ų111.682%0.81860%0.603SS**G310 helixtrans-56-13157.8-74178.7150.700112.4L631E629-L631 PolarHBondContact O-N 2.91Å
630K29.8Very low29.2Very low182 Ų182113.1 Ų113.179%0.79161%0.614SS**G310 helixtrans-76.4-11.8-179.3-75.9-171.7174.4-1750116.2S628S628-K630 PolarHBondContact O-N 3.33Å; S628-K630 VanDerWaalsContact O-N 3.1Å
631L26.7Very low28.8Very low99 Ų99119.7 Ų119.752%0.51863%0.632SS.*G310 helixtrans-84.1-14.7175.8-102.5148.1000113.2S628 E629 G633 V634 Y635S628-L631 PolarHBondContact O-N 3.42Å; E629-L631 PolarHBondContact O-N 2.91Å; L631-G633 VanDerWaalsContact C-N 3.26Å; L631-G633 PolarHBondContact O-N 3.38Å; L631-V634 PolarHBondContact O-N 2.85Å; L631-Y635 HydrophobicContact CB-CE2 4.43Å; L631-Y635 HydrophobicContact CD2-CE2 4.37Å; L631-Y635 WeakPolarHBondContact O-CD2 3.19Å
632I27.1Very low28.7Very low103 Ų103123.3 Ų123.353%0.52865%0.646SS.*Hα-helixtrans-67.7-26.2-178.4-62.4170.1000111.8V634 Y635I632-V634 VanDerWaalsContact C-N 3.27Å; I632-V634 PolarHBondContact O-N 2.83Å; I632-Y635 PolarHBondContact O-N 3.25Å
633G26.2Very low28.7Very low60 Ų60126 Ų12662%0.61966%0.66SS**Hα-helixtrans-63.1-26.718000000114.9L631L631-G633 VanDerWaalsContact C-N 3.26Å; L631-G633 PolarHBondContact O-N 3.38Å
634V28.4Very low28.4Very low109 Ų109130.5 Ų130.566%0.66168%0.678SS**Hα-helixtrans-89.4-19179.5-172.30000111.8L631 I632 N636L631-V634 PolarHBondContact O-N 2.85Å; I632-V634 VanDerWaalsContact C-N 3.27Å; I632-V634 PolarHBondContact O-N 2.83Å; V634-N636 VanDerWaalsContact C-N 3.32Å; V634-N636 PolarHBondContact O-N 3.37Å
635Y29.4Very low28.7Very low170 Ų170127.4 Ų127.467%0.66766%0.662SS**Hα-helixtrans-76.1-14.7-177.3-78.7-75.2000114.4L631 I632L631-Y635 HydrophobicContact CB-CE2 4.43Å; L631-Y635 HydrophobicContact CD2-CE2 4.37Å; L631-Y635 WeakPolarHBondContact O-CD2 3.19Å; I632-Y635 PolarHBondContact O-N 3.25Å
636N27.4Very low29.2Very low82 Ų82128.4 Ų128.444%0.43968%0.678SS.*THydrogen-bonded Turntrans-94.43-172.8-72.5-7.1000115.2V634 S638 I658V634-N636 VanDerWaalsContact C-N 3.32Å; V634-N636 PolarHBondContact O-N 3.37Å; N636-S638 PolarHBondContact O-N 2.95Å; N636-I658 WeakPolarHBondContact O-CD1 3.35Å
637Q25.5Very low30.1Very low157 Ų157130.4 Ų130.473%0.73468%0.683SS**  trans-8191.8174.1-66.9-177.1-3.600109.4
638S28.7Very low30.4Very low78 Ų78129.5 Ų129.555%0.54568%0.675SS.*  trans-78.8144.8-174.351.80000113.5N636 I640N636-S638 PolarHBondContact O-N 2.95Å; S638-I640 PolarHBondContact O-N 3.11Å
639I30.6Very low30.5Very low160 Ų160130.8 Ų130.882%0.82168%0.68SS**  trans-64.4118.5-176.7-64.3161000110R641I639-R641 PolarHBondContact O-N 2.83Å
640I28Very low30.7Very low129 Ų129129.7 Ų129.766%0.66268%0.678SS**  trans-58.2107.7177.3-61.4169.8000109.7S638 Y642S638-I640 PolarHBondContact O-N 3.11Å; I640-Y642 HydrophobicContact CG2-CD2 4.14Å; I640-Y642 HydrophobicContact CG2-CE1 4.43Å; I640-Y642 HydrophobicContact CG2-CE2 3.98Å; I640-Y642 HydrophobicContact CG2-CG 4.45Å; I640-Y642 PolarHBondContact O-N 3.21Å
641R28.6Very low30.7Very low229 Ų229131.3 Ų131.386%0.86468%0.679SS**  trans-81.9105.5162.4-78.8-175179.5177.31.1107.7I639 L643I639-R641 PolarHBondContact O-N 2.83Å; R641-L643 PolarHBondContact O-N 2.87Å
642Y31.1Very low31Very low185 Ų185135.2 Ų135.273%0.72570%0.695SS**  trans-61.8106.9168.8-71.9-86.5000109.2I640 Q644I640-Y642 HydrophobicContact CG2-CD2 4.14Å; I640-Y642 HydrophobicContact CG2-CE1 4.43Å; I640-Y642 HydrophobicContact CG2-CE2 3.98Å; I640-Y642 HydrophobicContact CG2-CG 4.45Å; I640-Y642 PolarHBondContact O-N 3.21Å; Y642-Q644 PolarHBondContact O-N 2.95Å
643L30.6Very low31.2Very low171 Ų171136 Ų13690%0.89571%0.71SS**  trans-76.4100.2166.3-75.2163.9000107.2R641 S645R641-L643 PolarHBondContact O-N 2.87Å; L643-S645 PolarHBondContact O-N 3.48Å; L643-S645 VanDerWaalsContact O-N 3.15Å
644Q27.3Very low31.4Very low191 Ų191140.1 Ų140.189%0.89372%0.717SS**  trans-69.4101.6175.1-148.1174.36.100107.9Y642Y642-Q644 PolarHBondContact O-N 2.95Å
645S36.3Very low31.7Very low59 Ų59141.7 Ų141.741%0.41372%0.721SS.*  trans-74.4152166.968.40000109.8L643 D647 G648L643-S645 PolarHBondContact O-N 3.48Å; L643-S645 VanDerWaalsContact O-N 3.15Å; S645-D647 WeakPolarHBondContact CB-OD1 3.28Å; S645-D647 PolarHBondContact O-N 3.47Å; S645-D647 PolarHBondContact OG-OD1 3.37Å; S645-G648 PolarHBondContact O-N 3.35Å; S645-G648 VanDerWaalsContact O-N 3.12Å
646T42.1Very low32Very low157 Ų157136.2 Ų136.296%0.96371%0.711SS**THydrogen-bonded Turntrans-65-10.4-169.944.80000115.1
647D45.1Very low32.4Very low106 Ų106135.4 Ų135.457%0.56771%0.707SS**THydrogen-bonded Turntrans-100.93.2178.156.7-17000114S645 T649S645-D647 WeakPolarHBondContact CB-OD1 3.28Å; S645-D647 PolarHBondContact O-N 3.47Å; S645-D647 PolarHBondContact OG-OD1 3.37Å; D647-T649 VanDerWaalsContact C-N 3.3Å; D647-T649 PolarHBondContact O-N 2.82Å
648G33.2Very low32.9Very low66 Ų66132.7 Ų132.768%0.6870%0.696SS**  trans75.18164.200000116.3S645S645-G648 PolarHBondContact O-N 3.35Å; S645-G648 VanDerWaalsContact O-N 3.12Å
649T30.4Very low33.5Very low78 Ų78135.8 Ų135.848%0.47971%0.706SS.*  trans-98.1134.9176.755.50000113D647D647-T649 VanDerWaalsContact C-N 3.3Å; D647-T649 PolarHBondContact O-N 2.82Å
650I31.2Very low34.2Very low153 Ų153134.1 Ų134.179%0.78570%0.698SS**  trans-81.7118.1176.2-58.6168.5000108.4
651R31.1Very low34.5Very low215 Ų215130.7 Ų130.781%0.81170%0.695SS**  trans-113.3113.4171.5-67.6-168.3-175.1-156.72.9110.6
652E32.9Very low34.9Very low181 Ų181126 Ų12685%0.84668%0.683SS**  trans55.2136.2157-69178.8166.700120.8
653S31.5Very low35Very low121 Ų121121.3 Ų121.385%0.84668%0.675SS**  trans-91.9107.3179.452.60000110.9
654L30.6Very low35.3Very low146 Ų146117.4 Ų117.476%0.76466%0.658SS**  trans-123.3114.5172.8-83.6156000110.1
655L34Very low35.7Very low141 Ų141116.7 Ų116.774%0.73866%0.655SS**  trans-77.6109169-89143.9000108.3
656A35.9Very low35.4Very low56 Ų56120.4 Ų120.446%0.46368%0.675SS.*BIsolated β-bridgetrans-110.8143177.900000111.3
657D36.1Very low34.9Very low65 Ų65120.8 Ų120.835%0.34867%0.67SS.*  trans-72.4133.5172.7-161.9-12.7000110.8L659 N660 G661 Q662 V664D657-L659 VanDerWaalsContact C-N 3.3Å; D657-L659 PolarHBondContact O-N 2.76Å; D657-N660 PolarHBondContact O-N 2.97Å; D657-G661 WeakPolarHBondContact O-CA 3.31Å; D657-G661 PolarHBondContact O-N 2.76Å; D657-Q662 PolarHBondContact N-O 3.37Å; D657-V664 HydrophobicContact CB-CG2 3.95Å
658I35.4Very low34.2Very low100 Ų100122.7 Ų122.751%0.51368%0.68SS.*THydrogen-bonded Turntrans-67.1-31.9-170.7-59.6172.2000111.7N636N636-I658 WeakPolarHBondContact O-CD1 3.35Å
659L40.5Very low34Very low143 Ų143127.2 Ų127.275%0.74969%0.689SS**THydrogen-bonded Turntrans-75-34.5-175.3-70.8171000112.3D657D657-L659 VanDerWaalsContact C-N 3.3Å; D657-L659 PolarHBondContact O-N 2.76Å
660N45.6Very low33.9Very low124 Ų124129.9 Ų129.966%0.66371%0.705SS**THydrogen-bonded Turntrans-130.1-8.7-166.7-50.50.1000114.3D657 Q662D657-N660 PolarHBondContact O-N 2.97Å; N660-Q662 PolarHBondContact O-N 3.44Å
661G33.9Very low33.6Very low57 Ų57132.1 Ų132.159%0.58871%0.712SS**  trans69.212.9-17900000115.2D657D657-G661 WeakPolarHBondContact O-CA 3.31Å; D657-G661 PolarHBondContact O-N 2.76Å
662Q38.2Very low33.4Very low130 Ų130126.3 Ų126.361%0.60770%0.704SS**PPolyproline II helixtrans-91.7151.4178.9-69.5-73.4-3900111.1D657 N660D657-Q662 PolarHBondContact N-O 3.37Å; N660-Q662 PolarHBondContact O-N 3.44Å
663P33.7Very low33Very low88 Ų88124.7 Ų124.757%0.57171%0.707SS**BIsolated β-bridgetrans-65141.3176.826.6-33.8000111.8
664V36.1Very low32.7Very low89 Ų89126.4 Ų126.454%0.53971%0.705SS.*PPolyproline II helixtrans-86.8117.2-178.2-179.20000110.4D657D657-V664 HydrophobicContact CB-CG2 3.95Å
665E36.3Very low32.4Very low176 Ų176128.3 Ų128.382%0.82271%0.71SS**PPolyproline II helixtrans-78.2127.1166.4-74.1-173.716600110.7I667E665-I667 PolarHBondContact O-N 2.73Å
666T30.7Very low32Very low136 Ų136129 Ų12983%0.83471%0.714SS**PPolyproline II helixtrans-64.1119.4179.444.30000112.3
667I30.9Very low31.7Very low166 Ų166131.4 Ų131.485%0.85173%0.725SS**  trans-104.6127176.6-59.9171.6000109.3E665E665-I667 PolarHBondContact O-N 2.73Å
668N29.5Very low31.6Very low146 Ų146139.3 Ų139.378%0.78175%0.75SS**  trans-68.5146.8-172.9-72.8-28.4000114.9
669D28.6Very low31.7Very low161 Ų161142.7 Ų142.786%0.86176%0.763SS**  trans-57.6137.1177.8-62.4-55.2000114.6
670T30.2Very low31.4Very low133 Ų133143.8 Ų143.882%0.81677%0.769SS**  trans-132.5114.7160.139.70000110.5
671E24.3Very low30.6Very low200 Ų200145.9 Ų145.994%0.93578%0.779SS**  trans-60.2129.1173.8-65.1173.3144.600110.9
672S26.9Very low30.8Very low94 Ų94148.2 Ų148.266%0.65778%0.778SS**  trans-132.4115.3168.641.20000110.3
673T23.3Very low30.8Very low146 Ų146146.6 Ų146.690%0.89678%0.777SS**PPolyproline II helixtrans-76.6136.1176.434.10000110.8
674I26.8Very low30.9Very low158 Ų158148.1 Ų148.181%0.8178%0.78SS**PPolyproline II helixtrans-100.7120.7-177.1-60.8170000108.9
675E23.8Very low31Very low185 Ų185148.2 Ų148.286%0.86478%0.777SS**PPolyproline II helixtrans-78.9132.2173.7-74.4-170.7150.900111.9
676L25.3Very low30.9Very low157 Ų157142.3 Ų142.382%0.82276%0.759SS**PPolyproline II helixtrans-87.2140.1179.9-88.6119.3000113.2
677P29Very low31.4Very low106 Ų106142.8 Ų142.869%0.68875%0.746SS**PPolyproline II helixtrans-74.8142.7-177.327.6-33.7000114.6H679P677-H679 PolarHBondContact O-N 3.27Å
678R34.7Very low31.8Very low231 Ų231140 Ų14087%0.87273%0.733SS**SBendtrans-85.526.7-164.3-61.1-179.3-174.7171.42.5116.5
679H37.5Very low32.3Very low170 Ų170135.7 Ų135.779%0.78772%0.717SS**  trans-121.717.9-167.5-48.8-44.1000116.7P677P677-H679 PolarHBondContact O-N 3.27Å
680L34.3Very low33Very low167 Ų167133.1 Ų133.187%0.87470%0.703SS**  trans-105.785.1176.2-82.7156.5000111.1
681L28.5Very low33.9Very low167 Ų167130.5 Ų130.587%0.87468%0.683SS**  trans-98.288.4162.9-132.197.8000107.5
682D39.3Very low35Very low106 Ų106126.1 Ų126.157%0.56766%0.661SS**  trans-130.686.9161.3-140.3-14.5000107.3N684 L685 A686D682-N684 PolarHBondContact O-N 3.47Å; D682-N684 VanDerWaalsContact O-N 3.07Å; D682-L685 PolarHBondContact O-N 3.26Å; D682-L685 VanDerWaalsContact O-N 3.13Å; D682-A686 PolarHBondContact O-N 2.9Å
683T36.8Very low35.9Very low97 Ų97127.8 Ų127.860%0.59566%0.659SS**Hα-helixtrans-59.3-23.1-164.335.20000113.5Y687T683-Y687 WeakPolarHBondContact O-CB 3.35Å; T683-Y687 PolarHBondContact O-N 3.44Å
684N35.9Very low37.6Very low120 Ų120125.1 Ų125.164%0.64264%0.639SS**Hα-helixtrans-74.4-38.5177.9-74-22.9000113.2D682 Y687 L688D682-N684 PolarHBondContact O-N 3.47Å; D682-N684 VanDerWaalsContact O-N 3.07Å; N684-Y687 PolarHBondContact O-N 3.39Å; N684-L688 PolarHBondContact O-N 3.42Å
685L37.8Very low39.2Very low90 Ų90123 Ų12347%0.47163%0.626SS.*Hα-helixtrans-75.5-39.7177.9-114153.2000110.6D682 Y687 L688 A689D682-L685 PolarHBondContact O-N 3.26Å; D682-L685 VanDerWaalsContact O-N 3.13Å; L685-Y687 VanDerWaalsContact C-N 3.29Å; L685-Y687 PolarHBondContact O-N 3.2Å; L685-L688 PolarHBondContact O-N 2.84Å; L685-A689 VanDerWaalsContact O-CB 3.22Å; L685-A689 WeakPolarHBondContact O-CB 3.4Å; L685-A689 PolarHBondContact O-N 3.5Å
686A35.1Very low40.4Very low53 Ų53120.7 Ų120.744%0.43861%0.61SS.*Hα-helixtrans-60.2-39.9169.900000111.4D682 L690D682-A686 PolarHBondContact O-N 2.9Å; A686-L690 WeakPolarHBondContact O-CB 3.38Å; A686-L690 WeakPolarHBondContact O-CD1 3.49Å; A686-L690 WeakPolarHBondContact O-CG 3Å; A686-L690 PolarHBondContact O-N 3.31Å
687Y40.2Very low41.9Very low146 Ų146116.8 Ų116.857%0.57360%0.596SS**Hα-helixtrans-67.2-43.6176.2-176.9-103.8000112.8T683 N684 L685 L690 L691T683-Y687 WeakPolarHBondContact O-CB 3.35Å; T683-Y687 PolarHBondContact O-N 3.44Å; N684-Y687 PolarHBondContact O-N 3.39Å; L685-Y687 VanDerWaalsContact C-N 3.29Å; L685-Y687 PolarHBondContact O-N 3.2Å; Y687-L690 PolarHBondContact O-N 2.82Å; Y687-L691 HydrophobicContact CD1-CD1 3.82Å; Y687-L691 HydrophobicContact CD1-CG 4.44Å; Y687-L691 HydrophobicContact CE1-CD1 3.37Å; Y687-L691 HydrophobicContact CE1-CG 4.09Å; Y687-L691 WeakPolarHBondContact O-CG 3.24Å; Y687-L691 PolarHBondContact O-N 2.75Å
688L40.5Very low43.9Very low107 Ų107117.8 Ų117.856%0.5659%0.591SS**Hα-helixtrans-66.1-40.5175.1-85.6164.1000112.3N684 L685 L691 K692N684-L688 PolarHBondContact O-N 3.42Å; L685-L688 PolarHBondContact O-N 2.84Å; L688-L691 PolarHBondContact O-N 3.44Å; L688-K692 WeakPolarHBondContact O-CB 3.42Å; L688-K692 PolarHBondContact O-N 2.91Å
689A40.1Very low45Very low55 Ų55111.1 Ų111.146%0.45557%0.572SS.*Hα-helixtrans-64.2-41.2173.400000111L685 K692 Q693L685-A689 VanDerWaalsContact O-CB 3.22Å; L685-A689 WeakPolarHBondContact O-CB 3.4Å; L685-A689 PolarHBondContact O-N 3.5Å; A689-K692 PolarHBondContact O-N 3.25Å; A689-Q693 WeakPolarHBondContact O-CB 3.29Å; A689-Q693 PolarHBondContact O-N 3.17Å
690L43.5Very low45.8Very low107 Ų107106.3 Ų106.356%0.5656%0.555SS**Hα-helixtrans-62.7-40.7172.5-90.2159.2000111.8A686 Y687 Q693 N694A686-L690 WeakPolarHBondContact O-CB 3.38Å; A686-L690 WeakPolarHBondContact O-CD1 3.49Å; A686-L690 WeakPolarHBondContact O-CG 3Å; A686-L690 PolarHBondContact O-N 3.31Å; Y687-L690 PolarHBondContact O-N 2.82Å; L690-Q693 PolarHBondContact O-N 2.97Å; L690-N694 WeakPolarHBondContact O-CB 3.48Å; L690-N694 PolarHBondContact O-N 3.36Å
691L47.2Very low47.3Very low78 Ų78101.4 Ų101.441%0.40853%0.533SS..Hα-helixtrans-64.2-48.4175.5-82.4171.9000111.7Y687 L688 Q693 N694 E695Y687-L691 HydrophobicContact CD1-CD1 3.82Å; Y687-L691 HydrophobicContact CD1-CG 4.44Å; Y687-L691 HydrophobicContact CE1-CD1 3.37Å; Y687-L691 HydrophobicContact CE1-CG 4.09Å; Y687-L691 WeakPolarHBondContact O-CG 3.24Å; Y687-L691 PolarHBondContact O-N 2.75Å; L688-L691 PolarHBondContact O-N 3.44Å; L691-Q693 VanDerWaalsContact C-N 3.34Å; L691-Q693 PolarHBondContact O-N 2.85Å; L691-N694 PolarHBondContact O-N 3.49Å; L691-E695 PolarHBondContact O-N 3.35Å
692K49Very low49.4Very low109 Ų109100.3 Ų100.347%0.47452%0.521SS..Hα-helixtrans-60.9-42.7174.4-91.7-87.3-179.7-177.80111.6L688 A689 N694 E695 Y696L688-K692 WeakPolarHBondContact O-CB 3.42Å; L688-K692 PolarHBondContact O-N 2.91Å; A689-K692 PolarHBondContact O-N 3.25Å; K692-N694 VanDerWaalsContact C-N 3.3Å; K692-N694 PolarHBondContact O-N 3.12Å; K692-E695 WeakPolarHBondContact O-CB 3.46Å; K692-E695 PolarHBondContact O-N 2.78Å; K692-Y696 HydrophobicContact CD-CE2 4.01Å; K692-Y696 WeakPolarHBondContact O-CD2 3.1Å; K692-Y696 PolarHBondContact O-N 3.39Å
693Q44.4Very low50.3Low128 Ų12899.3 Ų99.360%0.59852%0.519SS*.Hα-helixtrans-65.5-35.4176.4-173.3175.46.200111A689 L690 L691 Y696 S697A689-Q693 WeakPolarHBondContact O-CB 3.29Å; A689-Q693 PolarHBondContact O-N 3.17Å; L690-Q693 PolarHBondContact O-N 2.97Å; L691-Q693 VanDerWaalsContact C-N 3.34Å; L691-Q693 PolarHBondContact O-N 2.85Å; Q693-Y696 PolarHBondContact O-N 3.28Å; Q693-S697 WeakPolarHBondContact O-CB 3.35Å; Q693-S697 PolarHBondContact O-N 2.74Å
694N60.3Low51.5Low91 Ų91100.4 Ų100.449%0.48752%0.517SS..Hα-helixtrans-71.9-38.8175.1-154.68.7000111.4L690 L691 K692 S697 Q698L690-N694 WeakPolarHBondContact O-CB 3.48Å; L690-N694 PolarHBondContact O-N 3.36Å; L691-N694 PolarHBondContact O-N 3.49Å; K692-N694 VanDerWaalsContact C-N 3.3Å; K692-N694 PolarHBondContact O-N 3.12Å; N694-S697 PolarHBondContact O-N 3.35Å; N694-Q698 VanDerWaalsContact O-CG 3.3Å; N694-Q698 WeakPolarHBondContact O-CG 3.19Å; N694-Q698 PolarHBondContact O-N 3.31Å
695E59.3Low53.4Low113 Ų11398.5 Ų98.553%0.52851%0.511SS..Hα-helixtrans-58.6-49.3168.7-92.8-17215400111.4L691 K692 S697 Q698 L699L691-E695 PolarHBondContact O-N 3.35Å; K692-E695 WeakPolarHBondContact O-CB 3.46Å; K692-E695 PolarHBondContact O-N 2.78Å; E695-S697 VanDerWaalsContact C-N 3.35Å; E695-S697 PolarHBondContact O-N 2.78Å; E695-Q698 PolarHBondContact O-N 3.16Å; E695-L699 PolarHBondContact O-N 3.37Å
696Y48.6Very low54.8Low136 Ų13699.5 Ų99.553%0.53351%0.514SS..Hα-helixtrans-63.9-40.4176.4-74.7-57.6000111.5K692 Q693 Q698 L699 V700K692-Y696 HydrophobicContact CD-CE2 4.01Å; K692-Y696 WeakPolarHBondContact O-CD2 3.1Å; K692-Y696 PolarHBondContact O-N 3.39Å; Q693-Y696 PolarHBondContact O-N 3.28Å; Y696-Q698 PolarHBondContact O-N 2.97Å; Y696-L699 PolarHBondContact O-N 2.87Å; Y696-V700 VanDerWaalsContact O-CG2 3.22Å; Y696-V700 WeakPolarHBondContact O-CG2 3.04Å; Y696-V700 PolarHBondContact O-N 3.19Å
697S58.6Low55.8Low76 Ų76100 Ų10053%0.53151%0.514SS..Hα-helixtrans-66.6-22.8177.6-163.60000112.6Q693 N694 E695 P701Q693-S697 WeakPolarHBondContact O-CB 3.35Å; Q693-S697 PolarHBondContact O-N 2.74Å; N694-S697 PolarHBondContact O-N 3.35Å; E695-S697 VanDerWaalsContact C-N 3.35Å; E695-S697 PolarHBondContact O-N 2.78Å; S697-P701 WeakPolarHBondContact O-CD 3.3Å; S697-P701 WeakPolarHBondContact O-CG 3.49Å
698Q70.9Confident57.3Low126 Ų12698.6 Ų98.659%0.58951%0.514SS*.Hα-helixtrans-84.1-30.9170.1-71.6176.819.900112.6N694 E695 Y696N694-Q698 VanDerWaalsContact O-CG 3.3Å; N694-Q698 WeakPolarHBondContact O-CG 3.19Å; N694-Q698 PolarHBondContact O-N 3.31Å; E695-Q698 PolarHBondContact O-N 3.16Å; Y696-Q698 PolarHBondContact O-N 2.97Å
699L58Low58.9Low91 Ų91100 Ų10048%0.47652%0.518SS..Hα-helixtrans-76.9-38.3177.9-85.8158.8000112.8E695 Y696 K702 T703E695-L699 PolarHBondContact O-N 3.37Å; Y696-L699 PolarHBondContact O-N 2.87Å; L699-K702 WeakPolarHBondContact O-CB 3.48Å; L699-K702 PolarHBondContact O-N 3.5Å; L699-K702 VanDerWaalsContact O-N 3.14Å; L699-T703 PolarHBondContact O-N 3.15Å; L699-T703 PolarHBondContact O-OG1 2.88Å
700V53.8Low59.7Low70 Ų70102.4 Ų102.442%0.42452%0.52SS..Hα-helixtrans-53.6-54.1-179.6168.50000112Y696 K702 T703 E704Y696-V700 VanDerWaalsContact O-CG2 3.22Å; Y696-V700 WeakPolarHBondContact O-CG2 3.04Å; Y696-V700 PolarHBondContact O-N 3.19Å; V700-K702 VanDerWaalsContact C-N 3.28Å; V700-K702 PolarHBondContact O-N 3.29Å; V700-T703 CarbonylContact O-C 3.56Å; V700-T703 PolarHBondContact O-N 3.45Å; V700-E704 HydrophobicContact CG1-CG 4.31Å; V700-E704 WeakPolarHBondContact O-CG 3.4Å; V700-E704 PolarHBondContact O-N 3.44Å
701P64.7Low60.6Low63 Ų63102 Ų10241%0.40952%0.518SS..Hα-helixtrans-64.6-29.8179.221-30.1000113.1S697 T705S697-P701 WeakPolarHBondContact O-CD 3.3Å; S697-P701 WeakPolarHBondContact O-CG 3.49Å; P701-T705 WeakPolarHBondContact O-CB 3.44Å; P701-T705 WeakPolarHBondContact O-CG2 3.23Å; P701-T705 PolarHBondContact O-N 3.29Å; P701-T705 PolarHBondContact O-OG1 3.5Å
702K73.6Confident62Low144 Ų144105 Ų10563%0.62653%0.528SS*.Hα-helixtrans-67.2-39.1171.2-78.2-176.7176.9178.50112.3L699 V700 T705 M706L699-K702 WeakPolarHBondContact O-CB 3.48Å; L699-K702 PolarHBondContact O-N 3.5Å; L699-K702 VanDerWaalsContact O-N 3.14Å; V700-K702 VanDerWaalsContact C-N 3.28Å; V700-K702 PolarHBondContact O-N 3.29Å; K702-T705 VanDerWaalsContact CA-OG1 3.3Å; K702-T705 WeakPolarHBondContact CA-OG1 3.2Å; K702-T705 PolarHBondContact O-OG1 3.49Å; K702-M706 WeakPolarHBondContact O-CB 3.42Å; K702-M706 WeakPolarHBondContact O-CG 3.39Å; K702-M706 PolarHBondContact O-N 2.65Å
703T58.5Low62.9Low86 Ų86105 Ų10553%0.52853%0.53SS..Hα-helixtrans-74.1-38.7-179.4-38.20000110.5L699 V700 M706 S707L699-T703 PolarHBondContact O-N 3.15Å; L699-T703 PolarHBondContact O-OG1 2.88Å; V700-T703 CarbonylContact O-C 3.56Å; V700-T703 PolarHBondContact O-N 3.45Å; T703-M706 PolarHBondContact O-N 2.97Å; T703-S707 WeakPolarHBondContact O-CB 3.29Å; T703-S707 PolarHBondContact O-N 3.33Å
704E61.9Low63.4Low119 Ų119102.2 Ų102.256%0.55652%0.521SS*.Hα-helixtrans-64-43.7173-75.3178.8161.900111.5V700 S707 M708V700-E704 HydrophobicContact CG1-CG 4.31Å; V700-E704 WeakPolarHBondContact O-CG 3.4Å; V700-E704 PolarHBondContact O-N 3.44Å; E704-S707 PolarHBondContact O-N 2.94Å; E704-M708 WeakPolarHBondContact O-CB 3.5Å; E704-M708 VanDerWaalsContact O-CG 3.31Å; E704-M708 WeakPolarHBondContact O-CG 3.45Å; E704-M708 PolarHBondContact O-N 3.28Å
705T75.4Confident64Low81 Ų81100.4 Ų100.450%0.49752%0.519SS..Hα-helixtrans-63.8-42.8175.742.20000112.4P701 K702 S707 M708 E709P701-T705 WeakPolarHBondContact O-CB 3.44Å; P701-T705 WeakPolarHBondContact O-CG2 3.23Å; P701-T705 PolarHBondContact O-N 3.29Å; P701-T705 PolarHBondContact O-OG1 3.5Å; K702-T705 VanDerWaalsContact CA-OG1 3.3Å; K702-T705 WeakPolarHBondContact CA-OG1 3.2Å; K702-T705 PolarHBondContact O-OG1 3.49Å; T705-S707 VanDerWaalsContact C-N 3.35Å; T705-M708 PolarHBondContact O-N 2.86Å; T705-E709 PolarHBondContact O-N 3.33Å
706M67Low65Low111 Ų11199.9 Ų99.955%0.54752%0.519SS..Hα-helixtrans-62.5-39.9172.7-75-177.665.700112.5K702 T703 E709 H710K702-M706 WeakPolarHBondContact O-CB 3.42Å; K702-M706 WeakPolarHBondContact O-CG 3.39Å; K702-M706 PolarHBondContact O-N 2.65Å; T703-M706 PolarHBondContact O-N 2.97Å; M706-E709 PolarHBondContact O-N 3.44Å; M706-H710 PolarHBondContact O-N 3.38Å
707S55.3Low65.5Low62 Ų6297.9 Ų97.943%0.43452%0.516SS..Hα-helixtrans-65.1-43176.1-162.80000111.2T703 E704 T705 E709 H710 D711T703-S707 WeakPolarHBondContact O-CB 3.29Å; T703-S707 PolarHBondContact O-N 3.33Å; E704-S707 PolarHBondContact O-N 2.94Å; T705-S707 VanDerWaalsContact C-N 3.35Å; S707-E709 VanDerWaalsContact C-N 3.31Å; S707-E709 PolarHBondContact O-N 3.46Å; S707-H710 PolarHBondContact O-N 2.85Å; S707-D711 WeakPolarHBondContact O-CB 3.1Å; S707-D711 VanDerWaalsContact O-CG 3.24Å; S707-D711 PolarHBondContact O-N 2.79Å
708M73Confident65.6Low118 Ų118100.1 Ų100.158%0.58152%0.518SS*.Hα-helixtrans-64.9-33.4176-71.3-176.490.500112.6E704 T705 K712E704-M708 WeakPolarHBondContact O-CB 3.5Å; E704-M708 VanDerWaalsContact O-CG 3.31Å; E704-M708 WeakPolarHBondContact O-CG 3.45Å; E704-M708 PolarHBondContact O-N 3.28Å; T705-M708 PolarHBondContact O-N 2.86Å; M708-K712 WeakPolarHBondContact O-CB 3.15Å; M708-K712 VanDerWaalsContact O-CG 3.31Å; M708-K712 WeakPolarHBondContact O-CG 3.24Å; M708-K712 PolarHBondContact O-N 2.98Å
709E72.9Confident65.8Low135 Ų13599.1 Ų99.163%0.63151%0.513SS*.Hα-helixtrans-66.4-45.8171.7-91.9179.9161.300111.6T705 M706 S707 D711 K712 E713T705-E709 PolarHBondContact O-N 3.33Å; M706-E709 PolarHBondContact O-N 3.44Å; S707-E709 VanDerWaalsContact C-N 3.31Å; S707-E709 PolarHBondContact O-N 3.46Å; E709-D711 VanDerWaalsContact C-N 3.35Å; E709-D711 PolarHBondContact O-N 3.39Å; E709-K712 PolarHBondContact O-N 3.39Å; E709-E713 WeakPolarHBondContact O-CB 3.34Å; E709-E713 PolarHBondContact O-N 2.81Å
710H58.7Low66.5Low107 Ų107100.2 Ų100.250%0.49552%0.516SS..Hα-helixtrans-64-37.4175.4-79-41.4000113M706 S707 E713 T714M706-H710 PolarHBondContact O-N 3.38Å; S707-H710 PolarHBondContact O-N 2.85Å; H710-E713 IonicContact ND1-OE2 3.1Å; H710-E713 PolarHBondContact O-N 2.78Å; H710-T714 WeakPolarHBondContact O-CB 3.24Å; H710-T714 PolarHBondContact O-N 2.81Å; H710-T714 PolarHBondContact O-OG1 3.49Å
711D61.4Low66.5Low99 Ų99104 Ų10453%0.52952%0.523SS..Hα-helixtrans-67.2-38.2176.1-69.7-21.8000111.2S707 E709 T714 A715S707-D711 WeakPolarHBondContact O-CB 3.1Å; S707-D711 VanDerWaalsContact O-CG 3.24Å; S707-D711 PolarHBondContact O-N 2.79Å; E709-D711 VanDerWaalsContact C-N 3.35Å; E709-D711 PolarHBondContact O-N 3.39Å; D711-T714 PolarHBondContact O-N 3.2Å; D711-A715 WeakPolarHBondContact O-CB 3.29Å; D711-A715 PolarHBondContact O-N 3.44Å
712K75.9Confident66.6Low139 Ų139104.7 Ų104.760%0.60452%0.523SS*.Hα-helixtrans-64.7-44.1172.8-78175.5-177.9177.60112.2M708 E709 T714 A715 I716M708-K712 WeakPolarHBondContact O-CB 3.15Å; M708-K712 VanDerWaalsContact O-CG 3.31Å; M708-K712 WeakPolarHBondContact O-CG 3.24Å; M708-K712 PolarHBondContact O-N 2.98Å; E709-K712 PolarHBondContact O-N 3.39Å; K712-T714 VanDerWaalsContact C-N 3.33Å; K712-A715 PolarHBondContact O-N 2.94Å; K712-I716 VanDerWaalsContact O-CG1 3.27Å; K712-I716 WeakPolarHBondContact O-CG1 3.4Å; K712-I716 PolarHBondContact O-N 3.34Å
713E68.6Low66.6Low111 Ų111102 Ų10252%0.51952%0.515SS..Hα-helixtrans-63.6-41.9177.7-164.5174.7-159.200110.7E709 H710 I716 I717E709-E713 WeakPolarHBondContact O-CB 3.34Å; E709-E713 PolarHBondContact O-N 2.81Å; H710-E713 IonicContact ND1-OE2 3.1Å; H710-E713 PolarHBondContact O-N 2.78Å; E713-I716 PolarHBondContact O-N 3.22Å; E713-I717 HydrophobicContact CG-CD1 4.33Å; E713-I717 VanDerWaalsContact O-CG1 3.27Å; E713-I717 WeakPolarHBondContact O-CG1 3.22Å; E713-I717 PolarHBondContact O-N 3.45Å
714T55.1Low66.7Low68 Ų68102.9 Ų102.942%0.41752%0.516SS..Hα-helixtrans-62.1-45.4174.6-53.80000111.3H710 D711 K712 I716 I717 E718H710-T714 WeakPolarHBondContact O-CB 3.24Å; H710-T714 PolarHBondContact O-N 2.81Å; H710-T714 PolarHBondContact O-OG1 3.49Å; D711-T714 PolarHBondContact O-N 3.2Å; K712-T714 VanDerWaalsContact C-N 3.33Å; T714-I716 VanDerWaalsContact C-N 3.34Å; T714-I716 PolarHBondContact O-N 2.81Å; T714-I717 PolarHBondContact O-N 3.15Å; T714-E718 WeakPolarHBondContact O-CG 3.12Å; T714-E718 PolarHBondContact O-N 2.67Å
715A73.1Confident66.7Low53 Ų5399.2 Ų99.244%0.43850%0.503SS..Hα-helixtrans-63.6-36.2177.100000112.9D711 K712 E718 Q719D711-A715 WeakPolarHBondContact O-CB 3.29Å; D711-A715 PolarHBondContact O-N 3.44Å; K712-A715 PolarHBondContact O-N 2.94Å; A715-E718 PolarHBondContact O-N 2.92Å; A715-Q719 WeakPolarHBondContact O-CB 3.49Å; A715-Q719 PolarHBondContact O-N 3.45Å
716I80.3Confident66.3Low102 Ų102101.1 Ų101.152%0.52351%0.506SS..Hα-helixtrans-65.7-44.5173.7-69164.1000110.4K712 E713 T714 E718 Q719 Q720K712-I716 VanDerWaalsContact O-CG1 3.27Å; K712-I716 WeakPolarHBondContact O-CG1 3.4Å; K712-I716 PolarHBondContact O-N 3.34Å; E713-I716 PolarHBondContact O-N 3.22Å; T714-I716 VanDerWaalsContact C-N 3.34Å; T714-I716 PolarHBondContact O-N 2.81Å; I716-E718 VanDerWaalsContact C-N 3.35Å; I716-Q719 PolarHBondContact O-N 2.83Å; I716-Q720 WeakPolarHBondContact O-CB 3.48Å; I716-Q720 WeakPolarHBondContact O-CG 3.36Å; I716-Q720 PolarHBondContact O-N 3.38Å
717I59.2Low66.4Low95 Ų9599.6 Ų99.649%0.48750%0.503SS..Hα-helixtrans-62.4-43.2177-68.7165.4000110.4E713 T714 Q720 W721E713-I717 HydrophobicContact CG-CD1 4.33Å; E713-I717 VanDerWaalsContact O-CG1 3.27Å; E713-I717 WeakPolarHBondContact O-CG1 3.22Å; E713-I717 PolarHBondContact O-N 3.45Å; T714-I717 PolarHBondContact O-N 3.15Å; I717-Q720 PolarHBondContact O-N 3.09Å; I717-W721 VanDerWaalsContact O-CB 3.31Å; I717-W721 WeakPolarHBondContact O-CB 3.49Å; I717-W721 PolarHBondContact O-N 3.35Å
718E61.2Low66.9Low122 Ų12299.1 Ų99.157%0.5750%0.497SS*.Hα-helixtrans-62-44176.1-75.9-179.4168.200111.8T714 A715 I716 W721 I722T714-E718 WeakPolarHBondContact O-CG 3.12Å; T714-E718 PolarHBondContact O-N 2.67Å; A715-E718 PolarHBondContact O-N 2.92Å; I716-E718 VanDerWaalsContact C-N 3.35Å; E718-W721 WeakPolarHBondContact O-CB 3.1Å; E718-W721 PolarHBondContact O-N 2.63Å; E718-W721 VanDerWaalsContact O-N 3.17Å; E718-I722 WeakPolarHBondContact O-CG1 3.22Å; E718-I722 PolarHBondContact O-N 3.05Å
719Q74.7Confident66.7Low105 Ų10599.2 Ų99.249%0.49150%0.497SS..Hα-helixtrans-63.8-43.8176.8-169.963.340.800111.8A715 I716 W721 I722 D723A715-Q719 WeakPolarHBondContact O-CB 3.49Å; A715-Q719 PolarHBondContact O-N 3.45Å; I716-Q719 PolarHBondContact O-N 2.83Å; Q719-W721 PolarHBondContact O-N 3.32Å; Q719-I722 PolarHBondContact O-N 3.34Å; Q719-D723 PolarHBondContact O-N 3.27Å
720Q71.4Confident66.6Low115 Ų11596.4 Ų96.454%0.53749%0.491SS..Hα-helixtrans-59.8-37173.6-74.6176.8-9.500111.7I716 I717 L724I716-Q720 WeakPolarHBondContact O-CB 3.48Å; I716-Q720 WeakPolarHBondContact O-CG 3.36Å; I716-Q720 PolarHBondContact O-N 3.38Å; I717-Q720 PolarHBondContact O-N 3.09Å; Q720-L724 WeakPolarHBondContact O-CB 3.49Å; Q720-L724 PolarHBondContact O-N 3.38Å
721W54.4Low66.7Low149 Ų14996.2 Ų96.256%0.56449%0.493SS*.Hα-helixtrans-70.9-37.2179-156.382.2000112.4I717 E718 Q719 L724 C725I717-W721 VanDerWaalsContact O-CB 3.31Å; I717-W721 WeakPolarHBondContact O-CB 3.49Å; I717-W721 PolarHBondContact O-N 3.35Å; E718-W721 WeakPolarHBondContact O-CB 3.1Å; E718-W721 PolarHBondContact O-N 2.63Å; E718-W721 VanDerWaalsContact O-N 3.17Å; Q719-W721 PolarHBondContact O-N 3.32Å; W721-L724 PolarHBondContact O-N 3.27Å; W721-C725 VanDerWaalsContact CE3-SG 3.55Å; W721-C725 WeakPolarHBondContact CZ3-SG 3.41Å; W721-C725 PolarHBondContact O-N 2.86Å; W721-C725 PolarHBondContact O-SG 3.18Å
722I67.6Low67.1Low78 Ų7897 Ų9740%0.449%0.493SS..Hα-helixtrans-65.2-45.6173.4-68.5164.7000110.7E718 Q719 L724 C725 H726E718-I722 WeakPolarHBondContact O-CG1 3.22Å; E718-I722 PolarHBondContact O-N 3.05Å; Q719-I722 PolarHBondContact O-N 3.34Å; I722-L724 VanDerWaalsContact C-N 3.32Å; I722-L724 PolarHBondContact O-N 3.44Å; I722-C725 WeakPolarHBondContact O-CB 3.14Å; I722-C725 PolarHBondContact O-N 3.16Å; I722-H726 PolarHBondContact O-N 2.82Å
723D72.9Confident67.1Low88 Ų8896.6 Ų96.647%0.47149%0.493SS..Hα-helixtrans-61.8-41.8177.3-68.7-16.4000111Q719 H726 T727Q719-D723 PolarHBondContact O-N 3.27Å; D723-H726 PolarHBondContact O-N 3.21Å; D723-T727 PolarHBondContact O-N 3.27Å; D723-T727 VanDerWaalsContact O-N 3.1Å
724L60.6Low67.3Low103 Ų10396.9 Ų96.954%0.53950%0.495SS..Hα-helixtrans-58.8-50.2172.8-110.7145.7000111.3Q720 W721 I722 H726 T727 T728Q720-L724 WeakPolarHBondContact O-CB 3.49Å; Q720-L724 PolarHBondContact O-N 3.38Å; W721-L724 PolarHBondContact O-N 3.27Å; I722-L724 VanDerWaalsContact C-N 3.32Å; I722-L724 PolarHBondContact O-N 3.44Å; L724-H726 VanDerWaalsContact C-N 3.31Å; L724-H726 PolarHBondContact O-N 3.31Å; L724-T727 PolarHBondContact O-N 3.46Å; L724-T727 PolarHBondContact O-OG1 2.83Å; L724-T728 PolarHBondContact O-N 2.81Å; L724-T728 PolarHBondContact O-OG1 3.18Å
725C62.4Low68Low43 Ų4398.5 Ų98.529%0.29150%0.5SS..Hα-helixtrans-55.5-44.2178.2-71.10000112.7W721 I722 T727 T728 E729W721-C725 VanDerWaalsContact CE3-SG 3.55Å; W721-C725 WeakPolarHBondContact CZ3-SG 3.41Å; W721-C725 PolarHBondContact O-N 2.86Å; W721-C725 PolarHBondContact O-SG 3.18Å; I722-C725 WeakPolarHBondContact O-CB 3.14Å; I722-C725 PolarHBondContact O-N 3.16Å; C725-T727 VanDerWaalsContact C-N 3.32Å; C725-T727 PolarHBondContact O-N 3.36Å; C725-T728 PolarHBondContact O-N 3.48Å; C725-T728 PolarHBondContact O-OG1 3.47Å; C725-E729 PolarHBondContact O-N 2.83Å
726H67Low68.5Low121 Ų12198.7 Ų98.756%0.5650%0.499SS*.Hα-helixtrans-63.3-36.9176.6-83.2-48.8000112.8I722 D723 L724 E729 C730I722-H726 PolarHBondContact O-N 2.82Å; D723-H726 PolarHBondContact O-N 3.21Å; L724-H726 VanDerWaalsContact C-N 3.31Å; L724-H726 PolarHBondContact O-N 3.31Å; H726-E729 IonicContact ND1-OE2 3.67Å; H726-C730 WeakPolarHBondContact O-CB 3.24Å; H726-C730 PolarHBondContact O-N 3.29Å
727T69.5Low68.5Low78 Ų7898.7 Ų98.748%0.47950%0.497SS..Hα-helixtrans-67.7-39.217458.90000112.5D723 L724 C725 C730 L731D723-T727 PolarHBondContact O-N 3.27Å; D723-T727 VanDerWaalsContact O-N 3.1Å; L724-T727 PolarHBondContact O-N 3.46Å; L724-T727 PolarHBondContact O-OG1 2.83Å; C725-T727 VanDerWaalsContact C-N 3.32Å; C725-T727 PolarHBondContact O-N 3.36Å; T727-C730 WeakPolarHBondContact O-CB 3.18Å; T727-C730 PolarHBondContact O-N 3.44Å; T727-L731 WeakPolarHBondContact O-CG 3.12Å; T727-L731 PolarHBondContact O-N 2.76Å
728T65.5Low69.4Low52 Ų52100.3 Ų100.332%0.31950%0.501SS..Hα-helixtrans-64.7-45177.8-13.10000111.7L724 C725 C730 L731 E732L724-T728 PolarHBondContact O-N 2.81Å; L724-T728 PolarHBondContact O-OG1 3.18Å; C725-T728 PolarHBondContact O-N 3.48Å; C725-T728 PolarHBondContact O-OG1 3.47Å; T728-C730 VanDerWaalsContact C-N 3.28Å; T728-C730 PolarHBondContact O-N 3.47Å; T728-L731 PolarHBondContact O-N 2.86Å; T728-E732 WeakPolarHBondContact O-CG 3.37Å; T728-E732 PolarHBondContact O-N 2.82Å
729E68Low70.3Confident121 Ų121100.3 Ų100.357%0.56550%0.501SS*.Hα-helixtrans-59.8-39.8175.8-73.9-179.6167.400111.6C725 H726 E732 H733C725-E729 PolarHBondContact O-N 2.83Å; H726-E729 IonicContact ND1-OE2 3.67Å; E729-E732 PolarHBondContact O-N 3.06Å; E729-H733 WeakPolarHBondContact O-CB 3.48Å; E729-H733 PolarHBondContact O-N 3.22Å
730C70.5Confident70.8Confident75 Ų7599.6 Ų99.651%0.50750%0.501SS..Hα-helixtrans-64.6-41.1176.9-154.30000111.7H726 T727 T728 H733 Q734H726-C730 WeakPolarHBondContact O-CB 3.24Å; H726-C730 PolarHBondContact O-N 3.29Å; T727-C730 WeakPolarHBondContact O-CB 3.18Å; T727-C730 PolarHBondContact O-N 3.44Å; T728-C730 VanDerWaalsContact C-N 3.28Å; T728-C730 PolarHBondContact O-N 3.47Å; C730-H733 PolarHBondContact O-N 3.43Å; C730-Q734 WeakPolarHBondContact O-CG 3.36Å; C730-Q734 PolarHBondContact O-N 3.03Å; C730-Q734 VanDerWaalsContact O-N 3.09Å
731L62.3Low71.1Confident103 Ų10398.5 Ų98.554%0.53950%0.496SS..Hα-helixtrans-68.8-41.5177.2-71.5170.7000112.5T727 T728 H733 Q734 L735T727-L731 WeakPolarHBondContact O-CG 3.12Å; T727-L731 PolarHBondContact O-N 2.76Å; T728-L731 PolarHBondContact O-N 2.86Å; L731-H733 VanDerWaalsContact C-N 3.28Å; L731-H733 PolarHBondContact O-N 3.18Å; L731-Q734 PolarHBondContact O-N 3.07Å; L731-L735 WeakPolarHBondContact O-CB 3.23Å; L731-L735 PolarHBondContact O-N 3.13Å
732E70Confident72.1Confident115 Ų11597.1 Ų97.154%0.53750%0.498SS..Hα-helixtrans-60-40.6174.6-75.6-176.517100111.4T728 E729 L735 S736T728-E732 WeakPolarHBondContact O-CG 3.37Å; T728-E732 PolarHBondContact O-N 2.82Å; E729-E732 PolarHBondContact O-N 3.06Å; E732-L735 PolarHBondContact O-N 3.46Å; E732-S736 WeakPolarHBondContact O-CB 3.1Å; E732-S736 PolarHBondContact O-N 3.35Å
733H75.6Confident72.9Confident131 Ų13199.8 Ų99.861%0.60651%0.507SS*.Hα-helixtrans-64.8-42.3176.3-161.164.6000112.3E729 C730 L731 M737E729-H733 WeakPolarHBondContact O-CB 3.48Å; E729-H733 PolarHBondContact O-N 3.22Å; C730-H733 PolarHBondContact O-N 3.43Å; L731-H733 VanDerWaalsContact C-N 3.28Å; L731-H733 PolarHBondContact O-N 3.18Å; H733-M737 WeakPolarHBondContact O-CG 3.42Å; H733-M737 PolarHBondContact O-N 3.08Å; H733-M737 VanDerWaalsContact O-N 3.13Å
734Q72.2Confident73.3Confident117 Ų117104.1 Ų104.155%0.54752%0.517SS..Hα-helixtrans-63.9-39.9174.8-72.5-179.22.800112.4C730 L731 M737 K738C730-Q734 WeakPolarHBondContact O-CG 3.36Å; C730-Q734 PolarHBondContact O-N 3.03Å; C730-Q734 VanDerWaalsContact O-N 3.09Å; L731-Q734 PolarHBondContact O-N 3.07Å; Q734-M737 PolarHBondContact O-N 3.35Å; Q734-K738 WeakPolarHBondContact O-CG 3.4Å; Q734-K738 PolarHBondContact O-N 2.81Å
735L70.5Confident74.2Confident102 Ų102104.3 Ų104.353%0.53452%0.518SS..Hα-helixtrans-68.9-40.8-178.5-157.3149.3000111.3L731 E732 K738 Q739L731-L735 WeakPolarHBondContact O-CB 3.23Å; L731-L735 PolarHBondContact O-N 3.13Å; E732-L735 PolarHBondContact O-N 3.46Å; L735-K738 PolarHBondContact O-N 3.13Å; L735-Q739 HydrophobicContact CD2-CG 4.19Å; L735-Q739 WeakPolarHBondContact O-CG 3.26Å; L735-Q739 PolarHBondContact O-N 3.03Å
736S82.2Confident75.2Confident58 Ų58105.7 Ų105.741%0.40653%0.525SS..Hα-helixtrans-58.5-48.2172.2-178.90000112E732 K738 Q739 D740E732-S736 WeakPolarHBondContact O-CB 3.1Å; E732-S736 PolarHBondContact O-N 3.35Å; S736-K738 VanDerWaalsContact C-N 3.27Å; S736-K738 PolarHBondContact O-N 3.09Å; S736-Q739 PolarHBondContact O-N 3.41Å; S736-Q739 VanDerWaalsContact O-N 3.15Å; S736-D740 PolarHBondContact O-N 3.4Å
737M80.4Confident76.1Confident101 Ų101103.9 Ų103.950%0.49852%0.52SS..Hα-helixtrans-57.5-39.8175.7-76.3-67.3-59.400112.5H733 Q734 D740 E741H733-M737 WeakPolarHBondContact O-CG 3.42Å; H733-M737 PolarHBondContact O-N 3.08Å; H733-M737 VanDerWaalsContact O-N 3.13Å; Q734-M737 PolarHBondContact O-N 3.35Å; M737-D740 PolarHBondContact O-N 3.17Å; M737-E741 PolarHBondContact O-N 2.63Å; M737-E741 VanDerWaalsContact O-N 3.1Å
738K79.3Confident76.8Confident130 Ų130104.6 Ų104.657%0.56552%0.52SS*.Hα-helixtrans-70.6-35.8178.2-71.5-73.9161.2-1560112.9Q734 L735 S736 E741 L742Q734-K738 WeakPolarHBondContact O-CG 3.4Å; Q734-K738 PolarHBondContact O-N 2.81Å; L735-K738 PolarHBondContact O-N 3.13Å; S736-K738 VanDerWaalsContact C-N 3.27Å; S736-K738 PolarHBondContact O-N 3.09Å; K738-E741 IonicContact NZ-OE2 3.3Å; K738-E741 PolarHBondContact NZ-OE2 2.95Å; K738-E741 PolarHBondContact O-N 2.92Å; K738-L742 WeakPolarHBondContact O-CB 3.41Å; K738-L742 PolarHBondContact O-N 3.19Å
739Q80.3Confident77.3Confident122 Ų122107.4 Ų107.457%0.5753%0.532SS*.Hα-helixtrans-64.6-40.7174.1-74.4177.7-1300111.7L735 S736 L742 K743L735-Q739 HydrophobicContact CD2-CG 4.19Å; L735-Q739 WeakPolarHBondContact O-CG 3.26Å; L735-Q739 PolarHBondContact O-N 3.03Å; S736-Q739 PolarHBondContact O-N 3.41Å; S736-Q739 VanDerWaalsContact O-N 3.15Å; Q739-L742 PolarHBondContact O-N 3.41Å; Q739-K743 PolarHBondContact O-N 2.96Å
740D83.6Confident77.9Confident90 Ų90107 Ų10748%0.48153%0.53SS..Hα-helixtrans-65.4-39.8175.7-85.6-10.5000112.5S736 M737 K743 R744S736-D740 PolarHBondContact O-N 3.4Å; M737-D740 PolarHBondContact O-N 3.17Å; D740-K743 PolarHBondContact O-N 3.45Å; D740-R744 WeakPolarHBondContact O-CG 3.45Å; D740-R744 PolarHBondContact O-N 3.18Å; D740-R744 VanDerWaalsContact O-N 3.08Å
741E78.7Confident78.4Confident92 Ų92108.1 Ų108.143%0.4353%0.53SS..Hα-helixtrans-60.9-44.3172.3-77.3-178.4163.200111.9M737 K738 K743 R744 L745M737-E741 PolarHBondContact O-N 2.63Å; M737-E741 VanDerWaalsContact O-N 3.1Å; K738-E741 IonicContact NZ-OE2 3.3Å; K738-E741 PolarHBondContact NZ-OE2 2.95Å; K738-E741 PolarHBondContact O-N 2.92Å; E741-K743 VanDerWaalsContact C-N 3.32Å; E741-K743 PolarHBondContact O-N 3.4Å; E741-R744 PolarHBondContact O-N 3.17Å; E741-L745 PolarHBondContact O-N 3.45Å
742L74.6Confident79Confident119 Ų119109.8 Ų109.862%0.62353%0.533SS*.Hα-helixtrans-64-39.9179.8-157.6106.3000111.6K738 Q739 L745 T746K738-L742 WeakPolarHBondContact O-CB 3.41Å; K738-L742 PolarHBondContact O-N 3.19Å; Q739-L742 PolarHBondContact O-N 3.41Å; L742-L745 PolarHBondContact O-N 3.01Å; L742-T746 PolarHBondContact O-N 3.33Å; L742-T746 PolarHBondContact O-OG1 3.3Å
743K84.7Confident79.2Confident135 Ų135109.9 Ų109.959%0.58754%0.535SS*.Hα-helixtrans-62.6-46.2176.2-166.3174.1-177.61800111.2Q739 D740 E741 L745 T746 D747Q739-K743 PolarHBondContact O-N 2.96Å; D740-K743 PolarHBondContact O-N 3.45Å; E741-K743 VanDerWaalsContact C-N 3.32Å; E741-K743 PolarHBondContact O-N 3.4Å; K743-L745 VanDerWaalsContact C-N 3.33Å; K743-L745 PolarHBondContact O-N 3.43Å; K743-T746 WeakPolarHBondContact O-CB 3.48Å; K743-T746 PolarHBondContact O-N 3.47Å; K743-T746 VanDerWaalsContact O-N 3.12Å; K743-D747 PolarHBondContact O-N 3.37Å
744R82.6Confident79.3Confident179 Ų179109 Ų10968%0.67553%0.531SS*.Hα-helixtrans-58.8-41.8174.7-71.9-179.3-172.8-170.63.7112.7D740 E741 T746 D747 I748D740-R744 WeakPolarHBondContact O-CG 3.45Å; D740-R744 PolarHBondContact O-N 3.18Å; D740-R744 VanDerWaalsContact O-N 3.08Å; E741-R744 PolarHBondContact O-N 3.17Å; R744-T746 VanDerWaalsContact C-N 3.31Å; R744-D747 PolarHBondContact O-N 3.23Å; R744-I748 VanDerWaalsContact O-CG1 3.27Å; R744-I748 WeakPolarHBondContact O-CG1 3.44Å; R744-I748 PolarHBondContact O-N 3.07Å
745L79.1Confident79.5Confident107 Ų107107.2 Ų107.256%0.5653%0.528SS*.Hα-helixtrans-65.3-36.8176.9-75.5170.6000112.2E741 L742 K743 I748 L749E741-L745 PolarHBondContact O-N 3.45Å; L742-L745 PolarHBondContact O-N 3.01Å; K743-L745 VanDerWaalsContact C-N 3.33Å; K743-L745 PolarHBondContact O-N 3.43Å; L745-I748 PolarHBondContact O-N 3.27Å; L745-L749 PolarHBondContact O-N 3.22Å
746T81.8Confident79.3Confident71 Ų71107.8 Ų107.844%0.43653%0.531SS..Hα-helixtrans-65.5-44.7176.7-50.50000110.7L742 K743 R744 I748 L749 Q750L742-T746 PolarHBondContact O-N 3.33Å; L742-T746 PolarHBondContact O-OG1 3.3Å; K743-T746 WeakPolarHBondContact O-CB 3.48Å; K743-T746 PolarHBondContact O-N 3.47Å; K743-T746 VanDerWaalsContact O-N 3.12Å; R744-T746 VanDerWaalsContact C-N 3.31Å; T746-I748 PolarHBondContact O-N 3.15Å; T746-L749 PolarHBondContact O-N 3.45Å; T746-Q750 PolarHBondContact O-N 3.5Å
747D86.6Confident78.7Confident84 Ų84111.7 Ų111.745%0.44955%0.547SS..Hα-helixtrans-61.5-42.3176.3-64.3-21.1000111.4K743 R744 L749 Q750 I751K743-D747 PolarHBondContact O-N 3.37Å; R744-D747 PolarHBondContact O-N 3.23Å; D747-L749 PolarHBondContact O-N 3.41Å; D747-Q750 PolarHBondContact O-N 3.47Å; D747-I751 WeakPolarHBondContact O-CG1 3.45Å; D747-I751 PolarHBondContact O-N 2.91Å
748I85Confident77.7Confident93 Ų93115.5 Ų115.548%0.47756%0.564SS.*Hα-helixtrans-63.2-41.7176.1-68.5165.2000111.6R744 L745 T746 Q750 I751 K752R744-I748 VanDerWaalsContact O-CG1 3.27Å; R744-I748 WeakPolarHBondContact O-CG1 3.44Å; R744-I748 PolarHBondContact O-N 3.07Å; L745-I748 PolarHBondContact O-N 3.27Å; T746-I748 PolarHBondContact O-N 3.15Å; I748-Q750 VanDerWaalsContact C-N 3.33Å; I748-I751 PolarHBondContact O-N 3Å; I748-K752 PolarHBondContact O-N 2.97Å
749L75.6Confident76.3Confident111 Ų111119.2 Ų119.258%0.58158%0.583SS**Hα-helixtrans-63.7-41177.2-90.2162.1000111.5L745 T746 D747 K752 M753L745-L749 PolarHBondContact O-N 3.22Å; T746-L749 PolarHBondContact O-N 3.45Å; D747-L749 PolarHBondContact O-N 3.41Å; L749-K752 PolarHBondContact O-N 3.2Å; L749-M753 PolarHBondContact O-N 2.95Å
750Q80Confident76.1Confident111 Ų111119.1 Ų119.152%0.51958%0.584SS.*Hα-helixtrans-66-43.6178.7-168.8155.3-12.800111.6T746 D747 I748 K752 M753 E754T746-Q750 PolarHBondContact O-N 3.5Å; D747-Q750 PolarHBondContact O-N 3.47Å; I748-Q750 VanDerWaalsContact C-N 3.33Å; Q750-K752 VanDerWaalsContact C-N 3.32Å; Q750-K752 PolarHBondContact O-N 3.2Å; Q750-M753 PolarHBondContact O-N 3.1Å; Q750-E754 WeakPolarHBondContact O-CG 3.36Å; Q750-E754 PolarHBondContact O-N 3.46Å
751I82.3Confident75.7Confident100 Ų100120.6 Ų120.651%0.51359%0.589SS.*Hα-helixtrans-59.7-42.4173-66.6165.4000111D747 I748 M753 E754 V755D747-I751 WeakPolarHBondContact O-CG1 3.45Å; D747-I751 PolarHBondContact O-N 2.91Å; I748-I751 PolarHBondContact O-N 3Å; I751-M753 VanDerWaalsContact C-N 3.34Å; I751-M753 PolarHBondContact O-N 3.48Å; I751-E754 PolarHBondContact O-N 2.84Å; I751-V755 VanDerWaalsContact O-CG2 3.32Å; I751-V755 WeakPolarHBondContact O-CG2 3.11Å; I751-V755 PolarHBondContact O-N 3.29Å
752K74.6Confident75.5Confident137 Ų137122.2 Ų122.260%0.59660%0.598SS**Hα-helixtrans-64.7-36.3177.1-87.6-170173.3-1740113I748 L749 Q750 L756I748-K752 PolarHBondContact O-N 2.97Å; L749-K752 PolarHBondContact O-N 3.2Å; Q750-K752 VanDerWaalsContact C-N 3.32Å; Q750-K752 PolarHBondContact O-N 3.2Å; K752-L756 WeakPolarHBondContact O-CG 3.37Å; K752-L756 PolarHBondContact O-N 2.9Å; K752-L756 VanDerWaalsContact O-N 3.09Å
753M74.4Confident75.6Confident117 Ų117122.4 Ų122.458%0.57660%0.597SS**Hα-helixtrans-66.5-43.7174.9-79.2177.838.500111.4L749 Q750 I751 V755 L756 D757L749-M753 PolarHBondContact O-N 2.95Å; Q750-M753 PolarHBondContact O-N 3.1Å; I751-M753 VanDerWaalsContact C-N 3.34Å; I751-M753 PolarHBondContact O-N 3.48Å; M753-V755 VanDerWaalsContact C-N 3.3Å; M753-V755 PolarHBondContact O-N 3.43Å; M753-L756 PolarHBondContact O-N 3.21Å; M753-L756 VanDerWaalsContact O-N 3.1Å; M753-D757 PolarHBondContact O-N 3.04Å
754E77.4Confident75Confident114 Ų114121.6 Ų121.653%0.53360%0.597SS.*Hα-helixtrans-60.4-40.3176-72174.2179.600111.7Q750 I751 L756 D757 E758Q750-E754 WeakPolarHBondContact O-CG 3.36Å; Q750-E754 PolarHBondContact O-N 3.46Å; I751-E754 PolarHBondContact O-N 2.84Å; E754-L756 VanDerWaalsContact C-N 3.32Å; E754-L756 PolarHBondContact O-N 3.27Å; E754-D757 PolarHBondContact O-N 3.01Å; E754-E758 PolarHBondContact O-N 3.34Å
755V76.3Confident74.5Confident78 Ų78117.8 Ų117.847%0.47359%0.592SS.*Hα-helixtrans-67.1-31.7175.2173.40000112.6I751 M753I751-V755 VanDerWaalsContact O-CG2 3.32Å; I751-V755 WeakPolarHBondContact O-CG2 3.11Å; I751-V755 PolarHBondContact O-N 3.29Å; M753-V755 VanDerWaalsContact C-N 3.3Å; M753-V755 PolarHBondContact O-N 3.43Å
756L66.4Low74.2Confident114 Ų114118.6 Ų118.660%0.59759%0.594SS**Hα-helixtrans-75-32176.2-80.6165.6000112.4K752 M753 E754 E758K752-L756 WeakPolarHBondContact O-CG 3.37Å; K752-L756 PolarHBondContact O-N 2.9Å; K752-L756 VanDerWaalsContact O-N 3.09Å; M753-L756 PolarHBondContact O-N 3.21Å; M753-L756 VanDerWaalsContact O-N 3.1Å; E754-L756 VanDerWaalsContact C-N 3.32Å; E754-L756 PolarHBondContact O-N 3.27Å; L756-E758 VanDerWaalsContact C-N 3.33Å
757D68.3Low73.6Confident141 Ų141122.2 Ų122.275%0.75461%0.607SS**Hα-helixtrans-75.5-20.5176.4-78.6-19.3000112.8M753 E754M753-D757 PolarHBondContact O-N 3.04Å; E754-D757 PolarHBondContact O-N 3.01Å
758E60.7Low72.5Confident180 Ų180125.4 Ų125.484%0.84162%0.62SS**THydrogen-bonded Turntrans-84.1-11.2174.2-77.2-169.4163.700114.5E754 L756E754-E758 PolarHBondContact O-N 3.34Å; L756-E758 VanDerWaalsContact C-N 3.33Å
759Q49.5Very low71.4Confident209 Ų209128.4 Ų128.498%0.97763%0.633SS**  trans-93.90175-73.1-171.6-6.400112

Retrieved 759 of 759 residues in 262.2 ms (Link to these results)

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