A0A5K4FAX6_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAX6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 739 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
1M26Very low58.8Low238 Ų23893.1 Ų93.1100%1.17251%0.505SS*.  0113.30-79.1174.2167.200106.7P3M1-P3 WeakPolarHBondContact O-CD 3.36Å
2N27.8Very low60.8Low166 Ų16694.3 Ų94.389%0.88851%0.505SS*.  trans-69.6109.8177-82.7-9.8000108.4S4N2-S4 PolarHBondContact O-N 3.09Å; N2-S4 VanDerWaalsContact O-N 3.1Å
3P38.9Very low62.2Low106 Ų10687.1 Ų87.169%0.68847%0.466SS*.  trans-68.1111161.530.6-27.2000105M1 L5M1-P3 WeakPolarHBondContact O-CD 3.36Å; P3-L5 VanDerWaalsContact C-N 3.34Å; P3-L5 PolarHBondContact O-N 3.12Å
4S45.7Very low63.5Low114 Ų11485.8 Ų85.880%0.79745%0.454SS*.  trans-58.4105.5165.6430000106.4N2 N6N2-S4 PolarHBondContact O-N 3.09Å; N2-S4 VanDerWaalsContact O-N 3.1Å; S4-N6 PolarHBondContact O-N 3.19Å
5L55.4Low64.7Low69 Ų6991.3 Ų91.336%0.36147%0.466SS..  trans-60.7107.4174.1-109.393.7000107P3 L7 L57 I60P3-L5 VanDerWaalsContact C-N 3.34Å; P3-L5 PolarHBondContact O-N 3.12Å; L5-L7 HydrophobicContact CB-CG 4.2Å; L5-L7 HydrophobicContact CD2-CD2 3.89Å; L5-L7 HydrophobicContact CD2-CG 4.36Å; L5-L7 PolarHBondContact O-N 3.38Å; L5-L7 VanDerWaalsContact O-N 3.07Å; L5-L57 HydrophobicContact CD2-CD1 4.04Å; L5-I60 HydrophobicContact CD1-CD1 3.29Å; L5-I60 HydrophobicContact CD1-CG1 4.4Å; L5-I60 HydrophobicContact CD2-CD1 3.41Å; L5-I60 VanDerWaalsContact CD2-CD1 3.41Å; L5-I60 HydrophobicContact CG-CD1 3.68Å
6N64.7Low65.6Low90 Ų9088.2 Ų88.248%0.48145%0.451SS..  trans-69.7105.7167.4-173.2-43.9000106.6S4 D8 Q53S4-N6 PolarHBondContact O-N 3.19Å; N6-D8 VanDerWaalsContact CG-OD2 3.31Å; N6-D8 PolarHBondContact ND2-OD2 2.88Å; N6-D8 VanDerWaalsContact OD1-CB 3.22Å; N6-D8 WeakPolarHBondContact OD1-CB 3.21Å; N6-D8 PolarHBondContact OD1-N 2.74Å; N6-D8 PolarHBondContact OD1-OD2 3.24Å; N6-D8 VanDerWaalsContact OD1-OD2 3.05Å; N6-Q53 PolarHBondContact O-NE2 2.88Å; N6-Q53 PolarHBondContact O-OE1 3.33Å; N6-Q53 PolarHBondContact OD1-NE2 3.21Å
7L71.9Confident66.1Low31 Ų3184.6 Ų84.616%0.16243%0.431CS..  trans-102.17.8177.1-69.1168.7000111.4L5 A9 I10 Y11 L57L5-L7 HydrophobicContact CB-CG 4.2Å; L5-L7 HydrophobicContact CD2-CD2 3.89Å; L5-L7 HydrophobicContact CD2-CG 4.36Å; L5-L7 PolarHBondContact O-N 3.38Å; L5-L7 VanDerWaalsContact O-N 3.07Å; L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 2.78Å; L7-I10 HydrophobicContact CD2-CD1 3.74Å; L7-I10 PolarHBondContact O-N 2.83Å; L7-Y11 HydrophobicContact CB-CD2 3.89Å; L7-Y11 HydrophobicContact CB-CE2 3.62Å; L7-Y11 HydrophobicContact CD1-CE2 4.32Å; L7-Y11 WeakPolarHBondContact O-CD2 3.4Å; L7-Y11 PolarHBondContact O-N 3.19Å; L7-Y11 VanDerWaalsContact O-N 3.07Å; L7-L57 HydrophobicContact CD2-CD1 4.17Å
8D79.2Confident66.4Low103 Ų10388.4 Ų88.455%0.55144%0.444SS*.Hα-helixtrans-60.1-41.8-169.1-58.2-26.3000110.9N6 I10 Y11 E12N6-D8 VanDerWaalsContact CG-OD2 3.31Å; N6-D8 PolarHBondContact ND2-OD2 2.88Å; N6-D8 VanDerWaalsContact OD1-CB 3.22Å; N6-D8 WeakPolarHBondContact OD1-CB 3.21Å; N6-D8 PolarHBondContact OD1-N 2.74Å; N6-D8 PolarHBondContact OD1-OD2 3.24Å; N6-D8 VanDerWaalsContact OD1-OD2 3.05Å; D8-I10 VanDerWaalsContact C-N 3.34Å; D8-I10 PolarHBondContact O-N 3.29Å; D8-Y11 PolarHBondContact O-N 3.42Å; D8-E12 WeakPolarHBondContact O-CB 3.06Å; D8-E12 PolarHBondContact O-N 2.95Å
9A77.6Confident66.4Low7 Ų788.2 Ų88.26%0.05845%0.445CS..Hα-helixtrans-70.4-28.6179.500000112.7L7 A13 L46 T49 T50 Q53L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 2.78Å; A9-A13 WeakPolarHBondContact O-CB 3.39Å; A9-A13 PolarHBondContact O-N 3.3Å; A9-L46 HydrophobicContact CB-CD1 3.91Å; A9-T49 WeakPolarHBondContact CB-OG1 3.48Å; A9-T50 PolarHBondContact O-OG1 3.28Å; A9-Q53 VanDerWaalsContact CB-OE1 3.32Å
10I79.3Confident66.2Low0 Ų086.9 Ų86.90%044%0.439CS..Hα-helixtrans-68.1-45.2171.1-67.5170.3000110.4L7 D8 K14 T50 Q53 L57 L82 W85L7-I10 HydrophobicContact CD2-CD1 3.74Å; L7-I10 PolarHBondContact O-N 2.83Å; D8-I10 VanDerWaalsContact C-N 3.34Å; D8-I10 PolarHBondContact O-N 3.29Å; I10-K14 WeakPolarHBondContact O-CB 3.27Å; I10-K14 PolarHBondContact O-N 2.88Å; I10-T50 HydrophobicContact CG1-CG2 4.01Å; I10-Q53 HydrophobicContact CD1-CB 3.71Å; I10-Q53 HydrophobicContact CG1-CB 3.81Å; I10-Q53 VanDerWaalsContact N-OE1 3.14Å; I10-L57 HydrophobicContact CD1-CD2 4.2Å; I10-L82 HydrophobicContact CG2-CD2 3.79Å; I10-W85 HydrophobicContact CG2-CE3 4.2Å; I10-W85 HydrophobicContact CG2-CZ3 3.98Å
11Y80.3Confident65.7Low100 Ų10086.5 Ų86.539%0.39244%0.437SS..Hα-helixtrans-64-43.1178.6-75.3-68.4000112.1L7 D8 K14 R15 H78 L82L7-Y11 HydrophobicContact CB-CD2 3.89Å; L7-Y11 HydrophobicContact CB-CE2 3.62Å; L7-Y11 HydrophobicContact CD1-CE2 4.32Å; L7-Y11 WeakPolarHBondContact O-CD2 3.4Å; L7-Y11 PolarHBondContact O-N 3.19Å; L7-Y11 VanDerWaalsContact O-N 3.07Å; D8-Y11 PolarHBondContact O-N 3.42Å; Y11-K14 PolarHBondContact O-N 2.79Å; Y11-R15 VanDerWaalsContact O-CB 3.32Å; Y11-R15 WeakPolarHBondContact O-CB 3.42Å; Y11-R15 PolarHBondContact O-N 2.91Å; Y11-H78 AromaticContact CE1-CE1 3.63Å; Y11-H78 AromaticContact CZ-CE1 3.9Å; Y11-H78 PolarHBondContact OH-CE1 3.05Å; Y11-H78 VanDerWaalsContact OH-CE1 3.25Å; Y11-L82 HydrophobicContact CE1-CD2 4.47Å
12E82.3Confident66.6Low108 Ų10880.2 Ų80.251%0.50541%0.412SS..Hα-helixtrans-67.3-44.4178.9-166.5179179.600111.9D8 K14 R15 L16 L46D8-E12 WeakPolarHBondContact O-CB 3.06Å; D8-E12 PolarHBondContact O-N 2.95Å; E12-K14 PolarHBondContact O-N 3.39Å; E12-R15 WeakPolarHBondContact O-CB 3.37Å; E12-R15 PolarHBondContact O-N 3.45Å; E12-L16 WeakPolarHBondContact O-CG 3.41Å; E12-L16 PolarHBondContact O-N 3.25Å; E12-L46 HydrophobicContact CB-CD1 4.15Å; E12-L46 HydrophobicContact CB-CD2 4.28Å; E12-L46 HydrophobicContact CG-CD1 4.19Å; E12-L46 HydrophobicContact CG-CD2 3.84Å; E12-L46 VanDerWaalsContact OE2-CD1 3.28Å; E12-L46 WeakPolarHBondContact OE2-CD1 3.37Å
13A79.9Confident67.3Low0 Ų078.8 Ų78.80%040%0.398CS..Hα-helixtrans-64.3-41.7175.100000112.4A9 R15 L16 F17 F47 T50 W85A9-A13 WeakPolarHBondContact O-CB 3.39Å; A9-A13 PolarHBondContact O-N 3.3Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 3.26Å; A13-L16 PolarHBondContact O-N 3.38Å; A13-F17 WeakPolarHBondContact O-CD2 3.32Å; A13-F17 PolarHBondContact O-N 3.06Å; A13-F47 HydrophobicContact CB-CD1 4.11Å; A13-F47 HydrophobicContact CB-CE1 3.8Å; A13-T50 HydrophobicContact CB-CG2 3.7Å; A13-T50 VanDerWaalsContact CB-OG1 3.27Å; A13-T50 WeakPolarHBondContact CB-OG1 3.29Å; A13-W85 HydrophobicContact CB-CH2 4.06Å
14K80.1Confident67.4Low69 Ų6976.9 Ų76.930%0.338%0.379SS..Hα-helixtrans-63.9-36.9175.8-172.5173.3-179.31750111.4I10 Y11 E12 K18 L82 W85I10-K14 WeakPolarHBondContact O-CB 3.27Å; I10-K14 PolarHBondContact O-N 2.88Å; Y11-K14 PolarHBondContact O-N 2.79Å; E12-K14 PolarHBondContact O-N 3.39Å; K14-K18 WeakPolarHBondContact O-CB 3.45Å; K14-K18 PolarHBondContact O-N 3.32Å; K14-L82 HydrophobicContact CD-CD2 4.3Å; K14-W85 HydrophobicContact CB-CZ2 4.27Å
15R81.2Confident67.2Low169 Ų16976.1 Ų76.164%0.63837%0.37SS*.Hα-helixtrans-64.9-47.2172.9-178.4178.4178.8178.82.3111.5Y11 E12 A13 F17 K18 D19Y11-R15 VanDerWaalsContact O-CB 3.32Å; Y11-R15 WeakPolarHBondContact O-CB 3.42Å; Y11-R15 PolarHBondContact O-N 2.91Å; E12-R15 WeakPolarHBondContact O-CB 3.37Å; E12-R15 PolarHBondContact O-N 3.45Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 3.26Å; R15-F17 VanDerWaalsContact C-N 3.32Å; R15-F17 PolarHBondContact O-N 3.48Å; R15-K18 CarbonylContact O-C 3.56Å; R15-K18 PolarHBondContact O-N 3.34Å; R15-D19 WeakPolarHBondContact CG-OD2 3.39Å; R15-D19 IonicContact NE-OD2 2.69Å; R15-D19 WeakPolarHBondContact O-CB 3.47Å; R15-D19 VanDerWaalsContact O-CG 3.22Å; R15-D19 PolarHBondContact O-N 2.95Å
16L79.2Confident66.2Low41 Ų4182 Ų8222%0.21539%0.389CS..Hα-helixtrans-62-38177.1-74.3169.8000113E12 A13 N20 N43 L46E12-L16 WeakPolarHBondContact O-CG 3.41Å; E12-L16 PolarHBondContact O-N 3.25Å; A13-L16 PolarHBondContact O-N 3.38Å; L16-N20 WeakPolarHBondContact O-CB 3.29Å; L16-N20 PolarHBondContact O-N 3.49Å; L16-N20 PolarHBondContact O-ND2 3.45Å; L16-N43 HydrophobicContact CD1-CB 4.43Å; L16-L46 HydrophobicContact CD1-CD2 3.24Å
17F74.9Confident64.9Low27 Ų2783.1 Ų83.112%0.11839%0.391CS..Hα-helixtrans-63-49.3169.9-89-70.8000110.3A13 R15 D19 N20 I21 L36 F47 W85 W93A13-F17 WeakPolarHBondContact O-CD2 3.32Å; A13-F17 PolarHBondContact O-N 3.06Å; R15-F17 VanDerWaalsContact C-N 3.32Å; R15-F17 PolarHBondContact O-N 3.48Å; F17-D19 PolarHBondContact O-N 3.33Å; F17-N20 CarbonylContact O-C 3.39Å; F17-N20 PolarHBondContact O-N 2.92Å; F17-I21 HydrophobicContact CB-CD1 4.2Å; F17-I21 VanDerWaalsContact O-CB 3.29Å; F17-I21 WeakPolarHBondContact O-CB 3.37Å; F17-I21 VanDerWaalsContact O-CD1 3.29Å; F17-I21 WeakPolarHBondContact O-CD1 3.15Å; F17-I21 WeakPolarHBondContact O-CG1 3.27Å; F17-I21 PolarHBondContact O-N 3.46Å; F17-L36 HydrophobicContact CE1-CD1 4.05Å; F17-L36 HydrophobicContact CZ-CD1 4.41Å; F17-F47 AromaticContact CD2-CE1 3.78Å; F17-F47 HydrophobicContact CD2-CE1 3.78Å; F17-F47 HydrophobicContact CD2-CZ 4.19Å; F17-F47 HydrophobicContact CE2-CD1 4.2Å; F17-F47 AromaticContact CE2-CE1 3.3Å; F17-F47 HydrophobicContact CE2-CE1 3.3Å; F17-F47 AromaticContact CE2-CZ 3.87Å; F17-F47 HydrophobicContact CE2-CZ 3.87Å; F17-F47 HydrophobicContact CZ-CE1 4.08Å; F17-F47 HydrophobicContact CZ-CZ 4.38Å; F17-W85 AromaticContact CD2-CZ2 3.71Å; F17-W85 HydrophobicContact CD2-CZ2 3.71Å; F17-W85 HydrophobicContact CE2-CZ2 4.07Å; F17-W93 AromaticContact CZ-CD1 3.89Å; F17-W93 HydrophobicContact CZ-CG 4.21Å
18K71.7Confident63.3Low154 Ų15487 Ų8767%0.6742%0.418SS*.Hα-helixtrans-60.8-42-178.7-167.5179.5179.7-174.90113.3K14 R15 N20 I21K14-K18 WeakPolarHBondContact O-CB 3.45Å; K14-K18 PolarHBondContact O-N 3.32Å; R15-K18 CarbonylContact O-C 3.56Å; R15-K18 PolarHBondContact O-N 3.34Å; K18-N20 VanDerWaalsContact C-N 3.34Å; K18-I21 PolarHBondContact O-N 2.99Å
19D65.3Low61.2Low84 Ų8489.2 Ų89.245%0.44943%0.43SS..Hα-helixtrans-68-37.9-179-67.3-12.2000110.3R15 F17 T22R15-D19 WeakPolarHBondContact CG-OD2 3.39Å; R15-D19 IonicContact NE-OD2 2.69Å; R15-D19 WeakPolarHBondContact O-CB 3.47Å; R15-D19 VanDerWaalsContact O-CG 3.22Å; R15-D19 PolarHBondContact O-N 2.95Å; F17-D19 PolarHBondContact O-N 3.33Å; D19-T22 PolarHBondContact O-OG1 3.17Å; D19-T22 VanDerWaalsContact O-OG1 3.09Å
20N62.4Low59.2Low62 Ų6296 Ų9633%0.33247%0.465SS..Hα-helixtrans-83.9-14.8175.4-65.7-54.1000113.6L16 F17 K18 T22 F23 F24 L39L16-N20 WeakPolarHBondContact O-CB 3.29Å; L16-N20 PolarHBondContact O-N 3.49Å; L16-N20 PolarHBondContact O-ND2 3.45Å; F17-N20 CarbonylContact O-C 3.39Å; F17-N20 PolarHBondContact O-N 2.92Å; K18-N20 VanDerWaalsContact C-N 3.34Å; N20-T22 PolarHBondContact O-N 2.76Å; N20-F23 WeakPolarHBondContact O-CA 3.19Å; N20-F23 WeakPolarHBondContact O-CB 3.45Å; N20-F23 PolarHBondContact O-N 3.33Å; N20-F24 HydrophobicContact CB-CD2 4.21Å; N20-F24 HydrophobicContact CB-CE2 3.79Å; N20-F24 WeakPolarHBondContact O-CD2 3Å; N20-F24 PolarHBondContact O-N 3.35Å; N20-L39 HydrophobicContact CB-CD1 3.71Å; N20-L39 VanDerWaalsContact ND2-CD1 3.27Å; N20-L39 WeakPolarHBondContact ND2-CD1 3.37Å
21I55.3Low57.1Low78 Ų78100.5 Ų100.540%0.448%0.483SS..Hα-helixtrans-64.2-22.2178.3-83159.9000112.6F17 K18 F23 F24 T25F17-I21 HydrophobicContact CB-CD1 4.2Å; F17-I21 VanDerWaalsContact O-CB 3.29Å; F17-I21 WeakPolarHBondContact O-CB 3.37Å; F17-I21 VanDerWaalsContact O-CD1 3.29Å; F17-I21 WeakPolarHBondContact O-CD1 3.15Å; F17-I21 WeakPolarHBondContact O-CG1 3.27Å; F17-I21 PolarHBondContact O-N 3.46Å; K18-I21 PolarHBondContact O-N 2.99Å; I21-F23 PolarHBondContact O-N 3.5Å; I21-F24 HydrophobicContact CG1-CD2 4.38Å; I21-F24 PolarHBondContact O-N 3.31Å; I21-T25 HydrophobicContact CG2-CG2 4.27Å; I21-T25 PolarHBondContact O-N 3.27Å; I21-T25 VanDerWaalsContact O-N 3.12Å; I21-T25 PolarHBondContact O-OG1 2.91Å
22T46Very low55.7Low106 Ų10698.9 Ų98.965%0.6549%0.486SS*.Hα-helixtrans-67.2-22.516956.50000112.9D19 N20D19-T22 PolarHBondContact O-OG1 3.17Å; D19-T22 VanDerWaalsContact O-OG1 3.09Å; N20-T22 PolarHBondContact O-N 2.76Å
23F42.4Very low54.5Low136 Ų13699.5 Ų99.560%0.59649%0.493SS*.Hα-helixtrans-85.4-31.7170-142.4-92.7000112.1N20 I21N20-F23 WeakPolarHBondContact O-CA 3.19Å; N20-F23 WeakPolarHBondContact O-CB 3.45Å; N20-F23 PolarHBondContact O-N 3.33Å; I21-F23 PolarHBondContact O-N 3.5Å
24F39.9Very low53.6Low67 Ų67104.3 Ų104.329%0.29452%0.518SS..Hα-helixtrans-78.6-18.1-178.3-71.6-75000115.4N20 I21 L39N20-F24 HydrophobicContact CB-CD2 4.21Å; N20-F24 HydrophobicContact CB-CE2 3.79Å; N20-F24 WeakPolarHBondContact O-CD2 3Å; N20-F24 PolarHBondContact O-N 3.35Å; I21-F24 HydrophobicContact CG1-CD2 4.38Å; I21-F24 PolarHBondContact O-N 3.31Å; F24-L39 HydrophobicContact CE2-CD1 4.05Å; F24-L39 HydrophobicContact CZ-CD1 4.25Å
25T41.7Very low52.8Low98 Ų98103.8 Ų103.860%0.60152%0.517SS*.THydrogen-bonded Turntrans-88.9-12.3-175.232.20000114.7I21I21-T25 HydrophobicContact CG2-CG2 4.27Å; I21-T25 PolarHBondContact O-N 3.27Å; I21-T25 VanDerWaalsContact O-N 3.12Å; I21-T25 PolarHBondContact O-OG1 2.91Å
26Y35.2Very low52.1Low191 Ų19197.6 Ų97.675%0.74950%0.496SS*.SBendtrans-89.7-12.2-175.6-96.9-86.1000115.7
27H36.5Very low51.6Low115 Ų11597.9 Ų97.953%0.53250%0.498SS..  trans-141.183.9178.9-70.4-47.8000112.9N29 Y31H27-N29 VanDerWaalsContact C-N 3.26Å; H27-N29 PolarHBondContact O-N 3.03Å; H27-Y31 HydrophobicContact CB-CD2 3.92Å; H27-Y31 HydrophobicContact CB-CE2 3.68Å; H27-Y31 WeakPolarHBondContact O-CD2 3.47Å
28P38.1Very low51.6Low113 Ų113100.6 Ų100.673%0.73451%0.511SS*.THydrogen-bonded Turntrans-72.1-11.4-17525.9-32.3000115
29N36.3Very low51.8Low149 Ų14994.1 Ų94.180%0.79748%0.484SS*.THydrogen-bonded Turntrans-120.78.5-165.8-71.1-11.1000115.7H27H27-N29 VanDerWaalsContact C-N 3.26Å; H27-N29 PolarHBondContact O-N 3.03Å
30N34.3Very low52.5Low150 Ų15090.1 Ų90.180%0.80246%0.462SS*.  trans-141.610.3-174.5-103.1-7.8000116.2S32N30-S32 PolarHBondContact O-N 3.05Å
31Y35.6Very low53.2Low94 Ų9490.5 Ų90.537%0.36946%0.464SS..  trans-92.9109.1-173.6-89.2-55.7000114.9H27 Q35H27-Y31 HydrophobicContact CB-CD2 3.92Å; H27-Y31 HydrophobicContact CB-CE2 3.68Å; H27-Y31 WeakPolarHBondContact O-CD2 3.47Å; Y31-Q35 HydrophobicContact CD1-CG 4.17Å; Y31-Q35 HydrophobicContact CE1-CG 4.13Å; Y31-Q35 VanDerWaalsContact CZ-OE1 3.28Å
32S50.9Low54.5Low65 Ų6596.5 Ų96.546%0.45548%0.482SS..  trans-58.7140.2171.354.90000112.3N30 L34 Q35N30-S32 PolarHBondContact O-N 3.05Å; S32-L34 PolarHBondContact O-N 3.07Å; S32-L34 WeakPolarHBondContact OG-CB 3.28Å; S32-Q35 PolarHBondContact O-N 3.48Å
33D57Low56.2Low121 Ų12194 Ų9465%0.64746%0.464SS*.Hα-helixtrans-41.4-20.5164.6-67.4-43.9000114N37D33-N37 VanDerWaalsContact O-CB 3.23Å; D33-N37 WeakPolarHBondContact O-CB 3.36Å; D33-N37 PolarHBondContact O-N 2.88Å; D33-N37 PolarHBondContact O-ND2 3.24Å
34L60.9Low58Low101 Ų10188.4 Ų88.453%0.52944%0.44SS..Hα-helixtrans-55.5-51.3176.2-147.591.4000114.6S32 N37 E38S32-L34 PolarHBondContact O-N 3.07Å; S32-L34 WeakPolarHBondContact OG-CB 3.28Å; L34-N37 CarbonylContact O-C 3.54Å; L34-N37 PolarHBondContact O-N 3.43Å; L34-E38 WeakPolarHBondContact O-CG 3.15Å; L34-E38 PolarHBondContact O-N 3.29Å
35Q63.2Low60Low58 Ų5890.5 Ų90.527%0.27146%0.459SS..Hα-helixtrans-73.3-35.5-173.9-76.6-165.7-1100112.8Y31 S32 N37 E38 L39Y31-Q35 HydrophobicContact CD1-CG 4.17Å; Y31-Q35 HydrophobicContact CE1-CG 4.13Å; Y31-Q35 VanDerWaalsContact CZ-OE1 3.28Å; S32-Q35 PolarHBondContact O-N 3.48Å; Q35-N37 VanDerWaalsContact C-N 3.35Å; Q35-E38 PolarHBondContact O-N 3.06Å; Q35-L39 PolarHBondContact O-N 2.84Å
36L67.4Low62Low40 Ų4086.8 Ų86.821%0.20944%0.435CS..Hα-helixtrans-62.9-45.9170.8179.964.2000109.9F17 E38 L39 L40F17-L36 HydrophobicContact CE1-CD1 4.05Å; F17-L36 HydrophobicContact CZ-CD1 4.41Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 3.25Å; L36-L39 PolarHBondContact O-N 2.92Å; L36-L40 HydrophobicContact CD1-CD1 4.31Å; L36-L40 HydrophobicContact CD1-CG 4.34Å; L36-L40 HydrophobicContact CG-CD1 4Å; L36-L40 HydrophobicContact CG-CG 4.42Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.22Å; L36-L40 PolarHBondContact O-N 2.98Å
37N68.4Low64.2Low46 Ų4677.7 Ų77.725%0.24640%0.4CS..Hα-helixtrans-64.4-34.4177-75.2-25.3000112.6D33 L34 Q35 N41D33-N37 VanDerWaalsContact O-CB 3.23Å; D33-N37 WeakPolarHBondContact O-CB 3.36Å; D33-N37 PolarHBondContact O-N 2.88Å; D33-N37 PolarHBondContact O-ND2 3.24Å; L34-N37 CarbonylContact O-C 3.54Å; L34-N37 PolarHBondContact O-N 3.43Å; Q35-N37 VanDerWaalsContact C-N 3.35Å; N37-N41 WeakPolarHBondContact O-CB 3.37Å; N37-N41 PolarHBondContact O-N 3Å
38E74.8Confident66.3Low85 Ų8574.2 Ų74.240%0.39738%0.382SS..Hα-helixtrans-64.6-45.6173.9-80.4174.4-167.200112.2L34 Q35 L36 N41 R42L34-E38 WeakPolarHBondContact O-CG 3.15Å; L34-E38 PolarHBondContact O-N 3.29Å; Q35-E38 PolarHBondContact O-N 3.06Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 3.25Å; E38-N41 PolarHBondContact O-N 2.95Å; E38-R42 WeakPolarHBondContact O-CG 3.23Å; E38-R42 PolarHBondContact O-N 3.31Å
39L76.6Confident68.3Low18 Ų1871.7 Ų71.79%0.09437%0.365CS..Hα-helixtrans-63.6-45.3177-177.2150.2000111.6N20 F24 Q35 L36 N41 R42 N43 F47N20-L39 HydrophobicContact CB-CD1 3.71Å; N20-L39 VanDerWaalsContact ND2-CD1 3.27Å; N20-L39 WeakPolarHBondContact ND2-CD1 3.37Å; F24-L39 HydrophobicContact CE2-CD1 4.05Å; F24-L39 HydrophobicContact CZ-CD1 4.25Å; Q35-L39 PolarHBondContact O-N 2.84Å; L36-L39 PolarHBondContact O-N 2.92Å; L39-N41 VanDerWaalsContact C-N 3.33Å; L39-R42 PolarHBondContact O-N 2.95Å; L39-N43 PolarHBondContact O-N 3.05Å; L39-F47 HydrophobicContact CD2-CE2 3.58Å; L39-F47 HydrophobicContact CD2-CZ 3.56Å
40L79.5Confident70.5Confident0 Ų064.6 Ų64.60%033%0.327CS..Hα-helixtrans-63.9-39.3176.1-68.7175.4000111.6L36 N43 L44 F47 W93 N96 V97 L100L36-L40 HydrophobicContact CD1-CD1 4.31Å; L36-L40 HydrophobicContact CD1-CG 4.34Å; L36-L40 HydrophobicContact CG-CD1 4Å; L36-L40 HydrophobicContact CG-CG 4.42Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.22Å; L36-L40 PolarHBondContact O-N 2.98Å; L40-N43 CarbonylContact O-C 3.59Å; L40-N43 PolarHBondContact O-N 3.36Å; L40-L44 WeakPolarHBondContact O-CA 3.23Å; L40-L44 PolarHBondContact O-N 2.82Å; L40-F47 HydrophobicContact CD2-CB 4.28Å; L40-F47 HydrophobicContact CD2-CD1 3.91Å; L40-F47 HydrophobicContact CD2-CD2 3.6Å; L40-F47 HydrophobicContact CD2-CE1 4.15Å; L40-F47 HydrophobicContact CD2-CE2 3.82Å; L40-F47 HydrophobicContact CD2-CG 3.65Å; L40-F47 HydrophobicContact CD2-CZ 4.1Å; L40-W93 HydrophobicContact CD1-CB 4.22Å; L40-W93 HydrophobicContact CD2-CB 4.45Å; L40-N96 HydrophobicContact CD1-CB 3.61Å; L40-V97 HydrophobicContact CD1-CG2 4.11Å; L40-V97 HydrophobicContact CD2-CG2 3.7Å; L40-V97 HydrophobicContact CG-CG2 4.33Å; L40-L100 HydrophobicContact CB-CD1 3.56Å; L40-L100 HydrophobicContact CD1-CD1 4.38Å
41N78.3Confident72.5Confident70 Ų7057.7 Ų57.737%0.37429%0.29SS..Hα-helixtrans-68.7-39.5-179.8-176.638000112.3N37 E38 L39 N43 L100 H104N37-N41 WeakPolarHBondContact O-CB 3.37Å; N37-N41 PolarHBondContact O-N 3Å; E38-N41 PolarHBondContact O-N 2.95Å; L39-N41 VanDerWaalsContact C-N 3.33Å; N41-N43 VanDerWaalsContact C-N 3.3Å; N41-N43 PolarHBondContact O-N 3.07Å; N41-L100 HydrophobicContact CB-CD1 4.4Å; N41-L100 HydrophobicContact CB-CD2 4.42Å; N41-H104 PolarHBondContact OD1-NE2 2.82Å
42R81.4Confident74.4Confident203 Ų20354.8 Ų54.877%0.76628%0.279SS*.Hα-helixtrans-63.4-36.5176.4-75.7178.7-177.9-173.31.9112.4E38 L39E38-R42 WeakPolarHBondContact O-CG 3.23Å; E38-R42 PolarHBondContact O-N 3.31Å; L39-R42 PolarHBondContact O-N 2.95Å
43N82.5Confident75.7Confident53 Ų5353.2 Ų53.228%0.28327%0.265SS..THydrogen-bonded Turntrans-115.235.3-176.8-63-41.6000112.4L16 L39 L40 N41 T45 L46 F47L16-N43 HydrophobicContact CD1-CB 4.43Å; L39-N43 PolarHBondContact O-N 3.05Å; L40-N43 CarbonylContact O-C 3.59Å; L40-N43 PolarHBondContact O-N 3.36Å; N41-N43 VanDerWaalsContact C-N 3.3Å; N41-N43 PolarHBondContact O-N 3.07Å; N43-T45 VanDerWaalsContact C-N 3.33Å; N43-T45 PolarHBondContact O-N 3.41Å; N43-L46 HydrophobicContact CB-CB 4.42Å; N43-L46 WeakPolarHBondContact O-CB 2.98Å; N43-L46 PolarHBondContact O-N 2.75Å; N43-L46 VanDerWaalsContact O-N 3.11Å; N43-F47 HydrophobicContact CB-CD2 3.87Å; N43-F47 HydrophobicContact CB-CE2 3.76Å; N43-F47 VanDerWaalsContact O-CD2 3.31Å; N43-F47 WeakPolarHBondContact O-CD2 3.13Å; N43-F47 PolarHBondContact O-N 3.19Å
44L80.8Confident76.5Confident19 Ų1947.5 Ų47.510%0.09923%0.234CC..Hα-helixtrans-58.3-42.3-169-174.667.3000113.3L40 L46 F47 W48 L100 M101 H104L40-L44 WeakPolarHBondContact O-CA 3.23Å; L40-L44 PolarHBondContact O-N 2.82Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.07Å; L44-F47 PolarHBondContact O-N 3.02Å; L44-W48 VanDerWaalsContact O-CB 3.25Å; L44-W48 WeakPolarHBondContact O-CB 3.42Å; L44-W48 PolarHBondContact O-N 2.93Å; L44-L100 HydrophobicContact CD1-CB 3.61Å; L44-L100 HydrophobicContact CD1-CD1 4.48Å; L44-M101 HydrophobicContact CD1-CG 3.96Å; L44-M101 HydrophobicContact CD1-SD 4.15Å; L44-M101 HydrophobicContact CD2-CG 4.3Å; L44-M101 HydrophobicContact CD2-SD 3.58Å; L44-M101 VanDerWaalsContact CD2-SD 3.58Å; L44-M101 HydrophobicContact CG-CG 4.1Å; L44-M101 HydrophobicContact CG-SD 3.6Å; L44-H104 HydrophobicContact CD2-CB 4.05Å
45T80.9Confident76.8Confident111 Ų11142.9 Ų42.968%0.68121%0.21SC*.Hα-helixtrans-62.9-40.3179.348.70000111.7N43 T49N43-T45 VanDerWaalsContact C-N 3.33Å; N43-T45 PolarHBondContact O-N 3.41Å; T45-T49 WeakPolarHBondContact O-CG2 3.47Å; T45-T49 PolarHBondContact O-N 3.43Å; T45-T49 PolarHBondContact O-OG1 3.29Å
46L83.4Confident77.1Confident21 Ų2143.4 Ų43.411%0.1122%0.215CC..Hα-helixtrans-66.9-51.3176.7-178.271.1000110.8A9 E12 L16 N43 L44 W48 T49 T50A9-L46 HydrophobicContact CB-CD1 3.91Å; E12-L46 HydrophobicContact CB-CD1 4.15Å; E12-L46 HydrophobicContact CB-CD2 4.28Å; E12-L46 HydrophobicContact CG-CD1 4.19Å; E12-L46 HydrophobicContact CG-CD2 3.84Å; E12-L46 VanDerWaalsContact OE2-CD1 3.28Å; E12-L46 WeakPolarHBondContact OE2-CD1 3.37Å; L16-L46 HydrophobicContact CD1-CD2 3.24Å; N43-L46 HydrophobicContact CB-CB 4.42Å; N43-L46 WeakPolarHBondContact O-CB 2.98Å; N43-L46 PolarHBondContact O-N 2.75Å; N43-L46 VanDerWaalsContact O-N 3.11Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.07Å; L46-W48 PolarHBondContact O-N 3.29Å; L46-T49 PolarHBondContact O-N 2.89Å; L46-T49 VanDerWaalsContact O-N 3.12Å; L46-T49 PolarHBondContact O-OG1 3.08Å; L46-T50 WeakPolarHBondContact O-CB 3.42Å; L46-T50 PolarHBondContact O-N 3.18Å; L46-T50 PolarHBondContact O-OG1 2.7Å
47F82.6Confident77.2Confident0 Ų041.6 Ų41.60%021%0.206CC..Hα-helixtrans-64.4-29.6179.9-75.7-65.7000113.1A13 F17 L39 L40 N43 L44 M51 W93 V97A13-F47 HydrophobicContact CB-CD1 4.11Å; A13-F47 HydrophobicContact CB-CE1 3.8Å; F17-F47 AromaticContact CD2-CE1 3.78Å; F17-F47 HydrophobicContact CD2-CE1 3.78Å; F17-F47 HydrophobicContact CD2-CZ 4.19Å; F17-F47 HydrophobicContact CE2-CD1 4.2Å; F17-F47 AromaticContact CE2-CE1 3.3Å; F17-F47 HydrophobicContact CE2-CE1 3.3Å; F17-F47 AromaticContact CE2-CZ 3.87Å; F17-F47 HydrophobicContact CE2-CZ 3.87Å; F17-F47 HydrophobicContact CZ-CE1 4.08Å; F17-F47 HydrophobicContact CZ-CZ 4.38Å; L39-F47 HydrophobicContact CD2-CE2 3.58Å; L39-F47 HydrophobicContact CD2-CZ 3.56Å; L40-F47 HydrophobicContact CD2-CB 4.28Å; L40-F47 HydrophobicContact CD2-CD1 3.91Å; L40-F47 HydrophobicContact CD2-CD2 3.6Å; L40-F47 HydrophobicContact CD2-CE1 4.15Å; L40-F47 HydrophobicContact CD2-CE2 3.82Å; L40-F47 HydrophobicContact CD2-CG 3.65Å; L40-F47 HydrophobicContact CD2-CZ 4.1Å; N43-F47 HydrophobicContact CB-CD2 3.87Å; N43-F47 HydrophobicContact CB-CE2 3.76Å; N43-F47 VanDerWaalsContact O-CD2 3.31Å; N43-F47 WeakPolarHBondContact O-CD2 3.13Å; N43-F47 PolarHBondContact O-N 3.19Å; L44-F47 PolarHBondContact O-N 3.02Å; F47-M51 WeakPolarHBondContact O-CB 3.31Å; F47-M51 PolarHBondContact O-N 2.83Å; F47-W93 HydrophobicContact CB-CZ3 4.45Å; F47-W93 HydrophobicContact CD1-CH2 4.48Å; F47-W93 HydrophobicContact CD1-CZ3 4.32Å; F47-V97 HydrophobicContact CB-CG1 4.3Å; F47-V97 HydrophobicContact CB-CG2 3.77Å; F47-V97 HydrophobicContact CG-CG2 4.48Å
48W79.3Confident76.9Confident41 Ų4139.6 Ų39.616%0.15520%0.195CC..Hα-helixtrans-64.8-48.5171.2-177.4-110.9000111.8L44 L46 T50 M51 H52 V97 M101 L565 I569L44-W48 VanDerWaalsContact O-CB 3.25Å; L44-W48 WeakPolarHBondContact O-CB 3.42Å; L44-W48 PolarHBondContact O-N 2.93Å; L46-W48 PolarHBondContact O-N 3.29Å; W48-T50 VanDerWaalsContact C-N 3.34Å; W48-T50 PolarHBondContact O-N 2.99Å; W48-M51 HydrophobicContact CE3-SD 4.31Å; W48-M51 HydrophobicContact CZ3-SD 4.06Å; W48-M51 WeakPolarHBondContact O-CB 3.28Å; W48-M51 PolarHBondContact O-N 2.99Å; W48-H52 AromaticContact CD1-CD2 3.96Å; W48-H52 AromaticContact CD2-NE2 3.82Å; W48-H52 AromaticContact CE2-CD2 3.72Å; W48-H52 AromaticContact CE2-NE2 3.09Å; W48-H52 AromaticContact CH2-NE2 3.72Å; W48-H52 AromaticContact CZ2-CE1 3.85Å; W48-H52 AromaticContact CZ2-NE2 3.06Å; W48-H52 WeakPolarHBondContact CZ2-NE2 3.44Å; W48-H52 AromaticContact NE1-CD2 3.64Å; W48-H52 AromaticContact NE1-NE2 3.29Å; W48-H52 PolarHBondContact NE1-NE2 3.47Å; W48-H52 PolarHBondContact O-CD2 3.49Å; W48-H52 PolarHBondContact O-N 3Å; W48-V97 HydrophobicContact CE3-CG1 4.14Å; W48-M101 HydrophobicContact CB-CG 4.42Å; W48-M101 HydrophobicContact CB-SD 4.34Å; W48-M101 HydrophobicContact CD2-CE 3.99Å; W48-M101 HydrophobicContact CD2-CG 3.93Å; W48-M101 HydrophobicContact CD2-SD 4.37Å; W48-M101 HydrophobicContact CE3-CB 4.36Å; W48-M101 HydrophobicContact CE3-CG 3.62Å; W48-M101 HydrophobicContact CG-CE 4.07Å; W48-M101 HydrophobicContact CG-CG 4.3Å; W48-M101 HydrophobicContact CG-SD 4.26Å; W48-M101 HydrophobicContact CZ3-CG 4.25Å; W48-L565 HydrophobicContact CH2-CD2 3.77Å; W48-L565 HydrophobicContact CH2-CG 4.33Å; W48-L565 HydrophobicContact CZ3-CD2 4.13Å; W48-I569 HydrophobicContact CH2-CD1 3.15Å; W48-I569 HydrophobicContact CH2-CG1 4.44Å; W48-I569 HydrophobicContact CZ2-CD1 3.97Å; W48-I569 HydrophobicContact CZ3-CD1 3.67Å
49T81.2Confident75.9Confident61 Ų6137.1 Ų37.137%0.37418%0.184SC..Hα-helixtrans-66-37.2176.255.90000111.7A9 T45 L46 M51 H52 Q53A9-T49 WeakPolarHBondContact CB-OG1 3.48Å; T45-T49 WeakPolarHBondContact O-CG2 3.47Å; T45-T49 PolarHBondContact O-N 3.43Å; T45-T49 PolarHBondContact O-OG1 3.29Å; L46-T49 PolarHBondContact O-N 2.89Å; L46-T49 VanDerWaalsContact O-N 3.12Å; L46-T49 PolarHBondContact O-OG1 3.08Å; T49-M51 PolarHBondContact O-N 3.41Å; T49-H52 PolarHBondContact O-N 3.34Å; T49-Q53 WeakPolarHBondContact O-CB 3.39Å; T49-Q53 WeakPolarHBondContact O-CG 3.06Å; T49-Q53 PolarHBondContact O-N 3.43Å
50T81.3Confident75.2Confident0 Ų037.8 Ų37.80%019%0.188CC..Hα-helixtrans-60.2-42.9172.2-52.70000111.9A9 I10 A13 L46 W48 H52 Q53 C54 W85 W93A9-T50 PolarHBondContact O-OG1 3.28Å; I10-T50 HydrophobicContact CG1-CG2 4.01Å; A13-T50 HydrophobicContact CB-CG2 3.7Å; A13-T50 VanDerWaalsContact CB-OG1 3.27Å; A13-T50 WeakPolarHBondContact CB-OG1 3.29Å; L46-T50 WeakPolarHBondContact O-CB 3.42Å; L46-T50 PolarHBondContact O-N 3.18Å; L46-T50 PolarHBondContact O-OG1 2.7Å; W48-T50 VanDerWaalsContact C-N 3.34Å; W48-T50 PolarHBondContact O-N 2.99Å; T50-H52 VanDerWaalsContact C-N 3.34Å; T50-H52 PolarHBondContact O-N 3.11Å; T50-Q53 PolarHBondContact O-N 2.05Å; T50-C54 VanDerWaalsContact O-CB 3.32Å; T50-C54 WeakPolarHBondContact O-CB 3.48Å; T50-C54 PolarHBondContact O-N 3.37Å; T50-W85 HydrophobicContact CG2-CH2 3.95Å; T50-W85 HydrophobicContact CG2-CZ3 3.9Å; T50-W93 HydrophobicContact CG2-CH2 3.88Å; T50-W93 HydrophobicContact CG2-CZ2 4.29Å
51M77.8Confident74.2Confident5 Ų539.3 Ų39.33%0.02520%0.195CC..Hα-helixtrans-59.2-46.9176.9-175-177.5174.600110.7F47 W48 T49 C54 L55 W93 F94 L565F47-M51 WeakPolarHBondContact O-CB 3.31Å; F47-M51 PolarHBondContact O-N 2.83Å; W48-M51 HydrophobicContact CE3-SD 4.31Å; W48-M51 HydrophobicContact CZ3-SD 4.06Å; W48-M51 WeakPolarHBondContact O-CB 3.28Å; W48-M51 PolarHBondContact O-N 2.99Å; T49-M51 PolarHBondContact O-N 3.41Å; M51-C54 PolarHBondContact O-N 2.9Å; M51-L55 WeakPolarHBondContact O-CG 3.43Å; M51-L55 PolarHBondContact O-N 3.19Å; M51-W93 HydrophobicContact CB-CH2 4.47Å; M51-W93 HydrophobicContact CB-CZ3 4.18Å; M51-F94 HydrophobicContact CB-CE1 4.45Å; M51-F94 HydrophobicContact CB-CZ 4.47Å; M51-F94 HydrophobicContact CE-CB 4.08Å; M51-F94 HydrophobicContact CE-CD2 3.67Å; M51-F94 HydrophobicContact CE-CE2 4.37Å; M51-F94 HydrophobicContact CE-CG 4.04Å; M51-F94 HydrophobicContact CG-CD1 4.14Å; M51-F94 HydrophobicContact CG-CD2 3.78Å; M51-F94 HydrophobicContact CG-CE1 4.12Å; M51-F94 HydrophobicContact CG-CE2 3.74Å; M51-F94 HydrophobicContact CG-CG 3.98Å; M51-F94 HydrophobicContact CG-CZ 3.92Å; M51-F94 HydrophobicContact SD-CB 4.47Å; M51-F94 HydrophobicContact SD-CD2 4.3Å; M51-F94 HydrophobicContact SD-CG 4.27Å; M51-L565 HydrophobicContact CE-CD1 4Å; M51-L565 HydrophobicContact CE-CD2 3.54Å; M51-L565 HydrophobicContact CE-CG 4.42Å; M51-L565 HydrophobicContact SD-CD2 4.08Å
52H74.8Confident73.1Confident33 Ų3339.9 Ų39.915%0.15320%0.195CC..Hα-helixtrans-62.6-43.9175.3-75.7-66.8000112.7W48 T49 T50 C54 L55 N56W48-H52 AromaticContact CD1-CD2 3.96Å; W48-H52 AromaticContact CD2-NE2 3.82Å; W48-H52 AromaticContact CE2-CD2 3.72Å; W48-H52 AromaticContact CE2-NE2 3.09Å; W48-H52 AromaticContact CH2-NE2 3.72Å; W48-H52 AromaticContact CZ2-CE1 3.85Å; W48-H52 AromaticContact CZ2-NE2 3.06Å; W48-H52 WeakPolarHBondContact CZ2-NE2 3.44Å; W48-H52 AromaticContact NE1-CD2 3.64Å; W48-H52 AromaticContact NE1-NE2 3.29Å; W48-H52 PolarHBondContact NE1-NE2 3.47Å; W48-H52 PolarHBondContact O-CD2 3.49Å; W48-H52 PolarHBondContact O-N 3Å; T49-H52 PolarHBondContact O-N 3.34Å; T50-H52 VanDerWaalsContact C-N 3.34Å; T50-H52 PolarHBondContact O-N 3.11Å; H52-C54 PolarHBondContact O-N 3.44Å; H52-L55 PolarHBondContact O-N 3.46Å; H52-N56 WeakPolarHBondContact O-CB 3.25Å; H52-N56 VanDerWaalsContact O-CG 3.25Å; H52-N56 PolarHBondContact O-N 3.28Å; H52-N56 PolarHBondContact O-ND2 2.9Å
53Q77.1Confident71.6Confident31 Ų3134.2 Ų34.215%0.14518%0.178CC..Hα-helixtrans-63.7-39.6176.6-73.2-175.7-0.900111.9N6 A9 I10 T49 T50 N56 L57N6-Q53 PolarHBondContact O-NE2 2.88Å; N6-Q53 PolarHBondContact O-OE1 3.33Å; N6-Q53 PolarHBondContact OD1-NE2 3.21Å; A9-Q53 VanDerWaalsContact CB-OE1 3.32Å; I10-Q53 HydrophobicContact CD1-CB 3.71Å; I10-Q53 HydrophobicContact CG1-CB 3.81Å; I10-Q53 VanDerWaalsContact N-OE1 3.14Å; T49-Q53 WeakPolarHBondContact O-CB 3.39Å; T49-Q53 WeakPolarHBondContact O-CG 3.06Å; T49-Q53 PolarHBondContact O-N 3.43Å; T50-Q53 PolarHBondContact O-N 2.05Å; Q53-N56 PolarHBondContact O-N 2.87Å; Q53-L57 VanDerWaalsContact O-CB 3.32Å; Q53-L57 WeakPolarHBondContact O-CB 3.34Å; Q53-L57 PolarHBondContact O-N 2.92Å
54C74.7Confident70.2Confident1 Ų135.8 Ų35.81%0.00718%0.183CC..Hα-helixtrans-67.1-37.5176.5-880000112.4T50 M51 H52 L57 N58 C86 F94T50-C54 VanDerWaalsContact O-CB 3.32Å; T50-C54 WeakPolarHBondContact O-CB 3.48Å; T50-C54 PolarHBondContact O-N 3.37Å; M51-C54 PolarHBondContact O-N 2.9Å; H52-C54 PolarHBondContact O-N 3.44Å; C54-L57 PolarHBondContact O-N 3.25Å; C54-N58 WeakPolarHBondContact O-CB 3.45Å; C54-N58 PolarHBondContact O-N 3.06Å; C54-C86 VanDerWaalsContact CA-SG 3.5Å; C54-C86 HydrophobicContact CB-CB 3.59Å; C54-C86 WeakPolarHBondContact CB-SG 3.36Å; C54-C86 WeakPolarHBondContact SG-CB 3.36Å; C54-C86 CovalentContact SG-SG 2.05Å; C54-C86 PolarHBondContact SG-SG 2.91Å; C54-F94 HydrophobicContact CB-CZ 3.8Å
55L67.8Low68.5Low5 Ų538.9 Ų38.93%0.02621%0.207CC..Hα-helixtrans-64.3-47.6173.1-70.7174.5000110.6M51 H52 L57 N58 D59 F94 L565M51-L55 WeakPolarHBondContact O-CG 3.43Å; M51-L55 PolarHBondContact O-N 3.19Å; H52-L55 PolarHBondContact O-N 3.46Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 3.44Å; L55-N58 PolarHBondContact O-N 2.86Å; L55-D59 VanDerWaalsContact O-CG 3.28Å; L55-D59 PolarHBondContact O-N 2.82Å; L55-D59 VanDerWaalsContact O-N 3.15Å; L55-F94 HydrophobicContact CD2-CE2 4.06Å; L55-F94 HydrophobicContact CG-CE2 4.22Å; L55-L565 HydrophobicContact CD1-CD2 4.13Å
56N69Low66.6Low68 Ų6840.3 Ų40.336%0.36420%0.201SC..Hα-helixtrans-59.6-42.3175.5-68.9-16.8000112H52 Q53 D59 I60H52-N56 WeakPolarHBondContact O-CB 3.25Å; H52-N56 VanDerWaalsContact O-CG 3.25Å; H52-N56 PolarHBondContact O-N 3.28Å; H52-N56 PolarHBondContact O-ND2 2.9Å; Q53-N56 PolarHBondContact O-N 2.87Å; N56-D59 PolarHBondContact O-N 3.49Å; N56-I60 VanDerWaalsContact O-CD1 3.24Å; N56-I60 WeakPolarHBondContact O-CD1 3.47Å; N56-I60 VanDerWaalsContact O-CG1 3.25Å; N56-I60 WeakPolarHBondContact O-CG1 3.49Å; N56-I60 PolarHBondContact O-N 3.34Å
57L68.3Low64.6Low3 Ų347.1 Ų47.12%0.01623%0.23CC..Hα-helixtrans-64.1-41.9179.4-176.867.7000112.4L5 L7 I10 Q53 C54 L55 D59 I60 I61 L79 L82L5-L57 HydrophobicContact CD2-CD1 4.04Å; L7-L57 HydrophobicContact CD2-CD1 4.17Å; I10-L57 HydrophobicContact CD1-CD2 4.2Å; Q53-L57 VanDerWaalsContact O-CB 3.32Å; Q53-L57 WeakPolarHBondContact O-CB 3.34Å; Q53-L57 PolarHBondContact O-N 2.92Å; C54-L57 PolarHBondContact O-N 3.25Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 3.44Å; L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 3.46Å; L57-I60 PolarHBondContact O-N 3.3Å; L57-I61 HydrophobicContact CD1-CD1 4.16Å; L57-I61 HydrophobicContact CG-CD1 4Å; L57-I61 WeakPolarHBondContact O-CG1 3.18Å; L57-I61 PolarHBondContact O-N 3.12Å; L57-L79 HydrophobicContact CD1-CD2 3.95Å; L57-L82 HydrophobicContact CD2-CB 4Å
58N63.3Low62.8Low4 Ų449 Ų492%0.02124%0.24CC..Hα-helixtrans-59.9-42.5176.8-152.4-28.1000110.4C54 L55 I61 H62 F83 N87 R90C54-N58 WeakPolarHBondContact O-CB 3.45Å; C54-N58 PolarHBondContact O-N 3.06Å; L55-N58 PolarHBondContact O-N 2.86Å; N58-I61 PolarHBondContact O-N 3.38Å; N58-H62 PolarHBondContact O-CD2 2.94Å; N58-H62 VanDerWaalsContact O-CD2 3.26Å; N58-H62 PolarHBondContact O-N 2.91Å; N58-F83 HydrophobicContact CB-CE2 4.38Å; N58-F83 WeakPolarHBondContact OD1-CE2 3.44Å; N58-N87 PolarHBondContact ND2-OD1 2.9Å; N58-R90 PolarHBondContact ND2-NH1 3.35Å; N58-R90 PolarHBondContact ND2-NH2 2.79Å; N58-R90 VanDerWaalsContact ND2-NH2 3.13Å
59D54.1Low61.1Low32 Ų3254.7 Ų54.717%0.17127%0.271CS..Hα-helixtrans-70-34.4179.6-66.3-10.1000112.1L55 N56 L57 H62 Q63 T558 S561L55-D59 VanDerWaalsContact O-CG 3.28Å; L55-D59 PolarHBondContact O-N 2.82Å; L55-D59 VanDerWaalsContact O-N 3.15Å; N56-D59 PolarHBondContact O-N 3.49Å; L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 3.46Å; D59-H62 PolarHBondContact O-N 2.9Å; D59-Q63 WeakPolarHBondContact O-CG 3.31Å; D59-Q63 PolarHBondContact O-N 2.83Å; D59-T558 HydrophobicContact CB-CG2 3.91Å; D59-S561 PolarHBondContact OD2-OG 3.3Å
60I61.4Low59.3Low33 Ų3356.2 Ų56.217%0.16929%0.285CS..Hα-helixtrans-71.9-39.4175.5-69.1154.1000112.1L5 N56 L57 H62 Q63 Q64L5-I60 HydrophobicContact CD1-CD1 3.29Å; L5-I60 HydrophobicContact CD1-CG1 4.4Å; L5-I60 HydrophobicContact CD2-CD1 3.41Å; L5-I60 VanDerWaalsContact CD2-CD1 3.41Å; L5-I60 HydrophobicContact CG-CD1 3.68Å; N56-I60 VanDerWaalsContact O-CD1 3.24Å; N56-I60 WeakPolarHBondContact O-CD1 3.47Å; N56-I60 VanDerWaalsContact O-CG1 3.25Å; N56-I60 WeakPolarHBondContact O-CG1 3.49Å; N56-I60 PolarHBondContact O-N 3.34Å; L57-I60 PolarHBondContact O-N 3.3Å; I60-H62 VanDerWaalsContact C-N 3.27Å; I60-H62 PolarHBondContact O-N 3.1Å; I60-Q63 CarbonylContact O-C 3.59Å; I60-Q63 WeakPolarHBondContact O-CB 3.5Å; I60-Q63 PolarHBondContact O-N 3.49Å; I60-Q63 VanDerWaalsContact O-N 3.09Å; I60-Q64 HydrophobicContact CG2-CG 4.29Å; I60-Q64 WeakPolarHBondContact O-CB 3.37Å; I60-Q64 WeakPolarHBondContact O-CG 3.46Å; I60-Q64 PolarHBondContact O-N 2.87Å
61I58.8Low57.8Low31 Ų3160.2 Ų60.216%0.15931%0.309CS..Hα-helixtrans-67-34.2175.7-70.8171.3000110.2L57 N58 Q64 S65 L79 F83L57-I61 HydrophobicContact CD1-CD1 4.16Å; L57-I61 HydrophobicContact CG-CD1 4Å; L57-I61 WeakPolarHBondContact O-CG1 3.18Å; L57-I61 PolarHBondContact O-N 3.12Å; N58-I61 PolarHBondContact O-N 3.38Å; I61-Q64 PolarHBondContact O-N 3Å; I61-S65 PolarHBondContact O-N 3.13Å; I61-S65 VanDerWaalsContact O-N 3.13Å; I61-L79 HydrophobicContact CD1-CD2 3.96Å; I61-L79 HydrophobicContact CG1-CD2 4.24Å; I61-F83 HydrophobicContact CB-CD2 4.17Å; I61-F83 HydrophobicContact CB-CE2 4.2Å; I61-F83 HydrophobicContact CD1-CB 3.74Å; I61-F83 HydrophobicContact CD1-CD2 3.56Å; I61-F83 HydrophobicContact CD1-CE2 4.42Å; I61-F83 HydrophobicContact CD1-CG 3.98Å; I61-F83 HydrophobicContact CG1-CD2 4.45Å; I61-F83 HydrophobicContact CG2-CD2 4.07Å; I61-F83 HydrophobicContact CG2-CE2 3.99Å
62H54.4Low56.4Low82 Ų8265.5 Ų65.538%0.3834%0.337SS..Hα-helixtrans-66.2-33.3168.7-87.8-60.7000113.5N58 D59 I60 S65 L538N58-H62 PolarHBondContact O-CD2 2.94Å; N58-H62 VanDerWaalsContact O-CD2 3.26Å; N58-H62 PolarHBondContact O-N 2.91Å; D59-H62 PolarHBondContact O-N 2.9Å; I60-H62 VanDerWaalsContact C-N 3.27Å; I60-H62 PolarHBondContact O-N 3.1Å; H62-S65 PolarHBondContact O-OG 2.67Å; H62-L538 VanDerWaalsContact CE1-CD1 3.49Å; H62-L538 WeakPolarHBondContact CE1-CD1 3.31Å
63Q50.3Low55.5Low84 Ų8471.7 Ų71.739%0.39337%0.366SS..Hα-helixtrans-73.9-29.5173-77.5177-11.200113.3D59 I60D59-Q63 WeakPolarHBondContact O-CG 3.31Å; D59-Q63 PolarHBondContact O-N 2.83Å; I60-Q63 CarbonylContact O-C 3.59Å; I60-Q63 WeakPolarHBondContact O-CB 3.5Å; I60-Q63 PolarHBondContact O-N 3.49Å; I60-Q63 VanDerWaalsContact O-N 3.09Å
64Q52Low54.5Low86 Ų8675.2 Ų75.240%0.40239%0.39SS..Hα-helixtrans-101.33.4-172.8-70.3-175.6-13.300114.4I60 I61 Y66 F67 I68I60-Q64 HydrophobicContact CG2-CG 4.29Å; I60-Q64 WeakPolarHBondContact O-CB 3.37Å; I60-Q64 WeakPolarHBondContact O-CG 3.46Å; I60-Q64 PolarHBondContact O-N 2.87Å; I61-Q64 PolarHBondContact O-N 3Å; Q64-Y66 PolarHBondContact O-N 3.3Å; Q64-F67 PolarHBondContact O-N 3.21Å; Q64-I68 HydrophobicContact CB-CD1 3.84Å; Q64-I68 HydrophobicContact CB-CG1 4.11Å; Q64-I68 WeakPolarHBondContact O-CG1 3.46Å; Q64-I68 PolarHBondContact O-N 3.11Å
65S46.9Very low53.7Low85 Ų8579.5 Ų79.559%0.59441%0.412SS*.THydrogen-bonded Turntrans-59.4-11.8-179.958.90000114.5I61 H62I61-S65 PolarHBondContact O-N 3.13Å; I61-S65 VanDerWaalsContact O-N 3.13Å; H62-S65 PolarHBondContact O-OG 2.67Å
66Y39.3Very low53.4Low140 Ų14082.1 Ų82.155%0.54943%0.425SS..THydrogen-bonded Turntrans-98.5-13.1172.6-117.4-84.6000115.1Q64Q64-Y66 PolarHBondContact O-N 3.3Å
67F41.2Very low53Low164 Ų16484 Ų8472%0.71944%0.436SS*.THydrogen-bonded Turntrans-109.6-8-171.6-127.7-89.5000114.5Q64 I69Q64-F67 PolarHBondContact O-N 3.21Å; F67-I69 VanDerWaalsContact C-N 3.3Å; F67-I69 PolarHBondContact O-N 3.29Å
68I45Very low52.8Low41 Ų4188 Ų8821%0.2145%0.454CS..THydrogen-bonded Turntrans-92.219.4-175.9-49.7162.2000113Q64 S70 L76Q64-I68 HydrophobicContact CB-CD1 3.84Å; Q64-I68 HydrophobicContact CB-CG1 4.11Å; Q64-I68 WeakPolarHBondContact O-CG1 3.46Å; Q64-I68 PolarHBondContact O-N 3.11Å; I68-S70 VanDerWaalsContact C-N 3.33Å; I68-L76 HydrophobicContact CB-CD1 4.48Å; I68-L76 HydrophobicContact CG2-CB 4.34Å; I68-L76 HydrophobicContact CG2-CD1 3.41Å; I68-L76 VanDerWaalsContact CG2-CD1 3.41Å; I68-L76 HydrophobicContact CG2-CD2 4.26Å; I68-L76 HydrophobicContact CG2-CG 4.19Å
69I43.2Very low53Low159 Ų15989.9 Ų89.982%0.81546%0.464SS*.THydrogen-bonded Turntrans-83.5-10.4172-62.6175.5000111.5F67F67-I69 VanDerWaalsContact C-N 3.3Å; F67-I69 PolarHBondContact O-N 3.29Å
70S45Very low53.6Low94 Ų9493.6 Ų93.666%0.65748%0.48SS*.SBendtrans-1215-169.460.90000116.9I68I68-S70 VanDerWaalsContact C-N 3.33Å
71T48.5Very low54Low84 Ų8494.2 Ų94.252%0.51549%0.487SS..SBendtrans-132.5125.3-173.146.40000113.3
72N49.7Very low54.6Low115 Ų11592.8 Ų92.862%0.61548%0.48SS*.  trans11.2109.7174.2-88.2-16.5000117.3T74 I75 L76N72-T74 PolarHBondContact O-N 3.2Å; N72-I75 HydrophobicContact CB-CD1 4.02Å; N72-I75 HydrophobicContact CB-CG1 4.14Å; N72-I75 PolarHBondContact O-N 3.4Å; N72-L76 PolarHBondContact O-N 2.87Å
73Q54.3Low55.3Low164 Ų16491.1 Ų91.177%0.76647%0.472SS*.Hα-helixtrans-47.7-30.3173.8-79177.4-25.100114.1N77Q73-N77 VanDerWaalsContact O-CG 3.25Å; Q73-N77 PolarHBondContact O-N 2.88Å; Q73-N77 PolarHBondContact O-ND2 3.44Å
74T56.7Low56.2Low104 Ų10491 Ų9164%0.63848%0.477SS*.Hα-helixtrans-68.2-38.6178.252.20000113.1N72 H78N72-T74 PolarHBondContact O-N 3.2Å; T74-H78 PolarHBondContact O-N 3.47Å
75I57.8Low57.3Low92 Ų9288.8 Ų88.847%0.47247%0.465SS..Hα-helixtrans-72-39.9178.3-63.8175.2000109.7N72 H78 L79N72-I75 HydrophobicContact CB-CD1 4.02Å; N72-I75 HydrophobicContact CB-CG1 4.14Å; N72-I75 PolarHBondContact O-N 3.4Å; I75-H78 PolarHBondContact O-N 3.09Å; I75-L79 HydrophobicContact CG2-CD1 3.78Å; I75-L79 WeakPolarHBondContact O-CB 3.15Å; I75-L79 PolarHBondContact O-N 3.41Å
76L61.9Low58.6Low59 Ų5984.8 Ų84.831%0.30944%0.437SS..Hα-helixtrans-62.2-47.3177.1-178.455.1000112.2I68 N72 H78 L79 Q80I68-L76 HydrophobicContact CB-CD1 4.48Å; I68-L76 HydrophobicContact CG2-CB 4.34Å; I68-L76 HydrophobicContact CG2-CD1 3.41Å; I68-L76 VanDerWaalsContact CG2-CD1 3.41Å; I68-L76 HydrophobicContact CG2-CD2 4.26Å; I68-L76 HydrophobicContact CG2-CG 4.19Å; N72-L76 PolarHBondContact O-N 2.87Å; L76-H78 VanDerWaalsContact C-N 3.28Å; L76-H78 PolarHBondContact O-N 3Å; L76-L79 PolarHBondContact O-N 3.42Å; L76-Q80 VanDerWaalsContact O-CB 3.28Å; L76-Q80 WeakPolarHBondContact O-CB 3.47Å; L76-Q80 PolarHBondContact O-N 3.28Å
77N61.6Low60Low108 Ų10880.8 Ų80.858%0.57843%0.425SS*.Hα-helixtrans-61-38.8177.1-72.9-12.1000111.9Q73 S81Q73-N77 VanDerWaalsContact O-CG 3.25Å; Q73-N77 PolarHBondContact O-N 2.88Å; Q73-N77 PolarHBondContact O-ND2 3.44Å; N77-S81 WeakPolarHBondContact O-CB 3.43Å; N77-S81 PolarHBondContact O-N 2.91Å
78H64.2Low61.3Low86 Ų8678.9 Ų78.940%0.39842%0.419SS..Hα-helixtrans-69.2-44.8179-162-52.3000111.9Y11 T74 I75 L76 S81 L82Y11-H78 AromaticContact CE1-CE1 3.63Å; Y11-H78 AromaticContact CZ-CE1 3.9Å; Y11-H78 PolarHBondContact OH-CE1 3.05Å; Y11-H78 VanDerWaalsContact OH-CE1 3.25Å; T74-H78 PolarHBondContact O-N 3.47Å; I75-H78 PolarHBondContact O-N 3.09Å; L76-H78 VanDerWaalsContact C-N 3.28Å; L76-H78 PolarHBondContact O-N 3Å; H78-S81 PolarHBondContact O-N 3.32Å; H78-S81 PolarHBondContact O-OG 3.31Å; H78-L82 WeakPolarHBondContact O-CG 3Å; H78-L82 PolarHBondContact O-N 3.04Å; H78-L82 VanDerWaalsContact O-N 3.17Å
79L65.7Low62.3Low44 Ų4476.9 Ų76.923%0.2341%0.409CS..Hα-helixtrans-62.8-41.3175.2-96.9145.9000112.1L57 I61 I75 L76 S81 L82 F83L57-L79 HydrophobicContact CD1-CD2 3.95Å; I61-L79 HydrophobicContact CD1-CD2 3.96Å; I61-L79 HydrophobicContact CG1-CD2 4.24Å; I75-L79 HydrophobicContact CG2-CD1 3.78Å; I75-L79 WeakPolarHBondContact O-CB 3.15Å; I75-L79 PolarHBondContact O-N 3.41Å; L76-L79 PolarHBondContact O-N 3.42Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 3.31Å; L79-L82 PolarHBondContact O-N 3.21Å; L79-F83 WeakPolarHBondContact O-CB 3.38Å; L79-F83 PolarHBondContact O-N 3.38Å
80Q67.4Low63.4Low111 Ų11173.3 Ų73.352%0.51939%0.385SS..Hα-helixtrans-64.8-37.9177.2-168.4160.1100111.8L76 L82 F83 T84L76-Q80 VanDerWaalsContact O-CB 3.28Å; L76-Q80 WeakPolarHBondContact O-CB 3.47Å; L76-Q80 PolarHBondContact O-N 3.28Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 3.44Å; Q80-F83 PolarHBondContact O-N 2.92Å; Q80-T84 WeakPolarHBondContact O-CG2 3.45Å; Q80-T84 PolarHBondContact O-N 3.45Å; Q80-T84 PolarHBondContact O-OG1 2.91Å
81S69.8Low64.1Low45 Ų4573.4 Ų73.432%0.31539%0.385SS..Hα-helixtrans-66.6-29.6174.383.90000114N77 H78 L79 T84 W85N77-S81 WeakPolarHBondContact O-CB 3.43Å; N77-S81 PolarHBondContact O-N 2.91Å; H78-S81 PolarHBondContact O-N 3.32Å; H78-S81 PolarHBondContact O-OG 3.31Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 3.31Å; S81-T84 PolarHBondContact O-OG1 3.37Å; S81-T84 VanDerWaalsContact O-OG1 3.08Å; S81-W85 WeakPolarHBondContact O-CB 3.47Å; S81-W85 PolarHBondContact O-N 3.39Å
82L71.4Confident64.8Low2 Ų272.6 Ų72.61%0.0138%0.38CS..Hα-helixtrans-78.1-39.1175.8-71.2169.1000110.6I10 Y11 K14 L57 H78 L79 Q80 W85 C86I10-L82 HydrophobicContact CG2-CD2 3.79Å; Y11-L82 HydrophobicContact CE1-CD2 4.47Å; K14-L82 HydrophobicContact CD-CD2 4.3Å; L57-L82 HydrophobicContact CD2-CB 4Å; H78-L82 WeakPolarHBondContact O-CG 3Å; H78-L82 PolarHBondContact O-N 3.04Å; H78-L82 VanDerWaalsContact O-N 3.17Å; L79-L82 PolarHBondContact O-N 3.21Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 3.44Å; L82-W85 PolarHBondContact O-N 3.32Å; L82-C86 WeakPolarHBondContact O-CB 3.25Å; L82-C86 PolarHBondContact O-N 3.2Å; L82-C86 PolarHBondContact O-SG 3.41Å
83F69.6Low65.9Low46 Ų4667.4 Ų67.420%0.20235%0.352CS..Hα-helixtrans-62.7-46.4176.1-176.9-104000112.6N58 I61 L79 Q80 W85 C86 N87N58-F83 HydrophobicContact CB-CE2 4.38Å; N58-F83 WeakPolarHBondContact OD1-CE2 3.44Å; I61-F83 HydrophobicContact CB-CD2 4.17Å; I61-F83 HydrophobicContact CB-CE2 4.2Å; I61-F83 HydrophobicContact CD1-CB 3.74Å; I61-F83 HydrophobicContact CD1-CD2 3.56Å; I61-F83 HydrophobicContact CD1-CE2 4.42Å; I61-F83 HydrophobicContact CD1-CG 3.98Å; I61-F83 HydrophobicContact CG1-CD2 4.45Å; I61-F83 HydrophobicContact CG2-CD2 4.07Å; I61-F83 HydrophobicContact CG2-CE2 3.99Å; L79-F83 WeakPolarHBondContact O-CB 3.38Å; L79-F83 PolarHBondContact O-N 3.38Å; Q80-F83 PolarHBondContact O-N 2.92Å; F83-W85 VanDerWaalsContact C-N 3.29Å; F83-W85 PolarHBondContact O-N 3.27Å; F83-C86 PolarHBondContact O-N 3.31Å; F83-N87 WeakPolarHBondContact CD1-ND2 3.32Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.03Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.43Å; F83-N87 WeakPolarHBondContact O-CB 3.41Å; F83-N87 PolarHBondContact O-N 2.86Å
84T68.8Low66.6Low83 Ų8360 Ų6051%0.50932%0.318SS..Hα-helixtrans-61-40.7176.252.20000111.3Q80 S81 N87 Q88Q80-T84 WeakPolarHBondContact O-CG2 3.45Å; Q80-T84 PolarHBondContact O-N 3.45Å; Q80-T84 PolarHBondContact O-OG1 2.91Å; S81-T84 PolarHBondContact O-OG1 3.37Å; S81-T84 VanDerWaalsContact O-OG1 3.08Å; T84-N87 PolarHBondContact O-N 3.32Å; T84-Q88 WeakPolarHBondContact O-CB 3.46Å; T84-Q88 PolarHBondContact O-N 3.29Å
85W75.9Confident67.1Low38 Ų3859.2 Ų59.214%0.14431%0.313CS..Hα-helixtrans-65.4-45.3176.2-174.480000112.8I10 A13 K14 F17 T50 S81 L82 F83 N87 Q88 G89 W93I10-W85 HydrophobicContact CG2-CE3 4.2Å; I10-W85 HydrophobicContact CG2-CZ3 3.98Å; A13-W85 HydrophobicContact CB-CH2 4.06Å; K14-W85 HydrophobicContact CB-CZ2 4.27Å; F17-W85 AromaticContact CD2-CZ2 3.71Å; F17-W85 HydrophobicContact CD2-CZ2 3.71Å; F17-W85 HydrophobicContact CE2-CZ2 4.07Å; T50-W85 HydrophobicContact CG2-CH2 3.95Å; T50-W85 HydrophobicContact CG2-CZ3 3.9Å; S81-W85 WeakPolarHBondContact O-CB 3.47Å; S81-W85 PolarHBondContact O-N 3.39Å; L82-W85 PolarHBondContact O-N 3.32Å; F83-W85 VanDerWaalsContact C-N 3.29Å; F83-W85 PolarHBondContact O-N 3.27Å; W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.35Å; W85-Q88 PolarHBondContact O-N 3.32Å; W85-G89 PolarHBondContact O-N 3.27Å; W85-W93 AromaticContact CH2-CZ2 3.87Å; W85-W93 HydrophobicContact CH2-CZ2 3.87Å; W85-W93 HydrophobicContact CZ2-CZ2 4.46Å; W85-W93 HydrophobicContact CZ3-CZ2 4.23Å
86C74.2Confident67.5Low2 Ų256.6 Ų56.61%0.01430%0.3CS..Hα-helixtrans-63.8-38176.1-76.40000112.4C54 L82 F83 G89 R90C54-C86 VanDerWaalsContact CA-SG 3.5Å; C54-C86 HydrophobicContact CB-CB 3.59Å; C54-C86 WeakPolarHBondContact CB-SG 3.36Å; C54-C86 WeakPolarHBondContact SG-CB 3.36Å; C54-C86 CovalentContact SG-SG 2.05Å; C54-C86 PolarHBondContact SG-SG 2.91Å; L82-C86 WeakPolarHBondContact O-CB 3.25Å; L82-C86 PolarHBondContact O-N 3.2Å; L82-C86 PolarHBondContact O-SG 3.41Å; F83-C86 PolarHBondContact O-N 3.31Å; C86-G89 PolarHBondContact O-N 3.17Å; C86-R90 PolarHBondContact O-N 3.34Å
87N68.3Low67.8Low55 Ų5553.8 Ų53.829%0.29429%0.285SS..Hα-helixtrans-68-38.3174.5-81.1-24.5000112.4N58 F83 T84 W85 G89 R90N58-N87 PolarHBondContact ND2-OD1 2.9Å; F83-N87 WeakPolarHBondContact CD1-ND2 3.32Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.03Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.43Å; F83-N87 WeakPolarHBondContact O-CB 3.41Å; F83-N87 PolarHBondContact O-N 2.86Å; T84-N87 PolarHBondContact O-N 3.32Å; W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.35Å; N87-G89 PolarHBondContact O-N 3.47Å; N87-R90 WeakPolarHBondContact O-CB 3.09Å; N87-R90 PolarHBondContact O-N 2.97Å
88Q68.1Low68Low124 Ų12450.8 Ų50.858%0.57927%0.267SS*.Hα-helixtrans-64.2-33.3171.2-170.9174.63.500111.4T84 W85 R90 S91 T92T84-Q88 WeakPolarHBondContact O-CB 3.46Å; T84-Q88 PolarHBondContact O-N 3.29Å; W85-Q88 PolarHBondContact O-N 3.32Å; Q88-R90 VanDerWaalsContact C-N 3.31Å; Q88-R90 PolarHBondContact O-N 3.49Å; Q88-S91 PolarHBondContact O-N 3.16Å; Q88-S91 PolarHBondContact O-OG 3.29Å; Q88-S91 VanDerWaalsContact O-OG 3.11Å; Q88-T92 HydrophobicContact CG-CG2 4.21Å; Q88-T92 WeakPolarHBondContact O-CB 3.33Å; Q88-T92 WeakPolarHBondContact O-CG2 3.32Å; Q88-T92 PolarHBondContact O-N 3.44Å; Q88-T92 PolarHBondContact O-OG1 3.05Å
89G67.4Low68.2Low0 Ų049.2 Ų49.20%026%0.263CS..Hα-helixtrans-61.4-35.8175.100000114W85 C86 N87 S91 T92 W93 F94W85-G89 PolarHBondContact O-N 3.27Å; C86-G89 PolarHBondContact O-N 3.17Å; N87-G89 PolarHBondContact O-N 3.47Å; G89-S91 VanDerWaalsContact C-N 3.29Å; G89-S91 PolarHBondContact O-N 3.26Å; G89-T92 WeakPolarHBondContact CA-OG1 3.41Å; G89-T92 PolarHBondContact O-N 2.96Å; G89-W93 PolarHBondContact O-N 3.32Å; G89-F94 WeakPolarHBondContact O-CD1 3.5Å; G89-F94 PolarHBondContact O-N 2.83Å
90R65.6Low68.5Low83 Ų8348.3 Ų48.331%0.31326%0.258SS..Hα-helixtrans-58-37.9178.2-73.8-178170.1-176.7-0.8113.1N58 C86 N87 Q88 F94N58-R90 PolarHBondContact ND2-NH1 3.35Å; N58-R90 PolarHBondContact ND2-NH2 2.79Å; N58-R90 VanDerWaalsContact ND2-NH2 3.13Å; C86-R90 PolarHBondContact O-N 3.34Å; N87-R90 WeakPolarHBondContact O-CB 3.09Å; N87-R90 PolarHBondContact O-N 2.97Å; Q88-R90 VanDerWaalsContact C-N 3.31Å; Q88-R90 PolarHBondContact O-N 3.49Å; R90-F94 HydrophobicContact CB-CD2 4.23Å; R90-F94 HydrophobicContact CB-CE2 4.48Å; R90-F94 HydrophobicContact CG-CD2 3.66Å; R90-F94 HydrophobicContact CG-CE2 3.5Å; R90-F94 HydrophobicContact CG-CG 4.41Å; R90-F94 HydrophobicContact CG-CZ 4.12Å
91S60.5Low68.7Low96 Ų9645.3 Ų45.367%0.67125%0.245SC*.Hα-helixtrans-90.3-23.5-179.857.90000113.9Q88 G89Q88-S91 PolarHBondContact O-N 3.16Å; Q88-S91 PolarHBondContact O-OG 3.29Å; Q88-S91 VanDerWaalsContact O-OG 3.11Å; G89-S91 VanDerWaalsContact C-N 3.29Å; G89-S91 PolarHBondContact O-N 3.26Å
92T62.9Low68.5Low67 Ų6745.6 Ų45.641%0.41124%0.24SC..Hα-helixtrans-101.6-43-16952.90000114.3Q88 G89Q88-T92 HydrophobicContact CG-CG2 4.21Å; Q88-T92 WeakPolarHBondContact O-CB 3.33Å; Q88-T92 WeakPolarHBondContact O-CG2 3.32Å; Q88-T92 PolarHBondContact O-N 3.44Å; Q88-T92 PolarHBondContact O-OG1 3.05Å; G89-T92 WeakPolarHBondContact CA-OG1 3.41Å; G89-T92 PolarHBondContact O-N 2.96Å
93W71.2Confident68.4Low6 Ų648.6 Ų48.62%0.02325%0.254CS..THydrogen-bonded Turntrans-136.3-14.5-170.960.7-101000115.4F17 L40 F47 T50 M51 W85 G89 T95 N96 V97F17-W93 AromaticContact CZ-CD1 3.89Å; F17-W93 HydrophobicContact CZ-CG 4.21Å; L40-W93 HydrophobicContact CD1-CB 4.22Å; L40-W93 HydrophobicContact CD2-CB 4.45Å; F47-W93 HydrophobicContact CB-CZ3 4.45Å; F47-W93 HydrophobicContact CD1-CH2 4.48Å; F47-W93 HydrophobicContact CD1-CZ3 4.32Å; T50-W93 HydrophobicContact CG2-CH2 3.88Å; T50-W93 HydrophobicContact CG2-CZ2 4.29Å; M51-W93 HydrophobicContact CB-CH2 4.47Å; M51-W93 HydrophobicContact CB-CZ3 4.18Å; W85-W93 AromaticContact CH2-CZ2 3.87Å; W85-W93 HydrophobicContact CH2-CZ2 3.87Å; W85-W93 HydrophobicContact CZ2-CZ2 4.46Å; W85-W93 HydrophobicContact CZ3-CZ2 4.23Å; G89-W93 PolarHBondContact O-N 3.32Å; W93-T95 VanDerWaalsContact C-N 3.29Å; W93-T95 PolarHBondContact O-N 3.5Å; W93-N96 PolarHBondContact O-N 2.96Å; W93-N96 VanDerWaalsContact O-N 3.09Å; W93-V97 HydrophobicContact CE3-CB 4.34Å; W93-V97 HydrophobicContact CE3-CG2 3.55Å; W93-V97 HydrophobicContact CZ3-CG2 3.98Å; W93-V97 WeakPolarHBondContact O-CG2 3.42Å; W93-V97 PolarHBondContact O-N 3.39Å
94F70.7Confident68.5Low10 Ų1048.9 Ų48.94%0.04426%0.255CS..Hα-helixtrans-57.4-42.9177.7-84.830.2000112M51 C54 L55 G89 R90 N96 V97 F98M51-F94 HydrophobicContact CB-CE1 4.45Å; M51-F94 HydrophobicContact CB-CZ 4.47Å; M51-F94 HydrophobicContact CE-CB 4.08Å; M51-F94 HydrophobicContact CE-CD2 3.67Å; M51-F94 HydrophobicContact CE-CE2 4.37Å; M51-F94 HydrophobicContact CE-CG 4.04Å; M51-F94 HydrophobicContact CG-CD1 4.14Å; M51-F94 HydrophobicContact CG-CD2 3.78Å; M51-F94 HydrophobicContact CG-CE1 4.12Å; M51-F94 HydrophobicContact CG-CE2 3.74Å; M51-F94 HydrophobicContact CG-CG 3.98Å; M51-F94 HydrophobicContact CG-CZ 3.92Å; M51-F94 HydrophobicContact SD-CB 4.47Å; M51-F94 HydrophobicContact SD-CD2 4.3Å; M51-F94 HydrophobicContact SD-CG 4.27Å; C54-F94 HydrophobicContact CB-CZ 3.8Å; L55-F94 HydrophobicContact CD2-CE2 4.06Å; L55-F94 HydrophobicContact CG-CE2 4.22Å; G89-F94 WeakPolarHBondContact O-CD1 3.5Å; G89-F94 PolarHBondContact O-N 2.83Å; R90-F94 HydrophobicContact CB-CD2 4.23Å; R90-F94 HydrophobicContact CB-CE2 4.48Å; R90-F94 HydrophobicContact CG-CD2 3.66Å; R90-F94 HydrophobicContact CG-CE2 3.5Å; R90-F94 HydrophobicContact CG-CG 4.41Å; R90-F94 HydrophobicContact CG-CZ 4.12Å; F94-N96 VanDerWaalsContact C-N 3.33Å; F94-N96 PolarHBondContact O-N 3.46Å; F94-V97 PolarHBondContact O-N 2.95Å; F94-F98 VanDerWaalsContact O-CB 3.29Å; F94-F98 WeakPolarHBondContact O-CB 3.45Å; F94-F98 PolarHBondContact O-N 2.85Å
95T65.4Low68.6Low87 Ų8745.9 Ų45.953%0.53424%0.238SC..Hα-helixtrans-63.7-38.8176.8-45.40000111.8W93 F98 T99W93-T95 VanDerWaalsContact C-N 3.29Å; W93-T95 PolarHBondContact O-N 3.5Å; T95-F98 PolarHBondContact O-N 3.4Å; T95-T99 WeakPolarHBondContact O-CB 3.41Å; T95-T99 VanDerWaalsContact O-CG2 3.27Å; T95-T99 WeakPolarHBondContact O-CG2 3.37Å; T95-T99 PolarHBondContact O-N 3.4Å; T95-T99 PolarHBondContact O-OG1 3.09Å
96N66.6Low68.6Low37 Ų3752.2 Ų52.220%0.19826%0.262CS..Hα-helixtrans-70.7-40.9178.9-67.9-8.5000111.3L40 W93 F94 T99 L100L40-N96 HydrophobicContact CD1-CB 3.61Å; W93-N96 PolarHBondContact O-N 2.96Å; W93-N96 VanDerWaalsContact O-N 3.09Å; F94-N96 VanDerWaalsContact C-N 3.33Å; F94-N96 PolarHBondContact O-N 3.46Å; N96-T99 VanDerWaalsContact CA-OG1 3.31Å; N96-T99 WeakPolarHBondContact CA-OG1 3.41Å; N96-T99 PolarHBondContact O-N 3.29Å; N96-T99 PolarHBondContact O-OG1 3.44Å; N96-L100 VanDerWaalsContact O-CB 3.31Å; N96-L100 WeakPolarHBondContact O-CB 3.24Å; N96-L100 WeakPolarHBondContact O-CG 3.12Å; N96-L100 PolarHBondContact O-N 3.44Å
97V68.1Low68.4Low0 Ų053.5 Ų53.50%027%0.267CS..Hα-helixtrans-65.5-42.4174.4173.20000111.3L40 F47 W48 W93 F94 L100 M101L40-V97 HydrophobicContact CD1-CG2 4.11Å; L40-V97 HydrophobicContact CD2-CG2 3.7Å; L40-V97 HydrophobicContact CG-CG2 4.33Å; F47-V97 HydrophobicContact CB-CG1 4.3Å; F47-V97 HydrophobicContact CB-CG2 3.77Å; F47-V97 HydrophobicContact CG-CG2 4.48Å; W48-V97 HydrophobicContact CE3-CG1 4.14Å; W93-V97 HydrophobicContact CE3-CB 4.34Å; W93-V97 HydrophobicContact CE3-CG2 3.55Å; W93-V97 HydrophobicContact CZ3-CG2 3.98Å; W93-V97 WeakPolarHBondContact O-CG2 3.42Å; W93-V97 PolarHBondContact O-N 3.39Å; F94-V97 PolarHBondContact O-N 2.95Å; V97-L100 PolarHBondContact O-N 2.87Å; V97-M101 WeakPolarHBondContact O-CB 3.11Å; V97-M101 WeakPolarHBondContact O-CG 3.25Å; V97-M101 PolarHBondContact O-N 2.76Å
98F67.4Low68.3Low45 Ų4551.2 Ų51.220%0.19726%0.255CS..Hα-helixtrans-60.3-47.2175.8-175.8-84.4000111.7F94 T95 M101 Y102 L565 I569F94-F98 VanDerWaalsContact O-CB 3.29Å; F94-F98 WeakPolarHBondContact O-CB 3.45Å; F94-F98 PolarHBondContact O-N 2.85Å; T95-F98 PolarHBondContact O-N 3.4Å; F98-M101 PolarHBondContact O-N 3.05Å; F98-Y102 WeakPolarHBondContact O-CB 3.26Å; F98-Y102 PolarHBondContact O-N 3.45Å; F98-L565 HydrophobicContact CD2-CD1 4.05Å; F98-L565 HydrophobicContact CE2-CD1 3.97Å; F98-I569 HydrophobicContact CD2-CD1 3.68Å; F98-I569 HydrophobicContact CD2-CG1 3.89Å; F98-I569 HydrophobicContact CE1-CG1 4.5Å; F98-I569 HydrophobicContact CE2-CD1 3.53Å; F98-I569 HydrophobicContact CE2-CG1 3.18Å; F98-I569 HydrophobicContact CG-CD1 4.5Å; F98-I569 HydrophobicContact CZ-CD1 4.22Å; F98-I569 HydrophobicContact CZ-CG1 3.55Å
99T67.7Low68.5Low53 Ų5349.1 Ų49.133%0.32524%0.244SC..Hα-helixtrans-66.8-38.7178.1500000112.3T95 N96 Y102 H103T95-T99 WeakPolarHBondContact O-CB 3.41Å; T95-T99 VanDerWaalsContact O-CG2 3.27Å; T95-T99 WeakPolarHBondContact O-CG2 3.37Å; T95-T99 PolarHBondContact O-N 3.4Å; T95-T99 PolarHBondContact O-OG1 3.09Å; N96-T99 VanDerWaalsContact CA-OG1 3.31Å; N96-T99 WeakPolarHBondContact CA-OG1 3.41Å; N96-T99 PolarHBondContact O-N 3.29Å; N96-T99 PolarHBondContact O-OG1 3.44Å; T99-Y102 WeakPolarHBondContact O-CB 3.39Å; T99-Y102 PolarHBondContact O-N 2.94Å; T99-H103 WeakPolarHBondContact O-CB 3.27Å; T99-H103 PolarHBondContact O-CD2 3.04Å; T99-H103 VanDerWaalsContact O-CG 3.32Å; T99-H103 PolarHBondContact O-N 2.86Å
100L72.4Confident68.8Low24 Ų2451.8 Ų51.813%0.12626%0.26CS..Hα-helixtrans-66.3-40.7174.6-73169.6000112.2L40 N41 L44 N96 V97 Y102 H103 H104L40-L100 HydrophobicContact CB-CD1 3.56Å; L40-L100 HydrophobicContact CD1-CD1 4.38Å; N41-L100 HydrophobicContact CB-CD1 4.4Å; N41-L100 HydrophobicContact CB-CD2 4.42Å; L44-L100 HydrophobicContact CD1-CB 3.61Å; L44-L100 HydrophobicContact CD1-CD1 4.48Å; N96-L100 VanDerWaalsContact O-CB 3.31Å; N96-L100 WeakPolarHBondContact O-CB 3.24Å; N96-L100 WeakPolarHBondContact O-CG 3.12Å; N96-L100 PolarHBondContact O-N 3.44Å; V97-L100 PolarHBondContact O-N 2.87Å; L100-Y102 VanDerWaalsContact C-N 3.35Å; L100-H103 PolarHBondContact O-N 3.29Å; L100-H104 WeakPolarHBondContact O-CB 3.45Å; L100-H104 PolarHBondContact O-CD2 2.86Å; L100-H104 VanDerWaalsContact O-CD2 3.27Å; L100-H104 PolarHBondContact O-N 3.5Å
101M70.4Confident68.9Low49 Ų4948 Ų4824%0.24125%0.246CC..Hα-helixtrans-63.1-41.8173.7-81.9-63.6-67.900111.8L44 W48 V97 F98 H104 S105L44-M101 HydrophobicContact CD1-CG 3.96Å; L44-M101 HydrophobicContact CD1-SD 4.15Å; L44-M101 HydrophobicContact CD2-CG 4.3Å; L44-M101 HydrophobicContact CD2-SD 3.58Å; L44-M101 VanDerWaalsContact CD2-SD 3.58Å; L44-M101 HydrophobicContact CG-CG 4.1Å; L44-M101 HydrophobicContact CG-SD 3.6Å; W48-M101 HydrophobicContact CB-CG 4.42Å; W48-M101 HydrophobicContact CB-SD 4.34Å; W48-M101 HydrophobicContact CD2-CE 3.99Å; W48-M101 HydrophobicContact CD2-CG 3.93Å; W48-M101 HydrophobicContact CD2-SD 4.37Å; W48-M101 HydrophobicContact CE3-CB 4.36Å; W48-M101 HydrophobicContact CE3-CG 3.62Å; W48-M101 HydrophobicContact CG-CE 4.07Å; W48-M101 HydrophobicContact CG-CG 4.3Å; W48-M101 HydrophobicContact CG-SD 4.26Å; W48-M101 HydrophobicContact CZ3-CG 4.25Å; V97-M101 WeakPolarHBondContact O-CB 3.11Å; V97-M101 WeakPolarHBondContact O-CG 3.25Å; V97-M101 PolarHBondContact O-N 2.76Å; F98-M101 PolarHBondContact O-N 3.05Å; M101-H104 PolarHBondContact O-N 3.48Å; M101-S105 PolarHBondContact O-N 3.09Å
102Y66.7Low69.3Low50 Ų5046.3 Ų46.320%0.19623%0.229CC..Hα-helixtrans-56.8-53171.6176.2-98.2000110.9F98 T99 L100 H104 S105 E108 C573 Q576F98-Y102 WeakPolarHBondContact O-CB 3.26Å; F98-Y102 PolarHBondContact O-N 3.45Å; T99-Y102 WeakPolarHBondContact O-CB 3.39Å; T99-Y102 PolarHBondContact O-N 2.94Å; L100-Y102 VanDerWaalsContact C-N 3.35Å; Y102-H104 PolarHBondContact O-N 3.13Å; Y102-S105 WeakPolarHBondContact O-CB 3.44Å; Y102-S105 PolarHBondContact O-N 2.94Å; Y102-S105 PolarHBondContact O-OG 3.45Å; Y102-E108 WeakPolarHBondContact CD1-OE2 3.25Å; Y102-E108 WeakPolarHBondContact CE1-OE2 3.32Å; Y102-C573 VanDerWaalsContact CD2-SG 3.57Å; Y102-Q576 WeakPolarHBondContact OH-CG 3.4Å
103H68.4Low69.9Low66 Ų6649.8 Ų49.831%0.30624%0.239SC..Hα-helixtrans-60.8-27.1177.7-73.8-46.6000114.9T99 L100 E108T99-H103 WeakPolarHBondContact O-CB 3.27Å; T99-H103 PolarHBondContact O-CD2 3.04Å; T99-H103 VanDerWaalsContact O-CG 3.32Å; T99-H103 PolarHBondContact O-N 2.86Å; L100-H103 PolarHBondContact O-N 3.29Å; H103-E108 WeakPolarHBondContact CA-OE2 3.48Å; H103-E108 IonicContact CE1-OE1 3.6Å; H103-E108 IonicContact CG-OE1 2.86Å; H103-E108 PolarHBondContact N-OE2 3.31Å; H103-E108 IonicContact ND1-OE1 3.45Å; H103-E108 PolarHBondContact ND1-OE1 2.87Å; H103-E108 IonicContact ND1-OE2 3.69Å; H103-E108 PolarHBondContact ND1-OE2 2.93Å
104H71.3Confident69.9Low51 Ų5152.3 Ų52.324%0.23625%0.252CS..Hα-helixtrans-92.2-7.2175.5-81.6-71.1000114.7N41 L44 L100 M101 Y102 K109N41-H104 PolarHBondContact OD1-NE2 2.82Å; L44-H104 HydrophobicContact CD2-CB 4.05Å; L100-H104 WeakPolarHBondContact O-CB 3.45Å; L100-H104 PolarHBondContact O-CD2 2.86Å; L100-H104 VanDerWaalsContact O-CD2 3.27Å; L100-H104 PolarHBondContact O-N 3.5Å; M101-H104 PolarHBondContact O-N 3.48Å; Y102-H104 PolarHBondContact O-N 3.13Å; H104-K109 PolarHBondContact ND1-NZ 3.31Å; H104-K109 WeakPolarHBondContact O-CE 3.02Å; H104-K109 PolarHBondContact O-NZ 2.88Å
105S71.4Confident69.9Low20 Ų2054.4 Ų54.414%0.1426%0.262CS..  trans-56.6141.5177.774.90000111.1M101 Y102 Q107 E108 K109M101-S105 PolarHBondContact O-N 3.09Å; Y102-S105 WeakPolarHBondContact O-CB 3.44Å; Y102-S105 PolarHBondContact O-N 2.94Å; Y102-S105 PolarHBondContact O-OG 3.45Å; S105-Q107 PolarHBondContact O-N 3.02Å; S105-E108 PolarHBondContact O-N 3.38Å; S105-E108 VanDerWaalsContact OG-CB 3.32Å; S105-E108 WeakPolarHBondContact OG-CB 3.28Å; S105-E108 PolarHBondContact OG-N 3.27Å; S105-K109 WeakPolarHBondContact O-CG 3.16Å; S105-K109 PolarHBondContact O-N 2.71Å; S105-K109 VanDerWaalsContact O-N 3.16Å
106W75.1Confident70.3Confident172 Ų17255.6 Ų55.665%0.65226%0.26SS*.Hα-helixtrans-64.3-31177.471.9-91.6000111.3K109 V110W106-K109 PolarHBondContact O-N 2.98Å; W106-V110 HydrophobicContact CE3-CG2 4.03Å; W106-V110 HydrophobicContact CZ3-CG2 4.48Å; W106-V110 WeakPolarHBondContact O-CB 3.43Å; W106-V110 VanDerWaalsContact O-CG2 3.25Å; W106-V110 WeakPolarHBondContact O-CG2 3.01Å; W106-V110 PolarHBondContact O-N 3.38Å
107Q70.7Confident70.7Confident28 Ų2861.7 Ų61.713%0.13128%0.281CS..Hα-helixtrans-67.2-43.6-179.7-66-178.7-12.400111.9S105 S111 C573S105-Q107 PolarHBondContact O-N 3.02Å; Q107-S111 VanDerWaalsContact O-CB 3.28Å; Q107-S111 WeakPolarHBondContact O-CB 3.32Å; Q107-S111 PolarHBondContact O-N 2.92Å; Q107-C573 HydrophobicContact CB-CB 3.97Å; Q107-C573 HydrophobicContact CG-CB 4.41Å; Q107-C573 PolarHBondContact OE1-O 3.38Å
108E67.1Low71.3Confident8 Ų864.5 Ų64.54%0.03730%0.296CS..Hα-helixtrans-65.5-45.8173.3-174.8178.8157.600110.9Y102 H103 S105 V110 S111 I112Y102-E108 WeakPolarHBondContact CD1-OE2 3.25Å; Y102-E108 WeakPolarHBondContact CE1-OE2 3.32Å; H103-E108 WeakPolarHBondContact CA-OE2 3.48Å; H103-E108 IonicContact CE1-OE1 3.6Å; H103-E108 IonicContact CG-OE1 2.86Å; H103-E108 PolarHBondContact N-OE2 3.31Å; H103-E108 IonicContact ND1-OE1 3.45Å; H103-E108 PolarHBondContact ND1-OE1 2.87Å; H103-E108 IonicContact ND1-OE2 3.69Å; H103-E108 PolarHBondContact ND1-OE2 2.93Å; S105-E108 PolarHBondContact O-N 3.38Å; S105-E108 VanDerWaalsContact OG-CB 3.32Å; S105-E108 WeakPolarHBondContact OG-CB 3.28Å; S105-E108 PolarHBondContact OG-N 3.27Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 2.84Å; E108-S111 PolarHBondContact O-N 3.19Å; E108-I112 HydrophobicContact CG-CD1 3.67Å; E108-I112 HydrophobicContact CG-CG1 4.22Å; E108-I112 WeakPolarHBondContact O-CB 3.14Å; E108-I112 WeakPolarHBondContact O-CG1 3.42Å; E108-I112 PolarHBondContact O-N 3.34Å
109K71.4Confident71.7Confident80 Ų8063 Ų6335%0.34829%0.291SS..Hα-helixtrans-57.4-43177.3-75.3170.9177.7158.70112.3H104 S105 W106 K113H104-K109 PolarHBondContact ND1-NZ 3.31Å; H104-K109 WeakPolarHBondContact O-CE 3.02Å; H104-K109 PolarHBondContact O-NZ 2.88Å; S105-K109 WeakPolarHBondContact O-CG 3.16Å; S105-K109 PolarHBondContact O-N 2.71Å; S105-K109 VanDerWaalsContact O-N 3.16Å; W106-K109 PolarHBondContact O-N 2.98Å; K109-K113 WeakPolarHBondContact O-CB 3.38Å; K109-K113 VanDerWaalsContact O-CG 3.28Å; K109-K113 WeakPolarHBondContact O-CG 3.29Å; K109-K113 PolarHBondContact O-N 2.86Å
110V72.8Confident72.2Confident56 Ų5662.7 Ų62.734%0.33929%0.29SS..Hα-helixtrans-68.7-44.9176.6169.30000110.8W106 E108 I112 K113 L114 L577W106-V110 HydrophobicContact CE3-CG2 4.03Å; W106-V110 HydrophobicContact CZ3-CG2 4.48Å; W106-V110 WeakPolarHBondContact O-CB 3.43Å; W106-V110 VanDerWaalsContact O-CG2 3.25Å; W106-V110 WeakPolarHBondContact O-CG2 3.01Å; W106-V110 PolarHBondContact O-N 3.38Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 2.84Å; V110-I112 PolarHBondContact O-N 2.82Å; V110-K113 PolarHBondContact O-N 3.42Å; V110-L114 HydrophobicContact CG1-CD1 3.72Å; V110-L114 HydrophobicContact CG1-CG 4.18Å; V110-L114 WeakPolarHBondContact O-CB 3.49Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.38Å; V110-L114 PolarHBondContact O-N 3.16Å; V110-L577 HydrophobicContact CG1-CD1 4.34Å
111S68.8Low72.6Confident3 Ų367.2 Ų67.22%0.02131%0.308CS..Hα-helixtrans-58.9-46177.6-172.70000111.7Q107 E108 L114 Q115 Q576Q107-S111 VanDerWaalsContact O-CB 3.28Å; Q107-S111 WeakPolarHBondContact O-CB 3.32Å; Q107-S111 PolarHBondContact O-N 2.92Å; E108-S111 PolarHBondContact O-N 3.19Å; S111-L114 PolarHBondContact O-N 2.9Å; S111-Q115 WeakPolarHBondContact O-CB 3.25Å; S111-Q115 VanDerWaalsContact O-CG 3.25Å; S111-Q115 WeakPolarHBondContact O-CG 3.43Å; S111-Q115 PolarHBondContact O-N 3.35Å; S111-Q115 PolarHBondContact OG-NE2 3.13Å; S111-Q576 PolarHBondContact OG-O 3.32Å
112I69.7Low73.2Confident61 Ų6165.5 Ų65.531%0.31330%0.3SS..Hα-helixtrans-64-45.2176.4-67170.5000111.1E108 V110 Q115 K116 P718E108-I112 HydrophobicContact CG-CD1 3.67Å; E108-I112 HydrophobicContact CG-CG1 4.22Å; E108-I112 WeakPolarHBondContact O-CB 3.14Å; E108-I112 WeakPolarHBondContact O-CG1 3.42Å; E108-I112 PolarHBondContact O-N 3.34Å; V110-I112 PolarHBondContact O-N 2.82Å; I112-Q115 PolarHBondContact O-N 3.2Å; I112-K116 VanDerWaalsContact O-CB 3.25Å; I112-K116 WeakPolarHBondContact O-CB 3.06Å; I112-K116 PolarHBondContact O-N 3.47Å; I112-P718 HydrophobicContact CD1-CB 3.63Å; I112-P718 HydrophobicContact CD1-CG 3.8Å; I112-P718 HydrophobicContact CG1-CB 4.36Å
113K73.5Confident73.9Confident139 Ų13964.2 Ų64.260%0.60430%0.297SS*.Hα-helixtrans-62.2-45.3177.8-78.2178.9-179.8-175.70111.7K109 V110 K116 Y117K109-K113 WeakPolarHBondContact O-CB 3.38Å; K109-K113 VanDerWaalsContact O-CG 3.28Å; K109-K113 WeakPolarHBondContact O-CG 3.29Å; K109-K113 PolarHBondContact O-N 2.86Å; V110-K113 PolarHBondContact O-N 3.42Å; K113-K116 PolarHBondContact O-N 2.99Å; K113-Y117 VanDerWaalsContact O-CD2 3.28Å; K113-Y117 WeakPolarHBondContact O-CD2 3.41Å; K113-Y117 PolarHBondContact O-N 3.15Å; K113-Y117 VanDerWaalsContact O-N 3.14Å
114L71.5Confident74.7Confident59 Ų5965.9 Ų65.931%0.30931%0.307SS..Hα-helixtrans-59.5-48.5175.8-75.4171.6000110.5V110 S111 K116 L118 I584V110-L114 HydrophobicContact CG1-CD1 3.72Å; V110-L114 HydrophobicContact CG1-CG 4.18Å; V110-L114 WeakPolarHBondContact O-CB 3.49Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.38Å; V110-L114 PolarHBondContact O-N 3.16Å; S111-L114 PolarHBondContact O-N 2.9Å; L114-K116 PolarHBondContact O-N 2.97Å; L114-L118 WeakPolarHBondContact O-CA 3.32Å; L114-L118 WeakPolarHBondContact O-CB 3.28Å; L114-L118 PolarHBondContact O-N 3.26Å; L114-I584 HydrophobicContact CB-CD1 4.07Å
115Q71.7Confident75.4Confident55 Ų5566 Ų6626%0.25731%0.309SS..Hα-helixtrans-63.3-39.6177.9-71.6177.122.600112.4S111 I112 Y117 V119S111-Q115 WeakPolarHBondContact O-CB 3.25Å; S111-Q115 VanDerWaalsContact O-CG 3.25Å; S111-Q115 WeakPolarHBondContact O-CG 3.43Å; S111-Q115 PolarHBondContact O-N 3.35Å; S111-Q115 PolarHBondContact OG-NE2 3.13Å; I112-Q115 PolarHBondContact O-N 3.2Å; Q115-Y117 PolarHBondContact O-N 3.3Å; Q115-V119 HydrophobicContact CB-CG2 4.43Å; Q115-V119 WeakPolarHBondContact O-CB 3.45Å; Q115-V119 WeakPolarHBondContact O-CG2 3.39Å
116K72.8Confident76.1Confident111 Ų11165.1 Ų65.148%0.48330%0.303SS..Hα-helixtrans-66.9-38.2-177.9-172.5173.4-178.5175.40113.1I112 K113 L114 P120I112-K116 VanDerWaalsContact O-CB 3.25Å; I112-K116 WeakPolarHBondContact O-CB 3.06Å; I112-K116 PolarHBondContact O-N 3.47Å; K113-K116 PolarHBondContact O-N 2.99Å; L114-K116 PolarHBondContact O-N 2.97Å; K116-P120 VanDerWaalsContact O-CD 3.31Å; K116-P120 WeakPolarHBondContact O-CD 3.25Å; K116-P120 VanDerWaalsContact O-CG 3.3Å; K116-P120 WeakPolarHBondContact O-CG 3.47Å
117Y76.7Confident76.6Confident165 Ų16557.6 Ų57.665%0.64728%0.276SS*.Hα-helixtrans-104.1-42.8-173.8-65.8-67000114K113 Q115K113-Y117 VanDerWaalsContact O-CD2 3.28Å; K113-Y117 WeakPolarHBondContact O-CD2 3.41Å; K113-Y117 PolarHBondContact O-N 3.15Å; K113-Y117 VanDerWaalsContact O-N 3.14Å; Q115-Y117 PolarHBondContact O-N 3.3Å
118L79.6Confident77.4Confident59 Ų5960.7 Ų60.731%0.30929%0.293SS..Hα-helixtrans-74.6-36.2-174.5-168.268.1000111.5L114 F121 L122 I584L114-L118 WeakPolarHBondContact O-CA 3.32Å; L114-L118 WeakPolarHBondContact O-CB 3.28Å; L114-L118 PolarHBondContact O-N 3.26Å; L118-F121 PolarHBondContact O-N 3.46Å; L118-L122 HydrophobicContact CD2-CD1 4.26Å; L118-L122 HydrophobicContact CG-CD1 3.9Å; L118-L122 HydrophobicContact CG-CG 4.23Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 VanDerWaalsContact O-CG 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.32Å; L118-L122 PolarHBondContact O-N 3.38Å; L118-I584 HydrophobicContact CD2-CB 4.49Å; L118-I584 HydrophobicContact CD2-CD1 3.88Å; L118-I584 HydrophobicContact CD2-CG1 4.13Å; L118-I584 HydrophobicContact CD2-CG2 3.54Å
119V75.7Confident78.3Confident15 Ų1560.8 Ų60.89%0.09130%0.295CS..Hα-helixtrans-66.9-47-176.1174.80000112.6Q115 F121 L122 L123 F188 I192 I584Q115-V119 HydrophobicContact CB-CG2 4.43Å; Q115-V119 WeakPolarHBondContact O-CB 3.45Å; Q115-V119 WeakPolarHBondContact O-CG2 3.39Å; V119-F121 VanDerWaalsContact C-N 3.3Å; V119-F121 PolarHBondContact O-N 3.47Å; V119-L122 PolarHBondContact O-N 3.13Å; V119-L123 WeakPolarHBondContact O-CB 3.36Å; V119-L123 PolarHBondContact O-N 3.37Å; V119-F188 HydrophobicContact CG1-CD1 4.41Å; V119-F188 HydrophobicContact CG1-CE1 3.22Å; V119-F188 HydrophobicContact CG1-CE2 4.28Å; V119-F188 HydrophobicContact CG1-CZ 3.14Å; V119-I192 HydrophobicContact CG1-CD1 3.77Å; V119-I192 HydrophobicContact CG1-CG1 4.32Å; V119-I584 HydrophobicContact CG2-CG1 4.36Å
120P77.8Confident79.1Confident46 Ų4657 Ų5730%0.29928%0.278SS..Hα-helixtrans-62-37173.6-23.734.6000113K116 L123 L124 I192K116-P120 VanDerWaalsContact O-CD 3.31Å; K116-P120 WeakPolarHBondContact O-CD 3.25Å; K116-P120 VanDerWaalsContact O-CG 3.3Å; K116-P120 WeakPolarHBondContact O-CG 3.47Å; P120-L123 WeakPolarHBondContact O-CB 3.3Å; P120-L123 PolarHBondContact O-N 3.03Å; P120-L124 PolarHBondContact O-N 2.97Å; P120-I192 HydrophobicContact CG-CG2 4.13Å
121F82Confident79.8Confident118 Ų11858 Ų5852%0.51828%0.281SS..Hα-helixtrans-65-44.9176.5178.9-104.7000112L118 V119 L123 L124 I125L118-F121 PolarHBondContact O-N 3.46Å; V119-F121 VanDerWaalsContact C-N 3.3Å; V119-F121 PolarHBondContact O-N 3.47Å; F121-L123 VanDerWaalsContact C-N 3.33Å; F121-L123 PolarHBondContact O-N 2.91Å; F121-L124 WeakPolarHBondContact O-CB 3.31Å; F121-L124 PolarHBondContact O-N 3.48Å; F121-I125 HydrophobicContact CD1-CD1 3.82Å; F121-I125 HydrophobicContact CE1-CD1 3.27Å; F121-I125 HydrophobicContact CE1-CG1 4.34Å; F121-I125 HydrophobicContact CE2-CD1 4.32Å; F121-I125 HydrophobicContact CZ-CD1 3.57Å; F121-I125 HydrophobicContact CZ-CG1 4.36Å; F121-I125 WeakPolarHBondContact O-CG1 3.43Å; F121-I125 PolarHBondContact O-N 2.85Å; F121-I125 VanDerWaalsContact O-N 3.08Å
122L82.3Confident80.6Confident13 Ų1362.2 Ų62.27%0.06830%0.303CS..Hα-helixtrans-63.8-38.3174.3-73.3173.9000111.8L118 V119 L124 I125 N126 I584 S587 Q588L118-L122 HydrophobicContact CD2-CD1 4.26Å; L118-L122 HydrophobicContact CG-CD1 3.9Å; L118-L122 HydrophobicContact CG-CG 4.23Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 VanDerWaalsContact O-CG 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.32Å; L118-L122 PolarHBondContact O-N 3.38Å; V119-L122 PolarHBondContact O-N 3.13Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 2.72Å; L122-I125 PolarHBondContact O-N 3.49Å; L122-N126 WeakPolarHBondContact O-CB 3.46Å; L122-N126 PolarHBondContact O-N 3.45Å; L122-N126 PolarHBondContact O-ND2 3.48Å; L122-I584 HydrophobicContact CD1-CG2 3.81Å; L122-S587 WeakPolarHBondContact CD1-OG 3.34Å; L122-Q588 HydrophobicContact CD1-CG 4.19Å; L122-Q588 HydrophobicContact CD2-CG 4.05Å
123L81.9Confident81.3Confident23 Ų2359.3 Ų59.312%0.1229%0.288CS..Hα-helixtrans-57.8-46.7173.3176.460.8000111V119 P120 F121 I125 N126 C127 L184 F188 I192V119-L123 WeakPolarHBondContact O-CB 3.36Å; V119-L123 PolarHBondContact O-N 3.37Å; P120-L123 WeakPolarHBondContact O-CB 3.3Å; P120-L123 PolarHBondContact O-N 3.03Å; F121-L123 VanDerWaalsContact C-N 3.33Å; F121-L123 PolarHBondContact O-N 2.91Å; L123-I125 PolarHBondContact O-N 3Å; L123-N126 PolarHBondContact O-N 3.06Å; L123-C127 WeakPolarHBondContact O-CB 3.37Å; L123-C127 PolarHBondContact O-N 2.96Å; L123-C127 PolarHBondContact O-SG 3.28Å; L123-C127 VanDerWaalsContact O-SG 3.36Å; L123-L184 HydrophobicContact CD1-CB 3.76Å; L123-L184 HydrophobicContact CD1-CD2 3.93Å; L123-L184 HydrophobicContact CD1-CG 4.32Å; L123-F188 HydrophobicContact CB-CD1 4.19Å; L123-F188 HydrophobicContact CB-CE1 4.24Å; L123-F188 HydrophobicContact CD1-CD1 3.88Å; L123-F188 HydrophobicContact CD2-CD1 4.16Å; L123-F188 HydrophobicContact CG-CD1 4.29Å; L123-I192 HydrophobicContact CD2-CD1 3.94Å
124L84.7Confident81.9Confident101 Ų10154.1 Ų54.153%0.52927%0.266SS..Hα-helixtrans-58.8-47.1177.3-175.571.6000111.5P120 F121 L122 N126 C127 L128P120-L124 PolarHBondContact O-N 2.97Å; F121-L124 WeakPolarHBondContact O-CB 3.31Å; F121-L124 PolarHBondContact O-N 3.48Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 2.72Å; L124-N126 PolarHBondContact O-N 2.74Å; L124-C127 PolarHBondContact O-N 3.01Å; L124-L128 HydrophobicContact CG-CD1 4.14Å; L124-L128 WeakPolarHBondContact O-CB 3.43Å; L124-L128 WeakPolarHBondContact O-CG 3.47Å; L124-L128 PolarHBondContact O-N 2.86Å
125I86.4Confident82.5Confident55 Ų5554.4 Ų54.428%0.28227%0.27SS..Hα-helixtrans-61.6-44.3178.2-67.3173.6000111.2F121 L122 L123 L128 S129 V591F121-I125 HydrophobicContact CD1-CD1 3.82Å; F121-I125 HydrophobicContact CE1-CD1 3.27Å; F121-I125 HydrophobicContact CE1-CG1 4.34Å; F121-I125 HydrophobicContact CE2-CD1 4.32Å; F121-I125 HydrophobicContact CZ-CD1 3.57Å; F121-I125 HydrophobicContact CZ-CG1 4.36Å; F121-I125 WeakPolarHBondContact O-CG1 3.43Å; F121-I125 PolarHBondContact O-N 2.85Å; F121-I125 VanDerWaalsContact O-N 3.08Å; L122-I125 PolarHBondContact O-N 3.49Å; L123-I125 PolarHBondContact O-N 3Å; I125-L128 PolarHBondContact O-N 3.19Å; I125-S129 WeakPolarHBondContact O-CB 3.2Å; I125-S129 PolarHBondContact O-N 2.9Å; I125-V591 HydrophobicContact CG2-CB 4.44Å; I125-V591 HydrophobicContact CG2-CG1 3.8Å; I125-V591 HydrophobicContact CG2-CG2 3.96Å
126N85.3Confident82.7Confident1 Ų152 Ų521%0.00526%0.261CS..Hα-helixtrans-61.4-46.2177.3-79.1-64.4000111.7L122 L123 L124 S129 L130 L184 S587 F590 V591L122-N126 WeakPolarHBondContact O-CB 3.46Å; L122-N126 PolarHBondContact O-N 3.45Å; L122-N126 PolarHBondContact O-ND2 3.48Å; L123-N126 PolarHBondContact O-N 3.06Å; L124-N126 PolarHBondContact O-N 2.74Å; N126-S129 PolarHBondContact O-N 2.95Å; N126-L130 WeakPolarHBondContact O-CB 3.25Å; N126-L130 WeakPolarHBondContact O-CG 3.28Å; N126-L130 PolarHBondContact O-N 3.32Å; N126-L184 HydrophobicContact CB-CD1 3.66Å; N126-S587 PolarHBondContact ND2-O 3.1Å; N126-F590 HydrophobicContact CB-CB 4.33Å; N126-F590 WeakPolarHBondContact OD1-CA 2.81Å; N126-F590 WeakPolarHBondContact OD1-CB 3.24Å; N126-F590 PolarHBondContact OD1-N 2.9Å; N126-V591 WeakPolarHBondContact OD1-CG2 3.27Å; N126-V591 PolarHBondContact OD1-N 3.26Å
127C86.6Confident83Confident14 Ų1446.8 Ų46.810%0.09524%0.238CC..Hα-helixtrans-60.7-45.8177.2-730000111.3L123 L124 L130 I131 L181L123-C127 WeakPolarHBondContact O-CB 3.37Å; L123-C127 PolarHBondContact O-N 2.96Å; L123-C127 PolarHBondContact O-SG 3.28Å; L123-C127 VanDerWaalsContact O-SG 3.36Å; L124-C127 PolarHBondContact O-N 3.01Å; C127-L130 PolarHBondContact O-N 3.06Å; C127-I131 WeakPolarHBondContact O-CB 3.38Å; C127-I131 WeakPolarHBondContact O-CD1 3.44Å; C127-I131 WeakPolarHBondContact O-CG1 3.36Å; C127-I131 PolarHBondContact O-N 3.3Å; C127-L181 HydrophobicContact CB-CD1 4.11Å
128L86.9Confident83.2Confident93 Ų9345.3 Ų45.349%0.48723%0.232SC..Hα-helixtrans-61.7-46176.7-72.2172.3000111.9L124 I125 L130 I131 L132L124-L128 HydrophobicContact CG-CD1 4.14Å; L124-L128 WeakPolarHBondContact O-CB 3.43Å; L124-L128 WeakPolarHBondContact O-CG 3.47Å; L124-L128 PolarHBondContact O-N 2.86Å; I125-L128 PolarHBondContact O-N 3.19Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L130 PolarHBondContact O-N 2.83Å; L128-I131 PolarHBondContact O-N 2.97Å; L128-L132 WeakPolarHBondContact O-CB 3.18Å; L128-L132 VanDerWaalsContact O-CG 3.26Å; L128-L132 WeakPolarHBondContact O-CG 3.06Å; L128-L132 PolarHBondContact O-N 3.39Å
129S87.1Confident82.8Confident9 Ų947.6 Ų47.66%0.06324%0.237CC..Hα-helixtrans-58-45.2177.1-173.50000111.6I125 N126 S133 F590 V591 L594I125-S129 WeakPolarHBondContact O-CB 3.2Å; I125-S129 PolarHBondContact O-N 2.9Å; N126-S129 PolarHBondContact O-N 2.95Å; S129-S133 PolarHBondContact O-N 3.49Å; S129-S133 PolarHBondContact O-OG 3.45Å; S129-F590 PolarHBondContact OG-O 2.75Å; S129-V591 PolarHBondContact OG-O 2.88Å; S129-L594 VanDerWaalsContact OG-CB 3.29Å; S129-L594 WeakPolarHBondContact OG-CB 3.36Å; S129-L594 PolarHBondContact OG-N 3.03Å
130L87Confident82.5Confident0 Ų048.1 Ų48.10%024%0.239CC..Hα-helixtrans-72-38.3179-73172.9000113.5N126 C127 L128 L132 S133 I134 C177 L181 L184 F590N126-L130 WeakPolarHBondContact O-CB 3.25Å; N126-L130 WeakPolarHBondContact O-CG 3.28Å; N126-L130 PolarHBondContact O-N 3.32Å; C127-L130 PolarHBondContact O-N 3.06Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L130 PolarHBondContact O-N 2.83Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-S133 WeakPolarHBondContact CA-OG 3.38Å; L130-S133 PolarHBondContact O-N 3.14Å; L130-S133 PolarHBondContact O-OG 3.48Å; L130-I134 WeakPolarHBondContact O-CB 3.49Å; L130-I134 WeakPolarHBondContact O-CD1 3.36Å; L130-I134 WeakPolarHBondContact O-CG1 3.31Å; L130-I134 PolarHBondContact O-N 3.28Å; L130-C177 HydrophobicContact CD2-CB 4.04Å; L130-L181 HydrophobicContact CB-CD1 4.36Å; L130-L181 HydrophobicContact CD1-CB 4.32Å; L130-L184 HydrophobicContact CD1-CD1 3.54Å; L130-F590 HydrophobicContact CD1-CB 3.83Å; L130-F590 HydrophobicContact CD1-CD1 4.32Å; L130-F590 HydrophobicContact CD1-CD2 4.37Å; L130-F590 HydrophobicContact CD1-CG 3.92Å; L130-F590 HydrophobicContact CD2-CB 4.13Å; L130-F590 HydrophobicContact CD2-CD1 4.26Å; L130-F590 HydrophobicContact CD2-CG 4.44Å; L130-F590 HydrophobicContact CG-CB 3.93Å; L130-F590 HydrophobicContact CG-CG 4.44Å
131I88.1Confident82.1Confident78 Ų7847.1 Ų47.140%0.423%0.233SC..Hα-helixtrans-64.2-42.7176.5-70.5164000109.8C127 L128 I134 T135 L181C127-I131 WeakPolarHBondContact O-CB 3.38Å; C127-I131 WeakPolarHBondContact O-CD1 3.44Å; C127-I131 WeakPolarHBondContact O-CG1 3.36Å; C127-I131 PolarHBondContact O-N 3.3Å; L128-I131 PolarHBondContact O-N 2.97Å; I131-I134 PolarHBondContact O-N 2.89Å; I131-T135 HydrophobicContact CG2-CG2 4.45Å; I131-T135 WeakPolarHBondContact O-CB 3.26Å; I131-T135 VanDerWaalsContact O-CG2 3.27Å; I131-T135 WeakPolarHBondContact O-CG2 3.18Å; I131-T135 PolarHBondContact O-N 3.43Å; I131-T135 PolarHBondContact O-OG1 2.8Å; I131-L181 HydrophobicContact CD1-CD1 4.48Å; I131-L181 HydrophobicContact CG1-CD1 4.14Å; I131-L181 HydrophobicContact CG1-CD2 4.04Å
132L84.9Confident81.4Confident92 Ų9243.9 Ų43.948%0.48222%0.223SC..Hα-helixtrans-65.3-38.6175.7-69.1173.7000112L128 L130 T135 G136 L594L128-L132 WeakPolarHBondContact O-CB 3.18Å; L128-L132 VanDerWaalsContact O-CG 3.26Å; L128-L132 WeakPolarHBondContact O-CG 3.06Å; L128-L132 PolarHBondContact O-N 3.39Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L132-T135 WeakPolarHBondContact CA-OG1 3.35Å; L132-T135 PolarHBondContact O-OG1 3.35Å; L132-G136 PolarHBondContact O-N 2.86Å; L132-G136 VanDerWaalsContact O-N 3.07Å; L132-L594 HydrophobicContact CB-CD1 3.97Å; L132-L594 HydrophobicContact CB-CD2 4.08Å; L132-L594 HydrophobicContact CD1-CD2 3.82Å
133S84.7Confident80.2Confident0 Ų047.3 Ų47.30%024%0.241CC..Hα-helixtrans-68-44.7174.969.90000112.3S129 L130 G136 I137 C177 L597S129-S133 PolarHBondContact O-N 3.49Å; S129-S133 PolarHBondContact O-OG 3.45Å; L130-S133 WeakPolarHBondContact CA-OG 3.38Å; L130-S133 PolarHBondContact O-N 3.14Å; L130-S133 PolarHBondContact O-OG 3.48Å; S133-G136 PolarHBondContact O-N 2.89Å; S133-I137 WeakPolarHBondContact O-CB 3.39Å; S133-I137 WeakPolarHBondContact O-CD1 3.21Å; S133-I137 WeakPolarHBondContact O-CG1 3.46Å; S133-I137 PolarHBondContact O-N 3.5Å; S133-C177 PolarHBondContact OG-SG 3.33Å; S133-C177 VanDerWaalsContact OG-SG 3.4Å; S133-L597 VanDerWaalsContact CB-CD1 3.47Å
134I86.3Confident78.7Confident30 Ų3048.1 Ų48.115%0.15425%0.248CC..Hα-helixtrans-58.9-50.3176.8-70163.8000109.9L130 I131 G136 I137 Y138 L174 C177 I178 L181L130-I134 WeakPolarHBondContact O-CB 3.49Å; L130-I134 WeakPolarHBondContact O-CD1 3.36Å; L130-I134 WeakPolarHBondContact O-CG1 3.31Å; L130-I134 PolarHBondContact O-N 3.28Å; I131-I134 PolarHBondContact O-N 2.89Å; I134-G136 VanDerWaalsContact C-N 3.34Å; I134-G136 PolarHBondContact O-N 3.44Å; I134-I137 PolarHBondContact O-N 3.33Å; I134-Y138 WeakPolarHBondContact O-CB 3.22Å; I134-Y138 PolarHBondContact O-N 3.1Å; I134-L174 HydrophobicContact CG2-CD1 4.08Å; I134-C177 HydrophobicContact CD1-CB 4.04Å; I134-C177 HydrophobicContact CG1-CB 3.41Å; I134-C177 VanDerWaalsContact CG1-CB 3.41Å; I134-I178 HydrophobicContact CD1-CG1 4.19Å; I134-I178 HydrophobicContact CG1-CG1 4.39Å; I134-L181 HydrophobicContact CD1-CB 4.33Å; I134-L181 HydrophobicContact CD1-CD2 3.95Å
135T83.1Confident76.7Confident64 Ų6446 Ų4639%0.39325%0.252SS..Hα-helixtrans-62.2-41.8-178.950.20000111.9I131 L132 R139I131-T135 HydrophobicContact CG2-CG2 4.45Å; I131-T135 WeakPolarHBondContact O-CB 3.26Å; I131-T135 VanDerWaalsContact O-CG2 3.27Å; I131-T135 WeakPolarHBondContact O-CG2 3.18Å; I131-T135 PolarHBondContact O-N 3.43Å; I131-T135 PolarHBondContact O-OG1 2.8Å; L132-T135 WeakPolarHBondContact CA-OG1 3.35Å; L132-T135 PolarHBondContact O-OG1 3.35Å; T135-R139 WeakPolarHBondContact O-CB 3Å; T135-R139 WeakPolarHBondContact O-CD 2.91Å; T135-R139 VanDerWaalsContact O-CG 3.28Å; T135-R139 WeakPolarHBondContact O-CG 3.18Å; T135-R139 PolarHBondContact O-N 3.35Å
136G76.7Confident74.6Confident6 Ų653.4 Ų53.46%0.06228%0.276CS..Hα-helixtrans-68.7-44.2177.200000113.4L132 S133 I134 R139 L140L132-G136 PolarHBondContact O-N 2.86Å; L132-G136 VanDerWaalsContact O-N 3.07Å; S133-G136 PolarHBondContact O-N 2.89Å; I134-G136 VanDerWaalsContact C-N 3.34Å; I134-G136 PolarHBondContact O-N 3.44Å; G136-R139 PolarHBondContact O-N 2.95Å; G136-L140 WeakPolarHBondContact O-CB 3.2Å; G136-L140 PolarHBondContact O-N 3.45Å
137I79.7Confident72.5Confident0 Ų056.9 Ų56.90%030%0.3CS..Hα-helixtrans-67.6-44.5177.7-65.6162.7000110.6S133 I134 R139 L140 C141 W170 L173 L174 L597 F604S133-I137 WeakPolarHBondContact O-CB 3.39Å; S133-I137 WeakPolarHBondContact O-CD1 3.21Å; S133-I137 WeakPolarHBondContact O-CG1 3.46Å; S133-I137 PolarHBondContact O-N 3.5Å; I134-I137 PolarHBondContact O-N 3.33Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 3.31Å; I137-L140 WeakPolarHBondContact O-CB 2.93Å; I137-L140 PolarHBondContact O-N 2.82Å; I137-L140 VanDerWaalsContact O-N 3.13Å; I137-C141 PolarHBondContact O-N 3.46Å; I137-C141 PolarHBondContact O-SG 3.21Å; I137-C141 VanDerWaalsContact O-SG 3.35Å; I137-W170 HydrophobicContact CG1-CE3 4.34Å; I137-W170 HydrophobicContact CG1-CZ3 4.31Å; I137-W170 HydrophobicContact CG2-CE3 4.18Å; I137-L173 HydrophobicContact CD1-CD2 3.68Å; I137-L173 HydrophobicContact CD1-CG 3.76Å; I137-L173 HydrophobicContact CG1-CD2 4.48Å; I137-L174 HydrophobicContact CB-CD1 4.32Å; I137-L174 HydrophobicContact CG2-CB 3.97Å; I137-L174 HydrophobicContact CG2-CD1 4.11Å; I137-L597 HydrophobicContact CD1-CD1 4.01Å; I137-L597 HydrophobicContact CD1-CD2 4.49Å; I137-L597 HydrophobicContact CG1-CD1 4.45Å; I137-F604 HydrophobicContact CG1-CE2 4.38Å
138Y80Confident70.1Confident134 Ų13463 Ų6353%0.52533%0.332SS..Hα-helixtrans-57.5-46.6177-179.7-98.6000110.5I134 L140 C141 T142I134-Y138 WeakPolarHBondContact O-CB 3.22Å; I134-Y138 PolarHBondContact O-N 3.1Å; Y138-L140 VanDerWaalsContact C-N 3.33Å; Y138-L140 PolarHBondContact O-N 2.83Å; Y138-C141 PolarHBondContact O-N 2.9Å; Y138-T142 HydrophobicContact CD1-CG2 4Å; Y138-T142 HydrophobicContact CE1-CG2 3.59Å; Y138-T142 HydrophobicContact CE2-CG2 4.22Å; Y138-T142 HydrophobicContact CG-CG2 4.47Å; Y138-T142 WeakPolarHBondContact O-CG2 3.36Å; Y138-T142 PolarHBondContact O-N 3.31Å; Y138-T142 PolarHBondContact O-OG1 2.83Å
139R71.9Confident67.9Low108 Ų10865.2 Ų65.241%0.40834%0.34SS..Hα-helixtrans-61.3-42.2175.8-78.7168.4160.1-164.41.5112T135 G136 I137 C141 T142 L143 L607 Y611T135-R139 WeakPolarHBondContact O-CB 3Å; T135-R139 WeakPolarHBondContact O-CD 2.91Å; T135-R139 VanDerWaalsContact O-CG 3.28Å; T135-R139 WeakPolarHBondContact O-CG 3.18Å; T135-R139 PolarHBondContact O-N 3.35Å; G136-R139 PolarHBondContact O-N 2.95Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 3.31Å; R139-C141 VanDerWaalsContact C-N 3.33Å; R139-C141 PolarHBondContact O-N 3.01Å; R139-T142 WeakPolarHBondContact CA-OG1 3.34Å; R139-T142 PolarHBondContact O-N 3.03Å; R139-T142 PolarHBondContact O-OG1 3.48Å; R139-L143 WeakPolarHBondContact O-CB 3.49Å; R139-L143 VanDerWaalsContact O-CG 3.28Å; R139-L143 WeakPolarHBondContact O-CG 3.36Å; R139-L143 PolarHBondContact O-N 3.18Å; R139-L607 HydrophobicContact CB-CD1 4.1Å; R139-L607 HydrophobicContact CB-CD2 4.44Å; R139-Y611 HydrophobicContact CB-CE2 4.4Å; R139-Y611 WeakPolarHBondContact CD-OH 3.18Å; R139-Y611 VanDerWaalsContact CZ-CZ 3.47Å; R139-Y611 PolarHBondContact NE-OH 3.37Å; R139-Y611 VanDerWaalsContact NH1-CD1 3.29Å; R139-Y611 PolarHBondContact NH1-OH 3.14Å
140L70Confident65.5Low25 Ų2571.9 Ų71.913%0.13137%0.37CS..Hα-helixtrans-58.9-42.7175.1-162.3143.7000111.8G136 I137 Y138 S144 W170 K603 L607G136-L140 WeakPolarHBondContact O-CB 3.2Å; G136-L140 PolarHBondContact O-N 3.45Å; I137-L140 WeakPolarHBondContact O-CB 2.93Å; I137-L140 PolarHBondContact O-N 2.82Å; I137-L140 VanDerWaalsContact O-N 3.13Å; Y138-L140 VanDerWaalsContact C-N 3.33Å; Y138-L140 PolarHBondContact O-N 2.83Å; L140-S144 PolarHBondContact O-N 3.47Å; L140-S144 PolarHBondContact O-OG 3.4Å; L140-W170 HydrophobicContact CD1-CH2 4.42Å; L140-W170 HydrophobicContact CD1-CZ3 4.48Å; L140-W170 HydrophobicContact CD2-CD2 4.07Å; L140-W170 HydrophobicContact CD2-CE3 4.28Å; L140-W170 HydrophobicContact CD2-CG 4.45Å; L140-K603 HydrophobicContact CD1-CB 3.73Å; L140-L607 HydrophobicContact CB-CD1 4.17Å
141C68.9Low63.3Low26 Ų2681.1 Ų81.118%0.17641%0.41CS..Hα-helixtrans-69.2-36.1174.6-650000113.1I137 Y138 R139 S144I137-C141 PolarHBondContact O-N 3.46Å; I137-C141 PolarHBondContact O-SG 3.21Å; I137-C141 VanDerWaalsContact O-SG 3.35Å; Y138-C141 PolarHBondContact O-N 2.9Å; R139-C141 VanDerWaalsContact C-N 3.33Å; R139-C141 PolarHBondContact O-N 3.01Å; C141-S144 PolarHBondContact O-OG 3.01Å
142T66.3Low61.2Low49 Ų4979.7 Ų79.730%0.30140%0.403SS..Hα-helixtrans-75.1-34.2178.858.90000113.2Y138 R139 S144 G145 R146Y138-T142 HydrophobicContact CD1-CG2 4Å; Y138-T142 HydrophobicContact CE1-CG2 3.59Å; Y138-T142 HydrophobicContact CE2-CG2 4.22Å; Y138-T142 HydrophobicContact CG-CG2 4.47Å; Y138-T142 WeakPolarHBondContact O-CG2 3.36Å; Y138-T142 PolarHBondContact O-N 3.31Å; Y138-T142 PolarHBondContact O-OG1 2.83Å; R139-T142 WeakPolarHBondContact CA-OG1 3.34Å; R139-T142 PolarHBondContact O-N 3.03Å; R139-T142 PolarHBondContact O-OG1 3.48Å; T142-S144 VanDerWaalsContact C-N 3.27Å; T142-S144 PolarHBondContact O-N 3.22Å; T142-G145 PolarHBondContact O-N 2.66Å; T142-R146 PolarHBondContact O-N 3.34Å
143L56.9Low58.8Low86 Ų8677.4 Ų77.445%0.4539%0.39SS..Hα-helixtrans-66.7-31.4178.3-76.4165.2000111.6R139 G145 L607R139-L143 WeakPolarHBondContact O-CB 3.49Å; R139-L143 VanDerWaalsContact O-CG 3.28Å; R139-L143 WeakPolarHBondContact O-CG 3.36Å; R139-L143 PolarHBondContact O-N 3.18Å; L143-G145 PolarHBondContact O-N 3.48Å; L143-L607 HydrophobicContact CD1-CD1 3.47Å; L143-L607 VanDerWaalsContact CD1-CD1 3.47Å
144S52.3Low56.5Low39 Ų3983 Ų8327%0.27342%0.419SS..THydrogen-bonded Turntrans-71-16.8170.445.10000114.1L140 C141 T142 H163 I166L140-S144 PolarHBondContact O-N 3.47Å; L140-S144 PolarHBondContact O-OG 3.4Å; C141-S144 PolarHBondContact O-OG 3.01Å; T142-S144 VanDerWaalsContact C-N 3.27Å; T142-S144 PolarHBondContact O-N 3.22Å; S144-H163 PolarHBondContact O-CE1 2.76Å; S144-H163 PolarHBondContact O-ND1 3.32Å; S144-I166 WeakPolarHBondContact OG-CD1 3.43Å
145G41.7Very low54.2Low58 Ų5889 Ų8960%0.59845%0.45SS*.THydrogen-bonded Turntrans-100.4-12.6-175.800000115.4T142 L143T142-G145 PolarHBondContact O-N 2.66Å; L143-G145 PolarHBondContact O-N 3.48Å
146R42.2Very low52Low210 Ų21091 Ų9179%0.79246%0.457SS*.  trans-112.2100.3-176.6-78.8-173.5173177.5-1.6112T142 N148T142-R146 PolarHBondContact O-N 3.34Å; R146-N148 PolarHBondContact O-N 3.48Å
147S40.8Very low50Low74 Ų7497.6 Ų97.652%0.51748%0.479SS..THydrogen-bonded Turntrans-64.76.5173.551.10000115.8M153S147-M153 WeakPolarHBondContact O-CE 3.24Å
148N37Very low47.9Very low143 Ų143104.3 Ų104.377%0.76551%0.506SS*.THydrogen-bonded Turntrans-111.65.3-164-81.3-5.7000116.9R146 Q150R146-N148 PolarHBondContact O-N 3.48Å; N148-Q150 PolarHBondContact O-N 3.4Å
149H39.9Very low46.1Very low139 Ų139103.5 Ų103.564%0.64451%0.507SS*.  trans-99.879174.7-109.5-46.1000112.6K151 I152 M153H149-K151 PolarHBondContact O-N 3.48Å; H149-I152 PolarHBondContact O-N 2.84Å; H149-I152 VanDerWaalsContact O-N 3.14Å; H149-M153 WeakPolarHBondContact O-CB 3.37Å; H149-M153 PolarHBondContact O-N 2.7Å; H149-M153 VanDerWaalsContact O-N 3.11Å
150Q38.3Very low44.2Very low148 Ų148101.2 Ų101.269%0.69251%0.507SS*.Hα-helixtrans-48.9-26.7-176.9-83.2175-27.400116.3N148 M153N148-Q150 PolarHBondContact O-N 3.4Å; Q150-M153 HydrophobicContact CG-CE 4.09Å
151K40.5Very low42.6Very low195 Ų195104.6 Ų104.685%0.84853%0.525SS*.Hα-helixtrans-85.5-26-179.3-71.8-176.3177.6179.10114.9H149H149-K151 PolarHBondContact O-N 3.48Å
152I43Very low41.2Very low48 Ų48107.3 Ų107.325%0.24654%0.536CS..Hα-helixtrans-85-26.6170.4-62171.8000109.9H149 I154 L155 M156 Y610H149-I152 PolarHBondContact O-N 2.84Å; H149-I152 VanDerWaalsContact O-N 3.14Å; I152-I154 VanDerWaalsContact C-N 3.28Å; I152-I154 PolarHBondContact O-N 3.36Å; I152-L155 PolarHBondContact O-N 3.48Å; I152-M156 HydrophobicContact CG2-CG 3.94Å; I152-M156 WeakPolarHBondContact O-CB 3.5Å; I152-M156 PolarHBondContact O-N 3.11Å; I152-M156 VanDerWaalsContact O-N 3.09Å; I152-Y610 HydrophobicContact CD1-CE1 4.21Å; I152-Y610 HydrophobicContact CD1-CE2 4.41Å; I152-Y610 WeakPolarHBondContact CD1-OH 3.35Å
153M33.9Very low39.6Very low43 Ų43110.3 Ų110.321%0.21255%0.547CS..Hα-helixtrans-62.8-26-179.8-148-169.9-62.600113.5S147 H149 Q150 R157S147-M153 WeakPolarHBondContact O-CE 3.24Å; H149-M153 WeakPolarHBondContact O-CB 3.37Å; H149-M153 PolarHBondContact O-N 2.7Å; H149-M153 VanDerWaalsContact O-N 3.11Å; Q150-M153 HydrophobicContact CG-CE 4.09Å; M153-R157 HydrophobicContact CG-CG 4.08Å; M153-R157 VanDerWaalsContact O-CA 3.27Å; M153-R157 WeakPolarHBondContact O-CA 3.05Å; M153-R157 WeakPolarHBondContact O-CB 3.05Å; M153-R157 WeakPolarHBondContact O-CD 3.33Å; M153-R157 WeakPolarHBondContact O-CG 3.21Å; M153-R157 PolarHBondContact O-N 3.11Å; M153-R157 PolarHBondContact SD-NE 3.38Å; M153-R157 VanDerWaalsContact SD-NE 3.4Å; M153-R157 PolarHBondContact SD-NH2 3.24Å; M153-R157 VanDerWaalsContact SD-NH2 3.41Å
154I36.8Very low38.7Very low118 Ų118110.1 Ų110.161%0.60555%0.553SS**Hα-helixtrans-77.2-31.7-179.5-64.7168.1000111.9I152I152-I154 VanDerWaalsContact C-N 3.28Å; I152-I154 PolarHBondContact O-N 3.36Å
155L38Very low38.4Very low157 Ų157114 Ų11482%0.82256%0.562SS**Hα-helixtrans-83.2-27.9174.1-138.292.1000112.2I152I152-L155 PolarHBondContact O-N 3.48Å
156M37.3Very low39Very low106 Ų106114 Ų11452%0.52255%0.548SS..Hα-helixtrans-93.2-10177.6-68.5-81.8-163.200113.8I152 Y158 Q159 S160I152-M156 HydrophobicContact CG2-CG 3.94Å; I152-M156 WeakPolarHBondContact O-CB 3.5Å; I152-M156 PolarHBondContact O-N 3.11Å; I152-M156 VanDerWaalsContact O-N 3.09Å; M156-Y158 PolarHBondContact O-N 3.34Å; M156-Q159 CarbonylContact O-C 3.59Å; M156-Q159 WeakPolarHBondContact O-CA 3.39Å; M156-Q159 PolarHBondContact O-N 3.29Å; M156-S160 PolarHBondContact O-N 2.91Å
157R33.9Very low39.8Very low144 Ų144104.9 Ų104.954%0.54352%0.516SS..THydrogen-bonded Turntrans-66.8-16.6178.4-104165.8-175.4-166.4-0.2113.7M153 Q159 S160M153-R157 HydrophobicContact CG-CG 4.08Å; M153-R157 VanDerWaalsContact O-CA 3.27Å; M153-R157 WeakPolarHBondContact O-CA 3.05Å; M153-R157 WeakPolarHBondContact O-CB 3.05Å; M153-R157 WeakPolarHBondContact O-CD 3.33Å; M153-R157 WeakPolarHBondContact O-CG 3.21Å; M153-R157 PolarHBondContact O-N 3.11Å; M153-R157 PolarHBondContact SD-NE 3.38Å; M153-R157 VanDerWaalsContact SD-NE 3.4Å; M153-R157 PolarHBondContact SD-NH2 3.24Å; M153-R157 VanDerWaalsContact SD-NH2 3.41Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; R157-S160 PolarHBondContact O-OG 2.68Å
158Y36.7Very low41Very low140 Ų140101.4 Ų101.455%0.54949%0.492SS..THydrogen-bonded Turntrans-82-5.6168.9-86.7-84.8000113.4M156 Y359M156-Y158 PolarHBondContact O-N 3.34Å; Y158-Y359 HydrophobicContact CD1-CE1 4.5Å
159Q41.9Very low42.5Very low118 Ų11894.7 Ų94.755%0.55146%0.456SS*.SBendtrans-113.64.8171.9-82.8176.6-22.500113M156 R157 I161 I162M156-Q159 CarbonylContact O-C 3.59Å; M156-Q159 WeakPolarHBondContact O-CA 3.39Å; M156-Q159 PolarHBondContact O-N 3.29Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; Q159-I161 VanDerWaalsContact C-N 3.26Å; Q159-I161 PolarHBondContact O-N 3.39Å; Q159-I161 VanDerWaalsContact O-N 3.13Å; Q159-I162 HydrophobicContact CB-CD1 4.34Å; Q159-I162 HydrophobicContact CG-CD1 4.45Å; Q159-I162 WeakPolarHBondContact O-CB 3.24Å; Q159-I162 WeakPolarHBondContact O-CG1 3.3Å; Q159-I162 PolarHBondContact O-N 3Å
160S32.6Very low44.1Very low60 Ų6088.5 Ų88.542%0.4243%0.427SS..THydrogen-bonded Turntrans-78.69.5-169.168.30000116.4M156 R157 I162M156-S160 PolarHBondContact O-N 2.91Å; R157-S160 PolarHBondContact O-OG 2.68Å; S160-I162 VanDerWaalsContact C-N 3.25Å
161I35.5Very low45.8Very low96 Ų9682.2 Ų82.249%0.49240%0.399SS..THydrogen-bonded Turntrans-80.7-13.8162-55.3-170000110.5Q159 H163 L363Q159-I161 VanDerWaalsContact C-N 3.26Å; Q159-I161 PolarHBondContact O-N 3.39Å; Q159-I161 VanDerWaalsContact O-N 3.13Å; I161-H163 PolarHBondContact O-N 3.48Å; I161-H163 VanDerWaalsContact O-N 3.08Å; I161-L363 HydrophobicContact CB-CD2 4.42Å; I161-L363 HydrophobicContact CD1-CD2 3.59Å; I161-L363 HydrophobicContact CG1-CD2 4.11Å
162I39.8Very low47.6Very low82 Ų8273.1 Ų73.142%0.42136%0.36SS..THydrogen-bonded Turntrans-84.643.5171.6-46169.8000109.8Q159 S160 S164Q159-I162 HydrophobicContact CB-CD1 4.34Å; Q159-I162 HydrophobicContact CG-CD1 4.45Å; Q159-I162 WeakPolarHBondContact O-CB 3.24Å; Q159-I162 WeakPolarHBondContact O-CG1 3.3Å; Q159-I162 PolarHBondContact O-N 3Å; S160-I162 VanDerWaalsContact C-N 3.25Å; I162-S164 VanDerWaalsContact C-N 3.32Å
163H33.5Very low49.4Very low112 Ų11270.9 Ų70.952%0.51935%0.348SS..THydrogen-bonded Turntrans-90.9-1.5169.8-123.8-42.7000112S144 I161S144-H163 PolarHBondContact O-CE1 2.76Å; S144-H163 PolarHBondContact O-ND1 3.32Å; I161-H163 PolarHBondContact O-N 3.48Å; I161-H163 VanDerWaalsContact O-N 3.08Å
164S36.3Very low51.8Low83 Ų8370.1 Ų70.158%0.5835%0.345SS*.SBendtrans-111.4-17.8-162-41.50000115.7I162I162-S164 VanDerWaalsContact C-N 3.32Å
165Y46.2Very low54.1Low119 Ų11968.9 Ų68.947%0.46733%0.333SS..  trans-157.180.2-168.4-73.6-73000113.2P167 E371 N375Y165-P167 WeakPolarHBondContact O-CD 3.33Å; Y165-E371 VanDerWaalsContact CB-OE1 3.24Å; Y165-E371 WeakPolarHBondContact CB-OE1 3.3Å; Y165-E371 WeakPolarHBondContact CB-OE2 3.46Å; Y165-E371 WeakPolarHBondContact CD2-OE2 3.45Å; Y165-E371 VanDerWaalsContact CG-OE2 3.31Å; Y165-E371 WeakPolarHBondContact O-CG 3.43Å; Y165-N375 VanDerWaalsContact CE1-ND2 3.33Å; Y165-N375 WeakPolarHBondContact CE1-ND2 3.48Å
166I55.2Low56.3Low60 Ų6061.5 Ų61.531%0.30829%0.294SS..  trans-65.3120.2161.9-56.7163.5000106.8S144 W170S144-I166 WeakPolarHBondContact OG-CD1 3.43Å; I166-W170 HydrophobicContact CG2-CB 4.09Å; I166-W170 HydrophobicContact CG2-CG 4.43Å
167P59.9Low58.5Low18 Ų1856.4 Ų56.412%0.11727%0.269CS..BIsolated β-bridgetrans-69.2141-176.730.9-37.3000109.9Y165 T169 W170Y165-P167 WeakPolarHBondContact O-CD 3.33Å; P167-T169 CarbonylContact O-C 3.54Å; P167-T169 WeakPolarHBondContact O-CA 3.43Å; P167-T169 PolarHBondContact O-N 2.74Å; P167-T169 VanDerWaalsContact O-N 3.07Å; P167-W170 PolarHBondContact O-N 3.48Å
168A65Low61Low1 Ų152.5 Ų52.51%0.00826%0.258CS..Hα-helixtrans-55-34.1-169.400000114.1W170 S171 L172 L374A168-W170 PolarHBondContact O-N 3.27Å; A168-S171 PolarHBondContact O-N 3.18Å; A168-L172 PolarHBondContact O-N 3.45Å; A168-L374 WeakPolarHBondContact CB-O 3.46Å
169T69.5Low63.3Low2 Ų247.4 Ų47.41%0.01224%0.239CC..Hα-helix22.4-91.8129.6141.10000117.5P167 L172 L173 D235 R236 T498P167-T169 CarbonylContact O-C 3.54Å; P167-T169 WeakPolarHBondContact O-CA 3.43Å; P167-T169 PolarHBondContact O-N 2.74Å; P167-T169 VanDerWaalsContact O-N 3.07Å; T169-L172 PolarHBondContact O-N 2.8Å; T169-L173 WeakPolarHBondContact O-CB 3.42Å; T169-L173 PolarHBondContact O-N 2.98Å; T169-D235 WeakPolarHBondContact CG2-OD2 3.43Å; T169-R236 HydrophobicContact CG2-CG 3.82Å; T169-R236 VanDerWaalsContact CG2-CZ 3.44Å; T169-R236 PolarHBondContact OG1-NE 2.91Å; T169-R236 PolarHBondContact OG1-NH2 3.26Å; T169-T498 HydrophobicContact CG2-CG2 4.42Å
170W72.8Confident65.3Low9 Ų941.8 Ų41.83%0.03421%0.213CC..Hα-helixtrans-70.2-36.9-171.9-67.8102.9000112I137 L140 I166 P167 A168 L173 L174 L497 L597 S601I137-W170 HydrophobicContact CG1-CE3 4.34Å; I137-W170 HydrophobicContact CG1-CZ3 4.31Å; I137-W170 HydrophobicContact CG2-CE3 4.18Å; L140-W170 HydrophobicContact CD1-CH2 4.42Å; L140-W170 HydrophobicContact CD1-CZ3 4.48Å; L140-W170 HydrophobicContact CD2-CD2 4.07Å; L140-W170 HydrophobicContact CD2-CE3 4.28Å; L140-W170 HydrophobicContact CD2-CG 4.45Å; I166-W170 HydrophobicContact CG2-CB 4.09Å; I166-W170 HydrophobicContact CG2-CG 4.43Å; P167-W170 PolarHBondContact O-N 3.48Å; A168-W170 PolarHBondContact O-N 3.27Å; W170-L173 HydrophobicContact CE3-CD2 4.29Å; W170-L173 HydrophobicContact CZ3-CD2 4.28Å; W170-L173 PolarHBondContact O-N 3.42Å; W170-L174 WeakPolarHBondContact O-CB 3.48Å; W170-L174 PolarHBondContact O-N 2.81Å; W170-L497 HydrophobicContact CH2-CD2 4.32Å; W170-L497 HydrophobicContact CZ3-CD2 4.45Å; W170-L597 HydrophobicContact CZ3-CD2 4.17Å; W170-S601 WeakPolarHBondContact CH2-OG 3.5Å
171S74.6Confident67.9Low15 Ų1540.3 Ų40.311%0.10520%0.2CC..Hα-helixtrans-66.2-43.2175.5-57.70000111.7A168 L173 L174 W175 H376A168-S171 PolarHBondContact O-N 3.18Å; S171-L173 VanDerWaalsContact C-N 3.35Å; S171-L174 WeakPolarHBondContact O-CB 3.35Å; S171-L174 PolarHBondContact O-N 3.43Å; S171-W175 PolarHBondContact O-N 3.35Å; S171-H376 PolarHBondContact OG-CD2 2.84Å; S171-H376 PolarHBondContact OG-NE2 3.02Å; S171-H376 VanDerWaalsContact OG-NE2 3.07Å
172L77.3Confident70.2Confident4 Ų439 Ų392%0.02119%0.194CC..Hα-helixtrans-64.6-40.1175.1-71.8174.9000111.6A168 T169 L174 W175 Y176 L228 M232 F383A168-L172 PolarHBondContact O-N 3.45Å; T169-L172 PolarHBondContact O-N 2.8Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-W175 PolarHBondContact O-N 3.18Å; L172-Y176 WeakPolarHBondContact O-CB 3.31Å; L172-Y176 PolarHBondContact O-N 3.03Å; L172-L228 HydrophobicContact CD2-CD2 3.94Å; L172-M232 HydrophobicContact CB-CG 3.62Å; L172-M232 HydrophobicContact CB-SD 4.04Å; L172-M232 HydrophobicContact CD1-CG 3.91Å; L172-M232 HydrophobicContact CG-CG 4.4Å; L172-F383 HydrophobicContact CD2-CB 4.06Å
173L81.8Confident72.3Confident1 Ų136.9 Ų36.91%0.00518%0.18CC..Hα-helixtrans-65.8-37175.9-172.964.2000112.1I137 T169 W170 S171 Y176 C177 M232 L497 L501 L597I137-L173 HydrophobicContact CD1-CD2 3.68Å; I137-L173 HydrophobicContact CD1-CG 3.76Å; I137-L173 HydrophobicContact CG1-CD2 4.48Å; T169-L173 WeakPolarHBondContact O-CB 3.42Å; T169-L173 PolarHBondContact O-N 2.98Å; W170-L173 HydrophobicContact CE3-CD2 4.29Å; W170-L173 HydrophobicContact CZ3-CD2 4.28Å; W170-L173 PolarHBondContact O-N 3.42Å; S171-L173 VanDerWaalsContact C-N 3.35Å; L173-Y176 HydrophobicContact CD1-CD1 4.02Å; L173-Y176 WeakPolarHBondContact O-CB 3.46Å; L173-Y176 PolarHBondContact O-N 3.47Å; L173-C177 PolarHBondContact O-N 3.49Å; L173-C177 PolarHBondContact O-SG 3.5Å; L173-M232 HydrophobicContact CB-CE 3.69Å; L173-M232 HydrophobicContact CB-SD 4.43Å; L173-M232 HydrophobicContact CD1-CE 3.9Å; L173-M232 HydrophobicContact CD1-SD 4.48Å; L173-M232 HydrophobicContact CG-CE 4.31Å; L173-L497 HydrophobicContact CD2-CD2 3.71Å; L173-L501 HydrophobicContact CD1-CD1 3.48Å; L173-L501 VanDerWaalsContact CD1-CD1 3.48Å; L173-L597 HydrophobicContact CD2-CD2 3.9Å
174L84.2Confident74.7Confident27 Ų2731.9 Ų31.914%0.14116%0.158CC..Hα-helixtrans-62-49.7173.9-177.667.6000110.5I134 I137 W170 S171 L172 Y176 C177 I178I134-L174 HydrophobicContact CG2-CD1 4.08Å; I137-L174 HydrophobicContact CB-CD1 4.32Å; I137-L174 HydrophobicContact CG2-CB 3.97Å; I137-L174 HydrophobicContact CG2-CD1 4.11Å; W170-L174 WeakPolarHBondContact O-CB 3.48Å; W170-L174 PolarHBondContact O-N 2.81Å; S171-L174 WeakPolarHBondContact O-CB 3.35Å; S171-L174 PolarHBondContact O-N 3.43Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L174-Y176 VanDerWaalsContact C-N 3.31Å; L174-Y176 PolarHBondContact O-N 3.06Å; L174-C177 PolarHBondContact O-N 3Å; L174-C177 VanDerWaalsContact O-N 3.17Å; L174-I178 HydrophobicContact CD1-CD1 4.38Å; L174-I178 HydrophobicContact CG-CD1 3.96Å; L174-I178 WeakPolarHBondContact O-CG1 3.33Å; L174-I178 PolarHBondContact O-N 2.88Å
175W83.5Confident76.8Confident92 Ų9232.5 Ų32.535%0.34815%0.154SC..Hα-helixtrans-60.3-40.5175.3-79.8114000112.3S171 L172 C177 I178 F179 L228S171-W175 PolarHBondContact O-N 3.35Å; L172-W175 PolarHBondContact O-N 3.18Å; W175-C177 VanDerWaalsContact C-N 3.32Å; W175-C177 PolarHBondContact O-N 2.85Å; W175-I178 HydrophobicContact CE3-CD1 4.47Å; W175-I178 PolarHBondContact O-N 2.8Å; W175-F179 HydrophobicContact CB-CD2 4.36Å; W175-F179 HydrophobicContact CB-CE2 4.36Å; W175-F179 HydrophobicContact CD2-CE2 4.06Å; W175-F179 AromaticContact CE3-CD2 3.97Å; W175-F179 HydrophobicContact CE3-CD2 3.97Å; W175-F179 AromaticContact CE3-CE2 3.23Å; W175-F179 HydrophobicContact CE3-CE2 3.23Å; W175-F179 AromaticContact CE3-CZ 3.8Å; W175-F179 HydrophobicContact CE3-CZ 3.8Å; W175-F179 AromaticContact CZ3-CE2 3.78Å; W175-F179 HydrophobicContact CZ3-CE2 3.78Å; W175-F179 AromaticContact CZ3-CZ 3.84Å; W175-F179 HydrophobicContact CZ3-CZ 3.84Å; W175-F179 WeakPolarHBondContact O-CD2 3.47Å; W175-F179 PolarHBondContact O-N 3.07Å; W175-L228 HydrophobicContact CB-CD1 4.33Å
176Y85.4Confident78.2Confident2 Ų230.4 Ų30.41%0.00815%0.15CC..Hα-helixtrans-55-48.8173.8166.6-97.9000110.9L172 L173 L174 I178 S180 P225 L228 I229 N505 F590 T593L172-Y176 WeakPolarHBondContact O-CB 3.31Å; L172-Y176 PolarHBondContact O-N 3.03Å; L173-Y176 HydrophobicContact CD1-CD1 4.02Å; L173-Y176 WeakPolarHBondContact O-CB 3.46Å; L173-Y176 PolarHBondContact O-N 3.47Å; L174-Y176 VanDerWaalsContact C-N 3.31Å; L174-Y176 PolarHBondContact O-N 3.06Å; Y176-I178 PolarHBondContact O-N 3.29Å; Y176-S180 WeakPolarHBondContact O-CB 3.2Å; Y176-S180 PolarHBondContact O-N 3.32Å; Y176-S180 PolarHBondContact O-OG 3.34Å; Y176-P225 HydrophobicContact CD2-CB 3.89Å; Y176-P225 WeakPolarHBondContact CD2-O 3.18Å; Y176-P225 HydrophobicContact CE2-CB 3.75Å; Y176-L228 HydrophobicContact CD2-CB 4.36Å; Y176-I229 HydrophobicContact CD2-CD1 4.16Å; Y176-I229 HydrophobicContact CD2-CG1 3.88Å; Y176-I229 HydrophobicContact CE2-CD1 3.42Å; Y176-I229 VanDerWaalsContact CE2-CD1 3.42Å; Y176-I229 HydrophobicContact CE2-CG1 3.6Å; Y176-N505 PolarHBondContact OH-ND2 3.22Å; Y176-N505 PolarHBondContact OH-OD1 2.98Å; Y176-F590 HydrophobicContact CE1-CD1 4.45Å; Y176-F590 HydrophobicContact CE2-CE1 4.15Å; Y176-F590 AromaticContact CZ-CE1 3.77Å; Y176-F590 WeakPolarHBondContact OH-CD1 3.44Å; Y176-F590 WeakPolarHBondContact OH-CE1 3.31Å; Y176-T593 HydrophobicContact CE1-CG2 4.42Å
177C84Confident79Confident0 Ų027.9 Ų27.90%014%0.138CC..Hα-helixtrans-66.6-39.4179.8-60.30000112.1L130 S133 I134 L173 L174 W175 S180 L181L130-C177 HydrophobicContact CD2-CB 4.04Å; S133-C177 PolarHBondContact OG-SG 3.33Å; S133-C177 VanDerWaalsContact OG-SG 3.4Å; I134-C177 HydrophobicContact CD1-CB 4.04Å; I134-C177 HydrophobicContact CG1-CB 3.41Å; I134-C177 VanDerWaalsContact CG1-CB 3.41Å; L173-C177 PolarHBondContact O-N 3.49Å; L173-C177 PolarHBondContact O-SG 3.5Å; L174-C177 PolarHBondContact O-N 3Å; L174-C177 VanDerWaalsContact O-N 3.17Å; W175-C177 VanDerWaalsContact C-N 3.32Å; W175-C177 PolarHBondContact O-N 2.85Å; C177-S180 PolarHBondContact O-N 2.86Å; C177-L181 WeakPolarHBondContact O-CB 3.44Å; C177-L181 PolarHBondContact O-N 2.87Å
178I86.3Confident79.6Confident62 Ų6229.6 Ų29.632%0.31814%0.143SC..Hα-helixtrans-64.1-51.8179-68.2166.6000111.4I134 L174 W175 Y176 S180 L181 L182I134-I178 HydrophobicContact CD1-CG1 4.19Å; I134-I178 HydrophobicContact CG1-CG1 4.39Å; L174-I178 HydrophobicContact CD1-CD1 4.38Å; L174-I178 HydrophobicContact CG-CD1 3.96Å; L174-I178 WeakPolarHBondContact O-CG1 3.33Å; L174-I178 PolarHBondContact O-N 2.88Å; W175-I178 HydrophobicContact CE3-CD1 4.47Å; W175-I178 PolarHBondContact O-N 2.8Å; Y176-I178 PolarHBondContact O-N 3.29Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.07Å; I178-L181 PolarHBondContact O-N 3.43Å; I178-L182 WeakPolarHBondContact O-CB 3.24Å; I178-L182 PolarHBondContact O-N 3.24Å
179F84.5Confident79.8Confident32 Ų3230 Ų3014%0.1415%0.147CC..Hα-helixtrans-66.3-32.5179.2-75-66.8000112.3W175 L182 W183 L221 I224 P225 L228 F383W175-F179 HydrophobicContact CB-CD2 4.36Å; W175-F179 HydrophobicContact CB-CE2 4.36Å; W175-F179 HydrophobicContact CD2-CE2 4.06Å; W175-F179 AromaticContact CE3-CD2 3.97Å; W175-F179 HydrophobicContact CE3-CD2 3.97Å; W175-F179 AromaticContact CE3-CE2 3.23Å; W175-F179 HydrophobicContact CE3-CE2 3.23Å; W175-F179 AromaticContact CE3-CZ 3.8Å; W175-F179 HydrophobicContact CE3-CZ 3.8Å; W175-F179 AromaticContact CZ3-CE2 3.78Å; W175-F179 HydrophobicContact CZ3-CE2 3.78Å; W175-F179 AromaticContact CZ3-CZ 3.84Å; W175-F179 HydrophobicContact CZ3-CZ 3.84Å; W175-F179 WeakPolarHBondContact O-CD2 3.47Å; W175-F179 PolarHBondContact O-N 3.07Å; F179-L182 HydrophobicContact CD1-CD2 4.37Å; F179-L182 PolarHBondContact O-N 3.02Å; F179-W183 VanDerWaalsContact O-CB 3.31Å; F179-W183 WeakPolarHBondContact O-CB 3.41Å; F179-W183 PolarHBondContact O-N 3.36Å; F179-L221 HydrophobicContact CD1-CD2 4.21Å; F179-I224 HydrophobicContact CB-CG2 3.8Å; F179-I224 HydrophobicContact CD1-CD1 4.17Å; F179-I224 HydrophobicContact CD1-CG2 4.14Å; F179-I224 HydrophobicContact CD2-CG2 3.59Å; F179-I224 HydrophobicContact CE1-CD1 4.26Å; F179-I224 HydrophobicContact CE2-CG2 4.22Å; F179-I224 HydrophobicContact CG-CB 4.49Å; F179-I224 HydrophobicContact CG-CG2 3.57Å; F179-P225 HydrophobicContact CB-CG 4.34Å; F179-L228 HydrophobicContact CD2-CD1 4.01Å; F179-F383 HydrophobicContact CD2-CE2 4.31Å; F179-F383 HydrophobicContact CD2-CZ 4.23Å; F179-F383 HydrophobicContact CE2-CE1 4.26Å; F179-F383 AromaticContact CE2-CE2 3.73Å; F179-F383 HydrophobicContact CE2-CE2 3.73Å; F179-F383 AromaticContact CE2-CZ 3.24Å; F179-F383 HydrophobicContact CE2-CZ 3.24Å; F179-F383 HydrophobicContact CZ-CE2 4.48Å; F179-F383 AromaticContact CZ-CZ 3.7Å; F179-F383 HydrophobicContact CZ-CZ 3.7Å
180S83.3Confident79.7Confident0 Ų033.1 Ų33.10%016%0.164CC..Hα-helixtrans-65.2-43.5173.9-59.90000111.8Y176 C177 I178 L182 W183 L184 P225 F590Y176-S180 WeakPolarHBondContact O-CB 3.2Å; Y176-S180 PolarHBondContact O-N 3.32Å; Y176-S180 PolarHBondContact O-OG 3.34Å; C177-S180 PolarHBondContact O-N 2.86Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.07Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-W183 PolarHBondContact O-N 3.42Å; S180-L184 WeakPolarHBondContact O-CB 3.32Å; S180-L184 VanDerWaalsContact O-CG 3.3Å; S180-L184 WeakPolarHBondContact O-CG 3.33Å; S180-L184 PolarHBondContact O-N 2.96Å; S180-P225 WeakPolarHBondContact OG-CB 3.33Å; S180-F590 WeakPolarHBondContact OG-CE1 3.45Å; S180-F590 WeakPolarHBondContact OG-CZ 3.5Å
181L86.7Confident79.5Confident30 Ų3035.4 Ų35.416%0.15718%0.177CC..Hα-helixtrans-63.8-42.9175.4-175.469000110.8C127 L130 I131 I134 C177 I178 L184 L185C127-L181 HydrophobicContact CB-CD1 4.11Å; L130-L181 HydrophobicContact CB-CD1 4.36Å; L130-L181 HydrophobicContact CD1-CB 4.32Å; I131-L181 HydrophobicContact CD1-CD1 4.48Å; I131-L181 HydrophobicContact CG1-CD1 4.14Å; I131-L181 HydrophobicContact CG1-CD2 4.04Å; I134-L181 HydrophobicContact CD1-CB 4.33Å; I134-L181 HydrophobicContact CD1-CD2 3.95Å; C177-L181 WeakPolarHBondContact O-CB 3.44Å; C177-L181 PolarHBondContact O-N 2.87Å; I178-L181 PolarHBondContact O-N 3.43Å; L181-L184 PolarHBondContact O-N 3.47Å; L181-L185 HydrophobicContact CD1-CD1 4.19Å; L181-L185 HydrophobicContact CD1-CG 4.41Å; L181-L185 HydrophobicContact CG-CD1 3.95Å; L181-L185 HydrophobicContact CG-CG 4.49Å; L181-L185 WeakPolarHBondContact O-CB 3.37Å; L181-L185 WeakPolarHBondContact O-CG 3.26Å; L181-L185 PolarHBondContact O-N 3.38Å
182L85.2Confident79.1Confident68 Ų6835.9 Ų35.936%0.35618%0.178SC..Hα-helixtrans-62.2-43.6177.8-170.965.8000111.6I178 F179 S180 L186 L221I178-L182 WeakPolarHBondContact O-CB 3.24Å; I178-L182 PolarHBondContact O-N 3.24Å; F179-L182 HydrophobicContact CD1-CD2 4.37Å; F179-L182 PolarHBondContact O-N 3.02Å; S180-L182 VanDerWaalsContact C-N 3.34Å; L182-L186 HydrophobicContact CD1-CD1 3.44Å; L182-L186 VanDerWaalsContact CD1-CD1 3.44Å; L182-L186 HydrophobicContact CD1-CG 3.89Å; L182-L186 HydrophobicContact CG-CD1 3.78Å; L182-L186 HydrophobicContact CG-CG 4.37Å; L182-L186 VanDerWaalsContact O-CB 3.24Å; L182-L186 WeakPolarHBondContact O-CB 3.39Å; L182-L186 WeakPolarHBondContact O-CG 3.37Å; L182-L186 PolarHBondContact O-N 2.85Å; L182-L221 HydrophobicContact CD2-CD1 4.3Å; L182-L221 HydrophobicContact CD2-CD2 3.55Å; L182-L221 HydrophobicContact CG-CD1 4.09Å; L182-L221 HydrophobicContact CG-CD2 4.05Å
183W83.1Confident78.5Confident37 Ų3739.7 Ų39.714%0.1420%0.197CC..Hα-helixtrans-59.7-49.2174.1167.9-115.5000112.3F179 S180 V187 F188 K218 L221 K222F179-W183 VanDerWaalsContact O-CB 3.31Å; F179-W183 WeakPolarHBondContact O-CB 3.41Å; F179-W183 PolarHBondContact O-N 3.36Å; S180-W183 PolarHBondContact O-N 3.42Å; W183-V187 HydrophobicContact CD2-CB 4.16Å; W183-V187 HydrophobicContact CD2-CG2 4.47Å; W183-V187 HydrophobicContact CE3-CB 3.42Å; W183-V187 VanDerWaalsContact CE3-CB 3.42Å; W183-V187 HydrophobicContact CE3-CG1 3.95Å; W183-V187 HydrophobicContact CE3-CG2 3.4Å; W183-V187 VanDerWaalsContact CE3-CG2 3.4Å; W183-V187 HydrophobicContact CH2-CB 3.83Å; W183-V187 HydrophobicContact CH2-CG1 3.38Å; W183-V187 HydrophobicContact CH2-CG2 4.38Å; W183-V187 HydrophobicContact CZ2-CB 4.49Å; W183-V187 HydrophobicContact CZ2-CG1 4.24Å; W183-V187 HydrophobicContact CZ3-CB 3.25Å; W183-V187 HydrophobicContact CZ3-CG1 3.21Å; W183-V187 HydrophobicContact CZ3-CG2 3.36Å; W183-V187 WeakPolarHBondContact O-CB 3.41Å; W183-V187 PolarHBondContact O-N 2.85Å; W183-F188 PolarHBondContact O-N 3.1Å; W183-K218 HydrophobicContact CH2-CG 4.04Å; W183-K218 HydrophobicContact CZ3-CB 4.34Å; W183-K218 HydrophobicContact CZ3-CG 3.99Å; W183-K218 WeakPolarHBondContact CZ3-O 3.38Å; W183-L221 HydrophobicContact CB-CB 4.2Å; W183-L221 HydrophobicContact CD2-CB 4.44Å; W183-L221 HydrophobicContact CE3-CB 3.61Å; W183-L221 HydrophobicContact CZ3-CB 4.4Å; W183-K222 HydrophobicContact CD2-CB 4.27Å; W183-K222 HydrophobicContact CE3-CB 4.07Å; W183-K222 VanDerWaalsContact CE3-N 3.32Å; W183-K222 HydrophobicContact CH2-CB 3.51Å; W183-K222 HydrophobicContact CH2-CD 4.09Å; W183-K222 HydrophobicContact CH2-CG 3.92Å; W183-K222 HydrophobicContact CZ2-CB 3.75Å; W183-K222 HydrophobicContact CZ2-CD 3.99Å; W183-K222 HydrophobicContact CZ2-CG 3.71Å; W183-K222 HydrophobicContact CZ3-CB 3.66Å
184L83.2Confident77.4Confident8 Ų841.4 Ų41.44%0.04221%0.208CC..Iπ-helixtrans-61.5-45.5179.5-75.2171.8000111.9L123 N126 L130 S180 L181 F188 G189 F590L123-L184 HydrophobicContact CD1-CB 3.76Å; L123-L184 HydrophobicContact CD1-CD2 3.93Å; L123-L184 HydrophobicContact CD1-CG 4.32Å; N126-L184 HydrophobicContact CB-CD1 3.66Å; L130-L184 HydrophobicContact CD1-CD1 3.54Å; S180-L184 WeakPolarHBondContact O-CB 3.32Å; S180-L184 VanDerWaalsContact O-CG 3.3Å; S180-L184 WeakPolarHBondContact O-CG 3.33Å; S180-L184 PolarHBondContact O-N 2.96Å; L181-L184 PolarHBondContact O-N 3.47Å; L184-F188 WeakPolarHBondContact O-CB 3.47Å; L184-F188 PolarHBondContact O-N 2.86Å; L184-G189 PolarHBondContact O-N 3.35Å; L184-F590 HydrophobicContact CD1-CD2 3.7Å; L184-F590 HydrophobicContact CD1-CE2 4.26Å; L184-F590 HydrophobicContact CD1-CG 4.38Å; L184-F590 HydrophobicContact CD2-CD2 4.1Å; L184-F590 HydrophobicContact CD2-CE2 4.24Å; L184-F590 HydrophobicContact CG-CD2 4.03Å; L184-F590 HydrophobicContact CG-CE2 4.13Å
185L81Confident76.2Confident95 Ų9543.8 Ų43.850%0.49723%0.227SC..Iπ-helixtrans-71.5-51.4-178.9-69.6173.7000111.9L181 G189 L190L181-L185 HydrophobicContact CD1-CD1 4.19Å; L181-L185 HydrophobicContact CD1-CG 4.41Å; L181-L185 HydrophobicContact CG-CD1 3.95Å; L181-L185 HydrophobicContact CG-CG 4.49Å; L181-L185 WeakPolarHBondContact O-CB 3.37Å; L181-L185 WeakPolarHBondContact O-CG 3.26Å; L181-L185 PolarHBondContact O-N 3.38Å; L185-G189 WeakPolarHBondContact O-CA 3.29Å; L185-L190 PolarHBondContact O-N 3.31Å
186L76.5Confident75.1Confident75 Ų7542.4 Ų42.439%0.39323%0.226SC..Iπ-helixtrans-77.4-30.3-171.9-71.7-177.1000113.6L182 L190 L221L182-L186 HydrophobicContact CD1-CD1 3.44Å; L182-L186 VanDerWaalsContact CD1-CD1 3.44Å; L182-L186 HydrophobicContact CD1-CG 3.89Å; L182-L186 HydrophobicContact CG-CD1 3.78Å; L182-L186 HydrophobicContact CG-CG 4.37Å; L182-L186 VanDerWaalsContact O-CB 3.24Å; L182-L186 WeakPolarHBondContact O-CB 3.39Å; L182-L186 WeakPolarHBondContact O-CG 3.37Å; L182-L186 PolarHBondContact O-N 2.85Å; L186-L190 WeakPolarHBondContact O-CB 3.25Å; L186-L190 WeakPolarHBondContact O-CD1 3.21Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L221 HydrophobicContact CB-CD1 4.29Å; L186-L221 HydrophobicContact CD1-CD1 3.88Å
187V71.7Confident73.7Confident8 Ų851.3 Ų51.35%0.04826%0.261CS..Iπ-helixtrans-113.3-49.2-170.9-175.80000110.8W183 N191 K218 L221W183-V187 HydrophobicContact CD2-CB 4.16Å; W183-V187 HydrophobicContact CD2-CG2 4.47Å; W183-V187 HydrophobicContact CE3-CB 3.42Å; W183-V187 VanDerWaalsContact CE3-CB 3.42Å; W183-V187 HydrophobicContact CE3-CG1 3.95Å; W183-V187 HydrophobicContact CE3-CG2 3.4Å; W183-V187 VanDerWaalsContact CE3-CG2 3.4Å; W183-V187 HydrophobicContact CH2-CB 3.83Å; W183-V187 HydrophobicContact CH2-CG1 3.38Å; W183-V187 HydrophobicContact CH2-CG2 4.38Å; W183-V187 HydrophobicContact CZ2-CB 4.49Å; W183-V187 HydrophobicContact CZ2-CG1 4.24Å; W183-V187 HydrophobicContact CZ3-CB 3.25Å; W183-V187 HydrophobicContact CZ3-CG1 3.21Å; W183-V187 HydrophobicContact CZ3-CG2 3.36Å; W183-V187 WeakPolarHBondContact O-CB 3.41Å; W183-V187 PolarHBondContact O-N 2.85Å; V187-N191 VanDerWaalsContact O-CB 3.24Å; V187-N191 WeakPolarHBondContact O-CB 3.16Å; V187-N191 PolarHBondContact O-N 3.35Å; V187-N191 PolarHBondContact O-ND2 3.35Å; V187-K218 HydrophobicContact CG1-CB 3.97Å; V187-K218 HydrophobicContact CG1-CD 3.68Å; V187-K218 HydrophobicContact CG1-CG 3.68Å; V187-K218 HydrophobicContact CG2-CB 4.21Å; V187-L221 HydrophobicContact CG2-CD1 4.29Å
188F71.4Confident71.6Confident54 Ų5455 Ų5524%0.23728%0.281CS..Iπ-helixtrans-71.6-46.9177.6-160.5-106.4000111.4V119 L123 W183 L184 N191 I192V119-F188 HydrophobicContact CG1-CD1 4.41Å; V119-F188 HydrophobicContact CG1-CE1 3.22Å; V119-F188 HydrophobicContact CG1-CE2 4.28Å; V119-F188 HydrophobicContact CG1-CZ 3.14Å; L123-F188 HydrophobicContact CB-CD1 4.19Å; L123-F188 HydrophobicContact CB-CE1 4.24Å; L123-F188 HydrophobicContact CD1-CD1 3.88Å; L123-F188 HydrophobicContact CD2-CD1 4.16Å; L123-F188 HydrophobicContact CG-CD1 4.29Å; W183-F188 PolarHBondContact O-N 3.1Å; L184-F188 WeakPolarHBondContact O-CB 3.47Å; L184-F188 PolarHBondContact O-N 2.86Å; F188-N191 PolarHBondContact O-N 2.86Å; F188-I192 HydrophobicContact CD1-CD1 3.59Å; F188-I192 HydrophobicContact CE1-CD1 3.65Å; F188-I192 HydrophobicContact CG-CD1 4.42Å; F188-I192 HydrophobicContact CZ-CD1 4.46Å; F188-I192 VanDerWaalsContact O-CG1 3.3Å; F188-I192 WeakPolarHBondContact O-CG1 3.14Å; F188-I192 PolarHBondContact O-N 3.34Å; F188-I192 VanDerWaalsContact O-N 3.07Å
189G69.6Low69.3Low9 Ų955.7 Ų55.79%0.09329%0.285CS..Iπ-helixtrans-59.9-49.3176.100000112.6L184 L185 N191 I192 I193L184-G189 PolarHBondContact O-N 3.35Å; L185-G189 WeakPolarHBondContact O-CA 3.29Å; G189-N191 PolarHBondContact O-N 3.41Å; G189-I192 PolarHBondContact O-N 3.09Å; G189-I193 WeakPolarHBondContact O-CG1 3.21Å; G189-I193 PolarHBondContact O-N 3.47Å
190L68.5Low66.9Low67 Ų6759.1 Ų59.135%0.35130%0.304SS..Hα-helixtrans-62.5-42.2176.3-68.3-173.2000112.1L185 L186 I192 I193 T194 L214L185-L190 PolarHBondContact O-N 3.31Å; L186-L190 WeakPolarHBondContact O-CB 3.25Å; L186-L190 WeakPolarHBondContact O-CD1 3.21Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L190-I192 VanDerWaalsContact C-N 3.29Å; L190-I192 PolarHBondContact O-N 3.08Å; L190-I193 PolarHBondContact O-N 3.48Å; L190-T194 WeakPolarHBondContact O-CB 2.99Å; L190-T194 VanDerWaalsContact O-CG2 3.32Å; L190-T194 WeakPolarHBondContact O-CG2 3.26Å; L190-T194 PolarHBondContact O-N 3.29Å; L190-T194 PolarHBondContact O-OG1 2.9Å; L190-L214 HydrophobicContact CD1-CD1 4.39Å
191N66.8Low64.7Low58 Ų5863.2 Ų63.231%0.3132%0.323SS..Hα-helixtrans-59.3-41.1178.1-72.5-25.3000111.7V187 F188 G189 T194 S195V187-N191 VanDerWaalsContact O-CB 3.24Å; V187-N191 WeakPolarHBondContact O-CB 3.16Å; V187-N191 PolarHBondContact O-N 3.35Å; V187-N191 PolarHBondContact O-ND2 3.35Å; F188-N191 PolarHBondContact O-N 2.86Å; G189-N191 PolarHBondContact O-N 3.41Å; N191-T194 WeakPolarHBondContact CA-OG1 3.31Å; N191-T194 PolarHBondContact O-N 2.97Å; N191-T194 PolarHBondContact O-OG1 3.42Å; N191-S195 WeakPolarHBondContact O-CB 3.3Å; N191-S195 PolarHBondContact O-N 3.1Å; N191-S195 PolarHBondContact O-OG 3.37Å
192I66.4Low62.4Low25 Ų2565.1 Ų65.113%0.12833%0.332CS..Hα-helixtrans-66.8-43.6177.9-66.5163.8000111.2V119 P120 L123 F188 G189 L190 T194 S195 N196V119-I192 HydrophobicContact CG1-CD1 3.77Å; V119-I192 HydrophobicContact CG1-CG1 4.32Å; P120-I192 HydrophobicContact CG-CG2 4.13Å; L123-I192 HydrophobicContact CD2-CD1 3.94Å; F188-I192 HydrophobicContact CD1-CD1 3.59Å; F188-I192 HydrophobicContact CE1-CD1 3.65Å; F188-I192 HydrophobicContact CG-CD1 4.42Å; F188-I192 HydrophobicContact CZ-CD1 4.46Å; F188-I192 VanDerWaalsContact O-CG1 3.3Å; F188-I192 WeakPolarHBondContact O-CG1 3.14Å; F188-I192 PolarHBondContact O-N 3.34Å; F188-I192 VanDerWaalsContact O-N 3.07Å; G189-I192 PolarHBondContact O-N 3.09Å; L190-I192 VanDerWaalsContact C-N 3.29Å; L190-I192 PolarHBondContact O-N 3.08Å; I192-T194 VanDerWaalsContact C-N 3.32Å; I192-S195 PolarHBondContact O-N 3.44Å; I192-S195 PolarHBondContact O-OG 2.94Å; I192-S195 VanDerWaalsContact O-OG 3.06Å; I192-N196 VanDerWaalsContact O-CB 3.26Å; I192-N196 WeakPolarHBondContact O-CB 3.33Å; I192-N196 PolarHBondContact O-N 3.11Å
193I64.8Low60Low84 Ų8463.8 Ų63.843%0.43133%0.328SS..Hα-helixtrans-63.8-44.3178.9-66.5165.4000109.7G189 L190 S195 N196 Y197 L198G189-I193 WeakPolarHBondContact O-CG1 3.21Å; G189-I193 PolarHBondContact O-N 3.47Å; L190-I193 PolarHBondContact O-N 3.48Å; I193-S195 VanDerWaalsContact C-N 3.34Å; I193-S195 PolarHBondContact O-N 3.22Å; I193-N196 PolarHBondContact O-N 2.88Å; I193-Y197 PolarHBondContact O-N 3.22Å; I193-L198 PolarHBondContact O-N 3.46Å
194T59.5Low58Low36 Ų3668.6 Ų68.622%0.22136%0.356CS..Hα-helixtrans-67-33.3177.156.50000112.5L190 N191 I192 L198 I202L190-T194 WeakPolarHBondContact O-CB 2.99Å; L190-T194 VanDerWaalsContact O-CG2 3.32Å; L190-T194 WeakPolarHBondContact O-CG2 3.26Å; L190-T194 PolarHBondContact O-N 3.29Å; L190-T194 PolarHBondContact O-OG1 2.9Å; N191-T194 WeakPolarHBondContact CA-OG1 3.31Å; N191-T194 PolarHBondContact O-N 2.97Å; N191-T194 PolarHBondContact O-OG1 3.42Å; I192-T194 VanDerWaalsContact C-N 3.32Å; T194-L198 HydrophobicContact CG2-CD1 4.4Å; T194-I202 HydrophobicContact CG2-CD1 3.75Å
195S59.1Low55.8Low77 Ų7774.6 Ų74.654%0.53838%0.384SS..Hα-helixtrans-77.9-30178.969.40000113.1N191 I192 I193N191-S195 WeakPolarHBondContact O-CB 3.3Å; N191-S195 PolarHBondContact O-N 3.1Å; N191-S195 PolarHBondContact O-OG 3.37Å; I192-S195 PolarHBondContact O-N 3.44Å; I192-S195 PolarHBondContact O-OG 2.94Å; I192-S195 VanDerWaalsContact O-OG 3.06Å; I193-S195 VanDerWaalsContact C-N 3.34Å; I193-S195 PolarHBondContact O-N 3.22Å
196N59.5Low54.1Low64 Ų6472.2 Ų72.234%0.34238%0.375SS..Hα-helixtrans-103.5-30.1-169.4-68.4-7.4000114.4I192 I193I192-N196 VanDerWaalsContact O-CB 3.26Å; I192-N196 WeakPolarHBondContact O-CB 3.33Å; I192-N196 PolarHBondContact O-N 3.11Å; I193-N196 PolarHBondContact O-N 2.88Å
197Y55.8Low52.7Low188 Ų18871.6 Ų71.674%0.73737%0.37SS*.THydrogen-bonded Turntrans-121-22.2-170-66-76.4000113.9I193I193-Y197 PolarHBondContact O-N 3.22Å
198L41.8Very low51.9Low79 Ų7976.5 Ų76.541%0.41440%0.396SS..  trans-111.2104.9176.2-64168.6000107.3I193 T194 I200I193-L198 PolarHBondContact O-N 3.46Å; T194-L198 HydrophobicContact CG2-CD1 4.4Å; L198-I200 HydrophobicContact CB-CB 4.1Å; L198-I200 HydrophobicContact CB-CD1 4.18Å; L198-I200 HydrophobicContact CB-CG1 4.05Å; L198-I200 HydrophobicContact CD1-CD1 4.39Å; L198-I200 HydrophobicContact CD2-CD1 4.04Å; L198-I200 HydrophobicContact CG-CD1 4.43Å; L198-I200 CarbonylContact O-C 3.59Å; L198-I200 PolarHBondContact O-N 3.34Å
199N37.2Very low51.1Low75 Ų7580.3 Ų80.340%0.40141%0.412SS..  trans-62.816.4161.8-89.5-1.8000113.2H201 Q715 I717N199-H201 PolarHBondContact O-N 2.89Å; N199-Q715 VanDerWaalsContact ND2-CG 3.34Å; N199-Q715 WeakPolarHBondContact ND2-CG 3.47Å; N199-Q715 PolarHBondContact ND2-NE2 2.87Å; N199-Q715 VanDerWaalsContact ND2-NE2 3.13Å; N199-Q715 PolarHBondContact ND2-OE1 2.77Å; N199-I717 HydrophobicContact CB-CD1 4.12Å; N199-I717 VanDerWaalsContact CG-CD1 3.45Å; N199-I717 WeakPolarHBondContact OD1-CD1 3.33Å
200I34.7Very low50.7Low105 Ų10587.4 Ų87.454%0.53844%0.438SS..  trans-69.990.1158.6-52175.3000105L198 I202L198-I200 HydrophobicContact CB-CB 4.1Å; L198-I200 HydrophobicContact CB-CD1 4.18Å; L198-I200 HydrophobicContact CB-CG1 4.05Å; L198-I200 HydrophobicContact CD1-CD1 4.39Å; L198-I200 HydrophobicContact CD2-CD1 4.04Å; L198-I200 HydrophobicContact CG-CD1 4.43Å; L198-I200 CarbonylContact O-C 3.59Å; L198-I200 PolarHBondContact O-N 3.34Å; I200-I202 HydrophobicContact CG2-CG1 4.18Å; I200-I202 PolarHBondContact O-N 2.92Å
201H37.3Very low50.1Low86 Ų8685.1 Ų85.140%0.39843%0.427SS..  trans-49.298147.4-80.5-71.4000105.9N199 S203 I717 L720N199-H201 PolarHBondContact O-N 2.89Å; H201-S203 PolarHBondContact O-N 2.88Å; H201-I717 VanDerWaalsContact CE1-CG2 3.42Å; H201-I717 WeakPolarHBondContact CE1-CG2 3.47Å; H201-L720 WeakPolarHBondContact ND1-CD1 3.48Å
202I36.8Very low49.6Very low69 Ų6984.4 Ų84.435%0.35442%0.42SS..  trans-67.276151.8-56.1173.6000102.7T194 I200 L204T194-I202 HydrophobicContact CG2-CD1 3.75Å; I200-I202 HydrophobicContact CG2-CG1 4.18Å; I200-I202 PolarHBondContact O-N 2.92Å; I202-L204 PolarHBondContact O-N 2.88Å
203S35Very low49.5Very low40 Ų4086.8 Ų86.828%0.2843%0.432SS..  trans-55.7130.3164.972.90000103.2H201 H205 S206H201-S203 PolarHBondContact O-N 2.88Å; S203-H205 PolarHBondContact O-N 2.89Å; S203-S206 PolarHBondContact O-N 3.26Å; S203-S206 PolarHBondContact O-OG 2.84Å; S203-S206 PolarHBondContact OG-N 3.47Å
204L40.8Very low49.5Very low139 Ų13984.9 Ų84.973%0.72842%0.423SS*.THydrogen-bonded Turntrans-54.4-9.4169-12482.6000111.5I202I202-L204 PolarHBondContact O-N 2.88Å
205H38.6Very low49.6Very low133 Ų13385.9 Ų85.962%0.61643%0.429SS*.THydrogen-bonded Turntrans-91.5-5.3174.6-61.8-49.8000115S203 H207S203-H205 PolarHBondContact O-N 2.89Å; H205-H207 VanDerWaalsContact C-N 3.26Å; H205-H207 AromaticContact ND1-NE2 3.94Å; H205-H207 PolarHBondContact O-CD2 2.96Å; H205-H207 PolarHBondContact O-N 3.37Å
206S43.5Very low50Low45 Ų4584 Ų8432%0.31541%0.41SS..  trans-7882.9166.165.20000108.9S203 N208S203-S206 PolarHBondContact O-N 3.26Å; S203-S206 PolarHBondContact O-OG 2.84Å; S203-S206 PolarHBondContact OG-N 3.47Å; S206-N208 PolarHBondContact O-N 2.95Å
207H48.8Very low50.5Low63 Ų6383.9 Ų83.929%0.29241%0.409SS..  trans-73.147.1-166.8-73.5-56.4000115H205 C410H205-H207 VanDerWaalsContact C-N 3.26Å; H205-H207 AromaticContact ND1-NE2 3.94Å; H205-H207 PolarHBondContact O-CD2 2.96Å; H205-H207 PolarHBondContact O-N 3.37Å; H207-C410 HydrophobicContact CB-CB 3.77Å; H207-C410 PolarHBondContact O-SG 3.49Å
208N53.6Low51.1Low110 Ų11078.3 Ų78.359%0.58839%0.389SS*.  trans-87.4149176.9-75.4-17.7000112.1S206 Y210 C211 R212S206-N208 PolarHBondContact O-N 2.95Å; N208-Y210 PolarHBondContact O-N 3.4Å; N208-Y210 VanDerWaalsContact O-N 3.12Å; N208-C211 WeakPolarHBondContact O-CB 3.47Å; N208-C211 PolarHBondContact O-N 2.95Å; N208-R212 PolarHBondContact O-N 2.87Å
209F56.2Low52.3Low134 Ų13476.4 Ų76.459%0.58838%0.379SS*.Hα-helixtrans-51-35.4173.9179.3-97000112.4C211 R212 L213F209-C211 PolarHBondContact O-N 3.33Å; F209-R212 WeakPolarHBondContact O-CB 3.5Å; F209-R212 PolarHBondContact O-N 2.81Å; F209-R212 VanDerWaalsContact O-N 3.14Å; F209-L213 PolarHBondContact O-N 2.84Å
210Y60.2Low54Low159 Ų15973.6 Ų73.662%0.62436%0.364SS*.Hα-helixtrans-58.9-43.7175.1-174.3-98.4000113.1N208 R212 L213 L214N208-Y210 PolarHBondContact O-N 3.4Å; N208-Y210 VanDerWaalsContact O-N 3.12Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.2Å; Y210-L213 PolarHBondContact O-N 2.82Å; Y210-L214 HydrophobicContact CE1-CD1 3.98Å; Y210-L214 VanDerWaalsContact O-CB 3.3Å; Y210-L214 WeakPolarHBondContact O-CB 3.24Å; Y210-L214 PolarHBondContact O-N 2.85Å
211C56.2Low55.9Low18 Ų1869.1 Ų69.112%0.12234%0.341CS..Hα-helixtrans-66.1-33.6176.7-1700000111.4N208 F209 T215N208-C211 WeakPolarHBondContact O-CB 3.47Å; N208-C211 PolarHBondContact O-N 2.95Å; F209-C211 PolarHBondContact O-N 3.33Å; C211-T215 WeakPolarHBondContact O-CB 3.42Å; C211-T215 PolarHBondContact O-N 3.44Å; C211-T215 PolarHBondContact O-OG1 2.91Å
212R56.1Low57.6Low43 Ų4367.4 Ų67.416%0.16233%0.332CS..Hα-helixtrans-64.3-50.2175.1-58.3-178.9178.7-163.4-4.2111.1N208 F209 Y210 L214 T215 Y216 Y401 I403 C410N208-R212 PolarHBondContact O-N 2.87Å; F209-R212 WeakPolarHBondContact O-CB 3.5Å; F209-R212 PolarHBondContact O-N 2.81Å; F209-R212 VanDerWaalsContact O-N 3.14Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.2Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 2.86Å; R212-T215 PolarHBondContact O-N 2.89Å; R212-Y216 WeakPolarHBondContact O-CB 3.33Å; R212-Y216 PolarHBondContact O-N 3.44Å; R212-Y401 PolarHBondContact NH1-O 3.43Å; R212-Y401 PolarHBondContact NH2-O 3.11Å; R212-Y401 VanDerWaalsContact NH2-O 3.11Å; R212-I403 VanDerWaalsContact NH2-CG1 3.33Å; R212-C410 PolarHBondContact NE-SG 3.22Å; R212-C410 PolarHBondContact NH2-SG 2.88Å
213L64.4Low59.4Low75 Ų7565.9 Ų65.939%0.39332%0.322SS..Hα-helixtrans-62.2-43.5179.1-175.168.6000110.8F209 Y210 T215 Y216 I217F209-L213 PolarHBondContact O-N 2.84Å; Y210-L213 PolarHBondContact O-N 2.82Å; L213-T215 PolarHBondContact O-N 2.91Å; L213-Y216 PolarHBondContact O-N 3.47Å; L213-I217 HydrophobicContact CD1-CD1 4.16Å; L213-I217 HydrophobicContact CD1-CG1 4.46Å; L213-I217 HydrophobicContact CD2-CD1 4.37Å; L213-I217 HydrophobicContact CG-CD1 3.8Å; L213-I217 HydrophobicContact CG-CG1 4.44Å; L213-I217 WeakPolarHBondContact O-CB 3.42Å; L213-I217 VanDerWaalsContact O-CG1 3.24Å; L213-I217 WeakPolarHBondContact O-CG1 3.17Å; L213-I217 PolarHBondContact O-N 3.23Å
214L64.8Low61.4Low45 Ų4564.4 Ų64.424%0.23631%0.311CS..Hα-helixtrans-65.9-39.2179.3-167.9133000112.1L190 Y210 R212 K218L190-L214 HydrophobicContact CD1-CD1 4.39Å; Y210-L214 HydrophobicContact CE1-CD1 3.98Å; Y210-L214 VanDerWaalsContact O-CB 3.3Å; Y210-L214 WeakPolarHBondContact O-CB 3.24Å; Y210-L214 PolarHBondContact O-N 2.85Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 2.86Å; L214-K218 WeakPolarHBondContact O-CB 3.36Å; L214-K218 PolarHBondContact O-N 3.26Å
215T62Low63.2Low56 Ų5657.8 Ų57.834%0.34428%0.277SS..Hα-helixtrans-68.2-39.6175.1-53.60000111.8C211 R212 L213 K218 N219C211-T215 WeakPolarHBondContact O-CB 3.42Å; C211-T215 PolarHBondContact O-N 3.44Å; C211-T215 PolarHBondContact O-OG1 2.91Å; R212-T215 PolarHBondContact O-N 2.89Å; L213-T215 PolarHBondContact O-N 2.91Å; T215-K218 WeakPolarHBondContact O-CB 3.46Å; T215-K218 PolarHBondContact O-N 3.16Å; T215-N219 PolarHBondContact O-N 3.26Å
216Y66.1Low65Low38 Ų3851.9 Ų51.915%0.14925%0.249CC..Hα-helixtrans-62.2-50.9174.5171.9-98.3000111.7R212 L213 K218 N219 I220 N394 I398R212-Y216 WeakPolarHBondContact O-CB 3.33Å; R212-Y216 PolarHBondContact O-N 3.44Å; L213-Y216 PolarHBondContact O-N 3.47Å; Y216-K218 VanDerWaalsContact C-N 3.29Å; Y216-K218 PolarHBondContact O-N 3.35Å; Y216-N219 PolarHBondContact O-N 3.15Å; Y216-I220 HydrophobicContact CD1-CD1 3.91Å; Y216-I220 HydrophobicContact CD2-CD1 4.15Å; Y216-I220 HydrophobicContact CE1-CD1 3.31Å; Y216-I220 HydrophobicContact CE2-CD1 3.58Å; Y216-I220 HydrophobicContact CE2-CG1 4.49Å; Y216-I220 HydrophobicContact CG-CD1 4.3Å; Y216-I220 WeakPolarHBondContact O-CG1 3.34Å; Y216-I220 PolarHBondContact O-N 3.24Å; Y216-I220 VanDerWaalsContact OH-CD1 3.29Å; Y216-I220 WeakPolarHBondContact OH-CD1 3.48Å; Y216-N394 HydrophobicContact CD2-CB 3.86Å; Y216-N394 WeakPolarHBondContact CD2-O 3.46Å; Y216-N394 VanDerWaalsContact CE2-C 3.43Å; Y216-N394 HydrophobicContact CE2-CB 3.49Å; Y216-N394 VanDerWaalsContact CE2-CB 3.49Å; Y216-N394 WeakPolarHBondContact CE2-O 3.47Å; Y216-I398 HydrophobicContact CD1-CD1 4.32Å; Y216-I398 HydrophobicContact CD2-CD1 3.88Å; Y216-I398 HydrophobicContact CD2-CG1 3.92Å; Y216-I398 HydrophobicContact CE1-CD1 4.29Å; Y216-I398 HydrophobicContact CE2-CD1 3.85Å; Y216-I398 HydrophobicContact CE2-CG1 4.26Å; Y216-I398 HydrophobicContact CG-CD1 4.12Å; Y216-I398 HydrophobicContact CG-CG1 4.29Å
217I70Confident66.7Low62 Ų6250.8 Ų50.832%0.31824%0.239SC..Hα-helixtrans-60-42.4176.1-70171.1000110.2L213 N219 I220 L221L213-I217 HydrophobicContact CD1-CD1 4.16Å; L213-I217 HydrophobicContact CD1-CG1 4.46Å; L213-I217 HydrophobicContact CD2-CD1 4.37Å; L213-I217 HydrophobicContact CG-CD1 3.8Å; L213-I217 HydrophobicContact CG-CG1 4.44Å; L213-I217 WeakPolarHBondContact O-CB 3.42Å; L213-I217 VanDerWaalsContact O-CG1 3.24Å; L213-I217 WeakPolarHBondContact O-CG1 3.17Å; L213-I217 PolarHBondContact O-N 3.23Å; I217-N219 PolarHBondContact O-N 2.94Å; I217-I220 PolarHBondContact O-N 3.15Å; I217-L221 HydrophobicContact CG2-CD1 3.46Å; I217-L221 VanDerWaalsContact CG2-CD1 3.46Å; I217-L221 HydrophobicContact CG2-CG 3.98Å; I217-L221 WeakPolarHBondContact O-CB 3.5Å; I217-L221 WeakPolarHBondContact O-CG 3.43Å; I217-L221 PolarHBondContact O-N 3.13Å
218K69.1Low68.3Low70 Ų7047.9 Ų47.930%0.30423%0.225SC..Hα-helixtrans-55.7-49.8175.1163.5163.3-172.2-179.20111.7W183 V187 L214 T215 Y216 I220 K222W183-K218 HydrophobicContact CH2-CG 4.04Å; W183-K218 HydrophobicContact CZ3-CB 4.34Å; W183-K218 HydrophobicContact CZ3-CG 3.99Å; W183-K218 WeakPolarHBondContact CZ3-O 3.38Å; V187-K218 HydrophobicContact CG1-CB 3.97Å; V187-K218 HydrophobicContact CG1-CD 3.68Å; V187-K218 HydrophobicContact CG1-CG 3.68Å; V187-K218 HydrophobicContact CG2-CB 4.21Å; L214-K218 WeakPolarHBondContact O-CB 3.36Å; L214-K218 PolarHBondContact O-N 3.26Å; T215-K218 WeakPolarHBondContact O-CB 3.46Å; T215-K218 PolarHBondContact O-N 3.16Å; Y216-K218 VanDerWaalsContact C-N 3.29Å; Y216-K218 PolarHBondContact O-N 3.35Å; K218-I220 PolarHBondContact O-N 3.4Å; K218-K222 WeakPolarHBondContact O-CB 3.48Å; K218-K222 PolarHBondContact O-N 3.14Å; K218-K222 VanDerWaalsContact O-N 3.12Å
219N66.8Low69.6Low39 Ų3943.1 Ų43.121%0.20920%0.199CC..Hα-helixtrans-65.5-43.4-179.9-68.8-17.2000111.6T215 Y216 I217 K222 Y223T215-N219 PolarHBondContact O-N 3.26Å; Y216-N219 PolarHBondContact O-N 3.15Å; I217-N219 PolarHBondContact O-N 2.94Å; N219-K222 PolarHBondContact O-N 3.32Å; N219-Y223 HydrophobicContact CB-CE2 4.47Å; N219-Y223 WeakPolarHBondContact O-CD2 3.32Å; N219-Y223 PolarHBondContact O-N 3.46Å
220I73.5Confident70.6Confident16 Ų1636.7 Ų36.78%0.08217%0.171CC..Hα-helixtrans-62.8-51.9-179.9-72177.5000111.9Y216 I217 K218 K222 Y223 I224 I390 N394Y216-I220 HydrophobicContact CD1-CD1 3.91Å; Y216-I220 HydrophobicContact CD2-CD1 4.15Å; Y216-I220 HydrophobicContact CE1-CD1 3.31Å; Y216-I220 HydrophobicContact CE2-CD1 3.58Å; Y216-I220 HydrophobicContact CE2-CG1 4.49Å; Y216-I220 HydrophobicContact CG-CD1 4.3Å; Y216-I220 WeakPolarHBondContact O-CG1 3.34Å; Y216-I220 PolarHBondContact O-N 3.24Å; Y216-I220 VanDerWaalsContact OH-CD1 3.29Å; Y216-I220 WeakPolarHBondContact OH-CD1 3.48Å; I217-I220 PolarHBondContact O-N 3.15Å; K218-I220 PolarHBondContact O-N 3.4Å; I220-K222 PolarHBondContact O-N 2.95Å; I220-Y223 PolarHBondContact O-N 3.36Å; I220-I224 HydrophobicContact CG2-CD1 3.45Å; I220-I224 VanDerWaalsContact CG2-CD1 3.45Å; I220-I224 HydrophobicContact CG2-CG1 4.19Å; I220-I224 WeakPolarHBondContact O-CG1 3.48Å; I220-I224 PolarHBondContact O-N 2.91Å; I220-I224 VanDerWaalsContact O-N 3.16Å; I220-I390 HydrophobicContact CG1-CG2 4.24Å; I220-I390 HydrophobicContact CG2-CG2 4.49Å; I220-N394 HydrophobicContact CD1-CB 4.16Å; I220-N394 HydrophobicContact CG1-CB 4.02Å; I220-N394 VanDerWaalsContact CG1-ND2 3.31Å; I220-N394 WeakPolarHBondContact CG1-ND2 3.36Å
221L73.7Confident71.5Confident11 Ų1130.1 Ų30.16%0.05815%0.147CC..Hα-helixtrans-65.2-30-176.7-70.4-179.8000112.3F179 L182 W183 L186 V187 I217 P225F179-L221 HydrophobicContact CD1-CD2 4.21Å; L182-L221 HydrophobicContact CD2-CD1 4.3Å; L182-L221 HydrophobicContact CD2-CD2 3.55Å; L182-L221 HydrophobicContact CG-CD1 4.09Å; L182-L221 HydrophobicContact CG-CD2 4.05Å; W183-L221 HydrophobicContact CB-CB 4.2Å; W183-L221 HydrophobicContact CD2-CB 4.44Å; W183-L221 HydrophobicContact CE3-CB 3.61Å; W183-L221 HydrophobicContact CZ3-CB 4.4Å; L186-L221 HydrophobicContact CB-CD1 4.29Å; L186-L221 HydrophobicContact CD1-CD1 3.88Å; V187-L221 HydrophobicContact CG2-CD1 4.29Å; I217-L221 HydrophobicContact CG2-CD1 3.46Å; I217-L221 VanDerWaalsContact CG2-CD1 3.46Å; I217-L221 HydrophobicContact CG2-CG 3.98Å; I217-L221 WeakPolarHBondContact O-CB 3.5Å; I217-L221 WeakPolarHBondContact O-CG 3.43Å; I217-L221 PolarHBondContact O-N 3.13Å; L221-P225 WeakPolarHBondContact O-CD 3.48Å
222K73.8Confident72.5Confident51 Ų5129.5 Ų29.522%0.22214%0.142CC..Hα-helixtrans-62.7-45.1174.8-172.9171.9173.1169.60112.2W183 K218 N219 I220 E512W183-K222 HydrophobicContact CD2-CB 4.27Å; W183-K222 HydrophobicContact CE3-CB 4.07Å; W183-K222 VanDerWaalsContact CE3-N 3.32Å; W183-K222 HydrophobicContact CH2-CB 3.51Å; W183-K222 HydrophobicContact CH2-CD 4.09Å; W183-K222 HydrophobicContact CH2-CG 3.92Å; W183-K222 HydrophobicContact CZ2-CB 3.75Å; W183-K222 HydrophobicContact CZ2-CD 3.99Å; W183-K222 HydrophobicContact CZ2-CG 3.71Å; W183-K222 HydrophobicContact CZ3-CB 3.66Å; K218-K222 WeakPolarHBondContact O-CB 3.48Å; K218-K222 PolarHBondContact O-N 3.14Å; K218-K222 VanDerWaalsContact O-N 3.12Å; N219-K222 PolarHBondContact O-N 3.32Å; I220-K222 PolarHBondContact O-N 2.95Å; K222-E512 VanDerWaalsContact CE-OE2 3.31Å; K222-E512 WeakPolarHBondContact CE-OE2 3.18Å; K222-E512 IonicContact NZ-OE1 3.48Å; K222-E512 PolarHBondContact NZ-OE1 2.79Å; K222-E512 IonicContact NZ-OE2 3.96Å; K222-E512 PolarHBondContact NZ-OE2 2.96Å
223Y73.3Confident73.4Confident36 Ų3627.4 Ų27.414%0.14113%0.134CC..Hα-helixtrans-90-25-168-63.6-61.5000113.8N219 I220 I226 W227 H432N219-Y223 HydrophobicContact CB-CE2 4.47Å; N219-Y223 WeakPolarHBondContact O-CD2 3.32Å; N219-Y223 PolarHBondContact O-N 3.46Å; I220-Y223 PolarHBondContact O-N 3.36Å; Y223-I226 HydrophobicContact CD1-CD1 4.04Å; Y223-I226 PolarHBondContact O-N 3.12Å; Y223-W227 VanDerWaalsContact O-CD1 3.28Å; Y223-W227 PolarHBondContact O-N 3.45Å; Y223-W227 VanDerWaalsContact O-N 3.08Å; Y223-H432 HydrophobicContact CD1-CB 3.77Å; Y223-H432 WeakPolarHBondContact CD1-O 3.26Å; Y223-H432 HydrophobicContact CD2-CB 3.57Å; Y223-H432 AromaticContact CD2-CD2 3.96Å; Y223-H432 AromaticContact CD2-CG 3.54Å; Y223-H432 AromaticContact CD2-ND1 3.84Å; Y223-H432 HydrophobicContact CE1-CB 3.64Å; Y223-H432 WeakPolarHBondContact CE1-O 3.4Å; Y223-H432 HydrophobicContact CE2-CB 3.46Å; Y223-H432 VanDerWaalsContact CE2-CB 3.46Å; Y223-H432 AromaticContact CE2-CD2 3.89Å; Y223-H432 AromaticContact CE2-CG 3.71Å; Y223-H432 HydrophobicContact CG-CB 3.76Å; Y223-H432 VanDerWaalsContact CZ-CB 3.49Å
224I78.7Confident73.9Confident9 Ų925.6 Ų25.65%0.04613%0.127CC..Hα-helixtrans-54.2-48.2-179.8-73.1166.6000113F179 I220 I226 W227 L228 F383 I390F179-I224 HydrophobicContact CB-CG2 3.8Å; F179-I224 HydrophobicContact CD1-CD1 4.17Å; F179-I224 HydrophobicContact CD1-CG2 4.14Å; F179-I224 HydrophobicContact CD2-CG2 3.59Å; F179-I224 HydrophobicContact CE1-CD1 4.26Å; F179-I224 HydrophobicContact CE2-CG2 4.22Å; F179-I224 HydrophobicContact CG-CB 4.49Å; F179-I224 HydrophobicContact CG-CG2 3.57Å; I220-I224 HydrophobicContact CG2-CD1 3.45Å; I220-I224 VanDerWaalsContact CG2-CD1 3.45Å; I220-I224 HydrophobicContact CG2-CG1 4.19Å; I220-I224 WeakPolarHBondContact O-CG1 3.48Å; I220-I224 PolarHBondContact O-N 2.91Å; I220-I224 VanDerWaalsContact O-N 3.16Å; I224-I226 VanDerWaalsContact C-N 3.32Å; I224-I226 PolarHBondContact O-N 2.98Å; I224-W227 PolarHBondContact O-N 3.21Å; I224-L228 HydrophobicContact CG2-CD1 3.7Å; I224-L228 HydrophobicContact CG2-CG 4.27Å; I224-L228 WeakPolarHBondContact O-CB 3.3Å; I224-L228 WeakPolarHBondContact O-CG 3.43Å; I224-L228 PolarHBondContact O-N 3.49Å; I224-F383 HydrophobicContact CG2-CE2 4.39Å; I224-I390 HydrophobicContact CG1-CD1 4.29Å
225P77.5Confident74.4Confident1 Ų123.5 Ų23.51%0.00612%0.116CC..Hα-helixtrans-60-39.3179-26.836.3000113.6Y176 F179 S180 L221 L228 I229 F590Y176-P225 HydrophobicContact CD2-CB 3.89Å; Y176-P225 WeakPolarHBondContact CD2-O 3.18Å; Y176-P225 HydrophobicContact CE2-CB 3.75Å; F179-P225 HydrophobicContact CB-CG 4.34Å; S180-P225 WeakPolarHBondContact OG-CB 3.33Å; L221-P225 WeakPolarHBondContact O-CD 3.48Å; P225-L228 PolarHBondContact O-N 2.71Å; P225-I229 WeakPolarHBondContact O-CD1 3.33Å; P225-I229 WeakPolarHBondContact O-CG1 3.25Å; P225-I229 PolarHBondContact O-N 3.32Å; P225-F590 HydrophobicContact CB-CE1 4.5Å; P225-F590 HydrophobicContact CB-CZ 4.48Å
226I77.8Confident75Confident8 Ų820.9 Ų20.94%0.04110%0.1CC..Hα-helixtrans-62.7-49.7178.5-58.5166.2000109.6Y223 I224 L228 I229 S230 P436Y223-I226 HydrophobicContact CD1-CD1 4.04Å; Y223-I226 PolarHBondContact O-N 3.12Å; I224-I226 VanDerWaalsContact C-N 3.32Å; I224-I226 PolarHBondContact O-N 2.98Å; I226-L228 VanDerWaalsContact C-N 3.31Å; I226-L228 PolarHBondContact O-N 2.9Å; I226-I229 PolarHBondContact O-N 2.89Å; I226-S230 PolarHBondContact O-N 2.94Å; I226-S230 VanDerWaalsContact O-N 3.16Å; I226-S230 PolarHBondContact O-OG 3.05Å; I226-P436 HydrophobicContact CB-CB 4.46Å; I226-P436 HydrophobicContact CG2-CB 3.43Å; I226-P436 VanDerWaalsContact CG2-CB 3.43Å; I226-P436 HydrophobicContact CG2-CG 4.14Å
227W79.1Confident75.2Confident23 Ų2319.1 Ų19.19%0.0879%0.093CC..Hα-helixtrans-61.1-38.3178.1-86.7100.5000113Y223 I224 I229 S230 L231 V386 I390 L435 P436 I439Y223-W227 VanDerWaalsContact O-CD1 3.28Å; Y223-W227 PolarHBondContact O-N 3.45Å; Y223-W227 VanDerWaalsContact O-N 3.08Å; I224-W227 PolarHBondContact O-N 3.21Å; W227-I229 VanDerWaalsContact C-N 3.34Å; W227-I229 PolarHBondContact O-N 2.93Å; W227-S230 WeakPolarHBondContact O-CB 3.35Å; W227-S230 PolarHBondContact O-N 3.36Å; W227-L231 WeakPolarHBondContact O-CG 3.43Å; W227-L231 PolarHBondContact O-N 3.49Å; W227-V386 HydrophobicContact CB-CG1 3.79Å; W227-V386 HydrophobicContact CD2-CG1 3.74Å; W227-V386 HydrophobicContact CE3-CG1 3.59Å; W227-V386 HydrophobicContact CE3-CG2 4.3Å; W227-V386 HydrophobicContact CG-CG1 3.87Å; W227-V386 HydrophobicContact CZ3-CG1 4.37Å; W227-I390 HydrophobicContact CB-CD1 4.08Å; W227-I390 VanDerWaalsContact CD1-CD1 3.41Å; W227-I390 HydrophobicContact CD2-CD1 4.27Å; W227-I390 HydrophobicContact CG-CD1 3.67Å; W227-L435 HydrophobicContact CH2-CD2 3.59Å; W227-L435 HydrophobicContact CH2-CG 3.94Å; W227-L435 HydrophobicContact CZ2-CD2 3.94Å; W227-L435 HydrophobicContact CZ2-CG 4.29Å; W227-P436 HydrophobicContact CD2-CG 4.06Å; W227-P436 HydrophobicContact CG-CG 4.24Å; W227-P436 HydrophobicContact CZ2-CG 4.04Å; W227-I439 HydrophobicContact CE3-CD1 4.47Å; W227-I439 HydrophobicContact CH2-CD1 4.04Å; W227-I439 HydrophobicContact CZ3-CD1 3.65Å
228L81.4Confident75.1Confident2 Ų219.6 Ų19.61%0.0110%0.096CC..Hα-helixtrans-61.4-41.2176.9-83.2168.8000112.2L172 W175 Y176 F179 I224 P225 I226 L231 M232 F383L172-L228 HydrophobicContact CD2-CD2 3.94Å; W175-L228 HydrophobicContact CB-CD1 4.33Å; Y176-L228 HydrophobicContact CD2-CB 4.36Å; F179-L228 HydrophobicContact CD2-CD1 4.01Å; I224-L228 HydrophobicContact CG2-CD1 3.7Å; I224-L228 HydrophobicContact CG2-CG 4.27Å; I224-L228 WeakPolarHBondContact O-CB 3.3Å; I224-L228 WeakPolarHBondContact O-CG 3.43Å; I224-L228 PolarHBondContact O-N 3.49Å; P225-L228 PolarHBondContact O-N 2.71Å; I226-L228 VanDerWaalsContact C-N 3.31Å; I226-L228 PolarHBondContact O-N 2.9Å; L228-L231 PolarHBondContact O-N 3.06Å; L228-M232 WeakPolarHBondContact O-CB 3.35Å; L228-M232 WeakPolarHBondContact O-CG 3.33Å; L228-M232 PolarHBondContact O-N 2.93Å; L228-F383 HydrophobicContact CD1-CE2 4.17Å; L228-F383 HydrophobicContact CD2-CD2 3.41Å; L228-F383 VanDerWaalsContact CD2-CD2 3.41Å; L228-F383 HydrophobicContact CD2-CE2 3.85Å; L228-F383 HydrophobicContact CD2-CG 4.42Å; L228-F383 HydrophobicContact CG-CD2 4.22Å; L228-F383 HydrophobicContact CG-CE2 4.24Å
229I80.5Confident74.9Confident9 Ų916.5 Ų16.55%0.0468%0.084CC..Hα-helixtrans-64-44.8175-63.9150.8000110.7Y176 P225 I226 W227 L231 M232 L233 T440 N505 R589Y176-I229 HydrophobicContact CD2-CD1 4.16Å; Y176-I229 HydrophobicContact CD2-CG1 3.88Å; Y176-I229 HydrophobicContact CE2-CD1 3.42Å; Y176-I229 VanDerWaalsContact CE2-CD1 3.42Å; Y176-I229 HydrophobicContact CE2-CG1 3.6Å; P225-I229 WeakPolarHBondContact O-CD1 3.33Å; P225-I229 WeakPolarHBondContact O-CG1 3.25Å; P225-I229 PolarHBondContact O-N 3.32Å; I226-I229 PolarHBondContact O-N 2.89Å; W227-I229 VanDerWaalsContact C-N 3.34Å; W227-I229 PolarHBondContact O-N 2.93Å; I229-L231 VanDerWaalsContact C-N 3.31Å; I229-L231 PolarHBondContact O-N 2.87Å; I229-M232 PolarHBondContact O-N 3.4Å; I229-L233 HydrophobicContact CG2-CD1 4.15Å; I229-L233 PolarHBondContact O-N 3.32Å; I229-T440 HydrophobicContact CG2-CG2 4.46Å; I229-N505 HydrophobicContact CD1-CB 3.77Å; I229-N505 WeakPolarHBondContact CD1-ND2 3.24Å; I229-R589 VanDerWaalsContact CD1-NH2 3.34Å
230S78Confident74.9Confident0 Ų014.7 Ų14.70%07%0.074CC..Hα-helixtrans-57.6-45176.2-55.10000111.3I226 W227 L233 C234 P436 T440I226-S230 PolarHBondContact O-N 2.94Å; I226-S230 VanDerWaalsContact O-N 3.16Å; I226-S230 PolarHBondContact O-OG 3.05Å; W227-S230 WeakPolarHBondContact O-CB 3.35Å; W227-S230 PolarHBondContact O-N 3.36Å; S230-L233 PolarHBondContact O-N 2.88Å; S230-C234 WeakPolarHBondContact O-CB 3.2Å; S230-C234 PolarHBondContact O-N 2.92Å; S230-C234 PolarHBondContact O-SG 3.33Å; S230-C234 VanDerWaalsContact O-SG 3.41Å; S230-P436 PolarHBondContact OG-O 2.96Å; S230-T440 VanDerWaalsContact OG-CG2 3.27Å; S230-T440 WeakPolarHBondContact OG-CG2 3.02Å
231L79Confident74.3Confident20 Ų2020.6 Ų20.611%0.10510%0.096CC..Hα-helixtrans-63.6-44176.1-74.4177.3000112.4W227 L228 I229 L233 C234 D235 L382 V386W227-L231 WeakPolarHBondContact O-CG 3.43Å; W227-L231 PolarHBondContact O-N 3.49Å; L228-L231 PolarHBondContact O-N 3.06Å; I229-L231 VanDerWaalsContact C-N 3.31Å; I229-L231 PolarHBondContact O-N 2.87Å; L231-L233 VanDerWaalsContact C-N 3.35Å; L231-L233 PolarHBondContact O-N 2.85Å; L231-C234 PolarHBondContact O-N 2.84Å; L231-D235 VanDerWaalsContact O-CB 3.22Å; L231-D235 WeakPolarHBondContact O-CB 3.38Å; L231-D235 PolarHBondContact O-N 2.92Å; L231-L382 HydrophobicContact CD2-CB 4.3Å; L231-V386 HydrophobicContact CD1-CB 3.89Å; L231-V386 HydrophobicContact CD1-CG1 4.25Å; L231-V386 HydrophobicContact CD1-CG2 3.68Å; L231-V386 HydrophobicContact CD2-CG2 3.79Å; L231-V386 HydrophobicContact CG-CG2 4.06Å
232M77.4Confident73.7Confident5 Ų527.8 Ų27.83%0.02512%0.123CC..Hα-helixtrans-61.6-42.2178-74.1173.57300112L172 L173 L228 I229 R236 T498L172-M232 HydrophobicContact CB-CG 3.62Å; L172-M232 HydrophobicContact CB-SD 4.04Å; L172-M232 HydrophobicContact CD1-CG 3.91Å; L172-M232 HydrophobicContact CG-CG 4.4Å; L173-M232 HydrophobicContact CB-CE 3.69Å; L173-M232 HydrophobicContact CB-SD 4.43Å; L173-M232 HydrophobicContact CD1-CE 3.9Å; L173-M232 HydrophobicContact CD1-SD 4.48Å; L173-M232 HydrophobicContact CG-CE 4.31Å; L228-M232 WeakPolarHBondContact O-CB 3.35Å; L228-M232 WeakPolarHBondContact O-CG 3.33Å; L228-M232 PolarHBondContact O-N 2.93Å; I229-M232 PolarHBondContact O-N 3.4Å; M232-R236 WeakPolarHBondContact O-CG 3.47Å; M232-R236 PolarHBondContact O-N 3.29Å; M232-T498 HydrophobicContact CB-CG2 4.15Å; M232-T498 HydrophobicContact CE-CG2 3.74Å
233L75.7Confident72.8Confident0 Ų026.1 Ų26.10%012%0.116CC..Hα-helixtrans-67.3-42.2176.2-75170.7000111.8I229 S230 L231 R236 A237 T440 S443 L444 L447 T498 I499I229-L233 HydrophobicContact CG2-CD1 4.15Å; I229-L233 PolarHBondContact O-N 3.32Å; S230-L233 PolarHBondContact O-N 2.88Å; L231-L233 VanDerWaalsContact C-N 3.35Å; L231-L233 PolarHBondContact O-N 2.85Å; L233-R236 PolarHBondContact O-N 3.46Å; L233-A237 VanDerWaalsContact O-CB 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.1Å; L233-A237 PolarHBondContact O-N 3.39Å; L233-T440 HydrophobicContact CD1-CG2 4.04Å; L233-S443 VanDerWaalsContact CB-OG 3.25Å; L233-S443 WeakPolarHBondContact CB-OG 3.45Å; L233-L444 HydrophobicContact CD1-CG 4.33Å; L233-L444 HydrophobicContact CD2-CD2 4.21Å; L233-L447 HydrophobicContact CD2-CD1 3.99Å; L233-T498 WeakPolarHBondContact CD2-O 3.39Å; L233-I499 HydrophobicContact CD2-CG1 4.33Å
234C74.8Confident71.7Confident36 Ų3627.6 Ų27.624%0.24312%0.122CC..Hα-helixtrans-61.9-45.8174.2-78.30000112.1S230 L231 R236 A237 I238 I439S230-C234 WeakPolarHBondContact O-CB 3.2Å; S230-C234 PolarHBondContact O-N 2.92Å; S230-C234 PolarHBondContact O-SG 3.33Å; S230-C234 VanDerWaalsContact O-SG 3.41Å; L231-C234 PolarHBondContact O-N 2.84Å; C234-R236 VanDerWaalsContact C-N 3.3Å; C234-R236 PolarHBondContact O-N 2.95Å; C234-A237 PolarHBondContact O-N 3.36Å; C234-I238 WeakPolarHBondContact O-CB 3.12Å; C234-I238 VanDerWaalsContact O-CG1 3.25Å; C234-I238 WeakPolarHBondContact O-CG1 3.42Å; C234-I238 PolarHBondContact O-N 3.36Å; C234-I439 WeakPolarHBondContact SG-CG2 3.43Å
235D74.4Confident70.2Confident1 Ų135.4 Ų35.41%0.00515%0.152CC..Hα-helixtrans-55-47.4177.2-177.355.1000111.1T169 L231 G239 L374T169-D235 WeakPolarHBondContact CG2-OD2 3.43Å; L231-D235 VanDerWaalsContact O-CB 3.22Å; L231-D235 WeakPolarHBondContact O-CB 3.38Å; L231-D235 PolarHBondContact O-N 2.92Å; D235-G239 PolarHBondContact O-N 2.91Å; D235-L374 WeakPolarHBondContact OD1-CA 3.33Å; D235-L374 WeakPolarHBondContact OD1-CB 3.48Å; D235-L374 WeakPolarHBondContact OD1-CD1 2.93Å; D235-L374 PolarHBondContact OD1-N 3.48Å
236R74.6Confident68.6Low1 Ų139.6 Ų39.60%0.00417%0.171CC..Hα-helixtrans-71-39.1177.8-68.3-57.1-175.4-168.3-7113.6T169 M232 L233 C234 I238 G239 E240 C372 P494 T495 T498T169-R236 HydrophobicContact CG2-CG 3.82Å; T169-R236 VanDerWaalsContact CG2-CZ 3.44Å; T169-R236 PolarHBondContact OG1-NE 2.91Å; T169-R236 PolarHBondContact OG1-NH2 3.26Å; M232-R236 WeakPolarHBondContact O-CG 3.47Å; M232-R236 PolarHBondContact O-N 3.29Å; L233-R236 PolarHBondContact O-N 3.46Å; C234-R236 VanDerWaalsContact C-N 3.3Å; C234-R236 PolarHBondContact O-N 2.95Å; R236-I238 VanDerWaalsContact C-N 3.34Å; R236-I238 PolarHBondContact O-N 2.84Å; R236-G239 PolarHBondContact O-N 3.26Å; R236-E240 WeakPolarHBondContact O-CB 3.24Å; R236-E240 VanDerWaalsContact O-CG 3.27Å; R236-E240 WeakPolarHBondContact O-CG 3.39Å; R236-E240 PolarHBondContact O-N 2.84Å; R236-C372 PolarHBondContact NH1-O 3.07Å; R236-P494 VanDerWaalsContact NH2-CB 3.26Å; R236-T495 HydrophobicContact CB-CG2 4.27Å; R236-T498 HydrophobicContact CG-CG2 4.1Å
237A69.7Low67Low1 Ų141.5 Ų41.51%0.00818%0.181CC..Hα-helixtrans-63.2-42176.600000111.4L233 C234 Y241 L446 L447 I450L233-A237 VanDerWaalsContact O-CB 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.1Å; L233-A237 PolarHBondContact O-N 3.39Å; C234-A237 PolarHBondContact O-N 3.36Å; A237-Y241 WeakPolarHBondContact O-CB 3.32Å; A237-Y241 PolarHBondContact O-N 2.77Å; A237-L446 HydrophobicContact CB-CB 4.36Å; A237-L446 HydrophobicContact CB-CD2 3.71Å; A237-L446 HydrophobicContact CB-CG 4.11Å; A237-L447 HydrophobicContact CB-CD2 4.11Å; A237-L447 HydrophobicContact CB-CG 3.94Å; A237-I450 WeakPolarHBondContact O-CD1 3.48Å
238I69.4Low65.2Low73 Ų7346.1 Ų46.137%0.37420%0.199SC..Hα-helixtrans-67.8-43.6175.3-66.4166000110.7C234 R236 Y241 R242C234-I238 WeakPolarHBondContact O-CB 3.12Å; C234-I238 VanDerWaalsContact O-CG1 3.25Å; C234-I238 WeakPolarHBondContact O-CG1 3.42Å; C234-I238 PolarHBondContact O-N 3.36Å; R236-I238 VanDerWaalsContact C-N 3.34Å; R236-I238 PolarHBondContact O-N 2.84Å; I238-Y241 PolarHBondContact O-N 3.09Å; I238-R242 HydrophobicContact CG2-CG 4.5Å; I238-R242 WeakPolarHBondContact O-CG 3.34Å; I238-R242 PolarHBondContact O-N 3.48Å
239G64.8Low63.2Low5 Ų548.4 Ų48.45%0.05221%0.213CC..Hα-helixtrans-58.6-50.6177.900000112.4D235 R236 Y241 R242 N243 C372D235-G239 PolarHBondContact O-N 2.91Å; R236-G239 PolarHBondContact O-N 3.26Å; G239-Y241 VanDerWaalsContact C-N 3.31Å; G239-Y241 PolarHBondContact O-N 3.29Å; G239-R242 PolarHBondContact O-N 2.73Å; G239-N243 PolarHBondContact O-N 3.47Å; G239-C372 WeakPolarHBondContact O-CB 3.37Å
240E65Low61.3Low0 Ų050 Ų500%022%0.221CC..Hα-helixtrans-65.3-34.2178.6-70.1-79.3177.900111.9R236 R244 I450 K454 T492 T495R236-E240 WeakPolarHBondContact O-CB 3.24Å; R236-E240 VanDerWaalsContact O-CG 3.27Å; R236-E240 WeakPolarHBondContact O-CG 3.39Å; R236-E240 PolarHBondContact O-N 2.84Å; E240-R244 PolarHBondContact O-N 2.91Å; E240-I450 HydrophobicContact CB-CD1 4.1Å; E240-I450 HydrophobicContact CB-CG2 4.33Å; E240-K454 IonicContact OE2-NZ 2.93Å; E240-K454 PolarHBondContact OE2-NZ 3.4Å; E240-T492 WeakPolarHBondContact OE1-CG2 3.42Å; E240-T492 PolarHBondContact OE1-N 3.47Å; E240-T492 PolarHBondContact OE1-OG1 3.07Å; E240-T495 HydrophobicContact CG-CG2 4.22Å; E240-T495 PolarHBondContact OE1-OG1 3.36Å; E240-T495 VanDerWaalsContact OE1-OG1 3.07Å
241Y62.8Low59.3Low140 Ų14054.1 Ų54.155%0.54924%0.243SC..Hα-helixtrans-65.9-43.2173.1-177.2-95.1000112.3A237 I238 G239 R244A237-Y241 WeakPolarHBondContact O-CB 3.32Å; A237-Y241 PolarHBondContact O-N 2.77Å; I238-Y241 PolarHBondContact O-N 3.09Å; G239-Y241 VanDerWaalsContact C-N 3.31Å; G239-Y241 PolarHBondContact O-N 3.29Å; Y241-R244 VanDerWaalsContact O-CB 3.32Å; Y241-R244 WeakPolarHBondContact O-CB 3.35Å; Y241-R244 PolarHBondContact O-N 2.74Å
242R59.9Low57.2Low163 Ų16362.2 Ų62.262%0.61527%0.272SS*.Hα-helixtrans-64.9-39.6177.7-77.2-179.9172.3177.4-2112.6I238 G239 R244 Y245 H246I238-R242 HydrophobicContact CG2-CG 4.5Å; I238-R242 WeakPolarHBondContact O-CG 3.34Å; I238-R242 PolarHBondContact O-N 3.48Å; G239-R242 PolarHBondContact O-N 2.73Å; R242-R244 PolarHBondContact O-N 3.46Å; R242-Y245 WeakPolarHBondContact O-CB 3.37Å; R242-Y245 PolarHBondContact O-N 3.21Å; R242-H246 PolarHBondContact O-N 2.65Å
243N55Low55Low15 Ų1567.4 Ų67.48%0.0830%0.3CS..Hα-helixtrans-54.8-40.1176.5-167.24.1000111.7G239 Y245 H246 I247 C372G239-N243 PolarHBondContact O-N 3.47Å; N243-Y245 VanDerWaalsContact C-N 3.33Å; N243-Y245 PolarHBondContact O-N 3.23Å; N243-H246 PolarHBondContact O-N 2.85Å; N243-H246 VanDerWaalsContact O-N 3.16Å; N243-I247 WeakPolarHBondContact O-CG1 2.95Å; N243-I247 PolarHBondContact O-N 2.88Å; N243-I247 VanDerWaalsContact O-N 3.07Å; N243-C372 HydrophobicContact CB-CB 4.45Å; N243-C372 WeakPolarHBondContact CB-SG 3.2Å; N243-C372 PolarHBondContact ND2-SG 3.36Å
244R51.1Low53.2Low68 Ų6871.8 Ų71.826%0.25732%0.317SS..Hα-helixtrans-59.2-42.9176.3-167.3175.9-175.2-130.5-15.9112.4E240 Y241 R242 H246 I247 Y248 Q453E240-R244 PolarHBondContact O-N 2.91Å; Y241-R244 VanDerWaalsContact O-CB 3.32Å; Y241-R244 WeakPolarHBondContact O-CB 3.35Å; Y241-R244 PolarHBondContact O-N 2.74Å; R242-R244 PolarHBondContact O-N 3.46Å; R244-H246 VanDerWaalsContact C-N 3.25Å; R244-H246 PolarHBondContact O-N 3.32Å; R244-I247 PolarHBondContact O-N 3.09Å; R244-Y248 HydrophobicContact CG-CD2 3.81Å; R244-Y248 HydrophobicContact CG-CE2 3.66Å; R244-Y248 PolarHBondContact NH2-OH 2.98Å; R244-Y248 VanDerWaalsContact O-CD2 3.27Å; R244-Y248 WeakPolarHBondContact O-CD2 3.39Å; R244-Y248 PolarHBondContact O-N 2.83Å; R244-Q453 VanDerWaalsContact CZ-OE1 3.29Å; R244-Q453 VanDerWaalsContact NH1-CD 3.31Å
245Y47.6Very low51.1Low172 Ų17275.4 Ų75.468%0.67533%0.334SS*.Hα-helixtrans-62.4-36.3179.4-167.7-95.6000111.7R242 N243 T249R242-Y245 WeakPolarHBondContact O-CB 3.37Å; R242-Y245 PolarHBondContact O-N 3.21Å; N243-Y245 VanDerWaalsContact C-N 3.33Å; N243-Y245 PolarHBondContact O-N 3.23Å; Y245-T249 HydrophobicContact CD1-CG2 4.22Å; Y245-T249 HydrophobicContact CE1-CG2 3.88Å; Y245-T249 WeakPolarHBondContact O-CG2 3.27Å; Y245-T249 PolarHBondContact O-N 3.03Å; Y245-T249 VanDerWaalsContact O-N 3.1Å; Y245-T249 PolarHBondContact O-OG1 3.31Å
246H43.3Very low49.4Very low89 Ų8981.4 Ų81.441%0.41236%0.361SS..Hα-helixtrans-69.8-41.3177.5-135.9-69.4000112.4R242 N243 R244 Y248 T249 I250R242-H246 PolarHBondContact O-N 2.65Å; N243-H246 PolarHBondContact O-N 2.85Å; N243-H246 VanDerWaalsContact O-N 3.16Å; R244-H246 VanDerWaalsContact C-N 3.25Å; R244-H246 PolarHBondContact O-N 3.32Å; H246-Y248 PolarHBondContact O-N 3.21Å; H246-T249 WeakPolarHBondContact CA-OG1 3.43Å; H246-T249 PolarHBondContact O-N 3.04Å; H246-T249 PolarHBondContact O-OG1 3.46Å; H246-I250 VanDerWaalsContact ND1-CD1 3.35Å; H246-I250 WeakPolarHBondContact ND1-CD1 3.31Å; H246-I250 WeakPolarHBondContact O-CB 3.42Å; H246-I250 VanDerWaalsContact O-CG1 3.31Å; H246-I250 WeakPolarHBondContact O-CG1 3.42Å; H246-I250 PolarHBondContact O-N 3.23Å
247I42.9Very low47.5Very low49 Ų4986.3 Ų86.325%0.25139%0.385SS..Hα-helixtrans-65-40.1176.5-64.1169.7000111.2N243 R244 N251 W369N243-I247 WeakPolarHBondContact O-CG1 2.95Å; N243-I247 PolarHBondContact O-N 2.88Å; N243-I247 VanDerWaalsContact O-N 3.07Å; R244-I247 PolarHBondContact O-N 3.09Å; I247-N251 WeakPolarHBondContact O-CB 3.3Å; I247-N251 PolarHBondContact O-N 2.94Å; I247-W369 HydrophobicContact CD1-CE3 4.5Å; I247-W369 HydrophobicContact CD1-CH2 3.88Å; I247-W369 HydrophobicContact CD1-CZ2 3.89Å; I247-W369 HydrophobicContact CD1-CZ3 4.19Å; I247-W369 HydrophobicContact CG1-CZ2 4.13Å
248Y42.3Very low45.9Very low120 Ų12090.9 Ų90.947%0.47141%0.409SS..Hα-helixtrans-67.9-37.1177.2-87.7-74.1000113.4R244 H246 R252R244-Y248 HydrophobicContact CG-CD2 3.81Å; R244-Y248 HydrophobicContact CG-CE2 3.66Å; R244-Y248 PolarHBondContact NH2-OH 2.98Å; R244-Y248 VanDerWaalsContact O-CD2 3.27Å; R244-Y248 WeakPolarHBondContact O-CD2 3.39Å; R244-Y248 PolarHBondContact O-N 2.83Å; H246-Y248 PolarHBondContact O-N 3.21Å; Y248-R252 WeakPolarHBondContact O-CB 3.31Å; Y248-R252 PolarHBondContact O-N 3.47Å; Y248-R252 VanDerWaalsContact O-N 3.15Å
249T39.5Very low44.3Very low49 Ų4994 Ų9430%0.30143%0.426SS..Hα-helixtrans-71.6-41.8179.241.20000111.4Y245 H246 R252 L253Y245-T249 HydrophobicContact CD1-CG2 4.22Å; Y245-T249 HydrophobicContact CE1-CG2 3.88Å; Y245-T249 WeakPolarHBondContact O-CG2 3.27Å; Y245-T249 PolarHBondContact O-N 3.03Å; Y245-T249 VanDerWaalsContact O-N 3.1Å; Y245-T249 PolarHBondContact O-OG1 3.31Å; H246-T249 WeakPolarHBondContact CA-OG1 3.43Å; H246-T249 PolarHBondContact O-N 3.04Å; H246-T249 PolarHBondContact O-OG1 3.46Å; T249-R252 PolarHBondContact O-N 3.41Å; T249-L253 PolarHBondContact O-N 2.89Å; T249-L253 VanDerWaalsContact O-N 3.12Å
250I40.3Very low42.8Very low44 Ų44101.2 Ų101.223%0.22646%0.459CS..Hα-helixtrans-63.5-48175.3-69.9172.2000111.1H246 R252 L253 Y254H246-I250 VanDerWaalsContact ND1-CD1 3.35Å; H246-I250 WeakPolarHBondContact ND1-CD1 3.31Å; H246-I250 WeakPolarHBondContact O-CB 3.42Å; H246-I250 VanDerWaalsContact O-CG1 3.31Å; H246-I250 WeakPolarHBondContact O-CG1 3.42Å; H246-I250 PolarHBondContact O-N 3.23Å; I250-R252 PolarHBondContact O-N 3.35Å; I250-L253 WeakPolarHBondContact O-CB 3.4Å; I250-L253 PolarHBondContact O-N 3.08Å; I250-Y254 HydrophobicContact CG2-CD2 3.54Å; I250-Y254 HydrophobicContact CG2-CE2 3.55Å; I250-Y254 WeakPolarHBondContact O-CD2 3.44Å; I250-Y254 PolarHBondContact O-N 3.37Å
251N36.9Very low41.3Very low85 Ų85108 Ų10846%0.45549%0.49SS..Hα-helixtrans-62.9-29.9178.2-82-5.7000113I247 N255I247-N251 WeakPolarHBondContact O-CB 3.3Å; I247-N251 PolarHBondContact O-N 2.94Å; N251-N255 WeakPolarHBondContact O-CB 3.35Å; N251-N255 VanDerWaalsContact O-CG 3.27Å; N251-N255 PolarHBondContact O-N 3.49Å
252R33.6Very low39.8Very low190 Ų190108.4 Ų108.472%0.71750%0.502SS*.Hα-helixtrans-73.6-29.6175.7-160.6177.8-172.2-174.72112.6Y248 T249 I250 H256Y248-R252 WeakPolarHBondContact O-CB 3.31Å; Y248-R252 PolarHBondContact O-N 3.47Å; Y248-R252 VanDerWaalsContact O-N 3.15Å; T249-R252 PolarHBondContact O-N 3.41Å; I250-R252 PolarHBondContact O-N 3.35Å; R252-H256 PolarHBondContact O-CD2 3.3Å
253L32.4Very low38.4Very low114 Ų114109.1 Ų109.160%0.59751%0.512SS*.Hα-helixtrans-75.4-41.8174.5-84.2154.4000111.9T249 I250 H256 Q257T249-L253 PolarHBondContact O-N 2.89Å; T249-L253 VanDerWaalsContact O-N 3.12Å; I250-L253 WeakPolarHBondContact O-CB 3.4Å; I250-L253 PolarHBondContact O-N 3.08Å; L253-H256 PolarHBondContact O-N 3.05Å; L253-H256 VanDerWaalsContact O-N 3.12Å; L253-Q257 PolarHBondContact O-N 2.83Å; L253-Q257 VanDerWaalsContact O-N 3.12Å
254Y36Very low37.1Very low92 Ų92115.9 Ų115.936%0.36155%0.547SS..Hα-helixtrans-64.7-41.5176.8-86.5-73000112.7I250 H256 Q257 D258I250-Y254 HydrophobicContact CG2-CD2 3.54Å; I250-Y254 HydrophobicContact CG2-CE2 3.55Å; I250-Y254 WeakPolarHBondContact O-CD2 3.44Å; I250-Y254 PolarHBondContact O-N 3.37Å; Y254-H256 PolarHBondContact O-N 3.48Å; Y254-Q257 PolarHBondContact O-N 2.97Å; Y254-Q257 VanDerWaalsContact O-N 3.14Å; Y254-D258 PolarHBondContact O-N 3.45Å; Y254-D258 VanDerWaalsContact O-N 3.14Å
255N32.2Very low36.1Very low112 Ų112120 Ų12060%0.59957%0.574SS**Hα-helixtrans-65.2-18.6174.8-71.6-3.8000113.3N251N251-N255 WeakPolarHBondContact O-CB 3.35Å; N251-N255 VanDerWaalsContact O-CG 3.27Å; N251-N255 PolarHBondContact O-N 3.49Å
256H37.5Very low35.2Very low127 Ų127117.2 Ų117.259%0.58858%0.578SS**Hα-helixtrans-90.8-21.5174.4-94.3-55.6000113.6R252 L253 Y254R252-H256 PolarHBondContact O-CD2 3.3Å; L253-H256 PolarHBondContact O-N 3.05Å; L253-H256 VanDerWaalsContact O-N 3.12Å; Y254-H256 PolarHBondContact O-N 3.48Å
257Q35.6Very low34.6Very low105 Ų105121.3 Ų121.349%0.49160%0.602SS.*Hα-helixtrans-83.2-36.9176.2-79.3-176.4-39.500112.3L253 Y254 D259 Q260 Q261L253-Q257 PolarHBondContact O-N 2.83Å; L253-Q257 VanDerWaalsContact O-N 3.12Å; Y254-Q257 PolarHBondContact O-N 2.97Å; Y254-Q257 VanDerWaalsContact O-N 3.14Å; Q257-D259 PolarHBondContact O-N 2.91Å; Q257-Q260 PolarHBondContact O-N 2.82Å; Q257-Q261 WeakPolarHBondContact O-CB 3.43Å; Q257-Q261 PolarHBondContact O-N 2.87Å
258D35.2Very low33.8Very low97 Ų97126.8 Ų126.852%0.51963%0.632SS.*THydrogen-bonded Turntrans-65.8-23.3177-75.5-21000113Y254 N262Y254-D258 PolarHBondContact O-N 3.45Å; Y254-D258 VanDerWaalsContact O-N 3.14Å; D258-N262 PolarHBondContact O-ND2 3.36Å
259D35.4Very low33.1Very low137 Ų137124.2 Ų124.273%0.73364%0.642SS**THydrogen-bonded Turntrans-81.4-17.9174.2-77.8-16.9000113.4Q257Q257-D259 PolarHBondContact O-N 2.91Å
260Q34.6Very low32.5Very low158 Ų158132.4 Ų132.474%0.73867%0.668SS**THydrogen-bonded Turntrans-102.6-17.4178.2-73.4-171.1-18.200113.7Q257Q257-Q260 PolarHBondContact O-N 2.82Å
261Q32.7Very low31.8Very low142 Ų142135.3 Ų135.366%0.66469%0.689SS**G310 helixtrans-92.4-2.5-172.5-143.8151.44.100114.3Q257 Q263Q257-Q261 WeakPolarHBondContact O-CB 3.43Å; Q257-Q261 PolarHBondContact O-N 2.87Å; Q261-Q263 VanDerWaalsContact C-N 3.34Å
262N31.2Very low31.2Very low148 Ų148137.7 Ų137.779%0.79170%0.701SS**G310 helixtrans-9118.3174.8-74.8-41.1000114D258D258-N262 PolarHBondContact O-ND2 3.36Å
263Q30.7Very low30.7Very low179 Ų179135.1 Ų135.184%0.83670%0.702SS**G310 helixtrans-1327.8179.9-85-172.6-2.500116.1Q261Q261-Q263 VanDerWaalsContact C-N 3.34Å
264L28.8Very low30.5Very low156 Ų156138.4 Ų138.482%0.81771%0.714SS**  trans-118.1103.1176-99.886.1000112.2
265D30Very low29.9Very low154 Ų154138.1 Ų138.182%0.82473%0.725SS**  trans-59.3149165.6-83.1-39.3000111.9L267D265-L267 PolarHBondContact O-N 2.84Å
266P29.1Very low29.6Very low115 Ų115139.3 Ų139.375%0.74773%0.73SS**  trans-85.7112.8-172.133.5-30000110.7
267L29.9Very low29Very low174 Ų174140.3 Ų140.391%0.91174%0.74SS**  trans-108115.1163.8-127.288.7000110.7D265D265-L267 PolarHBondContact O-N 2.84Å
268N26.8Very low28.5Very low165 Ų165142.5 Ų142.588%0.88276%0.755SS**  trans-42.5142.1166.8-66.8-43.5000113.2
269G27.1Very low28Very low66 Ų66146.7 Ų146.768%0.6877%0.772SS**  trans162.789.6162.800000115.6
270Y26.3Very low27.3Very low220 Ų220148.6 Ų148.686%0.86378%0.781SS**  trans51.6113.2134.1-86.3-93.9000121.1
271T25.1Very low26.8Very low106 Ų106145.6 Ų145.665%0.6578%0.777SS**  72.3126.712753.10000122.7
272N25.1Very low26.5Very low135 Ų135146.3 Ų146.372%0.72278%0.784SS**  trans78.6120.6137.1-705.3000120.4
273D23.8Very low26.2Very low136 Ų136144.5 Ų144.573%0.72778%0.78SS**  trans44115.9131.6-63.6-21.9000118.8
274Q27.8Very low25.9Very low183 Ų183145.5 Ų145.586%0.85578%0.782SS**  trans159.6103.8131.7-88.1165.111.400107.6
275S24Very low25.6Very low85 Ų85142.5 Ų142.559%0.59477%0.774SS**  68.5126.393.181.90000113.6
276I24.1Very low25.4Very low137 Ų137142.4 Ų142.470%0.70377%0.772SS**  trans78.1100.6145.8-56157000115.7
277N25.8Very low25.2Very low148 Ų148147.8 Ų147.879%0.79178%0.779SS**  166131.3105.1-98.9-31000113.6Q279N277-Q279 PolarHBondContact O-N 2.88Å
278N24.2Very low24.9Very low151 Ų151144.3 Ų144.381%0.80777%0.769SS**  trans-48.2129.5154.5-66.7-39.4000110.1
279Q25.2Very low24.8Very low186 Ų186141.6 Ų141.687%0.86976%0.762SS**  trans-165.2112137.5-107.6166.229.900111.6N277 S281N277-Q279 PolarHBondContact O-N 2.88Å; Q279-S281 PolarHBondContact O-N 2.83Å
280L21.9Very low24.6Very low176 Ų176147.6 Ų147.692%0.92177%0.772SS**  trans-68.9106.6163.7-165.590.2000107.6
281S23.8Very low24.6Very low95 Ų95140.2 Ų140.266%0.66476%0.763SS**  trans-130.7111.3168.959.50000109.8Q279 P283Q279-S281 PolarHBondContact O-N 2.83Å; S281-P283 WeakPolarHBondContact O-CD 3.4Å
282I26.9Very low24.5Very low158 Ų158142.8 Ų142.881%0.8177%0.772SS**  trans-81.4129.8162.8-60.6166.9000106.9
283P24.7Very low24.6Very low109 Ų109141.9 Ų141.971%0.70878%0.776SS**  trans-116.4120.715610.211.7000111.4S281S281-P283 WeakPolarHBondContact O-CD 3.4Å
284K23.5Very low24.7Very low200 Ų200143.2 Ų143.287%0.8778%0.78SS**  trans-56.7127.5147.9-71.2168.1173.2173.40107.8
285S23.6Very low24.5Very low93 Ų93140.6 Ų140.665%0.6577%0.772SS**  trans170.7127142.448.90000114.3
286I25.6Very low24.7Very low152 Ų152144.9 Ų144.978%0.77979%0.787SS**  trans88.1105.4133-60.8163.8000118.3
287Y23.8Very low24.6Very low228 Ų228144.9 Ų144.989%0.89479%0.789SS**  trans-52.9136.6148.3-87.4-103.5000112.1
288S23.9Very low24.5Very low101 Ų101144.2 Ų144.271%0.70679%0.794SS**  trans-168115.3139.155.30000112.8
289C23.9Very low24.5Very low108 Ų108144 Ų14473%0.7379%0.788SS**  trans44.8119.7134.2-58.60000121.2
290H24.9Very low24.5Very low193 Ų193142.2 Ų142.289%0.89478%0.784SS**  147.2141.494.3-100.2-33.4000112.8
291G25.2Very low24.6Very low65 Ų65141.9 Ų141.967%0.6778%0.775SS**  trans117.481.3144.600000118.2
292N24Very low24.8Very low160 Ų160145.3 Ų145.386%0.85678%0.782SS**  trans33.4116.3138.5-58.8-10.2000120.1
293S25.5Very low24.6Very low115 Ų115143.1 Ų143.180%0.80477%0.773SS**  167.2133.598.951.70000113.5
294M27.1Very low24.8Very low164 Ų164144.4 Ų144.481%0.80878%0.781SS**  trans64.398.8151-75.2-74.4-178.200120.9
295D23.9Very low24.9Very low128 Ų128138.9 Ų138.968%0.68477%0.767SS**  53.8103.5124.9-68.2-9.6000120.8
296L26.7Very low25.1Very low175 Ų175142.8 Ų142.892%0.91677%0.769SS**  -163.4122.4107.1-133.681.6000111.9C298L296-C298 PolarHBondContact O-N 3.11Å
297N23.8Very low25.3Very low138 Ų138145.8 Ų145.874%0.73878%0.776SS**  trans-59.1121.7-177.9-79.3-50.2000114.9
298C23.6Very low25.6Very low133 Ų133143.2 Ų143.290%0.89977%0.765SS**  trans-150.884.3141.1-122.90000110.7L296 L300L296-C298 PolarHBondContact O-N 3.11Å; C298-L300 PolarHBondContact O-N 2.87Å
299H23.4Very low26Very low148 Ų148141.9 Ų141.969%0.68576%0.756SS**  trans-59.8112.3168.9-92.5-78.8000111
300L25.9Very low26.6Very low147 Ų147144.1 Ų144.177%0.7775%0.753SS**  trans-125.578.4149.3-116.1136.5000108.4C298 M302C298-L300 PolarHBondContact O-N 2.87Å; L300-M302 VanDerWaalsContact C-N 3.31Å; L300-M302 HydrophobicContact CD2-CE 4.37Å; L300-M302 PolarHBondContact O-N 3.12Å
301K24Very low27Very low169 Ų169139.3 Ų139.374%0.73574%0.737SS**  trans-56.297.8156.9-93178.3171.8173.80107.2N303K301-N303 PolarHBondContact O-N 3.03Å
302M26.2Very low27.4Very low167 Ų167138.9 Ų138.982%0.82372%0.724SS**  trans-70.685.8161.8-86.8-73.5-175.300107.8L300L300-M302 VanDerWaalsContact C-N 3.31Å; L300-M302 HydrophobicContact CD2-CE 4.37Å; L300-M302 PolarHBondContact O-N 3.12Å
303N23.7Very low28Very low113 Ų113133.9 Ų133.960%0.60470%0.702SS**  trans-62.4137.8170.2-120.2-14.5000109K301 S305K301-N303 PolarHBondContact O-N 3.03Å; N303-S305 PolarHBondContact O-N 2.97Å
304P28.1Very low28.6Very low136 Ų136132.6 Ų132.688%0.88368%0.682SS**THydrogen-bonded Turntrans-69.415.5-176.7-16.130.4000115.6
305S25.6Very low29.3Very low84 Ų84130.8 Ų130.859%0.58768%0.675SS**THydrogen-bonded Turntrans-102.35.8-160.344.80000116.4N303 K307N303-S305 PolarHBondContact O-N 2.97Å; S305-K307 VanDerWaalsContact C-N 3.3Å; S305-K307 PolarHBondContact O-N 3.32Å
306Y29.2Very low29.9Very low175 Ų175128.7 Ų128.769%0.68667%0.67SS**  trans-84.368.3179.3-112.5-106.6000113.5R308Y306-R308 HydrophobicContact CD1-CB 3.91Å; Y306-R308 HydrophobicContact CD1-CG 4.06Å; Y306-R308 HydrophobicContact CE1-CB 4.23Å; Y306-R308 HydrophobicContact CE1-CG 3.91Å; Y306-R308 PolarHBondContact O-N 2.85Å; Y306-R308 PolarHBondContact OH-NH1 2.91Å
307K29.6Very low30.4Very low214 Ų214122.3 Ų122.393%0.9364%0.64SS**  trans-69.560.3155.1-95.5-178.9173.61770109.6S305S305-K307 VanDerWaalsContact C-N 3.3Å; S305-K307 PolarHBondContact O-N 3.32Å
308R30.1Very low31.3Very low175 Ų175118.8 Ų118.866%0.6663%0.625SS**  trans-89.4126.6165.8-107.2-165.5-173.7147.8-3.2108.7Y306 F310Y306-R308 HydrophobicContact CD1-CB 3.91Å; Y306-R308 HydrophobicContact CD1-CG 4.06Å; Y306-R308 HydrophobicContact CE1-CB 4.23Å; Y306-R308 HydrophobicContact CE1-CG 3.91Å; Y306-R308 PolarHBondContact O-N 2.85Å; Y306-R308 PolarHBondContact OH-NH1 2.91Å; R308-F310 PolarHBondContact O-N 2.97Å
309S31.4Very low32.1Very low72 Ų72123.3 Ų123.350%0.50362%0.623SS.*  trans-53.6121.4-169.964.80000111.6T311 S312S309-T311 PolarHBondContact O-N 3.42Å; S309-S312 PolarHBondContact O-N 2.84Å; S309-S312 PolarHBondContact O-OG 3.12Å
310F35.8Very low32.7Very low156 Ų156121 Ų12168%0.68462%0.616SS**Hα-helixtrans-53.2-27.9-178.3-134.1-97000112.9R308 F314 F449R308-F310 PolarHBondContact O-N 2.97Å; F310-F314 PolarHBondContact O-N 2.88Å; F310-F449 HydrophobicContact CE1-CE1 4.33Å
311T34.4Very low33.4Very low91 Ų91122.5 Ų122.556%0.55862%0.616SS**Hα-helixtrans-66.6-36.5178.649.10000113.1S309 F314 L315S309-T311 PolarHBondContact O-N 3.42Å; T311-F314 PolarHBondContact O-N 3.31Å; T311-L315 PolarHBondContact O-N 3.34Å
312S32.9Very low33.9Very low56 Ų56117.6 Ų117.639%0.39260%0.604SS.*Hα-helixtrans-67.7-38.8-178.565.30000112.8S309 S316S309-S312 PolarHBondContact O-N 2.84Å; S309-S312 PolarHBondContact O-OG 3.12Å; S312-S316 WeakPolarHBondContact O-CB 3.36Å; S312-S316 PolarHBondContact O-N 3.25Å
313S37.5Very low34.4Very low56 Ų56111.9 Ų111.939%0.39257%0.573SS.*Hα-helixtrans-72.4-33.8177-65.40000112.5C317S313-C317 PolarHBondContact O-N 3.48Å; S313-C317 VanDerWaalsContact O-N 3.17Å
314F38.1Very low35.3Very low88 Ų88112.7 Ų112.739%0.38657%0.571SS.*Hα-helixtrans-70.8-45.3178.5-173.9-97.4000111.9F310 T311 S316 C317 C318 F449 I452F310-F314 PolarHBondContact O-N 2.88Å; T311-F314 PolarHBondContact O-N 3.31Å; F314-S316 VanDerWaalsContact C-N 3.34Å; F314-S316 PolarHBondContact O-N 3.45Å; F314-C317 PolarHBondContact O-N 2.92Å; F314-C318 PolarHBondContact O-N 3.41Å; F314-C318 VanDerWaalsContact O-N 3.1Å; F314-C318 PolarHBondContact O-SG 2.93Å; F314-F449 HydrophobicContact CD2-CE1 4.17Å; F314-F449 HydrophobicContact CE2-CE1 4.29Å; F314-F449 HydrophobicContact CE2-CZ 4.46Å; F314-I452 HydrophobicContact CD2-CD1 4.44Å; F314-I452 HydrophobicContact CE2-CD1 4.29Å
315L41.5Very low35.9Very low126 Ų126111.2 Ų111.266%0.6656%0.556SS**Hα-helixtrans-63.2-36.6175.2-94.9137.6000112.7T311 R319T311-L315 PolarHBondContact O-N 3.34Å; L315-R319 PolarHBondContact O-N 3.4Å
316S36Very low36.3Very low83 Ų83111.1 Ų111.158%0.5855%0.554SS**Hα-helixtrans-69.9-35.6176.2-157.50000112.5S312 F314 R319S312-S316 WeakPolarHBondContact O-CB 3.36Å; S312-S316 PolarHBondContact O-N 3.25Å; F314-S316 VanDerWaalsContact C-N 3.34Å; F314-S316 PolarHBondContact O-N 3.45Å; S316-R319 PolarHBondContact O-N 2.98Å
317C37.1Very low36.8Very low42 Ų42105.6 Ų105.628%0.28454%0.536SS..Hα-helixtrans-70.5-35.2176.2-99.20000113.3S313 F314 R319S313-C317 PolarHBondContact O-N 3.48Å; S313-C317 VanDerWaalsContact O-N 3.17Å; F314-C317 PolarHBondContact O-N 2.92Å; C317-R319 PolarHBondContact O-N 3.41Å
318C42.2Very low37.6Very low63 Ų6398.9 Ų98.943%0.42652%0.516SS..Hα-helixtrans-71.5-18.1178.3-650000113.2F314F314-C318 PolarHBondContact O-N 3.41Å; F314-C318 VanDerWaalsContact O-N 3.1Å; F314-C318 PolarHBondContact O-SG 2.93Å
319R40.9Very low37.9Very low228 Ų22897.5 Ų97.586%0.8651%0.511SS*.THydrogen-bonded Turntrans-83.7-16.6-176.7-150.3175.9-179.2-177.1-0.4113.1L315 S316 C317L315-R319 PolarHBondContact O-N 3.4Å; S316-R319 PolarHBondContact O-N 2.98Å; C317-R319 PolarHBondContact O-N 3.41Å
320D36.5Very low38.1Very low99 Ų9995.5 Ų95.553%0.52950%0.502SS..  trans-90114.9-176.9-115.1-21.3000110.9S322 Y323D320-S322 WeakPolarHBondContact CB-OG 3.47Å; D320-S322 PolarHBondContact O-N 2.86Å; D320-S322 VanDerWaalsContact O-N 3.13Å; D320-Y323 WeakPolarHBondContact O-CB 3.46Å; D320-Y323 PolarHBondContact O-N 3.38Å
321K40.1Very low38.3Very low179 Ų17991.5 Ų91.578%0.77849%0.488SS*.Hα-helixtrans-54.5-31174.9-83.1-178.4175.41780112.3Y323 F324 D325K321-Y323 PolarHBondContact O-N 3Å; K321-Y323 VanDerWaalsContact O-N 3.15Å; K321-F324 PolarHBondContact O-N 2.85Å; K321-D325 PolarHBondContact O-N 2.92Å; K321-D325 VanDerWaalsContact O-N 3.14Å
322S35.8Very low38.7Very low67 Ų6793.9 Ų93.947%0.46949%0.49SS..Hα-helixtrans-57.3-26.6175.961.20000113.2D320 C326D320-S322 WeakPolarHBondContact CB-OG 3.47Å; D320-S322 PolarHBondContact O-N 2.86Å; D320-S322 VanDerWaalsContact O-N 3.13Å; S322-C326 VanDerWaalsContact O-CB 3.27Å; S322-C326 WeakPolarHBondContact O-CB 3.35Å; S322-C326 PolarHBondContact O-N 3.46Å
323Y37Very low38.8Very low47 Ų4794.5 Ų94.518%0.18449%0.487CS..Hα-helixtrans-69.2-49.7-179.9177.8-100.6000112.5D320 K321 D325 C326 I327 I452D320-Y323 WeakPolarHBondContact O-CB 3.46Å; D320-Y323 PolarHBondContact O-N 3.38Å; K321-Y323 PolarHBondContact O-N 3Å; K321-Y323 VanDerWaalsContact O-N 3.15Å; Y323-D325 VanDerWaalsContact C-N 3.33Å; Y323-C326 PolarHBondContact O-N 3.32Å; Y323-I327 HydrophobicContact CD1-CD1 4.14Å; Y323-I327 HydrophobicContact CE1-CD1 3.57Å; Y323-I327 HydrophobicContact CE2-CD1 4.28Å; Y323-I327 PolarHBondContact O-N 2.97Å; Y323-I327 VanDerWaalsContact O-N 3.17Å; Y323-I452 HydrophobicContact CE2-CG1 4.13Å; Y323-I452 WeakPolarHBondContact OH-CG1 3.47Å
324F42.6Very low38.8Very low129 Ų12993 Ų9357%0.56648%0.476SS*.Hα-helixtrans-67.8-37.5175.7-82.6-81.8000111K321 C326 I327 C328K321-F324 PolarHBondContact O-N 2.85Å; F324-C326 VanDerWaalsContact C-N 3.3Å; F324-C326 PolarHBondContact O-N 3.07Å; F324-I327 PolarHBondContact O-N 2.99Å; F324-C328 VanDerWaalsContact O-CB 3.27Å; F324-C328 WeakPolarHBondContact O-CB 3.29Å; F324-C328 PolarHBondContact O-N 2.83Å; F324-C328 PolarHBondContact O-SG 2.94Å; F324-C328 VanDerWaalsContact O-SG 3.33Å
325D39.3Very low38.8Very low106 Ų10691.9 Ų91.957%0.56748%0.478SS*.Hα-helixtrans-61.6-38.6173.6-74.9-24.9000111.4K321 Y323 C328 Y329K321-D325 PolarHBondContact O-N 2.92Å; K321-D325 VanDerWaalsContact O-N 3.14Å; Y323-D325 VanDerWaalsContact C-N 3.33Å; D325-C328 PolarHBondContact O-N 2.88Å; D325-Y329 WeakPolarHBondContact O-CA 3.35Å; D325-Y329 WeakPolarHBondContact O-CB 3.33Å; D325-Y329 PolarHBondContact O-N 3.42Å
326C35Very low38.6Very low81 Ų8192.5 Ų92.555%0.54748%0.476SS..Hα-helixtrans-70.1-37.2179.2-150.40000112.9S322 Y323 F324 G330S322-C326 VanDerWaalsContact O-CB 3.27Å; S322-C326 WeakPolarHBondContact O-CB 3.35Å; S322-C326 PolarHBondContact O-N 3.46Å; Y323-C326 PolarHBondContact O-N 3.32Å; F324-C326 VanDerWaalsContact C-N 3.3Å; F324-C326 PolarHBondContact O-N 3.07Å; C326-G330 PolarHBondContact O-N 3.36Å
327I39.5Very low38.6Very low60 Ų6091.4 Ų91.431%0.30846%0.464SS..Hα-helixtrans-67.5-46.5173.5-65.9171.5000110.5Y323 F324 G330 L331Y323-I327 HydrophobicContact CD1-CD1 4.14Å; Y323-I327 HydrophobicContact CE1-CD1 3.57Å; Y323-I327 HydrophobicContact CE2-CD1 4.28Å; Y323-I327 PolarHBondContact O-N 2.97Å; Y323-I327 VanDerWaalsContact O-N 3.17Å; F324-I327 PolarHBondContact O-N 2.99Å; I327-G330 PolarHBondContact O-N 3.38Å; I327-L331 HydrophobicContact CG2-CD1 4.34Å; I327-L331 WeakPolarHBondContact O-CG 3.48Å; I327-L331 PolarHBondContact O-N 2.73Å
328C45.6Very low38.6Very low73 Ų7393 Ų9349%0.49347%0.467SS..Hα-helixtrans-65.8-37.3176.6-73.40000112.2F324 D325 L331 K332F324-C328 VanDerWaalsContact O-CB 3.27Å; F324-C328 WeakPolarHBondContact O-CB 3.29Å; F324-C328 PolarHBondContact O-N 2.83Å; F324-C328 PolarHBondContact O-SG 2.94Å; F324-C328 VanDerWaalsContact O-SG 3.33Å; D325-C328 PolarHBondContact O-N 2.88Å; C328-L331 PolarHBondContact O-N 3.02Å; C328-K332 VanDerWaalsContact O-CB 3.29Å; C328-K332 WeakPolarHBondContact O-CB 3.49Å; C328-K332 PolarHBondContact O-N 3.49Å
329Y37.7Very low38.1Very low145 Ų14594 Ų9457%0.56947%0.473SS*.Hα-helixtrans-68.8-41.2175.6-166-93000110.5D325 L331 K332 Q333D325-Y329 WeakPolarHBondContact O-CA 3.35Å; D325-Y329 WeakPolarHBondContact O-CB 3.33Å; D325-Y329 PolarHBondContact O-N 3.42Å; Y329-L331 VanDerWaalsContact C-N 3.29Å; Y329-L331 PolarHBondContact O-N 2.76Å; Y329-K332 PolarHBondContact O-N 3.35Å; Y329-K332 VanDerWaalsContact O-N 3.1Å; Y329-Q333 HydrophobicContact CE1-CG 4.37Å; Y329-Q333 VanDerWaalsContact O-CB 3.24Å; Y329-Q333 WeakPolarHBondContact O-CB 3.39Å; Y329-Q333 PolarHBondContact O-N 3.31Å; Y329-Q333 PolarHBondContact OH-OE1 3.36Å; Y329-Q333 VanDerWaalsContact OH-OE1 3.05Å
330G35.1Very low37.8Very low31 Ų3190.3 Ų90.332%0.3246%0.464SS..Hα-helixtrans-58.6-38171.100000113.1C326 I327 T334C326-G330 PolarHBondContact O-N 3.36Å; I327-G330 PolarHBondContact O-N 3.38Å; G330-T334 WeakPolarHBondContact O-CG2 3.49Å; G330-T334 PolarHBondContact O-OG1 2.81Å
331L39.7Very low37.8Very low71 Ų7191.3 Ų91.337%0.37247%0.465SS..Hα-helixtrans-73.9-29173.7-72.6166000113.4I327 C328 Y329 T334I327-L331 HydrophobicContact CG2-CD1 4.34Å; I327-L331 WeakPolarHBondContact O-CG 3.48Å; I327-L331 PolarHBondContact O-N 2.73Å; C328-L331 PolarHBondContact O-N 3.02Å; Y329-L331 VanDerWaalsContact C-N 3.29Å; Y329-L331 PolarHBondContact O-N 2.76Å; L331-T334 PolarHBondContact O-OG1 3.31Å; L331-T334 VanDerWaalsContact O-OG1 3.06Å
332K42.3Very low37.5Very low141 Ų14188.5 Ų88.561%0.61346%0.458SS*.Hα-helixtrans-85.9-37.4-177.7-163.8174.1-175.3177.80112.6C328 Y329 S335C328-K332 VanDerWaalsContact O-CB 3.29Å; C328-K332 WeakPolarHBondContact O-CB 3.49Å; C328-K332 PolarHBondContact O-N 3.49Å; Y329-K332 PolarHBondContact O-N 3.35Å; Y329-K332 VanDerWaalsContact O-N 3.1Å; K332-S335 PolarHBondContact O-N 3.48Å; K332-S335 PolarHBondContact O-OG 3.38Å
333Q35.5Very low37.4Very low70 Ų7092.1 Ų92.133%0.32747%0.472SS..Hα-helixtrans-68-37.2-176.5-158.982.81000112.1Y329 S335 K336 D337Y329-Q333 HydrophobicContact CE1-CG 4.37Å; Y329-Q333 VanDerWaalsContact O-CB 3.24Å; Y329-Q333 WeakPolarHBondContact O-CB 3.39Å; Y329-Q333 PolarHBondContact O-N 3.31Å; Y329-Q333 PolarHBondContact OH-OE1 3.36Å; Y329-Q333 VanDerWaalsContact OH-OE1 3.05Å; Q333-S335 VanDerWaalsContact C-N 3.28Å; Q333-S335 PolarHBondContact O-N 3.44Å; Q333-K336 PolarHBondContact O-N 2.82Å; Q333-D337 WeakPolarHBondContact CG-OD2 3.44Å; Q333-D337 PolarHBondContact NE2-OD2 3.18Å; Q333-D337 PolarHBondContact O-N 3.08Å; Q333-D337 VanDerWaalsContact O-N 3.1Å
334T38Very low37.2Very low25 Ų2595 Ų9515%0.15350%0.495CS..Hα-helixtrans-59.1-37.917845.80000112.7G330 L331 K336 T489G330-T334 WeakPolarHBondContact O-CG2 3.49Å; G330-T334 PolarHBondContact O-OG1 2.81Å; L331-T334 PolarHBondContact O-OG1 3.31Å; L331-T334 VanDerWaalsContact O-OG1 3.06Å; T334-K336 PolarHBondContact O-N 3.05Å; T334-T489 HydrophobicContact CG2-CG2 3.25Å
335S38Very low36.6Very low63 Ų6396.5 Ų96.544%0.44150%0.501SS..Hα-helixtrans-67.2-33.4-18074.60000113.8K332 Q333K332-S335 PolarHBondContact O-N 3.48Å; K332-S335 PolarHBondContact O-OG 3.38Å; Q333-S335 VanDerWaalsContact C-N 3.28Å; Q333-S335 PolarHBondContact O-N 3.44Å
336K37.2Very low36.2Very low139 Ų13998.6 Ų98.660%0.60451%0.512SS*.Hα-helixtrans-94.2-39.2-173.3-75.6-172.3176.1-173.80113.5Q333 T334 K340Q333-K336 PolarHBondContact O-N 2.82Å; T334-K336 PolarHBondContact O-N 3.05Å; K336-K340 PolarHBondContact O-N 3.47Å
337D36.4Very low36Very low61 Ų61103.3 Ų103.333%0.32652%0.519SS..Hα-helixtrans-84.4-26.3-170.1-74.5-21.5000113.5Q333 C339 K340 Q341Q333-D337 WeakPolarHBondContact CG-OD2 3.44Å; Q333-D337 PolarHBondContact NE2-OD2 3.18Å; Q333-D337 PolarHBondContact O-N 3.08Å; Q333-D337 VanDerWaalsContact O-N 3.1Å; D337-C339 VanDerWaalsContact C-N 3.32Å; D337-K340 PolarHBondContact O-N 2.92Å; D337-Q341 PolarHBondContact O-N 2.88Å
338Q36.5Very low35.6Very low74 Ų74109.9 Ų109.935%0.34654%0.542SS..Hα-helixtrans-70.4-31171.1-72.1179.7-2300112.2K340 Q341 L342Q338-K340 VanDerWaalsContact C-N 3.27Å; Q338-K340 PolarHBondContact O-N 3.17Å; Q338-Q341 PolarHBondContact O-N 3.1Å; Q338-L342 PolarHBondContact O-N 3.23Å
339C31.7Very low34.9Very low84 Ų84110.9 Ų110.957%0.56855%0.546SS*.Hα-helixtrans-67.8-28.5174.3-142.30000112D337D337-C339 VanDerWaalsContact C-N 3.32Å
340K33.8Very low34.5Very low152 Ų152109.9 Ų109.966%0.66156%0.555SS**Hα-helixtrans-79.3-33.7175.9-75.5-178.6176.2179.40113.4K336 D337 Q338 L342 N343K336-K340 PolarHBondContact O-N 3.47Å; D337-K340 PolarHBondContact O-N 2.92Å; Q338-K340 VanDerWaalsContact C-N 3.27Å; Q338-K340 PolarHBondContact O-N 3.17Å; K340-L342 VanDerWaalsContact C-N 3.33Å; K340-N343 PolarHBondContact O-N 3.39Å
341Q36.2Very low34.3Very low119 Ų119113 Ų11356%0.55657%0.571SS**Hα-helixtrans-71.5-26.7177.6-76.8-175.5-30.300113.2D337 Q338 N343 V344D337-Q341 PolarHBondContact O-N 2.88Å; Q338-Q341 PolarHBondContact O-N 3.1Å; Q341-N343 VanDerWaalsContact C-N 3.33Å; Q341-V344 PolarHBondContact O-N 3.08Å
342L34.4Very low33.8Very low120 Ų120114 Ų11463%0.62858%0.584SS**THydrogen-bonded Turntrans-78.6-11.7176-79.8158.8000114.3Q338 K340Q338-L342 PolarHBondContact O-N 3.23Å; K340-L342 VanDerWaalsContact C-N 3.33Å
343N33.4Very low33.6Very low144 Ų144116.6 Ų116.677%0.7760%0.596SS**THydrogen-bonded Turntrans-90.42.1173.3-107-2.7000113.3K340 Q341 K345K340-N343 PolarHBondContact O-N 3.39Å; Q341-N343 VanDerWaalsContact C-N 3.33Å; N343-K345 PolarHBondContact O-N 3.41Å
344V33.3Very low33.6Very low108 Ų108120.4 Ų120.466%0.65562%0.618SS**SBendtrans-81.4102.8173.1-175.30000107.7Q341Q341-V344 PolarHBondContact O-N 3.08Å
345K30.1Very low33.6Very low159 Ų159123.9 Ų123.969%0.69164%0.635SS**  trans-33.4138.4177-71.4177.6176-179.30113.2N343 Y347N343-K345 PolarHBondContact O-N 3.41Å; K345-Y347 HydrophobicContact CB-CD2 3.6Å; K345-Y347 HydrophobicContact CB-CE2 3.68Å; K345-Y347 HydrophobicContact CD-CE2 3.88Å; K345-Y347 HydrophobicContact CG-CE2 4.44Å; K345-Y347 PolarHBondContact O-N 3.3Å
346N31.6Very low33.9Very low151 Ų151126.6 Ų126.681%0.80765%0.645SS**SBendtrans-45.447.7175-74.1-29000117.6
347Y29.5Very low34.1Very low179 Ų179124 Ų12470%0.70264%0.644SS**THydrogen-bonded Turntrans-88.51.6-174.9-85.5-78.5000115.5K345K345-Y347 HydrophobicContact CB-CD2 3.6Å; K345-Y347 HydrophobicContact CB-CE2 3.68Å; K345-Y347 HydrophobicContact CD-CE2 3.88Å; K345-Y347 HydrophobicContact CG-CE2 4.44Å; K345-Y347 PolarHBondContact O-N 3.3Å
348Y31.6Very low34Very low198 Ų198127.1 Ų127.178%0.77666%0.66SS**THydrogen-bonded Turntrans-96.53.3-178.4-80.7-79.9000114.9
349V31.5Very low33.9Very low95 Ų95128.3 Ų128.358%0.57666%0.662SS**SBendtrans-96.11.4-171.1-176.40000113.5
350T28.8Very low34.1Very low124 Ų124127.1 Ų127.176%0.76165%0.653SS**  trans-129.172.2-179.1510000111.5
351S30.2Very low34.3Very low95 Ų95125.2 Ų125.266%0.66464%0.644SS**  trans-162.6126.3155-177.90000111.2
352S29.8Very low34.3Very low92 Ų92124.2 Ų124.264%0.64364%0.643SS**  trans-78.3143.3-165.646.60000114.6D354S352-D354 PolarHBondContact O-N 3.46Å; S352-D354 VanDerWaalsContact O-N 3.08Å
353K37.5Very low34.3Very low196 Ų196120.1 Ų120.185%0.85262%0.621SS**SBendtrans74-29.1148.7-67.3177.8177.9179.80120.8
354D35.5Very low34.4Very low150 Ų150117.6 Ų117.680%0.80261%0.607SS**SBendtrans-1032.5-172.3-67.7-23.7000116.4S352S352-D354 PolarHBondContact O-N 3.46Å; S352-D354 VanDerWaalsContact O-N 3.08Å
355I39.2Very low34.5Very low99 Ų99115.7 Ų115.751%0.50859%0.593SS.*  trans-90.1-3.5-173.9-64.4171000112.3S357 Y359I355-S357 PolarHBondContact O-N 2.86Å; I355-Y359 HydrophobicContact CG2-CD2 4.28Å; I355-Y359 HydrophobicContact CG2-CG 4.11Å; I355-Y359 WeakPolarHBondContact O-CB 3.2Å; I355-Y359 PolarHBondContact O-N 3.37Å
356N43.6Very low34.7Very low120 Ų120112.2 Ų112.264%0.64258%0.582SS**Hα-helixtrans-73.3-35.7-162.2-136.49.2000114.8T360N356-T360 WeakPolarHBondContact O-CB 3.28Å; N356-T360 WeakPolarHBondContact O-CG2 3.28Å; N356-T360 PolarHBondContact O-N 2.93Å; N356-T360 PolarHBondContact O-OG1 3.43Å
357S41Very low34.8Very low83 Ų83107.5 Ų107.558%0.5856%0.561SS**Hα-helixtrans-81.2-44.1-174.962.90000113.8I355 T360 K361I355-S357 PolarHBondContact O-N 2.86Å; S357-T360 WeakPolarHBondContact CA-OG1 3.42Å; S357-T360 PolarHBondContact O-OG1 3.4Å; S357-K361 VanDerWaalsContact O-CB 3.28Å; S357-K361 WeakPolarHBondContact O-CB 3.25Å; S357-K361 PolarHBondContact O-N 2.92Å
358N35Very low35.1Very low127 Ų127104 Ų10468%0.67955%0.551SS**Hα-helixtrans-72.8-33.1177.3-79.4-21.9000111.8L362N358-L362 WeakPolarHBondContact O-CB 3.32Å; N358-L362 PolarHBondContact O-N 3.5Å
359Y33.7Very low35.2Very low99 Ų9999 Ų9939%0.38853%0.53SS..Hα-helixtrans-73.8-38.5175.7-163-105.7000111.6Y158 I355 L362 L363Y158-Y359 HydrophobicContact CD1-CE1 4.5Å; I355-Y359 HydrophobicContact CG2-CD2 4.28Å; I355-Y359 HydrophobicContact CG2-CG 4.11Å; I355-Y359 WeakPolarHBondContact O-CB 3.2Å; I355-Y359 PolarHBondContact O-N 3.37Å; Y359-L362 PolarHBondContact O-N 3.3Å; Y359-L363 HydrophobicContact CD1-CD1 3.32Å; Y359-L363 HydrophobicContact CD2-CD1 4.24Å; Y359-L363 HydrophobicContact CE1-CD1 3.13Å; Y359-L363 HydrophobicContact CE2-CD1 4.1Å; Y359-L363 HydrophobicContact CG-CD1 3.88Å; Y359-L363 VanDerWaalsContact O-CB 3.29Å; Y359-L363 WeakPolarHBondContact O-CB 3.38Å; Y359-L363 WeakPolarHBondContact O-CD1 3.47Å; Y359-L363 PolarHBondContact O-N 3.11Å
360T37.5Very low35.7Very low59 Ų5998.7 Ų98.736%0.36253%0.526SS..Hα-helixtrans-67.9-35.5171.9490000112.7N356 S357 L363 N364N356-T360 WeakPolarHBondContact O-CB 3.28Å; N356-T360 WeakPolarHBondContact O-CG2 3.28Å; N356-T360 PolarHBondContact O-N 2.93Å; N356-T360 PolarHBondContact O-OG1 3.43Å; S357-T360 WeakPolarHBondContact CA-OG1 3.42Å; S357-T360 PolarHBondContact O-OG1 3.4Å; T360-L363 PolarHBondContact O-N 2.9Å; T360-N364 VanDerWaalsContact O-CB 3.26Å; T360-N364 WeakPolarHBondContact O-CB 3.23Å; T360-N364 PolarHBondContact O-N 3.34Å
361K38.1Very low36.6Very low112 Ų11295.2 Ų95.249%0.48750%0.501SS..Hα-helixtrans-67.9-43.4174.3-151.6173.2-170.5178.30111.4S357 N364 D365S357-K361 VanDerWaalsContact O-CB 3.28Å; S357-K361 WeakPolarHBondContact O-CB 3.25Å; S357-K361 PolarHBondContact O-N 2.92Å; K361-N364 PolarHBondContact O-N 3.38Å; K361-D365 WeakPolarHBondContact O-CB 3.29Å; K361-D365 PolarHBondContact O-N 3Å
362L35.9Very low37.5Very low99 Ų9991.3 Ų91.352%0.51847%0.473SS..Hα-helixtrans-66.3-35.8174.2-163.4120.4000111.9N358 Y359 L366N358-L362 WeakPolarHBondContact O-CB 3.32Å; N358-L362 PolarHBondContact O-N 3.5Å; Y359-L362 PolarHBondContact O-N 3.3Å; L362-L366 HydrophobicContact CD2-CD1 3.61Å; L362-L366 HydrophobicContact CG-CD1 4.18Å; L362-L366 VanDerWaalsContact O-CB 3.25Å; L362-L366 WeakPolarHBondContact O-CB 3.32Å; L362-L366 VanDerWaalsContact O-CD1 3.32Å; L362-L366 WeakPolarHBondContact O-CD1 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.32Å; L362-L366 PolarHBondContact O-N 3.48Å
363L33.4Very low38.5Very low33 Ų3387.7 Ų87.717%0.17345%0.45CS..Hα-helixtrans-71.2-35.6171.7-101.397.4000112.8I161 Y359 T360 L366 S367I161-L363 HydrophobicContact CB-CD2 4.42Å; I161-L363 HydrophobicContact CD1-CD2 3.59Å; I161-L363 HydrophobicContact CG1-CD2 4.11Å; Y359-L363 HydrophobicContact CD1-CD1 3.32Å; Y359-L363 HydrophobicContact CD2-CD1 4.24Å; Y359-L363 HydrophobicContact CE1-CD1 3.13Å; Y359-L363 HydrophobicContact CE2-CD1 4.1Å; Y359-L363 HydrophobicContact CG-CD1 3.88Å; Y359-L363 VanDerWaalsContact O-CB 3.29Å; Y359-L363 WeakPolarHBondContact O-CB 3.38Å; Y359-L363 WeakPolarHBondContact O-CD1 3.47Å; Y359-L363 PolarHBondContact O-N 3.11Å; T360-L363 PolarHBondContact O-N 2.9Å; L363-L366 CarbonylContact O-C 3.59Å; L363-L366 PolarHBondContact O-N 2.91Å; L363-S367 WeakPolarHBondContact O-CA 3.5Å; L363-S367 WeakPolarHBondContact O-CB 3.33Å; L363-S367 PolarHBondContact O-N 2.89Å; L363-S367 PolarHBondContact O-OG 3.45Å
364N35.7Very low39.3Very low91 Ų9180.6 Ų80.649%0.48742%0.422SS..Hα-helixtrans-67.3-43.1174.1-87.1-8.5000110.1T360 K361 S367 H368T360-N364 VanDerWaalsContact O-CB 3.26Å; T360-N364 WeakPolarHBondContact O-CB 3.23Å; T360-N364 PolarHBondContact O-N 3.34Å; K361-N364 PolarHBondContact O-N 3.38Å; N364-S367 VanDerWaalsContact CA-OG 3.32Å; N364-S367 WeakPolarHBondContact CA-OG 3.43Å; N364-S367 PolarHBondContact O-N 3.27Å; N364-S367 PolarHBondContact O-OG 3.28Å; N364-H368 WeakPolarHBondContact O-CB 3.14Å; N364-H368 PolarHBondContact O-CD2 2.96Å; N364-H368 PolarHBondContact O-N 3.15Å
365D35.8Very low40.2Very low68 Ų6877.2 Ų77.236%0.36440%0.404SS..Hα-helixtrans-62.5-46.7171.8-74.6-22.8000110.6K361 S367 H368 W369K361-D365 WeakPolarHBondContact O-CB 3.29Å; K361-D365 PolarHBondContact O-N 3Å; D365-S367 VanDerWaalsContact C-N 3.33Å; D365-S367 PolarHBondContact O-N 2.84Å; D365-H368 PolarHBondContact O-N 3.13Å; D365-W369 PolarHBondContact O-N 3.43Å
366L33.4Very low41Very low86 Ų8676.4 Ų76.445%0.4540%0.398SS..Hα-helixtrans-63.8-34.6174.7-83.2153.9000112.9L362 L363 W369 N370L362-L366 HydrophobicContact CD2-CD1 3.61Å; L362-L366 HydrophobicContact CG-CD1 4.18Å; L362-L366 VanDerWaalsContact O-CB 3.25Å; L362-L366 WeakPolarHBondContact O-CB 3.32Å; L362-L366 VanDerWaalsContact O-CD1 3.32Å; L362-L366 WeakPolarHBondContact O-CD1 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.32Å; L362-L366 PolarHBondContact O-N 3.48Å; L363-L366 CarbonylContact O-C 3.59Å; L363-L366 PolarHBondContact O-N 2.91Å; L366-W369 PolarHBondContact O-N 3.16Å; L366-N370 VanDerWaalsContact O-CB 3.31Å; L366-N370 WeakPolarHBondContact O-CB 3.19Å; L366-N370 PolarHBondContact O-ND2 3.48Å
367S34.1Very low41.8Very low52 Ų5276.8 Ų76.836%0.36440%0.398SS..Hα-helixtrans-71.4-32.917772.10000112L363 N364 D365 W369L363-S367 WeakPolarHBondContact O-CA 3.5Å; L363-S367 WeakPolarHBondContact O-CB 3.33Å; L363-S367 PolarHBondContact O-N 2.89Å; L363-S367 PolarHBondContact O-OG 3.45Å; N364-S367 VanDerWaalsContact CA-OG 3.32Å; N364-S367 WeakPolarHBondContact CA-OG 3.43Å; N364-S367 PolarHBondContact O-N 3.27Å; N364-S367 PolarHBondContact O-OG 3.28Å; D365-S367 VanDerWaalsContact C-N 3.33Å; D365-S367 PolarHBondContact O-N 2.84Å; S367-W369 PolarHBondContact O-N 3.42Å
368H36.2Very low42.7Very low105 Ų10573.6 Ų73.649%0.48638%0.379SS..Hα-helixtrans-68.6-23.4173.1-95-62.3000112.8N364 D365N364-H368 WeakPolarHBondContact O-CB 3.14Å; N364-H368 PolarHBondContact O-CD2 2.96Å; N364-H368 PolarHBondContact O-N 3.15Å; D365-H368 PolarHBondContact O-N 3.13Å
369W34.1Very low44Very low93 Ų9367.6 Ų67.635%0.35235%0.347SS..Hα-helixtrans-90.1-11.8-176.6-73.746.7000114.1I247 D365 L366 S367 Q488I247-W369 HydrophobicContact CD1-CE3 4.5Å; I247-W369 HydrophobicContact CD1-CH2 3.88Å; I247-W369 HydrophobicContact CD1-CZ2 3.89Å; I247-W369 HydrophobicContact CD1-CZ3 4.19Å; I247-W369 HydrophobicContact CG1-CZ2 4.13Å; D365-W369 PolarHBondContact O-N 3.43Å; L366-W369 PolarHBondContact O-N 3.16Å; S367-W369 PolarHBondContact O-N 3.42Å; W369-Q488 VanDerWaalsContact CZ3-NE2 3.3Å
370N40.7Very low45.5Very low90 Ų9065.9 Ų65.948%0.48134%0.344SS..SBendtrans-109.3-1.3-154.9-84.5-22.6000118L366L366-N370 VanDerWaalsContact O-CB 3.31Å; L366-N370 WeakPolarHBondContact O-CB 3.19Å; L366-N370 PolarHBondContact O-ND2 3.48Å
371E49Very low47.1Very low51 Ų5166.4 Ų66.424%0.23835%0.347CS..  trans-132.646.6-178.3-75.5151.6-17800113.5Y165 G373Y165-E371 VanDerWaalsContact CB-OE1 3.24Å; Y165-E371 WeakPolarHBondContact CB-OE1 3.3Å; Y165-E371 WeakPolarHBondContact CB-OE2 3.46Å; Y165-E371 WeakPolarHBondContact CD2-OE2 3.45Å; Y165-E371 VanDerWaalsContact CG-OE2 3.31Å; Y165-E371 WeakPolarHBondContact O-CG 3.43Å; E371-G373 PolarHBondContact O-N 3Å
372C48.7Very low48.6Very low12 Ų1263.7 Ų63.78%0.08134%0.337CS..  trans-70.988.5-179.8-55.50000111.9R236 G239 N243R236-C372 PolarHBondContact NH1-O 3.07Å; G239-C372 WeakPolarHBondContact O-CB 3.37Å; N243-C372 HydrophobicContact CB-CB 4.45Å; N243-C372 WeakPolarHBondContact CB-SG 3.2Å; N243-C372 PolarHBondContact ND2-SG 3.36Å
373G51.6Low50.2Low16 Ų1660 Ų6017%0.16532%0.317CS..SBendtrans-173.3173.617200000109.6E371 N375E371-G373 PolarHBondContact O-N 3Å; G373-N375 PolarHBondContact O-N 3.28Å
374L52.5Low52.1Low48 Ų4861.3 Ų61.325%0.25133%0.329SS..  trans-61.7132.1163.4-76.9112.7000107.7A168 D235 L382A168-L374 WeakPolarHBondContact CB-O 3.46Å; D235-L374 WeakPolarHBondContact OD1-CA 3.33Å; D235-L374 WeakPolarHBondContact OD1-CB 3.48Å; D235-L374 WeakPolarHBondContact OD1-CD1 2.93Å; D235-L374 PolarHBondContact OD1-N 3.48Å; L374-L382 HydrophobicContact CD1-CD1 3.61Å; L374-L382 HydrophobicContact CD2-CD1 4.5Å
375N54.7Low54Low78 Ų7860.9 Ų60.942%0.41733%0.326SS..BIsolated β-bridgetrans-50.7159.2172.3-68.2-12.6000110.2Y165 G373 I377 G378 G379Y165-N375 VanDerWaalsContact CE1-ND2 3.33Å; Y165-N375 WeakPolarHBondContact CE1-ND2 3.48Å; G373-N375 PolarHBondContact O-N 3.28Å; N375-I377 CarbonylContact O-C 3.55Å; N375-I377 PolarHBondContact O-N 3.21Å; N375-G378 PolarHBondContact O-N 3.03Å; N375-G379 PolarHBondContact O-N 2.94Å
376H57.3Low55.8Low83 Ų8358.4 Ų58.438%0.38431%0.313SS..Hα-helixtrans-37.4-44-178.1-175.8-92.6000114.6S171 L380S171-H376 PolarHBondContact OG-CD2 2.84Å; S171-H376 PolarHBondContact OG-NE2 3.02Å; S171-H376 VanDerWaalsContact OG-NE2 3.07Å; H376-L380 WeakPolarHBondContact CE1-CD1 3.07Å; H376-L380 PolarHBondContact O-N 3.03Å
377I60.5Low57.5Low127 Ų12755.6 Ų55.665%0.65130%0.3SS*.Hα-helixtrans-63.2-46.2178.4-59.9166.8000112N375 G379 L380 V381N375-I377 CarbonylContact O-C 3.55Å; N375-I377 PolarHBondContact O-N 3.21Å; I377-G379 PolarHBondContact O-N 3.41Å; I377-L380 PolarHBondContact O-N 3.31Å; I377-V381 HydrophobicContact CG2-CG2 4.31Å; I377-V381 VanDerWaalsContact O-CG2 3.29Å; I377-V381 WeakPolarHBondContact O-CG2 3.33Å; I377-V381 PolarHBondContact O-N 2.84Å
378G59.3Low59.5Low17 Ų1756 Ų5618%0.17530%0.303CS..Hα-helixtrans-67-36.1-177.300000113.1N375 V381 L382N375-G378 PolarHBondContact O-N 3.03Å; G378-V381 PolarHBondContact O-N 3.37Å; G378-L382 WeakPolarHBondContact O-CG 3.25Å; G378-L382 PolarHBondContact O-N 3.16Å
379G62.7Low61.3Low1 Ų154.5 Ų54.51%0.0130%0.297CS..Hα-helixtrans-66.5-40.5172.500000112.9N375 I377 L382 F383N375-G379 PolarHBondContact O-N 2.94Å; I377-G379 PolarHBondContact O-N 3.41Å; G379-L382 PolarHBondContact O-N 3.22Å; G379-F383 WeakPolarHBondContact O-CB 3.14Å; G379-F383 PolarHBondContact O-N 3.46Å
380L63.4Low63.1Low63 Ų6350.2 Ų50.233%0.3328%0.281SS..Hα-helixtrans-65-39.6174-74.5176.4000112.4H376 I377 F383 S384H376-L380 WeakPolarHBondContact CE1-CD1 3.07Å; H376-L380 PolarHBondContact O-N 3.03Å; I377-L380 PolarHBondContact O-N 3.31Å; L380-F383 PolarHBondContact O-N 3.39Å; L380-S384 WeakPolarHBondContact O-CB 3.37Å; L380-S384 PolarHBondContact O-N 3.17Å
381V71.2Confident64.5Low69 Ų6948 Ų4842%0.41827%0.273SS..Hα-helixtrans-62.6-48.7175.4170.60000110.1I377 G378 F383 S384 I385I377-V381 HydrophobicContact CG2-CG2 4.31Å; I377-V381 VanDerWaalsContact O-CG2 3.29Å; I377-V381 WeakPolarHBondContact O-CG2 3.33Å; I377-V381 PolarHBondContact O-N 2.84Å; G378-V381 PolarHBondContact O-N 3.37Å; V381-F383 VanDerWaalsContact C-N 3.3Å; V381-F383 PolarHBondContact O-N 3.45Å; V381-S384 PolarHBondContact O-N 2.97Å; V381-S384 VanDerWaalsContact O-N 3.13Å; V381-S384 PolarHBondContact O-OG 3.5Å; V381-I385 HydrophobicContact CG1-CD1 3.74Å; V381-I385 HydrophobicContact CG1-CG1 4.41Å; V381-I385 VanDerWaalsContact O-CG1 3.3Å; V381-I385 WeakPolarHBondContact O-CG1 3.48Å; V381-I385 PolarHBondContact O-N 3.23Å
382L69.6Low65.6Low55 Ų5550.3 Ų50.329%0.28829%0.286SS..Hα-helixtrans-59.4-42.1176.2-75.9174.9000112.2L231 L374 G378 G379 I385 V386L231-L382 HydrophobicContact CD2-CB 4.3Å; L374-L382 HydrophobicContact CD1-CD1 3.61Å; L374-L382 HydrophobicContact CD2-CD1 4.5Å; G378-L382 WeakPolarHBondContact O-CG 3.25Å; G378-L382 PolarHBondContact O-N 3.16Å; G379-L382 PolarHBondContact O-N 3.22Å; L382-I385 PolarHBondContact O-N 3.46Å; L382-V386 WeakPolarHBondContact O-CG2 3.32Å; L382-V386 PolarHBondContact O-N 3.02Å
383F70.4Confident66.5Low23 Ų2351.4 Ų51.410%0.10129%0.291CS..Hα-helixtrans-59.8-45.6174.5173.5-108000111.8L172 F179 I224 L228 G379 L380 V381 I385 V386 T387L172-F383 HydrophobicContact CD2-CB 4.06Å; F179-F383 HydrophobicContact CD2-CE2 4.31Å; F179-F383 HydrophobicContact CD2-CZ 4.23Å; F179-F383 HydrophobicContact CE2-CE1 4.26Å; F179-F383 AromaticContact CE2-CE2 3.73Å; F179-F383 HydrophobicContact CE2-CE2 3.73Å; F179-F383 AromaticContact CE2-CZ 3.24Å; F179-F383 HydrophobicContact CE2-CZ 3.24Å; F179-F383 HydrophobicContact CZ-CE2 4.48Å; F179-F383 AromaticContact CZ-CZ 3.7Å; F179-F383 HydrophobicContact CZ-CZ 3.7Å; I224-F383 HydrophobicContact CG2-CE2 4.39Å; L228-F383 HydrophobicContact CD1-CE2 4.17Å; L228-F383 HydrophobicContact CD2-CD2 3.41Å; L228-F383 VanDerWaalsContact CD2-CD2 3.41Å; L228-F383 HydrophobicContact CD2-CE2 3.85Å; L228-F383 HydrophobicContact CD2-CG 4.42Å; L228-F383 HydrophobicContact CG-CD2 4.22Å; L228-F383 HydrophobicContact CG-CE2 4.24Å; G379-F383 WeakPolarHBondContact O-CB 3.14Å; G379-F383 PolarHBondContact O-N 3.46Å; L380-F383 PolarHBondContact O-N 3.39Å; V381-F383 VanDerWaalsContact C-N 3.3Å; V381-F383 PolarHBondContact O-N 3.45Å; F383-I385 VanDerWaalsContact C-N 3.33Å; F383-I385 PolarHBondContact O-N 2.6Å; F383-V386 PolarHBondContact O-N 2.98Å; F383-T387 HydrophobicContact CD2-CG2 3.94Å; F383-T387 HydrophobicContact CE1-CG2 4.07Å; F383-T387 HydrophobicContact CE2-CG2 3.35Å; F383-T387 HydrophobicContact CZ-CG2 3.39Å; F383-T387 WeakPolarHBondContact O-CB 3.38Å; F383-T387 WeakPolarHBondContact O-CG2 3.14Å; F383-T387 PolarHBondContact O-N 3.42Å; F383-T387 PolarHBondContact O-OG1 3.21Å
384S73.7Confident67.2Low60 Ų6050.7 Ų50.742%0.4228%0.283SS..Hα-helixtrans-64.3-38.4178.676.40000112.1L380 V381 T387 S388L380-S384 WeakPolarHBondContact O-CB 3.37Å; L380-S384 PolarHBondContact O-N 3.17Å; V381-S384 PolarHBondContact O-N 2.97Å; V381-S384 VanDerWaalsContact O-N 3.13Å; V381-S384 PolarHBondContact O-OG 3.5Å; S384-T387 WeakPolarHBondContact CA-OG1 3.44Å; S384-T387 PolarHBondContact O-OG1 3.4Å; S384-T387 VanDerWaalsContact O-OG1 3.06Å; S384-S388 WeakPolarHBondContact O-CB 3.2Å; S384-S388 PolarHBondContact O-N 2.91Å
385I75.6Confident67.8Low82 Ų8250.6 Ų50.642%0.42128%0.284SS..Hα-helixtrans-65.1-49.4176.7-68.9166.1000110V381 L382 F383 S388 I389V381-I385 HydrophobicContact CG1-CD1 3.74Å; V381-I385 HydrophobicContact CG1-CG1 4.41Å; V381-I385 VanDerWaalsContact O-CG1 3.3Å; V381-I385 WeakPolarHBondContact O-CG1 3.48Å; V381-I385 PolarHBondContact O-N 3.23Å; L382-I385 PolarHBondContact O-N 3.46Å; F383-I385 VanDerWaalsContact C-N 3.33Å; F383-I385 PolarHBondContact O-N 2.6Å; I385-S388 PolarHBondContact O-N 3.46Å; I385-I389 HydrophobicContact CG2-CD1 3.67Å; I385-I389 HydrophobicContact CG2-CG1 4.42Å; I385-I389 WeakPolarHBondContact O-CB 3.19Å; I385-I389 VanDerWaalsContact O-CG1 3.24Å; I385-I389 WeakPolarHBondContact O-CG1 3.49Å; I385-I389 PolarHBondContact O-N 3.42Å
386V72.5Confident68.1Low15 Ų1551.5 Ų51.59%0.09129%0.286CS..Hα-helixtrans-67.8-42-177.8169.60000112W227 L231 L382 F383 S388 I389 I390W227-V386 HydrophobicContact CB-CG1 3.79Å; W227-V386 HydrophobicContact CD2-CG1 3.74Å; W227-V386 HydrophobicContact CE3-CG1 3.59Å; W227-V386 HydrophobicContact CE3-CG2 4.3Å; W227-V386 HydrophobicContact CG-CG1 3.87Å; W227-V386 HydrophobicContact CZ3-CG1 4.37Å; L231-V386 HydrophobicContact CD1-CB 3.89Å; L231-V386 HydrophobicContact CD1-CG1 4.25Å; L231-V386 HydrophobicContact CD1-CG2 3.68Å; L231-V386 HydrophobicContact CD2-CG2 3.79Å; L231-V386 HydrophobicContact CG-CG2 4.06Å; L382-V386 WeakPolarHBondContact O-CG2 3.32Å; L382-V386 PolarHBondContact O-N 3.02Å; F383-V386 PolarHBondContact O-N 2.98Å; V386-S388 VanDerWaalsContact C-N 3.33Å; V386-S388 PolarHBondContact O-N 3.06Å; V386-I389 PolarHBondContact O-N 2.85Å; V386-I390 HydrophobicContact CG1-CD1 3.71Å; V386-I390 HydrophobicContact CG1-CG1 4.32Å; V386-I390 WeakPolarHBondContact O-CB 3.33Å; V386-I390 VanDerWaalsContact O-CG1 3.23Å; V386-I390 WeakPolarHBondContact O-CG1 3.39Å; V386-I390 PolarHBondContact O-N 2.98Å
387T70.8Confident68.2Low28 Ų2849.5 Ų49.517%0.17228%0.278CS..Hα-helixtrans-62.7-41.417447.70000111.6F383 S384 I390 C391F383-T387 HydrophobicContact CD2-CG2 3.94Å; F383-T387 HydrophobicContact CE1-CG2 4.07Å; F383-T387 HydrophobicContact CE2-CG2 3.35Å; F383-T387 HydrophobicContact CZ-CG2 3.39Å; F383-T387 WeakPolarHBondContact O-CB 3.38Å; F383-T387 WeakPolarHBondContact O-CG2 3.14Å; F383-T387 PolarHBondContact O-N 3.42Å; F383-T387 PolarHBondContact O-OG1 3.21Å; S384-T387 WeakPolarHBondContact CA-OG1 3.44Å; S384-T387 PolarHBondContact O-OG1 3.4Å; S384-T387 VanDerWaalsContact O-OG1 3.06Å; T387-I390 PolarHBondContact O-N 3.41Å; T387-C391 VanDerWaalsContact O-CB 3.26Å; T387-C391 WeakPolarHBondContact O-CB 3.45Å; T387-C391 PolarHBondContact O-N 3.37Å; T387-C391 PolarHBondContact O-SG 3.19Å
388S74.6Confident68.1Low60 Ų6046.7 Ų46.742%0.4226%0.264SS..Hα-helixtrans-60.6-46173.5-175.60000111.8S384 I385 V386 I390 C391 L392S384-S388 WeakPolarHBondContact O-CB 3.2Å; S384-S388 PolarHBondContact O-N 2.91Å; I385-S388 PolarHBondContact O-N 3.46Å; V386-S388 VanDerWaalsContact C-N 3.33Å; V386-S388 PolarHBondContact O-N 3.06Å; S388-I390 PolarHBondContact O-N 2.79Å; S388-C391 PolarHBondContact O-N 3.47Å; S388-L392 VanDerWaalsContact O-CB 3.31Å; S388-L392 WeakPolarHBondContact O-CB 3.28Å; S388-L392 VanDerWaalsContact O-CG 3.22Å; S388-L392 WeakPolarHBondContact O-CG 3.21Å; S388-L392 PolarHBondContact O-N 3.01Å
389I74Confident68.2Low74 Ų7456.1 Ų56.138%0.37929%0.294SS..Hα-helixtrans-60.9-46.3176.4-69.9165.5000111I385 V386 C391 L392 I393I385-I389 HydrophobicContact CG2-CD1 3.67Å; I385-I389 HydrophobicContact CG2-CG1 4.42Å; I385-I389 WeakPolarHBondContact O-CB 3.19Å; I385-I389 VanDerWaalsContact O-CG1 3.24Å; I385-I389 WeakPolarHBondContact O-CG1 3.49Å; I385-I389 PolarHBondContact O-N 3.42Å; V386-I389 PolarHBondContact O-N 2.85Å; I389-C391 VanDerWaalsContact C-N 3.34Å; I389-C391 PolarHBondContact O-N 3.4Å; I389-L392 PolarHBondContact O-N 3.31Å; I389-I393 HydrophobicContact CG2-CD1 3.62Å; I389-I393 HydrophobicContact CG2-CG1 4.3Å; I389-I393 WeakPolarHBondContact O-CB 3.38Å; I389-I393 WeakPolarHBondContact O-CG1 2.96Å; I389-I393 PolarHBondContact O-N 3.2Å
390I72Confident67.9Low2 Ų256.9 Ų56.91%0.0130%0.298CS..Hα-helixtrans-61.9-43.7177.2-68.3165.8000110.5I220 I224 W227 V386 T387 S388 N394I220-I390 HydrophobicContact CG1-CG2 4.24Å; I220-I390 HydrophobicContact CG2-CG2 4.49Å; I224-I390 HydrophobicContact CG1-CD1 4.29Å; W227-I390 HydrophobicContact CB-CD1 4.08Å; W227-I390 VanDerWaalsContact CD1-CD1 3.41Å; W227-I390 HydrophobicContact CD2-CD1 4.27Å; W227-I390 HydrophobicContact CG-CD1 3.67Å; V386-I390 HydrophobicContact CG1-CD1 3.71Å; V386-I390 HydrophobicContact CG1-CG1 4.32Å; V386-I390 WeakPolarHBondContact O-CB 3.33Å; V386-I390 VanDerWaalsContact O-CG1 3.23Å; V386-I390 WeakPolarHBondContact O-CG1 3.39Å; V386-I390 PolarHBondContact O-N 2.98Å; T387-I390 PolarHBondContact O-N 3.41Å; S388-I390 PolarHBondContact O-N 2.79Å; I390-N394 WeakPolarHBondContact CG2-ND2 3.37Å; I390-N394 VanDerWaalsContact O-CB 3.3Å; I390-N394 WeakPolarHBondContact O-CB 3.34Å; I390-N394 PolarHBondContact O-N 3.2Å; I390-N394 PolarHBondContact O-ND2 3.43Å
391C70.8Confident67.5Low45 Ų4558.2 Ų58.230%0.30430%0.299SS..Hα-helixtrans-63.1-47.6177.1-76.10000110.8T387 S388 I389 N394 T395T387-C391 VanDerWaalsContact O-CB 3.26Å; T387-C391 WeakPolarHBondContact O-CB 3.45Å; T387-C391 PolarHBondContact O-N 3.37Å; T387-C391 PolarHBondContact O-SG 3.19Å; S388-C391 PolarHBondContact O-N 3.47Å; I389-C391 VanDerWaalsContact C-N 3.34Å; I389-C391 PolarHBondContact O-N 3.4Å; C391-N394 CarbonylContact O-C 3.6Å; C391-N394 PolarHBondContact O-N 3.27Å; C391-T395 WeakPolarHBondContact O-CB 3.14Å; C391-T395 WeakPolarHBondContact O-CG2 3.37Å; C391-T395 PolarHBondContact O-N 3.19Å
392L71.6Confident66.6Low98 Ų9861.6 Ų61.651%0.51331%0.308SS..Hα-helixtrans-59.3-51.8177.4-75.2170.6000111.1S388 I389 N394 T395 H396S388-L392 VanDerWaalsContact O-CB 3.31Å; S388-L392 WeakPolarHBondContact O-CB 3.28Å; S388-L392 VanDerWaalsContact O-CG 3.22Å; S388-L392 WeakPolarHBondContact O-CG 3.21Å; S388-L392 PolarHBondContact O-N 3.01Å; I389-L392 PolarHBondContact O-N 3.31Å; L392-N394 PolarHBondContact O-N 2.93Å; L392-T395 PolarHBondContact O-N 2.93Å; L392-T395 VanDerWaalsContact O-N 3.1Å; L392-T395 PolarHBondContact O-OG1 3.36Å; L392-H396 PolarHBondContact O-CD2 2.98Å; L392-H396 VanDerWaalsContact O-CD2 3.24Å
393I67.6Low66Low36 Ų3663.8 Ų63.819%0.18532%0.319CS..Hα-helixtrans-55.7-41.7175.4-69.2169.2000110.3I389 Y424 L428 C431I389-I393 HydrophobicContact CG2-CD1 3.62Å; I389-I393 HydrophobicContact CG2-CG1 4.3Å; I389-I393 WeakPolarHBondContact O-CB 3.38Å; I389-I393 WeakPolarHBondContact O-CG1 2.96Å; I389-I393 PolarHBondContact O-N 3.2Å; I393-Y424 PolarHBondContact O-OH 3.06Å; I393-L428 HydrophobicContact CG2-CD1 3.64Å; I393-L428 HydrophobicContact CG2-CG 4.14Å; I393-C431 HydrophobicContact CD1-CB 4.42Å
394N66.8Low65.2Low0 Ų063.6 Ų63.60%032%0.324CS..Hα-helixtrans-81-22.2179.9-71.5-41.6000113.7Y216 I220 I390 C391 L392 H396 L397 H432Y216-N394 HydrophobicContact CD2-CB 3.86Å; Y216-N394 WeakPolarHBondContact CD2-O 3.46Å; Y216-N394 VanDerWaalsContact CE2-C 3.43Å; Y216-N394 HydrophobicContact CE2-CB 3.49Å; Y216-N394 VanDerWaalsContact CE2-CB 3.49Å; Y216-N394 WeakPolarHBondContact CE2-O 3.47Å; I220-N394 HydrophobicContact CD1-CB 4.16Å; I220-N394 HydrophobicContact CG1-CB 4.02Å; I220-N394 VanDerWaalsContact CG1-ND2 3.31Å; I220-N394 WeakPolarHBondContact CG1-ND2 3.36Å; I390-N394 WeakPolarHBondContact CG2-ND2 3.37Å; I390-N394 VanDerWaalsContact O-CB 3.3Å; I390-N394 WeakPolarHBondContact O-CB 3.34Å; I390-N394 PolarHBondContact O-N 3.2Å; I390-N394 PolarHBondContact O-ND2 3.43Å; C391-N394 CarbonylContact O-C 3.6Å; C391-N394 PolarHBondContact O-N 3.27Å; L392-N394 PolarHBondContact O-N 2.93Å; N394-H396 PolarHBondContact O-N 2.88Å; N394-L397 HydrophobicContact CB-CD1 4.33Å; N394-L397 WeakPolarHBondContact O-CB 3.26Å; N394-L397 PolarHBondContact O-N 3.36Å; N394-H432 PolarHBondContact ND2-CE1 2.69Å; N394-H432 PolarHBondContact ND2-NE2 2.73Å; N394-H432 PolarHBondContact OD1-NE2 3.46Å
395T64.4Low64.4Low46 Ų4670.9 Ų70.928%0.28235%0.348SS..Hα-helixtrans-63.9-30.9-177.655.80000111.7C391 L392 L397 I398 W399C391-T395 WeakPolarHBondContact O-CB 3.14Å; C391-T395 WeakPolarHBondContact O-CG2 3.37Å; C391-T395 PolarHBondContact O-N 3.19Å; L392-T395 PolarHBondContact O-N 2.93Å; L392-T395 VanDerWaalsContact O-N 3.1Å; L392-T395 PolarHBondContact O-OG1 3.36Å; T395-L397 PolarHBondContact O-N 3.38Å; T395-I398 WeakPolarHBondContact O-CB 3.14Å; T395-I398 PolarHBondContact O-N 3.49Å; T395-W399 PolarHBondContact O-N 3.38Å
396H61.2Low63.2Low98 Ų9873.4 Ų73.445%0.45437%0.367SS..Hα-helixtrans-63.7-24.4172.9-68.8-73.7000112.9L392 N394 I398 W399 L400 Y424L392-H396 PolarHBondContact O-CD2 2.98Å; L392-H396 VanDerWaalsContact O-CD2 3.24Å; N394-H396 PolarHBondContact O-N 2.88Å; H396-I398 PolarHBondContact O-N 3.02Å; H396-W399 PolarHBondContact O-N 3.48Å; H396-W399 VanDerWaalsContact O-N 3.16Å; H396-L400 WeakPolarHBondContact O-CG 3.48Å; H396-L400 PolarHBondContact O-N 3.3Å; H396-Y424 HydrophobicContact CB-CE1 4.01Å; H396-Y424 HydrophobicContact CB-CE2 4.39Å; H396-Y424 WeakPolarHBondContact CB-OH 3.48Å
397L59.3Low62.1Low41 Ų4176.2 Ų76.222%0.21539%0.385CS..Hα-helixtrans-64.4-29.3171.5-64.2171.1000112.1N394 T395 L400 Y401 Y424 L428N394-L397 HydrophobicContact CB-CD1 4.33Å; N394-L397 WeakPolarHBondContact O-CB 3.26Å; N394-L397 PolarHBondContact O-N 3.36Å; T395-L397 PolarHBondContact O-N 3.38Å; L397-L400 HydrophobicContact CD2-CD1 4.45Å; L397-Y401 WeakPolarHBondContact O-CD2 3.29Å; L397-Y424 HydrophobicContact CD2-CE1 4.49Å; L397-L428 HydrophobicContact CD1-CD1 4.02Å; L397-L428 HydrophobicContact CD1-CD2 4.11Å; L397-L428 HydrophobicContact CD2-CD1 4.11Å; L397-L428 HydrophobicContact CD2-CD2 4.46Å; L397-L428 HydrophobicContact CG-CD1 3.98Å
398I59.6Low61.1Low68 Ų6883.7 Ų83.735%0.34942%0.415SS..Hα-helixtrans-72.6-37.1175.4-57.3173.4000109.9Y216 T395 H396Y216-I398 HydrophobicContact CD1-CD1 4.32Å; Y216-I398 HydrophobicContact CD2-CD1 3.88Å; Y216-I398 HydrophobicContact CD2-CG1 3.92Å; Y216-I398 HydrophobicContact CE1-CD1 4.29Å; Y216-I398 HydrophobicContact CE2-CD1 3.85Å; Y216-I398 HydrophobicContact CE2-CG1 4.26Å; Y216-I398 HydrophobicContact CG-CD1 4.12Å; Y216-I398 HydrophobicContact CG-CG1 4.29Å; T395-I398 WeakPolarHBondContact O-CB 3.14Å; T395-I398 PolarHBondContact O-N 3.49Å; H396-I398 PolarHBondContact O-N 3.02Å
399W59.9Low59.4Low214 Ų21489.2 Ų89.281%0.81143%0.427SS*.Hα-helixtrans-74.3-28.9-178.7-86.977.6000114.5T395 H396 Y401T395-W399 PolarHBondContact O-N 3.38Å; H396-W399 PolarHBondContact O-N 3.48Å; H396-W399 VanDerWaalsContact O-N 3.16Å; W399-Y401 PolarHBondContact O-N 3.31Å; W399-Y401 VanDerWaalsContact O-N 3.13Å
400L56.4Low58.1Low17 Ų1786.4 Ų86.49%0.08941%0.413CS..THydrogen-bonded Turntrans-66.6-13.1-176.1-80.7166.3000114.9H396 L397 S413 A414 L420 Y424H396-L400 WeakPolarHBondContact O-CG 3.48Å; H396-L400 PolarHBondContact O-N 3.3Å; L397-L400 HydrophobicContact CD2-CD1 4.45Å; L400-S413 PolarHBondContact O-N 3.33Å; L400-A414 HydrophobicContact CD2-CB 4.05Å; L400-L420 HydrophobicContact CD2-CB 4.21Å; L400-L420 HydrophobicContact CD2-CD2 3.58Å; L400-Y424 HydrophobicContact CD1-CD1 3.68Å; L400-Y424 HydrophobicContact CD1-CE1 3.96Å
401Y55.2Low56.9Low91 Ų9190.5 Ų90.536%0.35744%0.438SS..EExtended strand (participates in β ladder)trans-116.7112.4-175.2-68.5-89.1000112.5R212 L397 W399 C410 L412R212-Y401 PolarHBondContact NH1-O 3.43Å; R212-Y401 PolarHBondContact NH2-O 3.11Å; R212-Y401 VanDerWaalsContact NH2-O 3.11Å; L397-Y401 WeakPolarHBondContact O-CD2 3.29Å; W399-Y401 PolarHBondContact O-N 3.31Å; W399-Y401 VanDerWaalsContact O-N 3.13Å; Y401-C410 HydrophobicContact CD1-CB 4.25Å; Y401-L412 HydrophobicContact CD1-CD1 4.38Å; Y401-L412 HydrophobicContact CD1-CG 4.13Å; Y401-L412 HydrophobicContact CE1-CD1 3.51Å; Y401-L412 HydrophobicContact CE1-CG 3.71Å
402K53.3Low56Low140 Ų14092.1 Ų92.161%0.60944%0.443SS*.EExtended strand (participates in β ladder)trans-87.6138172.6-170.5172-176177.60109.6G404 V411K402-G404 PolarHBondContact O-N 3.42Å; K402-V411 PolarHBondContact N-O 3.49Å; K402-V411 VanDerWaalsContact N-O 3.12Å; K402-V411 PolarHBondContact O-N 3.38Å
403I56.6Low54.9Low101 Ų10190.6 Ų90.652%0.51844%0.441SS..EExtended strand (participates in β ladder)trans-81.7112.5171.6-60.5172.2000106R212 K405R212-I403 VanDerWaalsContact NH2-CG1 3.33Å; I403-K405 PolarHBondContact O-N 2.97Å
404G54.2Low53.9Low20 Ų2089.8 Ų89.821%0.20644%0.44CS..  trans-64.3120.2172.200000109.3K402 T406 K408 R409K402-G404 PolarHBondContact O-N 3.42Å; G404-T406 PolarHBondContact O-N 3.25Å; G404-T406 VanDerWaalsContact O-N 3.16Å; G404-K408 PolarHBondContact O-N 2.94Å; G404-R409 PolarHBondContact N-O 2.88Å
405K55Low52.6Low212 Ų21292.4 Ų92.492%0.92247%0.467SS*.THydrogen-bonded Turntrans-57.1-28.9179.2-75.3-173.3176.2-177.30112.6I403I403-K405 PolarHBondContact O-N 2.97Å
406T50.5Low51.5Low135 Ų13598.4 Ų98.483%0.82850%0.497SS*.THydrogen-bonded Turntrans-97.2-26.7-172.348.80000114.3G404G404-T406 PolarHBondContact O-N 3.25Å; G404-T406 VanDerWaalsContact O-N 3.16Å
407T50Low51.1Low75 Ų7595.5 Ų95.546%0.4649%0.49SS..THydrogen-bonded Turntrans-109.4-9.6-171.354.60000114.2R409T407-R409 WeakPolarHBondContact O-CG 3.44Å; T407-R409 PolarHBondContact O-N 3.19Å; T407-R409 PolarHBondContact OG1-N 3.5Å
408K50.4Low50.8Low185 Ų18599.9 Ų99.980%0.80451%0.512SS*.  trans48.113.7-165.2-67-175.6177.8177.60113.4G404G404-K408 PolarHBondContact O-N 2.94Å
409R39Very low50.7Low176 Ų176102.6 Ų102.666%0.66453%0.526SS*.  trans-95.7135.9177.9-71.6179.6-178.4-178.90.2108.2G404 T407 V411G404-R409 PolarHBondContact N-O 2.88Å; T407-R409 WeakPolarHBondContact O-CG 3.44Å; T407-R409 PolarHBondContact O-N 3.19Å; T407-R409 PolarHBondContact OG1-N 3.5Å; R409-V411 PolarHBondContact O-N 2.87Å
410C45.9Very low50.4Low14 Ų1495.8 Ų95.810%0.09551%0.505CS..EExtended strand (participates in β ladder)trans-72.5110.8170.1-68.90000107.7H207 R212 Y401H207-C410 HydrophobicContact CB-CB 3.77Å; H207-C410 PolarHBondContact O-SG 3.49Å; R212-C410 PolarHBondContact NE-SG 3.22Å; R212-C410 PolarHBondContact NH2-SG 2.88Å; Y401-C410 HydrophobicContact CD1-CB 4.25Å
411V47.6Very low50.1Low89 Ų8997.7 Ų97.754%0.53952%0.52SS..EExtended strand (participates in β ladder)trans-98.1129.9167.3-174.20000106.5K402 R409 S413K402-V411 PolarHBondContact N-O 3.49Å; K402-V411 VanDerWaalsContact N-O 3.12Å; K402-V411 PolarHBondContact O-N 3.38Å; R409-V411 PolarHBondContact O-N 2.87Å; V411-S413 PolarHBondContact O-N 3.32Å
412L51.3Low50.3Low79 Ų7998 Ų9841%0.41453%0.531SS..EExtended strand (participates in β ladder)trans-54.9112.6168.3-118.7127.4000106.7Y401 A414Y401-L412 HydrophobicContact CD1-CD1 4.38Å; Y401-L412 HydrophobicContact CD1-CG 4.13Å; Y401-L412 HydrophobicContact CE1-CD1 3.51Å; Y401-L412 HydrophobicContact CE1-CG 3.71Å; L412-A414 VanDerWaalsContact C-N 3.32Å
413S49.1Very low50.6Low65 Ų6596.8 Ų96.846%0.45553%0.526SS..SBendtrans-91.53-170135.70000113.8L400 V411 G415L400-S413 PolarHBondContact O-N 3.33Å; V411-S413 PolarHBondContact O-N 3.32Å; S413-G415 PolarHBondContact O-N 2.94Å
414A46.3Very low50.8Low20 Ų2093.7 Ų93.717%0.16551%0.508CS..  trans-93.961.1159.100000108.8L400 L412 L420L400-A414 HydrophobicContact CD2-CB 4.05Å; L412-A414 VanDerWaalsContact C-N 3.32Å; A414-L420 HydrophobicContact CB-CB 3.88Å
415G38.7Very low51.2Low55 Ų5596 Ų9657%0.56752%0.519SS*.  trans-66.5129.7153.600000107.5S413S413-G415 PolarHBondContact O-N 2.94Å
416D42.8Very low51.6Low171 Ų17192.3 Ų92.391%0.91450%0.5SS*.SBendtrans90.7-11.9170.2-49.7-20.3000119.6I418D416-I418 PolarHBondContact O-N 3.35Å
417A52.4Low52.3Low37 Ų3788.8 Ų88.831%0.30648%0.476SS..  trans-9398.8169.300000111.4I419 L420 S421A417-I419 PolarHBondContact O-N 3.49Å; A417-L420 HydrophobicContact CB-CB 4.27Å; A417-L420 HydrophobicContact CB-CD1 4.01Å; A417-L420 PolarHBondContact O-N 3.21Å; A417-S421 PolarHBondContact O-N 3.32Å; A417-S421 VanDerWaalsContact O-N 3.16Å; A417-S421 PolarHBondContact O-OG 2.95Å
418I52.9Low53.1Low134 Ų13486.1 Ų86.169%0.68746%0.459SS*.Hα-helixtrans-46-35.8173.2-65.6171.9000111.6D416 V422D416-I418 PolarHBondContact O-N 3.35Å; I418-V422 WeakPolarHBondContact O-CB 3.47Å; I418-V422 PolarHBondContact O-N 3.16Å
419I56.4Low53.8Low124 Ų12481 Ų8164%0.63644%0.437SS*.Iπ-helixtrans-64-42179.8-58.5172.5000111.7A417 F423 Y424A417-I419 PolarHBondContact O-N 3.49Å; I419-F423 VanDerWaalsContact O-CB 3.26Å; I419-F423 WeakPolarHBondContact O-CB 3.25Å; I419-F423 PolarHBondContact O-N 2.95Å; I419-Y424 PolarHBondContact O-N 3.29Å
420L53.4Low55.2Low72 Ų7275 Ų7538%0.37742%0.419SS..Iπ-helixtrans-85.4-26.9-176.8-83.8138.7000113L400 A414 A417 Y424L400-L420 HydrophobicContact CD2-CB 4.21Å; L400-L420 HydrophobicContact CD2-CD2 3.58Å; A414-L420 HydrophobicContact CB-CB 3.88Å; A417-L420 HydrophobicContact CB-CB 4.27Å; A417-L420 HydrophobicContact CB-CD1 4.01Å; A417-L420 PolarHBondContact O-N 3.21Å; L420-Y424 WeakPolarHBondContact O-CB 3.47Å
421S51.2Low56.3Low56 Ų5675.6 Ų75.639%0.39242%0.424SS..Iπ-helixtrans-86.9-36.6-179.663.10000113.6A417 P425A417-S421 PolarHBondContact O-N 3.32Å; A417-S421 VanDerWaalsContact O-N 3.16Å; A417-S421 PolarHBondContact O-OG 2.95Å; S421-P425 WeakPolarHBondContact O-CD 3.24Å; S421-P425 WeakPolarHBondContact O-CG 3.5Å
422V58.6Low57.4Low97 Ų9771.5 Ų71.559%0.58840%0.399SS*.Iπ-helixtrans-106.1-50.8-175.5-176.80000111.5I418 Y426I418-V422 WeakPolarHBondContact O-CB 3.47Å; I418-V422 PolarHBondContact O-N 3.16Å; V422-Y426 WeakPolarHBondContact O-CB 3.1Å
423F60Low58.1Low116 Ų11669.6 Ų69.651%0.50939%0.392SS..Iπ-helixtrans-75.4-38.9-173.1-174.6-97000111.9I419 Y426 L427I419-F423 VanDerWaalsContact O-CB 3.26Å; I419-F423 WeakPolarHBondContact O-CB 3.25Å; I419-F423 PolarHBondContact O-N 2.95Å; F423-Y426 CarbonylContact O-C 3.59Å; F423-Y426 WeakPolarHBondContact O-CB 3.33Å; F423-Y426 PolarHBondContact O-N 2.69Å; F423-L427 HydrophobicContact CD1-CB 4.42Å; F423-L427 HydrophobicContact CD1-CD1 4.26Å; F423-L427 HydrophobicContact CE1-CB 4.27Å; F423-L427 HydrophobicContact CE1-CD1 3.42Å; F423-L427 VanDerWaalsContact CE1-CD1 3.42Å; F423-L427 HydrophobicContact CE1-CG 4.49Å; F423-L427 HydrophobicContact CZ-CD1 3.91Å; F423-L427 VanDerWaalsContact O-CB 3.3Å; F423-L427 WeakPolarHBondContact O-CB 3.33Å; F423-L427 PolarHBondContact O-N 2.7Å
424Y61.6Low59.3Low36 Ų3669.8 Ų69.814%0.14139%0.387CS..Hα-helixtrans-64.8-47.7-177.4-165.3-94.8000114.5I393 H396 L397 L400 I419 L420 Y426 L427 L428I393-Y424 PolarHBondContact O-OH 3.06Å; H396-Y424 HydrophobicContact CB-CE1 4.01Å; H396-Y424 HydrophobicContact CB-CE2 4.39Å; H396-Y424 WeakPolarHBondContact CB-OH 3.48Å; L397-Y424 HydrophobicContact CD2-CE1 4.49Å; L400-Y424 HydrophobicContact CD1-CD1 3.68Å; L400-Y424 HydrophobicContact CD1-CE1 3.96Å; I419-Y424 PolarHBondContact O-N 3.29Å; L420-Y424 WeakPolarHBondContact O-CB 3.47Å; Y424-Y426 PolarHBondContact O-N 3.1Å; Y424-L427 PolarHBondContact O-N 3.24Å; Y424-L428 HydrophobicContact CE1-CD1 3.91Å; Y424-L428 VanDerWaalsContact O-CB 3.31Å; Y424-L428 WeakPolarHBondContact O-CB 3.49Å; Y424-L428 PolarHBondContact O-N 3.41Å
425P61.7Low60.6Low68 Ų6872 Ų7244%0.44240%0.396SS..Hα-helixtrans-64.1-33174.7-21.534.7000112.2S421 K429S421-P425 WeakPolarHBondContact O-CD 3.24Å; S421-P425 WeakPolarHBondContact O-CG 3.5Å; P425-K429 VanDerWaalsContact O-CB 3.25Å; P425-K429 WeakPolarHBondContact O-CB 3.38Å; P425-K429 PolarHBondContact O-N 3.43Å
426Y63.1Low62.2Low134 Ų13469.4 Ų69.453%0.52537%0.369SS..Hα-helixtrans-66.9-47174.8-171.4-92.2000111.3V422 F423 Y424 K429 V430V422-Y426 WeakPolarHBondContact O-CB 3.1Å; F423-Y426 CarbonylContact O-C 3.59Å; F423-Y426 WeakPolarHBondContact O-CB 3.33Å; F423-Y426 PolarHBondContact O-N 2.69Å; Y424-Y426 PolarHBondContact O-N 3.1Å; Y426-K429 CarbonylContact O-C 3.57Å; Y426-K429 WeakPolarHBondContact O-CB 3.39Å; Y426-K429 PolarHBondContact O-N 2.91Å; Y426-V430 HydrophobicContact CD1-CG2 3.97Å; Y426-V430 HydrophobicContact CE1-CG2 3.69Å; Y426-V430 VanDerWaalsContact O-CG2 3.3Å; Y426-V430 WeakPolarHBondContact O-CG2 3.11Å; Y426-V430 PolarHBondContact O-N 2.82Å
427L66.2Low63.8Low61 Ų6163.1 Ų63.132%0.31933%0.334SS..Hα-helixtrans-62.8-44.3176.9-175141.5000111.2F423 Y424 K429 V430 C431F423-L427 HydrophobicContact CD1-CB 4.42Å; F423-L427 HydrophobicContact CD1-CD1 4.26Å; F423-L427 HydrophobicContact CE1-CB 4.27Å; F423-L427 HydrophobicContact CE1-CD1 3.42Å; F423-L427 VanDerWaalsContact CE1-CD1 3.42Å; F423-L427 HydrophobicContact CE1-CG 4.49Å; F423-L427 HydrophobicContact CZ-CD1 3.91Å; F423-L427 VanDerWaalsContact O-CB 3.3Å; F423-L427 WeakPolarHBondContact O-CB 3.33Å; F423-L427 PolarHBondContact O-N 2.7Å; Y424-L427 PolarHBondContact O-N 3.24Å; L427-K429 VanDerWaalsContact C-N 3.25Å; L427-K429 PolarHBondContact O-N 3.23Å; L427-V430 PolarHBondContact O-N 3.28Å; L427-V430 VanDerWaalsContact O-N 3.14Å; L427-C431 WeakPolarHBondContact O-CB 3.29Å; L427-C431 PolarHBondContact O-N 3.45Å; L427-C431 PolarHBondContact O-SG 3Å
428L66.6Low65Low19 Ų1966 Ų6610%0.09934%0.343CS..Hα-helixtrans-60.2-39.4175.3-164.3122.3000111.1I393 L397 Y424 H432I393-L428 HydrophobicContact CG2-CD1 3.64Å; I393-L428 HydrophobicContact CG2-CG 4.14Å; L397-L428 HydrophobicContact CD1-CD1 4.02Å; L397-L428 HydrophobicContact CD1-CD2 4.11Å; L397-L428 HydrophobicContact CD2-CD1 4.11Å; L397-L428 HydrophobicContact CD2-CD2 4.46Å; L397-L428 HydrophobicContact CG-CD1 3.98Å; Y424-L428 HydrophobicContact CE1-CD1 3.91Å; Y424-L428 VanDerWaalsContact O-CB 3.31Å; Y424-L428 WeakPolarHBondContact O-CB 3.49Å; Y424-L428 PolarHBondContact O-N 3.41Å; L428-H432 VanDerWaalsContact O-CB 3.3Å; L428-H432 WeakPolarHBondContact O-CB 3.14Å; L428-H432 PolarHBondContact O-CD2 3.26Å; L428-H432 PolarHBondContact O-N 3.16Å
429K65.9Low66.1Low78 Ų7861.5 Ų61.534%0.33932%0.32SS..Hα-helixtrans-66.5-41.9174.4-167.2169.1-166.11510112.3P425 Y426 L427 S433 W516P425-K429 VanDerWaalsContact O-CB 3.25Å; P425-K429 WeakPolarHBondContact O-CB 3.38Å; P425-K429 PolarHBondContact O-N 3.43Å; Y426-K429 CarbonylContact O-C 3.57Å; Y426-K429 WeakPolarHBondContact O-CB 3.39Å; Y426-K429 PolarHBondContact O-N 2.91Å; L427-K429 VanDerWaalsContact C-N 3.25Å; L427-K429 PolarHBondContact O-N 3.23Å; K429-S433 WeakPolarHBondContact O-CA 3.39Å; K429-S433 WeakPolarHBondContact O-CB 3.33Å; K429-S433 PolarHBondContact O-N 3.17Å; K429-W516 VanDerWaalsContact NZ-CD1 3.3Å
430V67.5Low67.1Low49 Ų4955.9 Ų55.930%0.29729%0.292SS..Hα-helixtrans-65.9-47.6176.8172.50000110.7Y426 L427 H432 I434 L435Y426-V430 HydrophobicContact CD1-CG2 3.97Å; Y426-V430 HydrophobicContact CE1-CG2 3.69Å; Y426-V430 VanDerWaalsContact O-CG2 3.3Å; Y426-V430 WeakPolarHBondContact O-CG2 3.11Å; Y426-V430 PolarHBondContact O-N 2.82Å; L427-V430 PolarHBondContact O-N 3.28Å; L427-V430 VanDerWaalsContact O-N 3.14Å; V430-H432 PolarHBondContact O-N 3.36Å; V430-I434 HydrophobicContact CB-CD1 4.48Å; V430-I434 HydrophobicContact CG1-CB 4.46Å; V430-I434 HydrophobicContact CG1-CD1 4.39Å; V430-I434 HydrophobicContact CG2-CD1 4.15Å; V430-I434 WeakPolarHBondContact O-CA 3Å; V430-I434 WeakPolarHBondContact O-CB 3.48Å; V430-I434 PolarHBondContact O-N 3.26Å; V430-L435 PolarHBondContact O-N 3.48Å; V430-L435 VanDerWaalsContact O-N 3.09Å
431C69.7Low68.3Low28 Ų2858 Ų5819%0.18930%0.298CS..Hα-helixtrans-64.4-37.6-179.4-71.10000112.8I393 L427 L435I393-C431 HydrophobicContact CD1-CB 4.42Å; L427-C431 WeakPolarHBondContact O-CB 3.29Å; L427-C431 PolarHBondContact O-N 3.45Å; L427-C431 PolarHBondContact O-SG 3Å; C431-L435 WeakPolarHBondContact O-CB 3.26Å
432H69.4Low69.6Low2 Ų258.5 Ų58.51%0.00930%0.301CS..Hα-helixtrans-88.9-36-180-69.9-43.9000113.7Y223 N394 L428 V430Y223-H432 HydrophobicContact CD1-CB 3.77Å; Y223-H432 WeakPolarHBondContact CD1-O 3.26Å; Y223-H432 HydrophobicContact CD2-CB 3.57Å; Y223-H432 AromaticContact CD2-CD2 3.96Å; Y223-H432 AromaticContact CD2-CG 3.54Å; Y223-H432 AromaticContact CD2-ND1 3.84Å; Y223-H432 HydrophobicContact CE1-CB 3.64Å; Y223-H432 WeakPolarHBondContact CE1-O 3.4Å; Y223-H432 HydrophobicContact CE2-CB 3.46Å; Y223-H432 VanDerWaalsContact CE2-CB 3.46Å; Y223-H432 AromaticContact CE2-CD2 3.89Å; Y223-H432 AromaticContact CE2-CG 3.71Å; Y223-H432 HydrophobicContact CG-CB 3.76Å; Y223-H432 VanDerWaalsContact CZ-CB 3.49Å; N394-H432 PolarHBondContact ND2-CE1 2.69Å; N394-H432 PolarHBondContact ND2-NE2 2.73Å; N394-H432 PolarHBondContact OD1-NE2 3.46Å; L428-H432 VanDerWaalsContact O-CB 3.3Å; L428-H432 WeakPolarHBondContact O-CB 3.14Å; L428-H432 PolarHBondContact O-CD2 3.26Å; L428-H432 PolarHBondContact O-N 3.16Å; V430-H432 PolarHBondContact O-N 3.36Å
433S67.4Low70.3Confident39 Ų3954 Ų5427%0.27327%0.274SS..Hα-helixtrans-94.4-30.6-173.1-167.20000113.9K429 H437K429-S433 WeakPolarHBondContact O-CA 3.39Å; K429-S433 WeakPolarHBondContact O-CB 3.33Å; K429-S433 PolarHBondContact O-N 3.17Å; S433-H437 PolarHBondContact O-CD2 2.76Å
434I73.1Confident71.3Confident69 Ų6949.7 Ų49.735%0.35426%0.256SS..THydrogen-bonded Turntrans-109.4-44-169.8-56.1179.8000110.6V430 H437 I438V430-I434 HydrophobicContact CB-CD1 4.48Å; V430-I434 HydrophobicContact CG1-CB 4.46Å; V430-I434 HydrophobicContact CG1-CD1 4.39Å; V430-I434 HydrophobicContact CG2-CD1 4.15Å; V430-I434 WeakPolarHBondContact O-CA 3Å; V430-I434 WeakPolarHBondContact O-CB 3.48Å; V430-I434 PolarHBondContact O-N 3.26Å; I434-H437 PolarHBondContact O-N 2.85Å; I434-H437 VanDerWaalsContact O-N 3.15Å; I434-I438 HydrophobicContact CG2-CD1 3.67Å; I434-I438 HydrophobicContact CG2-CG1 4.06Å; I434-I438 WeakPolarHBondContact O-CG1 3.26Å; I434-I438 PolarHBondContact O-N 3.03Å
435L74.4Confident72.1Confident67 Ų6751.3 Ų51.335%0.35127%0.27SS..Hα-helixtrans-58.1-45-174.1-174.962000114W227 V430 C431 H437 I438 I439W227-L435 HydrophobicContact CH2-CD2 3.59Å; W227-L435 HydrophobicContact CH2-CG 3.94Å; W227-L435 HydrophobicContact CZ2-CD2 3.94Å; W227-L435 HydrophobicContact CZ2-CG 4.29Å; V430-L435 PolarHBondContact O-N 3.48Å; V430-L435 VanDerWaalsContact O-N 3.09Å; C431-L435 WeakPolarHBondContact O-CB 3.26Å; L435-H437 VanDerWaalsContact C-N 3.27Å; L435-H437 PolarHBondContact O-N 3.36Å; L435-I438 PolarHBondContact O-N 2.74Å; L435-I439 HydrophobicContact CD1-CD1 4.38Å; L435-I439 HydrophobicContact CG-CD1 4.13Å; L435-I439 WeakPolarHBondContact O-CG1 3.37Å; L435-I439 PolarHBondContact O-N 2.97Å
436P72.8Confident72.7Confident0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-61.6-37.8178.5-22.634.6000112.2I226 W227 S230 I439 T440I226-P436 HydrophobicContact CB-CB 4.46Å; I226-P436 HydrophobicContact CG2-CB 3.43Å; I226-P436 VanDerWaalsContact CG2-CB 3.43Å; I226-P436 HydrophobicContact CG2-CG 4.14Å; W227-P436 HydrophobicContact CD2-CG 4.06Å; W227-P436 HydrophobicContact CG-CG 4.24Å; W227-P436 HydrophobicContact CZ2-CG 4.04Å; S230-P436 PolarHBondContact OG-O 2.96Å; P436-I439 PolarHBondContact O-N 3.31Å; P436-T440 WeakPolarHBondContact O-CG2 3.38Å; P436-T440 PolarHBondContact O-N 2.93Å
437H75Confident73.2Confident40 Ų4045 Ų4519%0.18524%0.241CC..Hα-helixtrans-66.7-43.3177.1-63.6-45.8000111.5S433 I434 L435 I439 T440 F441 D509S433-H437 PolarHBondContact O-CD2 2.76Å; I434-H437 PolarHBondContact O-N 2.85Å; I434-H437 VanDerWaalsContact O-N 3.15Å; L435-H437 VanDerWaalsContact C-N 3.27Å; L435-H437 PolarHBondContact O-N 3.36Å; H437-I439 PolarHBondContact O-N 3.21Å; H437-T440 VanDerWaalsContact CA-OG1 3.3Å; H437-T440 WeakPolarHBondContact CA-OG1 3.3Å; H437-T440 PolarHBondContact O-N 2.97Å; H437-T440 VanDerWaalsContact O-N 3.12Å; H437-T440 PolarHBondContact O-OG1 3.3Å; H437-F441 HydrophobicContact CB-CD2 4.47Å; H437-F441 HydrophobicContact CB-CE2 4.47Å; H437-F441 WeakPolarHBondContact O-CD2 3.31Å; H437-F441 PolarHBondContact O-N 2.79Å; H437-D509 IonicContact CE1-OD2 2.72Å; H437-D509 PolarHBondContact CE1-OD2 2.88Å
438I77.5Confident73.6Confident97 Ų9743.8 Ų43.850%0.49724%0.238SC..Hα-helixtrans-55.8-43.1173.4-66.6172.2000110.5I434 L435 F441 S442I434-I438 HydrophobicContact CG2-CD1 3.67Å; I434-I438 HydrophobicContact CG2-CG1 4.06Å; I434-I438 WeakPolarHBondContact O-CG1 3.26Å; I434-I438 PolarHBondContact O-N 3.03Å; L435-I438 PolarHBondContact O-N 2.74Å; I438-F441 PolarHBondContact O-N 3.28Å; I438-S442 WeakPolarHBondContact O-CB 3.34Å; I438-S442 PolarHBondContact O-N 2.76Å; I438-S442 PolarHBondContact O-OG 3.48Å
439I77Confident73.8Confident40 Ų4046.1 Ų46.121%0.20525%0.247CC..Hα-helixtrans-66.9-40.8177.8-62.4167.2000111.5W227 C234 L435 P436 H437 S442 S443W227-I439 HydrophobicContact CE3-CD1 4.47Å; W227-I439 HydrophobicContact CH2-CD1 4.04Å; W227-I439 HydrophobicContact CZ3-CD1 3.65Å; C234-I439 WeakPolarHBondContact SG-CG2 3.43Å; L435-I439 HydrophobicContact CD1-CD1 4.38Å; L435-I439 HydrophobicContact CG-CD1 4.13Å; L435-I439 WeakPolarHBondContact O-CG1 3.37Å; L435-I439 PolarHBondContact O-N 2.97Å; P436-I439 PolarHBondContact O-N 3.31Å; H437-I439 PolarHBondContact O-N 3.21Å; I439-S442 WeakPolarHBondContact CA-OG 3.43Å; I439-S442 PolarHBondContact O-N 3.18Å; I439-S442 PolarHBondContact O-OG 3.35Å; I439-S443 WeakPolarHBondContact O-CB 3.4Å; I439-S443 PolarHBondContact O-N 3.27Å; I439-S443 PolarHBondContact O-OG 2.89Å
440T76.9Confident73.9Confident5 Ų542.6 Ų42.63%0.03123%0.232CC..Hα-helixtrans-63.8-41.8174.457.40000112I229 S230 L233 P436 H437 S443 L444I229-T440 HydrophobicContact CG2-CG2 4.46Å; S230-T440 VanDerWaalsContact OG-CG2 3.27Å; S230-T440 WeakPolarHBondContact OG-CG2 3.02Å; L233-T440 HydrophobicContact CD1-CG2 4.04Å; P436-T440 WeakPolarHBondContact O-CG2 3.38Å; P436-T440 PolarHBondContact O-N 2.93Å; H437-T440 VanDerWaalsContact CA-OG1 3.3Å; H437-T440 WeakPolarHBondContact CA-OG1 3.3Å; H437-T440 PolarHBondContact O-N 2.97Å; H437-T440 VanDerWaalsContact O-N 3.12Å; H437-T440 PolarHBondContact O-OG1 3.3Å; T440-S443 WeakPolarHBondContact CA-OG 3.44Å; T440-S443 PolarHBondContact O-OG 2.84Å; T440-L444 WeakPolarHBondContact O-CB 3.23Å; T440-L444 VanDerWaalsContact O-CG 3.22Å; T440-L444 WeakPolarHBondContact O-CG 3.47Å; T440-L444 PolarHBondContact O-N 3.14Å
441F78.5Confident73.8Confident118 Ų11840.7 Ų40.752%0.51822%0.222SC..Hα-helixtrans-66.2-45.1177.7-81-66000111.2H437 I438 S443 L444 V445 L506H437-F441 HydrophobicContact CB-CD2 4.47Å; H437-F441 HydrophobicContact CB-CE2 4.47Å; H437-F441 WeakPolarHBondContact O-CD2 3.31Å; H437-F441 PolarHBondContact O-N 2.79Å; I438-F441 PolarHBondContact O-N 3.28Å; F441-S443 VanDerWaalsContact C-N 3.34Å; F441-S443 PolarHBondContact O-N 2.99Å; F441-L444 PolarHBondContact O-N 2.85Å; F441-V445 VanDerWaalsContact O-CB 3.32Å; F441-V445 WeakPolarHBondContact O-CB 3.45Å; F441-V445 WeakPolarHBondContact O-CG2 3.39Å; F441-V445 PolarHBondContact O-N 3.43Å; F441-L506 HydrophobicContact CE1-CD1 4.22Å; F441-L506 HydrophobicContact CE2-CD2 4.03Å; F441-L506 HydrophobicContact CZ-CD1 4.24Å; F441-L506 HydrophobicContact CZ-CD2 4.18Å
442S78.1Confident73.6Confident65 Ų6540.2 Ų40.246%0.45522%0.217SC..Hα-helixtrans-64-39.2179.367.50000112.2I438 I439 V445 L446I438-S442 WeakPolarHBondContact O-CB 3.34Å; I438-S442 PolarHBondContact O-N 2.76Å; I438-S442 PolarHBondContact O-OG 3.48Å; I439-S442 WeakPolarHBondContact CA-OG 3.43Å; I439-S442 PolarHBondContact O-N 3.18Å; I439-S442 PolarHBondContact O-OG 3.35Å; S442-V445 PolarHBondContact O-N 3.35Å; S442-L446 WeakPolarHBondContact O-CB 3.46Å; S442-L446 PolarHBondContact O-N 3.27Å
443S74.9Confident73.3Confident2 Ų242.9 Ų42.91%0.01423%0.229CC..Hα-helixtrans-70.2-40.1175.853.30000112.9L233 I439 T440 F441 V445 L446 L447L233-S443 VanDerWaalsContact CB-OG 3.25Å; L233-S443 WeakPolarHBondContact CB-OG 3.45Å; I439-S443 WeakPolarHBondContact O-CB 3.4Å; I439-S443 PolarHBondContact O-N 3.27Å; I439-S443 PolarHBondContact O-OG 2.89Å; T440-S443 WeakPolarHBondContact CA-OG 3.44Å; T440-S443 PolarHBondContact O-OG 2.84Å; F441-S443 VanDerWaalsContact C-N 3.34Å; F441-S443 PolarHBondContact O-N 2.99Å; S443-V445 VanDerWaalsContact C-N 3.34Å; S443-V445 PolarHBondContact O-N 3.43Å; S443-L446 PolarHBondContact O-N 2.85Å; S443-L447 WeakPolarHBondContact O-CB 3.3Å; S443-L447 VanDerWaalsContact O-CG 3.3Å; S443-L447 WeakPolarHBondContact O-CG 3.33Å; S443-L447 PolarHBondContact O-N 3.33Å
444L79.7Confident73.1Confident26 Ų2643.5 Ų43.514%0.13623%0.227CC..Hα-helixtrans-63.5-39.4172.8-74.4172.4000112.1L233 T440 F441 L447 S448 I499 L503 L506L233-L444 HydrophobicContact CD1-CG 4.33Å; L233-L444 HydrophobicContact CD2-CD2 4.21Å; T440-L444 WeakPolarHBondContact O-CB 3.23Å; T440-L444 VanDerWaalsContact O-CG 3.22Å; T440-L444 WeakPolarHBondContact O-CG 3.47Å; T440-L444 PolarHBondContact O-N 3.14Å; F441-L444 PolarHBondContact O-N 2.85Å; L444-L447 PolarHBondContact O-N 3.18Å; L444-S448 WeakPolarHBondContact O-CB 3.35Å; L444-S448 PolarHBondContact O-N 3.19Å; L444-I499 HydrophobicContact CD2-CG1 4.39Å; L444-I499 HydrophobicContact CD2-CG2 4.09Å; L444-L503 HydrophobicContact CD1-CD2 3.8Å; L444-L503 HydrophobicContact CD1-CG 4.48Å; L444-L503 HydrophobicContact CD2-CD2 4.44Å; L444-L503 HydrophobicContact CD2-CG 4.47Å; L444-L506 HydrophobicContact CD1-CD1 3.68Å
445V79.1Confident72.4Confident71 Ų7142.5 Ų42.543%0.4323%0.226SC..Hα-helixtrans-64.3-44.6173.7167.80000110.5F441 S442 S443 L447 S448 F449F441-V445 VanDerWaalsContact O-CB 3.32Å; F441-V445 WeakPolarHBondContact O-CB 3.45Å; F441-V445 WeakPolarHBondContact O-CG2 3.39Å; F441-V445 PolarHBondContact O-N 3.43Å; S442-V445 PolarHBondContact O-N 3.35Å; S443-V445 VanDerWaalsContact C-N 3.34Å; S443-V445 PolarHBondContact O-N 3.43Å; V445-L447 VanDerWaalsContact C-N 3.35Å; V445-L447 PolarHBondContact O-N 2.83Å; V445-S448 PolarHBondContact O-N 2.93Å; V445-S448 PolarHBondContact O-OG 3.35Å; V445-F449 HydrophobicContact CG1-CD2 3.62Å; V445-F449 HydrophobicContact CG1-CE2 3.27Å; V445-F449 HydrophobicContact CG1-CZ 4.35Å; V445-F449 WeakPolarHBondContact O-CD2 3.38Å; V445-F449 PolarHBondContact O-N 3.31Å
446L75.1Confident71.5Confident66 Ų6645.6 Ų45.635%0.34623%0.233SC..Hα-helixtrans-62.1-42.6175.9-176.959.6000111.8A237 S442 S443 F449 I450A237-L446 HydrophobicContact CB-CB 4.36Å; A237-L446 HydrophobicContact CB-CD2 3.71Å; A237-L446 HydrophobicContact CB-CG 4.11Å; S442-L446 WeakPolarHBondContact O-CB 3.46Å; S442-L446 PolarHBondContact O-N 3.27Å; S443-L446 PolarHBondContact O-N 2.85Å; L446-F449 WeakPolarHBondContact O-CB 3.47Å; L446-F449 PolarHBondContact O-N 3.01Å; L446-I450 HydrophobicContact CG-CD1 4.21Å; L446-I450 VanDerWaalsContact O-CG1 3.29Å; L446-I450 WeakPolarHBondContact O-CG1 3.42Å; L446-I450 PolarHBondContact O-N 3.36Å
447L73.2Confident70.5Confident2 Ų248.9 Ų48.91%0.0125%0.25CS..Hα-helixtrans-62.8-43.7175.1-73.9166.1000111.3L233 A237 S443 L444 V445 F449 I450 A451 F491 T495 I499L233-L447 HydrophobicContact CD2-CD1 3.99Å; A237-L447 HydrophobicContact CB-CD2 4.11Å; A237-L447 HydrophobicContact CB-CG 3.94Å; S443-L447 WeakPolarHBondContact O-CB 3.3Å; S443-L447 VanDerWaalsContact O-CG 3.3Å; S443-L447 WeakPolarHBondContact O-CG 3.33Å; S443-L447 PolarHBondContact O-N 3.33Å; L444-L447 PolarHBondContact O-N 3.18Å; V445-L447 VanDerWaalsContact C-N 3.35Å; V445-L447 PolarHBondContact O-N 2.83Å; L447-F449 VanDerWaalsContact C-N 3.31Å; L447-F449 PolarHBondContact O-N 3.39Å; L447-I450 WeakPolarHBondContact O-CB 2.94Å; L447-I450 PolarHBondContact O-N 3.39Å; L447-I450 VanDerWaalsContact O-N 3.13Å; L447-A451 PolarHBondContact O-N 3.36Å; L447-F491 HydrophobicContact CB-CE1 4.45Å; L447-F491 HydrophobicContact CB-CZ 4.4Å; L447-F491 HydrophobicContact CD2-CE1 4.12Å; L447-F491 VanDerWaalsContact O-CZ 3.23Å; L447-F491 WeakPolarHBondContact O-CZ 3.48Å; L447-T495 HydrophobicContact CD2-CG2 3.72Å; L447-I499 HydrophobicContact CB-CD1 4.49Å; L447-I499 HydrophobicContact CD1-CD1 4.03Å; L447-I499 HydrophobicContact CD1-CG1 3.73Å
448S74.2Confident69.1Low36 Ų3649.5 Ų49.525%0.25226%0.255SS..Hα-helixtrans-62.7-38.9176.575.40000111.7L444 V445 I450 A451 I452L444-S448 WeakPolarHBondContact O-CB 3.35Å; L444-S448 PolarHBondContact O-N 3.19Å; V445-S448 PolarHBondContact O-N 2.93Å; V445-S448 PolarHBondContact O-OG 3.35Å; S448-I450 PolarHBondContact O-N 3.36Å; S448-A451 WeakPolarHBondContact O-CB 3.38Å; S448-A451 PolarHBondContact O-N 3.3Å; S448-I452 VanDerWaalsContact O-CG1 3.25Å; S448-I452 WeakPolarHBondContact O-CG1 3.37Å; S448-I452 PolarHBondContact O-N 3.09Å
449F69.7Low67.3Low69 Ų6953 Ų5330%0.30326%0.263SS..Hα-helixtrans-61-42.9171.6-79.3-61000112.7F310 F314 V445 L446 L447 A451 I452 Q453F310-F449 HydrophobicContact CE1-CE1 4.33Å; F314-F449 HydrophobicContact CD2-CE1 4.17Å; F314-F449 HydrophobicContact CE2-CE1 4.29Å; F314-F449 HydrophobicContact CE2-CZ 4.46Å; V445-F449 HydrophobicContact CG1-CD2 3.62Å; V445-F449 HydrophobicContact CG1-CE2 3.27Å; V445-F449 HydrophobicContact CG1-CZ 4.35Å; V445-F449 WeakPolarHBondContact O-CD2 3.38Å; V445-F449 PolarHBondContact O-N 3.31Å; L446-F449 WeakPolarHBondContact O-CB 3.47Å; L446-F449 PolarHBondContact O-N 3.01Å; L447-F449 VanDerWaalsContact C-N 3.31Å; L447-F449 PolarHBondContact O-N 3.39Å; F449-A451 VanDerWaalsContact C-N 3.34Å; F449-I452 PolarHBondContact O-N 2.92Å; F449-Q453 WeakPolarHBondContact O-CG 3.39Å; F449-Q453 PolarHBondContact O-N 2.85Å
450I67.9Low65.2Low4 Ų457.3 Ų57.32%0.02129%0.285CS..Hα-helixtrans-62.7-42.2175.8-67.2163.6000110.4A237 E240 L446 L447 S448 Q453 K454 F491A237-I450 WeakPolarHBondContact O-CD1 3.48Å; E240-I450 HydrophobicContact CB-CD1 4.1Å; E240-I450 HydrophobicContact CB-CG2 4.33Å; L446-I450 HydrophobicContact CG-CD1 4.21Å; L446-I450 VanDerWaalsContact O-CG1 3.29Å; L446-I450 WeakPolarHBondContact O-CG1 3.42Å; L446-I450 PolarHBondContact O-N 3.36Å; L447-I450 WeakPolarHBondContact O-CB 2.94Å; L447-I450 PolarHBondContact O-N 3.39Å; L447-I450 VanDerWaalsContact O-N 3.13Å; S448-I450 PolarHBondContact O-N 3.36Å; I450-Q453 PolarHBondContact O-N 2.99Å; I450-K454 HydrophobicContact CG2-CD 4.38Å; I450-K454 PolarHBondContact O-N 3.49Å; I450-F491 HydrophobicContact CG2-CE1 4.36Å
451A67.3Low63.2Low9 Ų962.7 Ų62.77%0.07431%0.31CS..Hα-helixtrans-58.6-48.1174.300000112.4L447 S448 F449 Q453 K454 S455 I490 F491L447-A451 PolarHBondContact O-N 3.36Å; S448-A451 WeakPolarHBondContact O-CB 3.38Å; S448-A451 PolarHBondContact O-N 3.3Å; F449-A451 VanDerWaalsContact C-N 3.34Å; A451-Q453 VanDerWaalsContact C-N 3.26Å; A451-Q453 PolarHBondContact O-N 3.08Å; A451-K454 PolarHBondContact O-N 3.18Å; A451-S455 WeakPolarHBondContact O-CB 3.3Å; A451-S455 PolarHBondContact O-N 2.83Å; A451-S455 PolarHBondContact O-OG 3.45Å; A451-I490 HydrophobicContact CB-CG2 3.69Å; A451-F491 HydrophobicContact CB-CE1 4.29Å; A451-F491 HydrophobicContact CB-CE2 3.72Å; A451-F491 HydrophobicContact CB-CZ 3.36Å
452I64.2Low60.9Low17 Ų1760.8 Ų60.89%0.08731%0.311CS..Hα-helixtrans-60.2-39.5179-67.8162.9000110.9F314 Y323 S448 F449 S455 R456F314-I452 HydrophobicContact CD2-CD1 4.44Å; F314-I452 HydrophobicContact CE2-CD1 4.29Å; Y323-I452 HydrophobicContact CE2-CG1 4.13Å; Y323-I452 WeakPolarHBondContact OH-CG1 3.47Å; S448-I452 VanDerWaalsContact O-CG1 3.25Å; S448-I452 WeakPolarHBondContact O-CG1 3.37Å; S448-I452 PolarHBondContact O-N 3.09Å; F449-I452 PolarHBondContact O-N 2.92Å; I452-S455 PolarHBondContact O-OG 3.25Å; I452-R456 VanDerWaalsContact O-CG 3.32Å; I452-R456 WeakPolarHBondContact O-CG 3.38Å; I452-R456 PolarHBondContact O-N 3.22Å; I452-R456 VanDerWaalsContact O-N 3.15Å
453Q63.1Low58.6Low59 Ų5961.4 Ų61.428%0.27631%0.314SS..Hα-helixtrans-71.3-41178.9-72175.4-8.900112R244 F449 I450 A451 R456 I457R244-Q453 VanDerWaalsContact CZ-OE1 3.29Å; R244-Q453 VanDerWaalsContact NH1-CD 3.31Å; F449-Q453 WeakPolarHBondContact O-CG 3.39Å; F449-Q453 PolarHBondContact O-N 2.85Å; I450-Q453 PolarHBondContact O-N 2.99Å; A451-Q453 VanDerWaalsContact C-N 3.26Å; A451-Q453 PolarHBondContact O-N 3.08Å; Q453-R456 PolarHBondContact O-N 3.43Å; Q453-I457 WeakPolarHBondContact O-CG1 3.28Å; Q453-I457 PolarHBondContact O-N 2.88Å; Q453-I457 VanDerWaalsContact O-N 3.16Å
454K63.6Low56.4Low51 Ų5164.9 Ų64.922%0.22234%0.338CS..Hα-helixtrans-63.9-42.3175.1-76.5-174.2-178.9-176.80111.8E240 I450 A451 R456 I457 L458 I490E240-K454 IonicContact OE2-NZ 2.93Å; E240-K454 PolarHBondContact OE2-NZ 3.4Å; I450-K454 HydrophobicContact CG2-CD 4.38Å; I450-K454 PolarHBondContact O-N 3.49Å; A451-K454 PolarHBondContact O-N 3.18Å; K454-R456 VanDerWaalsContact C-N 3.33Å; K454-R456 PolarHBondContact O-N 3.13Å; K454-I457 PolarHBondContact O-N 2.88Å; K454-L458 PolarHBondContact O-N 2.74Å; K454-I490 HydrophobicContact CB-CG2 4.46Å; K454-I490 WeakPolarHBondContact CD-O 3.04Å; K454-I490 PolarHBondContact NZ-O 2.95Å
455S58.7Low54.1Low49 Ų4968.7 Ų68.734%0.34336%0.359SS..Hα-helixtrans-64-37.9178.367.40000112.3A451 I452 L458 Y459A451-S455 WeakPolarHBondContact O-CB 3.3Å; A451-S455 PolarHBondContact O-N 2.83Å; A451-S455 PolarHBondContact O-OG 3.45Å; I452-S455 PolarHBondContact O-OG 3.25Å; S455-L458 PolarHBondContact O-N 2.82Å; S455-Y459 WeakPolarHBondContact O-CB 3.35Å; S455-Y459 PolarHBondContact O-N 3.21Å
456R54.6Low51.9Low132 Ų13270.1 Ų70.150%0.49837%0.37SS..Hα-helixtrans-63.3-41.7173.6-76178.1178.2-167.3-0.8113.1I452 Q453 K454 Y459 L460I452-R456 VanDerWaalsContact O-CG 3.32Å; I452-R456 WeakPolarHBondContact O-CG 3.38Å; I452-R456 PolarHBondContact O-N 3.22Å; I452-R456 VanDerWaalsContact O-N 3.15Å; Q453-R456 PolarHBondContact O-N 3.43Å; K454-R456 VanDerWaalsContact C-N 3.33Å; K454-R456 PolarHBondContact O-N 3.13Å; R456-Y459 PolarHBondContact O-N 3.16Å; R456-L460 PolarHBondContact O-N 2.97Å
457I52.3Low49.9Very low68 Ų6874.8 Ų74.835%0.34939%0.389SS..Hα-helixtrans-65.3-43.6177.7-66.2165000110.2Q453 K454 Y459 L460 H461Q453-I457 WeakPolarHBondContact O-CG1 3.28Å; Q453-I457 PolarHBondContact O-N 2.88Å; Q453-I457 VanDerWaalsContact O-N 3.16Å; K454-I457 PolarHBondContact O-N 2.88Å; I457-Y459 VanDerWaalsContact C-N 3.31Å; I457-Y459 PolarHBondContact O-N 3.1Å; I457-L460 PolarHBondContact O-N 3.21Å; I457-H461 PolarHBondContact O-N 3.4Å
458L44.6Very low48.1Very low54 Ų5480.6 Ų80.628%0.28342%0.42SS..Hα-helixtrans-59.8-40.6174-102.1122.1000112.1K454 S455 H461 C462K454-L458 PolarHBondContact O-N 2.74Å; S455-L458 PolarHBondContact O-N 2.82Å; L458-H461 PolarHBondContact O-N 3.04Å; L458-C462 PolarHBondContact O-N 3.46Å
459Y39.9Very low46.2Very low170 Ų17084.5 Ų84.567%0.66744%0.437SS*.Hα-helixtrans-66.5-43.6177.4-166.2-93.9000112.1S455 R456 I457 H461 C462 C463S455-Y459 WeakPolarHBondContact O-CB 3.35Å; S455-Y459 PolarHBondContact O-N 3.21Å; R456-Y459 PolarHBondContact O-N 3.16Å; I457-Y459 VanDerWaalsContact C-N 3.31Å; I457-Y459 PolarHBondContact O-N 3.1Å; Y459-H461 VanDerWaalsContact C-N 3.31Å; Y459-H461 PolarHBondContact O-N 3.23Å; Y459-C462 PolarHBondContact O-N 3.15Å; Y459-C463 PolarHBondContact O-N 3.24Å
460L34.4Very low44.5Very low130 Ų13090.1 Ų90.168%0.68146%0.464SS*.Hα-helixtrans-61.8-38.1176.9-118.7101.4000112.4R456 I457 C462 C463 S464R456-L460 PolarHBondContact O-N 2.97Å; I457-L460 PolarHBondContact O-N 3.21Å; L460-C462 VanDerWaalsContact C-N 3.32Å; L460-C463 PolarHBondContact O-N 3.5Å; L460-S464 PolarHBondContact O-N 3.01Å; L460-S464 PolarHBondContact O-OG 2.89Å
461H33.8Very low42.9Very low119 Ų11998.9 Ų98.955%0.55151%0.505SS*.Hα-helixtrans-70.5-26177.4-108.5-64.9000113.5I457 L458 Y459 S464I457-H461 PolarHBondContact O-N 3.4Å; L458-H461 PolarHBondContact O-N 3.04Å; Y459-H461 VanDerWaalsContact C-N 3.31Å; Y459-H461 PolarHBondContact O-N 3.23Å; H461-S464 WeakPolarHBondContact CA-OG 3.42Å; H461-S464 PolarHBondContact O-OG 3.45Å
462C30.3Very low41.1Very low78 Ų78108.4 Ų108.453%0.52754%0.539SS..Hα-helixtrans-80.1-25175.8-810000113.4L458 Y459 L460L458-C462 PolarHBondContact O-N 3.46Å; Y459-C462 PolarHBondContact O-N 3.15Å; L460-C462 VanDerWaalsContact C-N 3.32Å
463C30.7Very low39.5Very low78 Ų78120.2 Ų120.253%0.52758%0.582SS.*Hα-helixtrans-97.3-5.5-178.7-650000114.1Y459 L460 N465Y459-C463 PolarHBondContact O-N 3.24Å; L460-C463 PolarHBondContact O-N 3.5Å; C463-N465 PolarHBondContact O-N 3.23Å
464S29Very low38Very low74 Ų74121 Ų12152%0.51759%0.588SS.*SBendtrans-87.6104.9177.128.90000111L460 H461L460-S464 PolarHBondContact O-N 3.01Å; L460-S464 PolarHBondContact O-OG 2.89Å; H461-S464 WeakPolarHBondContact CA-OG 3.42Å; H461-S464 PolarHBondContact O-OG 3.45Å
465N29.6Very low36.4Very low107 Ų107124.3 Ų124.357%0.57261%0.607SS**  trans79.483171.6-82.7-21.6000119.9C463C463-N465 PolarHBondContact O-N 3.23Å
466P32.7Very low35.2Very low101 Ų101126.8 Ų126.866%0.65662%0.622SS**SBendtrans-77.5-18157.3-7.824.9000114
467H34.1Very low34.1Very low163 Ų163128.9 Ų128.976%0.75564%0.635SS**SBendtrans-101.1-8.2-161.4-89.5-64.2000117.5
468N35.1Very low32.9Very low125 Ų125131.6 Ų131.667%0.66865%0.648SS**SBendtrans-103.212.8-177.4-78.5-7.4000115
469I34.4Very low32.2Very low118 Ų118134.3 Ų134.361%0.60566%0.662SS**SBendtrans-88.3-11-172.9-63.3174.6000112.8
470H34.7Very low31.7Very low187 Ų187132.2 Ų132.287%0.86666%0.658SS**SBendtrans-88.9-2.3-170.8-88.7-63.5000117.4
471Q33.3Very low31.5Very low188 Ų188129.1 Ų129.188%0.87965%0.647SS**SBendtrans-133.57.4-165.5-117.7164.5-4.800118.1
472R30.7Very low31.3Very low209 Ų209130.5 Ų130.579%0.78965%0.652SS**  trans-124.1125.3168.2-70.3-173.9-168-175.23.4109.1I474R472-I474 HydrophobicContact CB-CD1 3.93Å; R472-I474 HydrophobicContact CB-CG1 3.64Å; R472-I474 WeakPolarHBondContact O-CG1 3.37Å; R472-I474 PolarHBondContact O-N 3.06Å
473R30.3Very low31.2Very low265 Ų265129.9 Ų129.9100%165%0.648SS**  trans-55.488.2158.2-84.1-179178.9171.3-0.2106.9
474I31.7Very low31.2Very low76 Ų76129.6 Ų129.639%0.3965%0.647SS.*  trans-99.4121.5177.7-67.4167.6000106R472 M478R472-I474 HydrophobicContact CB-CD1 3.93Å; R472-I474 HydrophobicContact CB-CG1 3.64Å; R472-I474 WeakPolarHBondContact O-CG1 3.37Å; R472-I474 PolarHBondContact O-N 3.06Å; I474-M478 HydrophobicContact CG2-CB 3.62Å; I474-M478 HydrophobicContact CG2-CG 4.23Å; I474-M478 HydrophobicContact CG2-SD 3.74Å
475D30.2Very low31.3Very low119 Ų119129.8 Ų129.864%0.63664%0.641SS**  trans-44.9137.8177.8-89.1-41.7000112.3K477 M478D475-K477 PolarHBondContact O-N 2.9Å; D475-M478 PolarHBondContact O-N 3.44Å
476P32.8Very low31.2Very low101 Ų101134.2 Ų134.266%0.65665%0.65SS**Hα-helixtrans-58.6-17.7176.321.3-30.4000113.3M478P476-M478 VanDerWaalsContact C-N 3.35Å
477K30.9Very low31.4Very low176 Ų176136.4 Ų136.477%0.76565%0.649SS**Hα-helixtrans-68.3-28.1172.2-73.1-178.6177.11760113.5D475D475-K477 PolarHBondContact O-N 2.9Å
478M28.3Very low31.7Very low126 Ų126133 Ų13362%0.62163%0.633SS**Hα-helixtrans-84.3-19.7180-147.4-175.9171.400112.4I474 D475 P476 S481I474-M478 HydrophobicContact CG2-CB 3.62Å; I474-M478 HydrophobicContact CG2-CG 4.23Å; I474-M478 HydrophobicContact CG2-SD 3.74Å; D475-M478 PolarHBondContact O-N 3.44Å; P476-M478 VanDerWaalsContact C-N 3.35Å; M478-S481 PolarHBondContact O-OG 2.89Å
479I29.5Very low32.4Very low111 Ų111130.1 Ų130.157%0.56962%0.621SS**Hα-helixtrans-76-29174.6-61.3174.7000111S481 K482 S483I479-S481 VanDerWaalsContact C-N 3.32Å; I479-S481 PolarHBondContact O-N 2.8Å; I479-K482 PolarHBondContact O-N 3.39Å; I479-S483 PolarHBondContact O-N 3.37Å
480Q29.4Very low33.5Very low126 Ų126126.5 Ų126.559%0.58960%0.602SS**Hα-helixtrans-62.7-35.5176-109.4175.9-8.600112.7S483 S484Q480-S483 PolarHBondContact O-N 3.49Å; Q480-S483 PolarHBondContact O-OG 2.94Å; Q480-S484 PolarHBondContact O-N 3.05Å
481S29.9Very low34.8Very low65 Ų65119 Ų11946%0.45557%0.567SS.*Hα-helixtrans-68.9-39.2178.170.80000112.4M478 I479 S483 S484M478-S481 PolarHBondContact O-OG 2.89Å; I479-S481 VanDerWaalsContact C-N 3.32Å; I479-S481 PolarHBondContact O-N 2.8Å; S481-S483 VanDerWaalsContact C-N 3.31Å; S481-S483 PolarHBondContact O-N 2.98Å; S481-S484 PolarHBondContact O-N 2.89Å; S481-S484 PolarHBondContact O-OG 2.76Å
482K28.7Very low36.2Very low148 Ų148111.3 Ų111.364%0.64353%0.533SS*.Hα-helixtrans-67.2-28.4174.9-77.4-176.5176.6178.80113.3I479I479-K482 PolarHBondContact O-N 3.39Å
483S28.6Very low37.7Very low64 Ų64103.4 Ų103.445%0.44851%0.505SS..Hα-helixtrans-74.6-23.4175.679.60000113.7I479 Q480 S481I479-S483 PolarHBondContact O-N 3.37Å; Q480-S483 PolarHBondContact O-N 3.49Å; Q480-S483 PolarHBondContact O-OG 2.94Å; S481-S483 VanDerWaalsContact C-N 3.31Å; S481-S483 PolarHBondContact O-N 2.98Å
484S30.2Very low39.5Very low72 Ų7291.8 Ų91.850%0.50346%0.463SS..Hα-helixtrans-72.6-29.817975.80000112.9Q480 S481 R486 K487Q480-S484 PolarHBondContact O-N 3.05Å; S481-S484 PolarHBondContact O-N 2.89Å; S481-S484 PolarHBondContact O-OG 2.76Å; S484-R486 VanDerWaalsContact C-N 3.3Å; S484-R486 PolarHBondContact O-N 3.5Å; S484-K487 PolarHBondContact O-N 3.06Å
485I32.4Very low41.4Very low78 Ų7888.1 Ų88.140%0.445%0.445SS..Hα-helixtrans-70.6-26.6-179.3-59.3170.3000111.4K487I485-K487 PolarHBondContact O-N 2.76Å
486R28.1Very low43.3Very low201 Ų20183.4 Ų83.476%0.75842%0.419SS*.THydrogen-bonded Turntrans-71.1-5.2177-83.5-173.4177.3177.50.4114.8S484S484-R486 VanDerWaalsContact C-N 3.3Å; S484-R486 PolarHBondContact O-N 3.5Å
487K35.6Very low45.3Very low147 Ų14778.7 Ų78.764%0.63939%0.388SS*.THydrogen-bonded Turntrans-119.321.7-170.9-66.9-175.4176.6-179.40114.6S484 I485 T489S484-K487 PolarHBondContact O-N 3.06Å; I485-K487 PolarHBondContact O-N 2.76Å; K487-T489 PolarHBondContact O-N 2.91Å
488Q41.8Very low47.4Very low90 Ų9070.4 Ų70.442%0.42135%0.352SS..  trans-81.9118.9178.9-70.1-173.3-1400111.4W369W369-Q488 VanDerWaalsContact CZ3-NE2 3.3Å
489T49.6Very low49.8Very low66 Ų6665.8 Ų65.841%0.40533%0.33SS..  trans-64.6136170.852.60000110.1T334 K487 F491T334-T489 HydrophobicContact CG2-CG2 3.25Å; K487-T489 PolarHBondContact O-N 2.91Å; T489-F491 PolarHBondContact O-N 2.84Å; T489-F491 VanDerWaalsContact O-N 3.16Å; T489-F491 PolarHBondContact OG1-O 3.29Å
490I56.3Low52.2Low41 Ų4161.9 Ų61.921%0.2131%0.312CS..SBendtrans-57.7-34.8-175.7-60.1172.5000111.7A451 K454A451-I490 HydrophobicContact CB-CG2 3.69Å; K454-I490 HydrophobicContact CB-CG2 4.46Å; K454-I490 WeakPolarHBondContact CD-O 3.04Å; K454-I490 PolarHBondContact NZ-O 2.95Å
491F61.6Low54.6Low31 Ų3156.1 Ų56.114%0.13629%0.285CS..SBendtrans-127.9152.3178.1-63.4-66.6000111.8L447 I450 A451 T489 T495 Q496 I499L447-F491 HydrophobicContact CB-CE1 4.45Å; L447-F491 HydrophobicContact CB-CZ 4.4Å; L447-F491 HydrophobicContact CD2-CE1 4.12Å; L447-F491 VanDerWaalsContact O-CZ 3.23Å; L447-F491 WeakPolarHBondContact O-CZ 3.48Å; I450-F491 HydrophobicContact CG2-CE1 4.36Å; A451-F491 HydrophobicContact CB-CE1 4.29Å; A451-F491 HydrophobicContact CB-CE2 3.72Å; A451-F491 HydrophobicContact CB-CZ 3.36Å; T489-F491 PolarHBondContact O-N 2.84Å; T489-F491 VanDerWaalsContact O-N 3.16Å; T489-F491 PolarHBondContact OG1-O 3.29Å; F491-T495 HydrophobicContact CB-CG2 4.08Å; F491-T495 HydrophobicContact CD1-CG2 3.85Å; F491-T495 HydrophobicContact CG-CG2 4.12Å; F491-Q496 HydrophobicContact CB-CG 3.84Å; F491-Q496 PolarHBondContact O-NE2 3.17Å; F491-I499 HydrophobicContact CD2-CD1 4.2Å; F491-I499 HydrophobicContact CE2-CD1 4.19Å; F491-I499 HydrophobicContact CG-CD1 4.47Å; F491-I499 HydrophobicContact CZ-CD1 4.47Å
492T62.9Low56.9Low25 Ų2553.1 Ų53.115%0.15326%0.264CS..  trans-65.6149.8170.157.20000111.1E240 P494 T495 Q496E240-T492 WeakPolarHBondContact OE1-CG2 3.42Å; E240-T492 PolarHBondContact OE1-N 3.47Å; E240-T492 PolarHBondContact OE1-OG1 3.07Å; T492-P494 VanDerWaalsContact C-CD 3.47Å; T492-T495 WeakPolarHBondContact O-CB 3.43Å; T492-T495 PolarHBondContact O-N 3.31Å; T492-T495 PolarHBondContact OG1-OG1 2.91Å; T492-Q496 PolarHBondContact O-N 3.48Å; T492-Q496 VanDerWaalsContact O-N 3.09Å
493E63.7Low59.4Low44 Ų4450.1 Ų50.121%0.20626%0.255CS..Hα-helixtrans-44.8-50178.5-176.8-170.5163.700113.8T495 Q496 L497 S601 L602E493-T495 VanDerWaalsContact C-N 3.34Å; E493-T495 PolarHBondContact O-N 3.13Å; E493-Q496 PolarHBondContact O-N 2.86Å; E493-L497 PolarHBondContact O-N 2.89Å; E493-L497 VanDerWaalsContact O-N 3.08Å; E493-S601 WeakPolarHBondContact OE1-CA 3.25Å; E493-S601 WeakPolarHBondContact OE1-CB 3.48Å; E493-S601 PolarHBondContact OE1-OG 3.3Å; E493-L602 PolarHBondContact OE1-N 3.04Å
494P68.1Low61.9Low20 Ų2049.8 Ų49.813%0.1325%0.247CC..Hα-helixtrans-67.3-33.7-18027.5-36.6000112.8R236 T492 Q496 L497 T498R236-P494 VanDerWaalsContact NH2-CB 3.26Å; T492-P494 VanDerWaalsContact C-CD 3.47Å; P494-Q496 VanDerWaalsContact C-N 3.34Å; P494-L497 WeakPolarHBondContact O-CB 3.4Å; P494-L497 PolarHBondContact O-N 3.39Å; P494-T498 VanDerWaalsContact O-CG2 3.3Å; P494-T498 WeakPolarHBondContact O-CG2 3.39Å; P494-T498 PolarHBondContact O-N 2.83Å; P494-T498 PolarHBondContact O-OG1 3.03Å
495T69.8Low64.2Low0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-63.2-42.7175.4-59.60000110.5R236 E240 L447 F491 T492 E493 L497 T498 I499R236-T495 HydrophobicContact CB-CG2 4.27Å; E240-T495 HydrophobicContact CG-CG2 4.22Å; E240-T495 PolarHBondContact OE1-OG1 3.36Å; E240-T495 VanDerWaalsContact OE1-OG1 3.07Å; L447-T495 HydrophobicContact CD2-CG2 3.72Å; F491-T495 HydrophobicContact CB-CG2 4.08Å; F491-T495 HydrophobicContact CD1-CG2 3.85Å; F491-T495 HydrophobicContact CG-CG2 4.12Å; T492-T495 WeakPolarHBondContact O-CB 3.43Å; T492-T495 PolarHBondContact O-N 3.31Å; T492-T495 PolarHBondContact OG1-OG1 2.91Å; E493-T495 VanDerWaalsContact C-N 3.34Å; E493-T495 PolarHBondContact O-N 3.13Å; T495-L497 PolarHBondContact O-N 3.35Å; T495-T498 WeakPolarHBondContact CA-OG1 3.38Å; T495-T498 PolarHBondContact O-N 3.47Å; T495-T498 PolarHBondContact O-OG1 3.2Å; T495-I499 HydrophobicContact CG2-CD1 3.9Å; T495-I499 HydrophobicContact CG2-CG1 4.49Å; T495-I499 VanDerWaalsContact O-CG1 3.27Å; T495-I499 WeakPolarHBondContact O-CG1 3.48Å; T495-I499 PolarHBondContact O-N 3.37Å
496Q70.4Confident66.4Low20 Ų2044.1 Ų44.19%0.09321%0.212CC..Hα-helixtrans-60.7-45.2175.6-62.4178.313.800111.8F491 T492 E493 P494 T498 I499 C500F491-Q496 HydrophobicContact CB-CG 3.84Å; F491-Q496 PolarHBondContact O-NE2 3.17Å; T492-Q496 PolarHBondContact O-N 3.48Å; T492-Q496 VanDerWaalsContact O-N 3.09Å; E493-Q496 PolarHBondContact O-N 2.86Å; P494-Q496 VanDerWaalsContact C-N 3.34Å; Q496-T498 PolarHBondContact O-N 3.07Å; Q496-I499 PolarHBondContact O-N 2.86Å; Q496-C500 PolarHBondContact O-N 2.94Å; Q496-C500 PolarHBondContact O-SG 3.05Å
497L74.8Confident68.9Low2 Ų238 Ų381%0.0120%0.196CC..Hα-helixtrans-57.4-47.3175.1-17774.9000111.6W170 L173 E493 P494 T495 I499 C500 L501 I596 L597 Q600W170-L497 HydrophobicContact CH2-CD2 4.32Å; W170-L497 HydrophobicContact CZ3-CD2 4.45Å; L173-L497 HydrophobicContact CD2-CD2 3.71Å; E493-L497 PolarHBondContact O-N 2.89Å; E493-L497 VanDerWaalsContact O-N 3.08Å; P494-L497 WeakPolarHBondContact O-CB 3.4Å; P494-L497 PolarHBondContact O-N 3.39Å; T495-L497 PolarHBondContact O-N 3.35Å; L497-I499 PolarHBondContact O-N 3.42Å; L497-C500 PolarHBondContact O-N 2.73Å; L497-L501 HydrophobicContact CD1-CD1 4.4Å; L497-L501 HydrophobicContact CG-CD1 4.03Å; L497-L501 WeakPolarHBondContact O-CB 3.47Å; L497-L501 WeakPolarHBondContact O-CG 3.42Å; L497-L501 PolarHBondContact O-N 3.34Å; L497-I596 HydrophobicContact CD1-CG2 3.79Å; L497-L597 HydrophobicContact CD1-CD2 4.01Å; L497-L597 HydrophobicContact CD1-CG 4.44Å; L497-L597 HydrophobicContact CD2-CD2 3.96Å; L497-Q600 HydrophobicContact CD1-CB 3.94Å
498T76.6Confident71.1Confident2 Ų231.2 Ų31.21%0.01217%0.167CC..Hα-helixtrans-65.7-36.5179.659.50000113T169 M232 L233 R236 P494 T495 Q496 G502T169-T498 HydrophobicContact CG2-CG2 4.42Å; M232-T498 HydrophobicContact CB-CG2 4.15Å; M232-T498 HydrophobicContact CE-CG2 3.74Å; L233-T498 WeakPolarHBondContact CD2-O 3.39Å; R236-T498 HydrophobicContact CG-CG2 4.1Å; P494-T498 VanDerWaalsContact O-CG2 3.3Å; P494-T498 WeakPolarHBondContact O-CG2 3.39Å; P494-T498 PolarHBondContact O-N 2.83Å; P494-T498 PolarHBondContact O-OG1 3.03Å; T495-T498 WeakPolarHBondContact CA-OG1 3.38Å; T495-T498 PolarHBondContact O-N 3.47Å; T495-T498 PolarHBondContact O-OG1 3.2Å; Q496-T498 PolarHBondContact O-N 3.07Å; T498-G502 PolarHBondContact O-N 3.11Å
499I77.7Confident72.6Confident29 Ų2927.3 Ų27.315%0.14915%0.149CC..Hα-helixtrans-64.4-48.5174.8-68.6164.9000110.1L233 L444 L447 F491 T495 Q496 L497 L501 G502 L503L233-I499 HydrophobicContact CD2-CG1 4.33Å; L444-I499 HydrophobicContact CD2-CG1 4.39Å; L444-I499 HydrophobicContact CD2-CG2 4.09Å; L447-I499 HydrophobicContact CB-CD1 4.49Å; L447-I499 HydrophobicContact CD1-CD1 4.03Å; L447-I499 HydrophobicContact CD1-CG1 3.73Å; F491-I499 HydrophobicContact CD2-CD1 4.2Å; F491-I499 HydrophobicContact CE2-CD1 4.19Å; F491-I499 HydrophobicContact CG-CD1 4.47Å; F491-I499 HydrophobicContact CZ-CD1 4.47Å; T495-I499 HydrophobicContact CG2-CD1 3.9Å; T495-I499 HydrophobicContact CG2-CG1 4.49Å; T495-I499 VanDerWaalsContact O-CG1 3.27Å; T495-I499 WeakPolarHBondContact O-CG1 3.48Å; T495-I499 PolarHBondContact O-N 3.37Å; Q496-I499 PolarHBondContact O-N 2.86Å; L497-I499 PolarHBondContact O-N 3.42Å; I499-L501 PolarHBondContact O-N 3.25Å; I499-G502 PolarHBondContact O-N 3.14Å; I499-L503 HydrophobicContact CG2-CD1 3.86Å; I499-L503 HydrophobicContact CG2-CG 4.36Å; I499-L503 WeakPolarHBondContact O-CB 3.34Å; I499-L503 WeakPolarHBondContact O-CG 3.47Å; I499-L503 PolarHBondContact O-N 2.72Å
500C79.1Confident73.9Confident28 Ų2830 Ų3019%0.18916%0.155CC..Hα-helixtrans-61.6-45.9179.1-71.60000111.9Q496 L497 M504 I596 Q600Q496-C500 PolarHBondContact O-N 2.94Å; Q496-C500 PolarHBondContact O-SG 3.05Å; L497-C500 PolarHBondContact O-N 2.73Å; C500-M504 WeakPolarHBondContact O-CB 3.1Å; C500-M504 VanDerWaalsContact O-CG 3.29Å; C500-M504 WeakPolarHBondContact O-CG 3.48Å; C500-M504 PolarHBondContact O-N 3.3Å; C500-I596 HydrophobicContact CB-CG2 3.92Å; C500-Q600 HydrophobicContact CB-CG 4.48Å
501L79.7Confident74.9Confident6 Ų628.1 Ų28.13%0.03115%0.146CC..Hα-helixtrans-62.6-42.6175.1-72.4170.4000111.3L173 L497 I499 M504 N505 T593 I596L173-L501 HydrophobicContact CD1-CD1 3.48Å; L173-L501 VanDerWaalsContact CD1-CD1 3.48Å; L497-L501 HydrophobicContact CD1-CD1 4.4Å; L497-L501 HydrophobicContact CG-CD1 4.03Å; L497-L501 WeakPolarHBondContact O-CB 3.47Å; L497-L501 WeakPolarHBondContact O-CG 3.42Å; L497-L501 PolarHBondContact O-N 3.34Å; I499-L501 PolarHBondContact O-N 3.25Å; L501-M504 PolarHBondContact O-N 2.88Å; L501-N505 WeakPolarHBondContact O-CB 3.43Å; L501-N505 PolarHBondContact O-N 3.47Å; L501-N505 PolarHBondContact O-ND2 2.88Å; L501-T593 HydrophobicContact CD2-CG2 4.24Å; L501-I596 HydrophobicContact CD2-CB 4.27Å; L501-I596 HydrophobicContact CD2-CD1 3.82Å; L501-I596 HydrophobicContact CD2-CG2 4.01Å; L501-I596 HydrophobicContact CG-CG2 3.99Å
502G78.4Confident75.3Confident1 Ų129.7 Ų29.71%0.0115%0.154CC..Hα-helixtrans-59.5-48.2177.600000113.3T498 I499 N505 L506T498-G502 PolarHBondContact O-N 3.11Å; I499-G502 PolarHBondContact O-N 3.14Å; G502-N505 PolarHBondContact O-N 3Å; G502-L506 WeakPolarHBondContact O-CG 3.22Å; G502-L506 PolarHBondContact O-N 3.42Å
503L80.9Confident75.7Confident85 Ų8533.3 Ų33.345%0.44517%0.167SC..Hα-helixtrans-64.6-45.5178.7-71.2172.8000112.1L444 I499 N505 L506 V507L444-L503 HydrophobicContact CD1-CD2 3.8Å; L444-L503 HydrophobicContact CD1-CG 4.48Å; L444-L503 HydrophobicContact CD2-CD2 4.44Å; L444-L503 HydrophobicContact CD2-CG 4.47Å; I499-L503 HydrophobicContact CG2-CD1 3.86Å; I499-L503 HydrophobicContact CG2-CG 4.36Å; I499-L503 WeakPolarHBondContact O-CB 3.34Å; I499-L503 WeakPolarHBondContact O-CG 3.47Å; I499-L503 PolarHBondContact O-N 2.72Å; L503-N505 VanDerWaalsContact C-N 3.32Å; L503-N505 PolarHBondContact O-N 2.93Å; L503-L506 PolarHBondContact O-N 3.36Å; L503-V507 WeakPolarHBondContact O-CG2 3.37Å; L503-V507 PolarHBondContact O-N 2.92Å
504M81.5Confident76.1Confident58 Ų5833.4 Ų33.429%0.28617%0.169SC..Hα-helixtrans-64.1-39.3179.4-69.5-61.3-58.900111.7C500 L501 V507 F508 F592 I596C500-M504 WeakPolarHBondContact O-CB 3.1Å; C500-M504 VanDerWaalsContact O-CG 3.29Å; C500-M504 WeakPolarHBondContact O-CG 3.48Å; C500-M504 PolarHBondContact O-N 3.3Å; L501-M504 PolarHBondContact O-N 2.88Å; M504-V507 PolarHBondContact O-N 3.27Å; M504-F508 HydrophobicContact CE-CE2 3.67Å; M504-F508 HydrophobicContact CE-CZ 4.21Å; M504-F508 WeakPolarHBondContact O-CD2 3.12Å; M504-F508 PolarHBondContact O-N 3.03Å; M504-F508 VanDerWaalsContact O-N 3.16Å; M504-F592 HydrophobicContact CE-CB 4.32Å; M504-F592 HydrophobicContact CE-CD1 4.19Å; M504-F592 HydrophobicContact CE-CD2 4.06Å; M504-F592 HydrophobicContact CE-CE2 4.49Å; M504-F592 HydrophobicContact CE-CG 3.9Å; M504-I596 HydrophobicContact CB-CD1 4.18Å; M504-I596 HydrophobicContact CG-CD1 3.8Å
505N78.4Confident76.1Confident6 Ų634.2 Ų34.23%0.03217%0.171CC..Hα-helixtrans-63.9-41174.8-79.3-64.3000112.5Y176 I229 L501 G502 L503 V507 F508 D509 R589Y176-N505 PolarHBondContact OH-ND2 3.22Å; Y176-N505 PolarHBondContact OH-OD1 2.98Å; I229-N505 HydrophobicContact CD1-CB 3.77Å; I229-N505 WeakPolarHBondContact CD1-ND2 3.24Å; L501-N505 WeakPolarHBondContact O-CB 3.43Å; L501-N505 PolarHBondContact O-N 3.47Å; L501-N505 PolarHBondContact O-ND2 2.88Å; G502-N505 PolarHBondContact O-N 3Å; L503-N505 VanDerWaalsContact C-N 3.32Å; L503-N505 PolarHBondContact O-N 2.93Å; N505-V507 VanDerWaalsContact C-N 3.31Å; N505-V507 PolarHBondContact O-N 3.48Å; N505-F508 PolarHBondContact O-N 3.45Å; N505-D509 VanDerWaalsContact O-CB 3.29Å; N505-D509 WeakPolarHBondContact O-CB 3.3Å; N505-D509 VanDerWaalsContact O-CG 3.24Å; N505-D509 PolarHBondContact O-N 3.24Å; N505-R589 WeakPolarHBondContact OD1-CG 3.49Å; N505-R589 PolarHBondContact OD1-NE 3.22Å; N505-R589 PolarHBondContact OD1-NH2 3.38Å
506L79.1Confident76Confident25 Ų2537.3 Ų37.313%0.13118%0.183CC..Hα-helixtrans-60-40.7174.3-78.4171.7000112.3F441 L444 G502 L503 D509 F510F441-L506 HydrophobicContact CE1-CD1 4.22Å; F441-L506 HydrophobicContact CE2-CD2 4.03Å; F441-L506 HydrophobicContact CZ-CD1 4.24Å; F441-L506 HydrophobicContact CZ-CD2 4.18Å; L444-L506 HydrophobicContact CD1-CD1 3.68Å; G502-L506 WeakPolarHBondContact O-CG 3.22Å; G502-L506 PolarHBondContact O-N 3.42Å; L503-L506 PolarHBondContact O-N 3.36Å; L506-D509 PolarHBondContact O-N 3.01Å; L506-F510 WeakPolarHBondContact O-CB 3.44Å; L506-F510 PolarHBondContact O-N 3.28Å
507V81.6Confident75.8Confident72 Ų7241.2 Ų41.244%0.43620%0.199SC..Hα-helixtrans-64.7-38.8178.8171.70000112.1L503 M504 N505 W585L503-V507 WeakPolarHBondContact O-CG2 3.37Å; L503-V507 PolarHBondContact O-N 2.92Å; M504-V507 PolarHBondContact O-N 3.27Å; N505-V507 VanDerWaalsContact C-N 3.31Å; N505-V507 PolarHBondContact O-N 3.48Å; V507-W585 HydrophobicContact CG1-CZ2 4.06Å; V507-W585 PolarHBondContact O-NE1 2.87Å
508F80.9Confident75.4Confident5 Ų545.6 Ų45.62%0.02222%0.217CC..Hα-helixtrans-78.3-36.5177.7-71.6-62.1000112.9M504 N505 F510 A511 W585 Q588 R589 F592M504-F508 HydrophobicContact CE-CE2 3.67Å; M504-F508 HydrophobicContact CE-CZ 4.21Å; M504-F508 WeakPolarHBondContact O-CD2 3.12Å; M504-F508 PolarHBondContact O-N 3.03Å; M504-F508 VanDerWaalsContact O-N 3.16Å; N505-F508 PolarHBondContact O-N 3.45Å; F508-F510 VanDerWaalsContact C-N 3.25Å; F508-F510 PolarHBondContact O-N 3.3Å; F508-A511 PolarHBondContact O-N 3.22Å; F508-W585 AromaticContact CD1-CD1 3.62Å; F508-W585 HydrophobicContact CD1-CD2 4.46Å; F508-W585 HydrophobicContact CD1-CG 4.25Å; F508-W585 AromaticContact CD1-NE1 3.49Å; F508-W585 WeakPolarHBondContact CD1-O 3.33Å; F508-W585 HydrophobicContact CE1-CD2 4.31Å; F508-W585 AromaticContact CE1-CE2 3.92Å; F508-W585 HydrophobicContact CE1-CG 4.5Å; F508-W585 HydrophobicContact CE1-CZ2 4.3Å; F508-W585 AromaticContact CE1-NE1 3.87Å; F508-Q588 HydrophobicContact CD1-CB 4.24Å; F508-Q588 HydrophobicContact CE1-CB 3.76Å; F508-Q588 HydrophobicContact CZ-CB 4.17Å; F508-R589 HydrophobicContact CB-CB 4.09Å; F508-R589 HydrophobicContact CB-CG 4.38Å; F508-R589 HydrophobicContact CG-CB 4.43Å; F508-F592 HydrophobicContact CE1-CE2 4.37Å; F508-F592 AromaticContact CE2-CD2 3.45Å; F508-F592 HydrophobicContact CE2-CD2 3.45Å; F508-F592 VanDerWaalsContact CE2-CD2 3.45Å; F508-F592 AromaticContact CE2-CE2 3.71Å; F508-F592 HydrophobicContact CE2-CE2 3.71Å; F508-F592 HydrophobicContact CE2-CG 4.43Å; F508-F592 AromaticContact CZ-CD2 3.58Å; F508-F592 HydrophobicContact CZ-CD2 3.58Å; F508-F592 AromaticContact CZ-CE2 3.29Å; F508-F592 HydrophobicContact CZ-CE2 3.29Å; F508-F592 HydrophobicContact CZ-CZ 4.28Å
509D74.4Confident74.7Confident8 Ų848.2 Ų48.24%0.04324%0.235CC..Hα-helixtrans-69.7-24.8176.7-70.7-14.2000111.8H437 N505 L506 A511 E512 F513 R589H437-D509 IonicContact CE1-OD2 2.72Å; H437-D509 PolarHBondContact CE1-OD2 2.88Å; N505-D509 VanDerWaalsContact O-CB 3.29Å; N505-D509 WeakPolarHBondContact O-CB 3.3Å; N505-D509 VanDerWaalsContact O-CG 3.24Å; N505-D509 PolarHBondContact O-N 3.24Å; L506-D509 PolarHBondContact O-N 3.01Å; D509-A511 PolarHBondContact O-N 3.32Å; D509-E512 WeakPolarHBondContact O-CB 3.31Å; D509-E512 PolarHBondContact O-N 3.33Å; D509-E512 VanDerWaalsContact O-N 3.08Å; D509-F513 PolarHBondContact O-N 3.15Å; D509-R589 IonicContact OD1-CZ 2.73Å; D509-R589 IonicContact OD1-NE 3.2Å; D509-R589 IonicContact OD1-NH1 3.4Å; D509-R589 PolarHBondContact OD1-NH1 3.29Å; D509-R589 IonicContact OD2-CZ 3.96Å; D509-R589 VanDerWaalsContact OD2-CZ 3.3Å; D509-R589 IonicContact OD2-NH1 3.3Å; D509-R589 PolarHBondContact OD2-NH1 2.71Å; D509-R589 IonicContact OD2-NH2 3.02Å; D509-R589 PolarHBondContact OD2-NH2 3.47Å
510F76.2Confident74.1Confident122 Ų12251 Ų5154%0.53525%0.246SC..Hα-helixtrans-58.8-31.8173.8-169.9-115.1000112.9L506 F508 F513 I514L506-F510 WeakPolarHBondContact O-CB 3.44Å; L506-F510 PolarHBondContact O-N 3.28Å; F508-F510 VanDerWaalsContact C-N 3.25Å; F508-F510 PolarHBondContact O-N 3.3Å; F510-F513 HydrophobicContact CE2-CD1 4.42Å; F510-F513 WeakPolarHBondContact O-CB 3.24Å; F510-F513 PolarHBondContact O-N 3.44Å; F510-I514 HydrophobicContact CD1-CD1 3.5Å; F510-I514 HydrophobicContact CD1-CG1 4.15Å; F510-I514 HydrophobicContact CE1-CD1 3.42Å; F510-I514 VanDerWaalsContact CE1-CD1 3.42Å; F510-I514 HydrophobicContact CE1-CG1 3.94Å; F510-I514 HydrophobicContact CG-CD1 4.36Å; F510-I514 HydrophobicContact CZ-CD1 4.2Å; F510-I514 HydrophobicContact CZ-CG1 4.24Å; F510-I514 WeakPolarHBondContact O-CG1 3.36Å; F510-I514 PolarHBondContact O-N 3.25Å
511A76.3Confident73.4Confident2 Ų254.3 Ų54.32%0.01726%0.257CS..Hα-helixtrans-66.3-36.7175.700000112.6F508 D509 F513 I514 E515 L582 W585F508-A511 PolarHBondContact O-N 3.22Å; D509-A511 PolarHBondContact O-N 3.32Å; A511-F513 VanDerWaalsContact C-N 3.31Å; A511-I514 PolarHBondContact O-N 3.09Å; A511-E515 PolarHBondContact O-N 3.35Å; A511-L582 HydrophobicContact CB-CB 4.39Å; A511-L582 HydrophobicContact CB-CD2 3.8Å; A511-W585 HydrophobicContact CB-CB 4.17Å; A511-W585 VanDerWaalsContact CB-CD1 3.44Å; A511-W585 HydrophobicContact CB-CG 4.08Å
512E71.2Confident72.6Confident64 Ų6455.3 Ų55.330%0.29926%0.263SS..Hα-helixtrans-66.6-36.4173.5-62.4-161.3159.200111.3K222 D509 E515 W516K222-E512 VanDerWaalsContact CE-OE2 3.31Å; K222-E512 WeakPolarHBondContact CE-OE2 3.18Å; K222-E512 IonicContact NZ-OE1 3.48Å; K222-E512 PolarHBondContact NZ-OE1 2.79Å; K222-E512 IonicContact NZ-OE2 3.96Å; K222-E512 PolarHBondContact NZ-OE2 2.96Å; D509-E512 WeakPolarHBondContact O-CB 3.31Å; D509-E512 PolarHBondContact O-N 3.33Å; D509-E512 VanDerWaalsContact O-N 3.08Å; E512-E515 PolarHBondContact O-N 2.92Å; E512-W516 VanDerWaalsContact O-CB 3.26Å; E512-W516 WeakPolarHBondContact O-CB 3.34Å; E512-W516 PolarHBondContact O-N 3.35Å
513F71Confident71.7Confident100 Ų10056.8 Ų56.844%0.43927%0.271SS..Hα-helixtrans-65-41.5175.3-173.8-96000111.9D509 F510 A511 W516 F517D509-F513 PolarHBondContact O-N 3.15Å; F510-F513 HydrophobicContact CE2-CD1 4.42Å; F510-F513 WeakPolarHBondContact O-CB 3.24Å; F510-F513 PolarHBondContact O-N 3.44Å; A511-F513 VanDerWaalsContact C-N 3.31Å; F513-W516 HydrophobicContact CD2-CE3 4.34Å; F513-W516 HydrophobicContact CE2-CE3 4.09Å; F513-W516 HydrophobicContact CE2-CZ3 4.12Å; F513-W516 HydrophobicContact CZ-CZ3 4.42Å; F513-W516 WeakPolarHBondContact O-CB 3.47Å; F513-W516 PolarHBondContact O-N 3.12Å; F513-F517 WeakPolarHBondContact O-CB 2.89Å; F513-F517 PolarHBondContact O-N 3.39Å
514I71.8Confident70.6Confident47 Ų4755.4 Ų55.424%0.24127%0.267CS..Hα-helixtrans-62.9-49.2174.5-67.9163.7000110.4F510 A511 W516 F517 Y518 L582F510-I514 HydrophobicContact CD1-CD1 3.5Å; F510-I514 HydrophobicContact CD1-CG1 4.15Å; F510-I514 HydrophobicContact CE1-CD1 3.42Å; F510-I514 VanDerWaalsContact CE1-CD1 3.42Å; F510-I514 HydrophobicContact CE1-CG1 3.94Å; F510-I514 HydrophobicContact CG-CD1 4.36Å; F510-I514 HydrophobicContact CZ-CD1 4.2Å; F510-I514 HydrophobicContact CZ-CG1 4.24Å; F510-I514 WeakPolarHBondContact O-CG1 3.36Å; F510-I514 PolarHBondContact O-N 3.25Å; A511-I514 PolarHBondContact O-N 3.09Å; I514-W516 VanDerWaalsContact C-N 3.25Å; I514-W516 PolarHBondContact O-N 2.84Å; I514-F517 WeakPolarHBondContact O-CB 3.5Å; I514-F517 PolarHBondContact O-N 2.69Å; I514-F517 VanDerWaalsContact O-N 3.11Å; I514-Y518 HydrophobicContact CG2-CD2 3.47Å; I514-Y518 VanDerWaalsContact CG2-CD2 3.47Å; I514-Y518 HydrophobicContact CG2-CE2 3.27Å; I514-Y518 WeakPolarHBondContact O-CD2 3.22Å; I514-Y518 PolarHBondContact O-N 3.42Å; I514-L582 HydrophobicContact CB-CD1 4.28Å; I514-L582 HydrophobicContact CB-CD2 4.28Å; I514-L582 HydrophobicContact CD1-CD2 4.31Å; I514-L582 HydrophobicContact CG2-CD1 3.67Å; I514-L582 HydrophobicContact CG2-CD2 4.16Å
515E67.8Low69.4Low36 Ų3657.3 Ų57.317%0.16828%0.278CS..Hα-helixtrans-58.5-41.3177.2-174.5-179.8-170.400111A511 E512 F517 Y518 S519 S579 L582 R583A511-E515 PolarHBondContact O-N 3.35Å; E512-E515 PolarHBondContact O-N 2.92Å; E515-F517 PolarHBondContact O-N 3.27Å; E515-Y518 PolarHBondContact O-N 3.08Å; E515-S519 WeakPolarHBondContact O-CB 3.38Å; E515-S519 PolarHBondContact O-N 3.47Å; E515-S519 PolarHBondContact O-OG 3.29Å; E515-S579 PolarHBondContact OE1-OG 2.92Å; E515-S579 VanDerWaalsContact OE1-OG 3.07Å; E515-L582 HydrophobicContact CB-CD1 4.32Å; E515-R583 IonicContact OE1-CZ 3.95Å; E515-R583 IonicContact OE1-NE 2.95Å; E515-R583 PolarHBondContact OE1-NE 2.94Å; E515-R583 IonicContact OE1-NH2 3.35Å; E515-R583 PolarHBondContact OE1-NH2 3.27Å; E515-R583 IonicContact OE2-NE 2.84Å
516W67.6Low68.4Low66 Ų6661.6 Ų61.625%0.2530%0.295CS..Hα-helixtrans-60.7-45.4175.1177.968.4000112.2K429 E512 F513 I514 S519 K520 F521K429-W516 VanDerWaalsContact NZ-CD1 3.3Å; E512-W516 VanDerWaalsContact O-CB 3.26Å; E512-W516 WeakPolarHBondContact O-CB 3.34Å; E512-W516 PolarHBondContact O-N 3.35Å; F513-W516 HydrophobicContact CD2-CE3 4.34Å; F513-W516 HydrophobicContact CE2-CE3 4.09Å; F513-W516 HydrophobicContact CE2-CZ3 4.12Å; F513-W516 HydrophobicContact CZ-CZ3 4.42Å; F513-W516 WeakPolarHBondContact O-CB 3.47Å; F513-W516 PolarHBondContact O-N 3.12Å; I514-W516 VanDerWaalsContact C-N 3.25Å; I514-W516 PolarHBondContact O-N 2.84Å; W516-S519 PolarHBondContact O-N 3.45Å; W516-S519 PolarHBondContact O-OG 2.95Å; W516-K520 HydrophobicContact CZ2-CD 3.64Å; W516-K520 HydrophobicContact CZ2-CG 4.3Å; W516-K520 WeakPolarHBondContact O-CB 3.4Å; W516-K520 PolarHBondContact O-N 3.24Å; W516-K520 VanDerWaalsContact O-N 3.08Å; W516-F521 HydrophobicContact CH2-CE2 4.49Å; W516-F521 HydrophobicContact CZ3-CE2 4.44Å
517F66.8Low67.1Low101 Ų10161.7 Ų61.744%0.44330%0.296SS..Hα-helixtrans-60.9-47.2177.4-170.6-92.2000111.5F513 I514 E515 S519 K520 F521F513-F517 WeakPolarHBondContact O-CB 2.89Å; F513-F517 PolarHBondContact O-N 3.39Å; I514-F517 WeakPolarHBondContact O-CB 3.5Å; I514-F517 PolarHBondContact O-N 2.69Å; I514-F517 VanDerWaalsContact O-N 3.11Å; E515-F517 PolarHBondContact O-N 3.27Å; F517-S519 VanDerWaalsContact C-N 3.35Å; F517-S519 PolarHBondContact O-N 2.97Å; F517-K520 PolarHBondContact O-N 3.48Å; F517-F521 HydrophobicContact CD1-CD2 4.49Å; F517-F521 AromaticContact CD2-CD2 3.51Å; F517-F521 HydrophobicContact CD2-CD2 3.51Å; F517-F521 AromaticContact CD2-CE2 3.79Å; F517-F521 HydrophobicContact CD2-CE2 3.79Å; F517-F521 HydrophobicContact CE1-CB 4.49Å; F517-F521 AromaticContact CE2-CD2 3.56Å; F517-F521 HydrophobicContact CE2-CD2 3.56Å; F517-F521 AromaticContact CE2-CE2 3.85Å; F517-F521 HydrophobicContact CE2-CE2 3.85Å; F517-F521 HydrophobicContact CE2-CG 4.26Å; F517-F521 HydrophobicContact CG-CD2 4Å; F517-F521 HydrophobicContact CZ-CB 4.48Å; F517-F521 HydrophobicContact CZ-CD2 4.1Å; F517-F521 HydrophobicContact CZ-CG 4.41Å; F517-F521 PolarHBondContact O-N 3.37Å
518Y66Low65.8Low95 Ų9563.2 Ų63.237%0.37330%0.299SS..Iπ-helixtrans-58.9-45175.2-81.5-68.3000112I514 E515 K520 T522 I523 L582I514-Y518 HydrophobicContact CG2-CD2 3.47Å; I514-Y518 VanDerWaalsContact CG2-CD2 3.47Å; I514-Y518 HydrophobicContact CG2-CE2 3.27Å; I514-Y518 WeakPolarHBondContact O-CD2 3.22Å; I514-Y518 PolarHBondContact O-N 3.42Å; E515-Y518 PolarHBondContact O-N 3.08Å; Y518-K520 VanDerWaalsContact C-N 3.3Å; Y518-K520 PolarHBondContact O-N 3.41Å; Y518-T522 HydrophobicContact CD1-CG2 3.92Å; Y518-T522 HydrophobicContact CE1-CG2 4.4Å; Y518-T522 VanDerWaalsContact O-CB 3.28Å; Y518-T522 WeakPolarHBondContact O-CB 3.02Å; Y518-T522 PolarHBondContact O-N 3.43Å; Y518-T522 VanDerWaalsContact O-N 3.15Å; Y518-I523 PolarHBondContact O-N 3.43Å; Y518-I523 VanDerWaalsContact O-N 3.08Å; Y518-L582 HydrophobicContact CD2-CD1 4.39Å
519S63.2Low64.3Low56 Ų5665.1 Ų65.139%0.39231%0.313SS..Iπ-helixtrans-64.7-33-178.675.50000113.7E515 W516 F517 P524E515-S519 WeakPolarHBondContact O-CB 3.38Å; E515-S519 PolarHBondContact O-N 3.47Å; E515-S519 PolarHBondContact O-OG 3.29Å; W516-S519 PolarHBondContact O-N 3.45Å; W516-S519 PolarHBondContact O-OG 2.95Å; F517-S519 VanDerWaalsContact C-N 3.35Å; F517-S519 PolarHBondContact O-N 2.97Å; S519-P524 WeakPolarHBondContact O-CD 3.44Å
520K63.8Low63.1Low89 Ų8968.5 Ų68.539%0.38733%0.327SS..Iπ-helixtrans-94.2-37.5-172.6-85.9-135.4175.1-170.30114.2W516 F517 Y518 P524W516-K520 HydrophobicContact CZ2-CD 3.64Å; W516-K520 HydrophobicContact CZ2-CG 4.3Å; W516-K520 WeakPolarHBondContact O-CB 3.4Å; W516-K520 PolarHBondContact O-N 3.24Å; W516-K520 VanDerWaalsContact O-N 3.08Å; F517-K520 PolarHBondContact O-N 3.48Å; Y518-K520 VanDerWaalsContact C-N 3.3Å; Y518-K520 PolarHBondContact O-N 3.41Å; K520-P524 WeakPolarHBondContact O-CG 3.44Å
521F65Low61.8Low97 Ų9765.9 Ų65.943%0.42532%0.321SS..Iπ-helixtrans-106.3-42.7-173.6-65.3-75.3000111.2W516 F517 N525W516-F521 HydrophobicContact CH2-CE2 4.49Å; W516-F521 HydrophobicContact CZ3-CE2 4.44Å; F517-F521 HydrophobicContact CD1-CD2 4.49Å; F517-F521 AromaticContact CD2-CD2 3.51Å; F517-F521 HydrophobicContact CD2-CD2 3.51Å; F517-F521 AromaticContact CD2-CE2 3.79Å; F517-F521 HydrophobicContact CD2-CE2 3.79Å; F517-F521 HydrophobicContact CE1-CB 4.49Å; F517-F521 AromaticContact CE2-CD2 3.56Å; F517-F521 HydrophobicContact CE2-CD2 3.56Å; F517-F521 AromaticContact CE2-CE2 3.85Å; F517-F521 HydrophobicContact CE2-CE2 3.85Å; F517-F521 HydrophobicContact CE2-CG 4.26Å; F517-F521 HydrophobicContact CG-CD2 4Å; F517-F521 HydrophobicContact CZ-CB 4.48Å; F517-F521 HydrophobicContact CZ-CD2 4.1Å; F517-F521 HydrophobicContact CZ-CG 4.41Å; F517-F521 PolarHBondContact O-N 3.37Å; F521-N525 VanDerWaalsContact O-CB 3.23Å; F521-N525 WeakPolarHBondContact O-CB 3.43Å; F521-N525 PolarHBondContact O-N 3.46Å; F521-N525 PolarHBondContact O-ND2 3.33Å
522T61.9Low60.5Low26 Ų2671.5 Ų71.516%0.1635%0.347CS..Iπ-helixtrans-80.2-52-169.8-50.30000111.6Y518 N525 Y526 I575Y518-T522 HydrophobicContact CD1-CG2 3.92Å; Y518-T522 HydrophobicContact CE1-CG2 4.4Å; Y518-T522 VanDerWaalsContact O-CB 3.28Å; Y518-T522 WeakPolarHBondContact O-CB 3.02Å; Y518-T522 PolarHBondContact O-N 3.43Å; Y518-T522 VanDerWaalsContact O-N 3.15Å; T522-N525 PolarHBondContact O-N 3.2Å; T522-Y526 HydrophobicContact CG2-CD2 3.54Å; T522-Y526 HydrophobicContact CG2-CE2 3.11Å; T522-Y526 WeakPolarHBondContact O-CD2 3.19Å; T522-Y526 PolarHBondContact O-N 3.46Å; T522-I575 HydrophobicContact CG2-CD1 4.43Å
523I60.1Low59.4Low33 Ų3374 Ų7417%0.16936%0.362CS..Hα-helixtrans-62.5-48.4-177.9-59.7176.3000112.2Y518 N525 Y526 V527 I575Y518-I523 PolarHBondContact O-N 3.43Å; Y518-I523 VanDerWaalsContact O-N 3.08Å; I523-N525 PolarHBondContact O-N 3.29Å; I523-Y526 PolarHBondContact O-N 3.1Å; I523-V527 HydrophobicContact CG2-CG2 4.3Å; I523-V527 WeakPolarHBondContact O-CG2 3.34Å; I523-V527 PolarHBondContact O-N 3.1Å; I523-I575 HydrophobicContact CD1-CG2 4.2Å; I523-I575 HydrophobicContact CG1-CG2 4.26Å
524P57.8Low58Low56 Ų5672.5 Ų72.536%0.36436%0.358SS..Hα-helixtrans-66-38-178.5-23.837.9000112.8S519 K520 Y526 V527 Q528S519-P524 WeakPolarHBondContact O-CD 3.44Å; K520-P524 WeakPolarHBondContact O-CG 3.44Å; P524-Y526 VanDerWaalsContact C-N 3.34Å; P524-Y526 PolarHBondContact O-N 3.06Å; P524-V527 PolarHBondContact O-N 2.91Å; P524-Q528 VanDerWaalsContact O-CB 3.24Å; P524-Q528 WeakPolarHBondContact O-CB 3.18Å; P524-Q528 PolarHBondContact O-N 3.49Å
525N57.2Low56.3Low97 Ų9775.5 Ų75.552%0.51937%0.374SS..Hα-helixtrans-66.2-38.2177.4-69.6-5.9000111.5F521 T522 I523 S529F521-N525 VanDerWaalsContact O-CB 3.23Å; F521-N525 WeakPolarHBondContact O-CB 3.43Å; F521-N525 PolarHBondContact O-N 3.46Å; F521-N525 PolarHBondContact O-ND2 3.33Å; T522-N525 PolarHBondContact O-N 3.2Å; I523-N525 PolarHBondContact O-N 3.29Å; N525-S529 WeakPolarHBondContact O-CB 3.27Å; N525-S529 PolarHBondContact O-N 3.01Å; N525-S529 PolarHBondContact O-OG 3.24Å
526Y55.9Low54.8Low97 Ų9778.8 Ų78.838%0.3840%0.399SS..Hα-helixtrans-68.3-41.2174.5-74.5-51.1000113.1T522 I523 P524 S529 F530 I575T522-Y526 HydrophobicContact CG2-CD2 3.54Å; T522-Y526 HydrophobicContact CG2-CE2 3.11Å; T522-Y526 WeakPolarHBondContact O-CD2 3.19Å; T522-Y526 PolarHBondContact O-N 3.46Å; I523-Y526 PolarHBondContact O-N 3.1Å; P524-Y526 VanDerWaalsContact C-N 3.34Å; P524-Y526 PolarHBondContact O-N 3.06Å; Y526-S529 WeakPolarHBondContact CA-OG 3.4Å; Y526-S529 PolarHBondContact O-OG 3.42Å; Y526-F530 WeakPolarHBondContact O-CB 3.44Å; Y526-F530 PolarHBondContact O-N 3.34Å; Y526-I575 HydrophobicContact CD2-CD1 4.13Å; Y526-I575 HydrophobicContact CE2-CD1 4.23Å
527V53.6Low53.2Low27 Ų2783.1 Ų83.116%0.16443%0.427CS..Hα-helixtrans-66.5-40.9175.5174.40000110.8I523 P524 F530 T531 M572 I726I523-V527 HydrophobicContact CG2-CG2 4.3Å; I523-V527 WeakPolarHBondContact O-CG2 3.34Å; I523-V527 PolarHBondContact O-N 3.1Å; P524-V527 PolarHBondContact O-N 2.91Å; V527-F530 WeakPolarHBondContact O-CB 3.46Å; V527-F530 PolarHBondContact O-N 3.36Å; V527-T531 HydrophobicContact CG1-CG2 4.48Å; V527-T531 WeakPolarHBondContact O-CG2 3.3Å; V527-T531 PolarHBondContact O-N 3.47Å; V527-T531 PolarHBondContact O-OG1 3.42Å; V527-T531 VanDerWaalsContact O-OG1 3.09Å; V527-M572 HydrophobicContact CG2-CE 3.96Å; V527-I726 HydrophobicContact CB-CD1 4.17Å; V527-I726 HydrophobicContact CG1-CD1 3.8Å; V527-I726 HydrophobicContact CG1-CG1 4.09Å; V527-I726 HydrophobicContact CG1-CG2 4.24Å; V527-I726 HydrophobicContact CG2-CD1 3.77Å
528Q53.6Low51.5Low104 Ų10483 Ų8349%0.48643%0.43SS..Hα-helixtrans-63-48177.9-173.5174.1-0.800111.6P524 F530 T531 Q532P524-Q528 VanDerWaalsContact O-CB 3.24Å; P524-Q528 WeakPolarHBondContact O-CB 3.18Å; P524-Q528 PolarHBondContact O-N 3.49Å; Q528-F530 VanDerWaalsContact C-N 3.31Å; Q528-F530 PolarHBondContact O-N 3.33Å; Q528-T531 WeakPolarHBondContact CA-OG1 3.49Å; Q528-T531 PolarHBondContact O-N 2.89Å; Q528-T531 PolarHBondContact O-OG1 3.34Å; Q528-Q532 WeakPolarHBondContact O-CB 3.46Å; Q528-Q532 WeakPolarHBondContact O-CG 3.35Å; Q528-Q532 PolarHBondContact O-N 2.91Å
529S50.2Low49.7Very low45 Ų4585.8 Ų85.832%0.31545%0.452SS..Hα-helixtrans-61.3-37.2174.650.30000112.9N525 Y526 N533N525-S529 WeakPolarHBondContact O-CB 3.27Å; N525-S529 PolarHBondContact O-N 3.01Å; N525-S529 PolarHBondContact O-OG 3.24Å; Y526-S529 WeakPolarHBondContact CA-OG 3.4Å; Y526-S529 PolarHBondContact O-OG 3.42Å; S529-N533 WeakPolarHBondContact O-CB 3.48Å; S529-N533 VanDerWaalsContact O-CG 3.29Å; S529-N533 PolarHBondContact O-N 2.69Å; S529-N533 VanDerWaalsContact O-N 3.11Å; S529-N533 PolarHBondContact O-ND2 3.37Å
530F49.1Very low48.3Very low79 Ų7989.5 Ų89.535%0.34647%0.466SS..Hα-helixtrans-63-47.6172.6-177.8-97.1000111.9Y526 V527 Q528 Q532 N533 M534 L565Y526-F530 WeakPolarHBondContact O-CB 3.44Å; Y526-F530 PolarHBondContact O-N 3.34Å; V527-F530 WeakPolarHBondContact O-CB 3.46Å; V527-F530 PolarHBondContact O-N 3.36Å; Q528-F530 VanDerWaalsContact C-N 3.31Å; Q528-F530 PolarHBondContact O-N 3.33Å; F530-Q532 PolarHBondContact O-N 3.46Å; F530-N533 PolarHBondContact O-N 2.88Å; F530-M534 HydrophobicContact CD1-CG 4.43Å; F530-M534 HydrophobicContact CE1-CE 4.43Å; F530-M534 HydrophobicContact CE1-CG 4.1Å; F530-M534 HydrophobicContact CE2-CE 3.82Å; F530-M534 HydrophobicContact CE2-CG 4.33Å; F530-M534 HydrophobicContact CZ-CE 3.56Å; F530-M534 HydrophobicContact CZ-CG 4.05Å; F530-M534 WeakPolarHBondContact O-CB 3.22Å; F530-M534 WeakPolarHBondContact O-CG 3.38Å; F530-M534 PolarHBondContact O-N 3.22Å; F530-M534 VanDerWaalsContact O-N 3.1Å; F530-L565 HydrophobicContact CE2-CD1 3.87Å; F530-L565 HydrophobicContact CZ-CD1 4.25Å
531T48.8Very low46.7Very low67 Ų6791.9 Ų91.941%0.41148%0.483SS..Hα-helixtrans-65.7-35.4178.8500000113.3V527 Q528 M534 N535V527-T531 HydrophobicContact CG1-CG2 4.48Å; V527-T531 WeakPolarHBondContact O-CG2 3.3Å; V527-T531 PolarHBondContact O-N 3.47Å; V527-T531 PolarHBondContact O-OG1 3.42Å; V527-T531 VanDerWaalsContact O-OG1 3.09Å; Q528-T531 WeakPolarHBondContact CA-OG1 3.49Å; Q528-T531 PolarHBondContact O-N 2.89Å; Q528-T531 PolarHBondContact O-OG1 3.34Å; T531-M534 PolarHBondContact O-N 2.81Å; T531-N535 PolarHBondContact O-N 2.7Å; T531-N535 VanDerWaalsContact O-N 3.1Å
532Q49.2Very low45.1Very low119 Ų11994.8 Ų94.856%0.55650%0.498SS*.Hα-helixtrans-69.2-38.1177-75.2176-17.200112.1Q528 F530 M534Q528-Q532 WeakPolarHBondContact O-CB 3.46Å; Q528-Q532 WeakPolarHBondContact O-CG 3.35Å; Q528-Q532 PolarHBondContact O-N 2.91Å; F530-Q532 PolarHBondContact O-N 3.46Å; Q532-M534 VanDerWaalsContact C-N 3.31Å
533N47.4Very low43.6Very low116 Ų116101.5 Ų101.562%0.6253%0.533SS*.Hα-helixtrans-76.3-17.9177.4-70.5-17.5000113.4S529 F530S529-N533 WeakPolarHBondContact O-CB 3.48Å; S529-N533 VanDerWaalsContact O-CG 3.29Å; S529-N533 PolarHBondContact O-N 2.69Å; S529-N533 VanDerWaalsContact O-N 3.11Å; S529-N533 PolarHBondContact O-ND2 3.37Å; F530-N533 PolarHBondContact O-N 2.88Å
534M41.1Very low42.4Very low70 Ų70104 Ų10435%0.34555%0.546SS..Hα-helixtrans-97-11.4177.3-73.1-67.5-15000113.8F530 T531 Q532 P536 L565F530-M534 HydrophobicContact CD1-CG 4.43Å; F530-M534 HydrophobicContact CE1-CE 4.43Å; F530-M534 HydrophobicContact CE1-CG 4.1Å; F530-M534 HydrophobicContact CE2-CE 3.82Å; F530-M534 HydrophobicContact CE2-CG 4.33Å; F530-M534 HydrophobicContact CZ-CE 3.56Å; F530-M534 HydrophobicContact CZ-CG 4.05Å; F530-M534 WeakPolarHBondContact O-CB 3.22Å; F530-M534 WeakPolarHBondContact O-CG 3.38Å; F530-M534 PolarHBondContact O-N 3.22Å; F530-M534 VanDerWaalsContact O-N 3.1Å; T531-M534 PolarHBondContact O-N 2.81Å; Q532-M534 VanDerWaalsContact C-N 3.31Å; M534-P536 WeakPolarHBondContact O-CD 3.14Å; M534-L565 HydrophobicContact CE-CD1 4.35Å
535N36.6Very low41.2Very low109 Ų109107 Ų10758%0.58356%0.563SS**SBendtrans-76.5122.3176.8-94-8.3000110.4T531 N537T531-N535 PolarHBondContact O-N 2.7Å; T531-N535 VanDerWaalsContact O-N 3.1Å; N535-N537 PolarHBondContact O-N 3.43Å
536P37.1Very low40.2Very low106 Ų106107.3 Ų107.369%0.68856%0.563SS**  trans-73.390.5173.130.6-32000109.1M534 L538M534-P536 WeakPolarHBondContact O-CD 3.14Å; P536-L538 PolarHBondContact O-N 2.89Å
537N32.5Very low39.1Very low157 Ų157108.9 Ų108.984%0.8458%0.577SS**  trans-75.372.8162.4-83.2-9.9000108.6N535N535-N537 PolarHBondContact O-N 3.43Å
538L32.2Very low38.4Very low97 Ų97114.2 Ų114.251%0.50860%0.602SS.*  trans-132.189.5175.6-97154.7000110.8H62 P536 L540H62-L538 VanDerWaalsContact CE1-CD1 3.49Å; H62-L538 WeakPolarHBondContact CE1-CD1 3.31Å; P536-L538 PolarHBondContact O-N 2.89Å; L538-L540 VanDerWaalsContact C-N 3.3Å; L538-L540 HydrophobicContact CB-CD1 4.42Å; L538-L540 HydrophobicContact CD2-CD1 4.05Å; L538-L540 HydrophobicContact CD2-CG 4.06Å; L538-L540 PolarHBondContact O-N 3.26Å
539N28Very low37.7Very low155 Ų155114.4 Ų114.483%0.82961%0.611SS**  trans-77.285.2159.4-141.74.3000106.7N541N539-N541 PolarHBondContact O-N 3.43Å
540L34.3Very low37.2Very low133 Ų133115.9 Ų115.970%0.69661%0.613SS**  trans-80.549.5-168.1-132149.7000112.4L538L538-L540 VanDerWaalsContact C-N 3.3Å; L538-L540 HydrophobicContact CB-CD1 4.42Å; L538-L540 HydrophobicContact CD2-CD1 4.05Å; L538-L540 HydrophobicContact CD2-CG 4.06Å; L538-L540 PolarHBondContact O-N 3.26Å
541N28.6Very low36.7Very low139 Ų139117.5 Ų117.574%0.74362%0.621SS**  trans-112.912.3-177.4-98.83.7000114.4N539N539-N541 PolarHBondContact O-N 3.43Å
542H32.8Very low36.2Very low159 Ų159119.8 Ų119.874%0.73663%0.63SS**  trans-122.7113-178.8-77.58.4000112.6I544H542-I544 HydrophobicContact CB-CD1 3.86Å; H542-I544 HydrophobicContact CB-CG1 3.85Å; H542-I544 PolarHBondContact O-N 2.97Å; H542-I544 VanDerWaalsContact O-N 3.1Å
543N28.7Very low35.6Very low167 Ų167119.4 Ų119.489%0.89363%0.631SS**  trans-57.9102.5159.4-80.7-18.9000108.5
544I36.5Very low35.1Very low86 Ų86118 Ų11844%0.44162%0.623SS.*  trans-131.8113.6174.2-51.2178.9000109.2H542 M546H542-I544 HydrophobicContact CB-CD1 3.86Å; H542-I544 HydrophobicContact CB-CG1 3.85Å; H542-I544 PolarHBondContact O-N 2.97Å; H542-I544 VanDerWaalsContact O-N 3.1Å; I544-M546 HydrophobicContact CG2-CE 3.71Å; I544-M546 HydrophobicContact CG2-CG 4.03Å; I544-M546 HydrophobicContact CG2-SD 3.61Å; I544-M546 PolarHBondContact O-N 3.46Å
545T31Very low34.9Very low117 Ų117117.8 Ų117.872%0.71863%0.626SS**  trans-66.1112.3166.245.70000109.4
546M36.8Very low34.9Very low105 Ų105117.9 Ų117.952%0.51763%0.626SS.*  trans-110.8132.5-179.4-71.1-55.4-150.600113I544 E550I544-M546 HydrophobicContact CG2-CE 3.71Å; I544-M546 HydrophobicContact CG2-CG 4.03Å; I544-M546 HydrophobicContact CG2-SD 3.61Å; I544-M546 PolarHBondContact O-N 3.46Å; M546-E550 HydrophobicContact CB-CB 4.47Å; M546-E550 VanDerWaalsContact CB-OE2 3.26Å; M546-E550 WeakPolarHBondContact CB-OE2 3.27Å; M546-E550 VanDerWaalsContact CE-OE1 3.31Å; M546-E550 WeakPolarHBondContact CE-OE1 3.3Å; M546-E550 WeakPolarHBondContact CE-OE2 3.42Å; M546-E550 WeakPolarHBondContact CG-OE2 3.35Å
547N32.9Very low35.1Very low129 Ų129117.2 Ų117.269%0.6962%0.616SS**  trans-71.3152.8-177.2-89-28.2000112.8T549 E550N547-T549 PolarHBondContact O-N 3.31Å; N547-E550 PolarHBondContact O-N 3.41Å
548M38.5Very low35.3Very low140 Ų140111.3 Ų111.369%0.6959%0.586SS**Hα-helixtrans-48.9-22.6-178.3-69.9-82.5-84.300115.9Q551M548-Q551 PolarHBondContact O-N 3.4Å; M548-Q551 PolarHBondContact SD-OE1 3.4Å
549T39.8Very low35.6Very low108 Ų108112.7 Ų112.766%0.66359%0.593SS**Hα-helixtrans-70.3-29.9175.2370000113.1N547 L553N547-T549 PolarHBondContact O-N 3.31Å; T549-L553 PolarHBondContact O-N 3.06Å
550E38.7Very low36.6Very low75 Ų75108.3 Ų108.335%0.3557%0.57SS.*Hα-helixtrans-75.5-28.1174.5-66.3-164.4176.200112.4M546 N547 I552 L553 L554M546-E550 HydrophobicContact CB-CB 4.47Å; M546-E550 VanDerWaalsContact CB-OE2 3.26Å; M546-E550 WeakPolarHBondContact CB-OE2 3.27Å; M546-E550 VanDerWaalsContact CE-OE1 3.31Å; M546-E550 WeakPolarHBondContact CE-OE1 3.3Å; M546-E550 WeakPolarHBondContact CE-OE2 3.42Å; M546-E550 WeakPolarHBondContact CG-OE2 3.35Å; N547-E550 PolarHBondContact O-N 3.41Å; E550-I552 VanDerWaalsContact C-N 3.31Å; E550-I552 PolarHBondContact O-N 3.44Å; E550-L553 PolarHBondContact O-N 2.7Å; E550-L554 WeakPolarHBondContact O-CB 3.29Å; E550-L554 WeakPolarHBondContact O-CD1 3.41Å; E550-L554 PolarHBondContact O-N 2.8Å
551Q38.4Very low37.6Very low113 Ų113104 Ų10453%0.52855%0.551SS.*Hα-helixtrans-62.1-38.1173.6-71.2-179.8-11.700111.9M548 L554 T555M548-Q551 PolarHBondContact O-N 3.4Å; M548-Q551 PolarHBondContact SD-OE1 3.4Å; Q551-L554 PolarHBondContact O-N 3.07Å; Q551-T555 WeakPolarHBondContact O-CG2 3.27Å; Q551-T555 PolarHBondContact O-N 3.25Å; Q551-T555 PolarHBondContact O-OG1 2.9Å
552I38.1Very low38.9Very low115 Ų11598.4 Ų98.459%0.5952%0.523SS*.Hα-helixtrans-68.5-41.9176.5-62.2174000110.5E550 L554 T555 L556E550-I552 VanDerWaalsContact C-N 3.31Å; E550-I552 PolarHBondContact O-N 3.44Å; I552-L554 VanDerWaalsContact C-N 3.34Å; I552-L554 PolarHBondContact O-N 3.33Å; I552-T555 WeakPolarHBondContact CA-OG1 3.29Å; I552-T555 PolarHBondContact O-N 2.74Å; I552-T555 PolarHBondContact O-OG1 2.76Å; I552-L556 PolarHBondContact O-N 3.07Å
553L36.9Very low40.2Very low112 Ų11295.4 Ų95.459%0.58651%0.51SS*.Hα-helixtrans-64.4-39.3177.2-162.677.2000111.8T549 E550 L556 N557T549-L553 PolarHBondContact O-N 3.06Å; E550-L553 PolarHBondContact O-N 2.7Å; L553-L556 PolarHBondContact O-N 2.96Å; L553-N557 PolarHBondContact O-N 2.85Å; L553-N557 VanDerWaalsContact O-N 3.11Å; L553-N557 PolarHBondContact O-ND2 3.36Å
554L38.2Very low41.7Very low86 Ų8691 Ų9145%0.4549%0.486SS..Hα-helixtrans-65.2-43.1173.2-86.4149.8000111.6E550 Q551 I552 L556 N557 T558E550-L554 WeakPolarHBondContact O-CB 3.29Å; E550-L554 WeakPolarHBondContact O-CD1 3.41Å; E550-L554 PolarHBondContact O-N 2.8Å; Q551-L554 PolarHBondContact O-N 3.07Å; I552-L554 VanDerWaalsContact C-N 3.34Å; I552-L554 PolarHBondContact O-N 3.33Å; L554-L556 VanDerWaalsContact C-N 3.3Å; L554-L556 PolarHBondContact O-N 2.96Å; L554-N557 CarbonylContact O-C 3.46Å; L554-N557 WeakPolarHBondContact O-CB 3.24Å; L554-N557 PolarHBondContact O-N 3.41Å; L554-N557 VanDerWaalsContact O-N 3.11Å; L554-T558 WeakPolarHBondContact O-CG2 3.4Å; L554-T558 PolarHBondContact O-N 2.74Å
555T36.6Very low42.9Very low66 Ų6687 Ų8741%0.40547%0.466SS..Hα-helixtrans-62.9-34.817554.10000113.1Q551 I552 N557 T558 L559Q551-T555 WeakPolarHBondContact O-CG2 3.27Å; Q551-T555 PolarHBondContact O-N 3.25Å; Q551-T555 PolarHBondContact O-OG1 2.9Å; I552-T555 WeakPolarHBondContact CA-OG1 3.29Å; I552-T555 PolarHBondContact O-N 2.74Å; I552-T555 PolarHBondContact O-OG1 2.76Å; T555-N557 VanDerWaalsContact C-N 3.31Å; T555-N557 PolarHBondContact O-N 3.28Å; T555-T558 VanDerWaalsContact C-OG1 3.29Å; T555-T558 VanDerWaalsContact CA-OG1 3.24Å; T555-T558 WeakPolarHBondContact CA-OG1 3.07Å; T555-T558 PolarHBondContact O-N 2.85Å; T555-T558 PolarHBondContact O-OG1 3.28Å; T555-L559 PolarHBondContact O-N 3.5Å
556L36.2Very low44.5Very low111 Ų11184.1 Ų84.158%0.58145%0.448SS*.Hα-helixtrans-66.7-35.2174.1-142.584.1000111.8I552 L553 L554 N560I552-L556 PolarHBondContact O-N 3.07Å; L553-L556 PolarHBondContact O-N 2.96Å; L554-L556 VanDerWaalsContact C-N 3.3Å; L554-L556 PolarHBondContact O-N 2.96Å; L556-N560 PolarHBondContact O-ND2 2.87Å
557N40.4Very low45.8Very low91 Ų9183.6 Ų83.649%0.48744%0.443SS..Hα-helixtrans-73.6-29.5174.6-70.8-20.8000112.9L553 L554 T555 N560 S561L553-N557 PolarHBondContact O-N 2.85Å; L553-N557 VanDerWaalsContact O-N 3.11Å; L553-N557 PolarHBondContact O-ND2 3.36Å; L554-N557 CarbonylContact O-C 3.46Å; L554-N557 WeakPolarHBondContact O-CB 3.24Å; L554-N557 PolarHBondContact O-N 3.41Å; L554-N557 VanDerWaalsContact O-N 3.11Å; T555-N557 VanDerWaalsContact C-N 3.31Å; T555-N557 PolarHBondContact O-N 3.28Å; N557-N560 WeakPolarHBondContact O-CB 3.3Å; N557-N560 PolarHBondContact O-N 2.98Å; N557-N560 VanDerWaalsContact O-N 3.11Å; N557-S561 PolarHBondContact O-N 3.48Å
558T37Very low47.3Very low34 Ų3478.4 Ų78.421%0.20942%0.417CS..Hα-helixtrans-71.2-32.5177.654.40000114.4D59 L554 T555 N560D59-T558 HydrophobicContact CB-CG2 3.91Å; L554-T558 WeakPolarHBondContact O-CG2 3.4Å; L554-T558 PolarHBondContact O-N 2.74Å; T555-T558 VanDerWaalsContact C-OG1 3.29Å; T555-T558 VanDerWaalsContact CA-OG1 3.24Å; T555-T558 WeakPolarHBondContact CA-OG1 3.07Å; T555-T558 PolarHBondContact O-N 2.85Å; T555-T558 PolarHBondContact O-OG1 3.28Å; T558-N560 PolarHBondContact O-N 3.44Å
559L38.9Very low48.5Very low125 Ų12572.6 Ų72.665%0.65439%0.388SS*.Hα-helixtrans-71.7-22.5169-84159.6000111.7T555 M563T555-L559 PolarHBondContact O-N 3.5Å; L559-M563 WeakPolarHBondContact O-CB 3.42Å
560N49.9Very low49.8Very low63 Ų6371.9 Ų71.934%0.33738%0.38SS..Hα-helixtrans-74.8-38.4-179.9-78.4-29.7000112.3L556 N557 T558 L564L556-N560 PolarHBondContact O-ND2 2.87Å; N557-N560 WeakPolarHBondContact O-CB 3.3Å; N557-N560 PolarHBondContact O-N 2.98Å; N557-N560 VanDerWaalsContact O-N 3.11Å; T558-N560 PolarHBondContact O-N 3.44Å; N560-L564 HydrophobicContact CB-CD1 3.87Å; N560-L564 HydrophobicContact CB-CG 4.41Å; N560-L564 WeakPolarHBondContact O-CA 3.44Å; N560-L564 WeakPolarHBondContact O-CB 3.37Å; N560-L564 WeakPolarHBondContact O-CD1 3.33Å; N560-L564 WeakPolarHBondContact O-CG 3.33Å; N560-L564 PolarHBondContact O-N 2.89Å
561S54.7Low51.1Low42 Ų4271.9 Ų71.929%0.29438%0.381SS..Hα-helixtrans-64.8-51.8-170.867.50000114.6D59 N557 L564 L565D59-S561 PolarHBondContact OD2-OG 3.3Å; N557-S561 PolarHBondContact O-N 3.48Å; S561-L564 PolarHBondContact O-N 2.99Å; S561-L565 PolarHBondContact O-N 3.09Å
562S56.3Low52.4Low23 Ų2369 Ų6916%0.16137%0.368CS..Hα-helixtrans-74.1-36.4178.659.30000112.9L565 T566S562-L565 PolarHBondContact O-N 3.02Å; S562-T566 PolarHBondContact O-N 3.5Å; S562-T566 PolarHBondContact O-OG1 2.87Å
563M59.6Low53.7Low95 Ų9563.7 Ų63.747%0.46834%0.341SS..Hα-helixtrans-67-37.1172.2-164.7-163.9-159.500111.2L559 T566 K567L559-M563 WeakPolarHBondContact O-CB 3.42Å; M563-T566 PolarHBondContact O-N 3.25Å; M563-K567 HydrophobicContact CG-CD 4.16Å; M563-K567 WeakPolarHBondContact O-CB 3.43Å; M563-K567 WeakPolarHBondContact O-CG 3.22Å; M563-K567 PolarHBondContact O-N 2.87Å; M563-K567 HydrophobicContact SD-CD 4.46Å; M563-K567 PolarHBondContact SD-NZ 3.23Å
564L60.3Low55.3Low75 Ų7560.6 Ų60.639%0.39333%0.328SS..Hα-helixtrans-66.5-40.8174.4-79.8163.2000110.8N560 S561 K567 S568N560-L564 HydrophobicContact CB-CD1 3.87Å; N560-L564 HydrophobicContact CB-CG 4.41Å; N560-L564 WeakPolarHBondContact O-CA 3.44Å; N560-L564 WeakPolarHBondContact O-CB 3.37Å; N560-L564 WeakPolarHBondContact O-CD1 3.33Å; N560-L564 WeakPolarHBondContact O-CG 3.33Å; N560-L564 PolarHBondContact O-N 2.89Å; S561-L564 PolarHBondContact O-N 2.99Å; L564-K567 PolarHBondContact O-N 2.73Å; L564-S568 WeakPolarHBondContact O-CB 3.35Å; L564-S568 PolarHBondContact O-N 3.44Å; L564-S568 PolarHBondContact O-OG 3.37Å
565L61.8Low56.8Low3 Ų357.5 Ų57.52%0.01631%0.312CS..Hα-helixtrans-60.2-49.2174.7-171.480.3000110.7W48 M51 L55 F98 F530 M534 S561 S562 S568 I569W48-L565 HydrophobicContact CH2-CD2 3.77Å; W48-L565 HydrophobicContact CH2-CG 4.33Å; W48-L565 HydrophobicContact CZ3-CD2 4.13Å; M51-L565 HydrophobicContact CE-CD1 4Å; M51-L565 HydrophobicContact CE-CD2 3.54Å; M51-L565 HydrophobicContact CE-CG 4.42Å; M51-L565 HydrophobicContact SD-CD2 4.08Å; L55-L565 HydrophobicContact CD1-CD2 4.13Å; F98-L565 HydrophobicContact CD2-CD1 4.05Å; F98-L565 HydrophobicContact CE2-CD1 3.97Å; F530-L565 HydrophobicContact CE2-CD1 3.87Å; F530-L565 HydrophobicContact CZ-CD1 4.25Å; M534-L565 HydrophobicContact CE-CD1 4.35Å; S561-L565 PolarHBondContact O-N 3.09Å; S562-L565 PolarHBondContact O-N 3.02Å; L565-S568 PolarHBondContact O-N 2.9Å; L565-S568 PolarHBondContact O-OG 3.28Å; L565-I569 PolarHBondContact O-N 2.9Å
566T64.1Low58.4Low56 Ų5657.2 Ų57.234%0.34431%0.306SS..Hα-helixtrans-64-46.2179.3-510000111.4S562 M563 S568 I569 D570S562-T566 PolarHBondContact O-N 3.5Å; S562-T566 PolarHBondContact O-OG1 2.87Å; M563-T566 PolarHBondContact O-N 3.25Å; T566-S568 VanDerWaalsContact C-N 3.26Å; T566-S568 PolarHBondContact O-N 3.23Å; T566-I569 PolarHBondContact O-N 3.05Å; T566-D570 PolarHBondContact O-N 2.89Å
567K65.3Low60Low93 Ų9353.6 Ų53.640%0.40429%0.287SS..Hα-helixtrans-58.4-37.8173-78.2173.2174.61720112.1M563 L564 D570 Q571M563-K567 HydrophobicContact CG-CD 4.16Å; M563-K567 WeakPolarHBondContact O-CB 3.43Å; M563-K567 WeakPolarHBondContact O-CG 3.22Å; M563-K567 PolarHBondContact O-N 2.87Å; M563-K567 HydrophobicContact SD-CD 4.46Å; M563-K567 PolarHBondContact SD-NZ 3.23Å; L564-K567 PolarHBondContact O-N 2.73Å; K567-D570 PolarHBondContact O-N 3.14Å; K567-Q571 VanDerWaalsContact O-CB 3.25Å; K567-Q571 WeakPolarHBondContact O-CB 3.46Å; K567-Q571 WeakPolarHBondContact O-CG 3.27Å; K567-Q571 PolarHBondContact O-N 3.34Å
568S62.8Low61.6Low21 Ų2151.8 Ų51.815%0.14728%0.279CS..Hα-helixtrans-69.2-37179.775.40000112L564 L565 T566 Q571 M572L564-S568 WeakPolarHBondContact O-CB 3.35Å; L564-S568 PolarHBondContact O-N 3.44Å; L564-S568 PolarHBondContact O-OG 3.37Å; L565-S568 PolarHBondContact O-N 2.9Å; L565-S568 PolarHBondContact O-OG 3.28Å; T566-S568 VanDerWaalsContact C-N 3.26Å; T566-S568 PolarHBondContact O-N 3.23Å; S568-Q571 PolarHBondContact O-N 2.69Å; S568-M572 WeakPolarHBondContact O-CB 3.45Å; S568-M572 WeakPolarHBondContact O-CG 3.32Å; S568-M572 PolarHBondContact O-N 3.17Å
569I64.2Low63.1Low17 Ų1750.9 Ų50.99%0.08728%0.275CS..Hα-helixtrans-66.4-48.1172.8-67.6-175.1000110.3W48 F98 L565 T566 Q571 M572 C573W48-I569 HydrophobicContact CH2-CD1 3.15Å; W48-I569 HydrophobicContact CH2-CG1 4.44Å; W48-I569 HydrophobicContact CZ2-CD1 3.97Å; W48-I569 HydrophobicContact CZ3-CD1 3.67Å; F98-I569 HydrophobicContact CD2-CD1 3.68Å; F98-I569 HydrophobicContact CD2-CG1 3.89Å; F98-I569 HydrophobicContact CE1-CG1 4.5Å; F98-I569 HydrophobicContact CE2-CD1 3.53Å; F98-I569 HydrophobicContact CE2-CG1 3.18Å; F98-I569 HydrophobicContact CG-CD1 4.5Å; F98-I569 HydrophobicContact CZ-CD1 4.22Å; F98-I569 HydrophobicContact CZ-CG1 3.55Å; L565-I569 PolarHBondContact O-N 2.9Å; T566-I569 PolarHBondContact O-N 3.05Å; I569-Q571 PolarHBondContact O-N 2.84Å; I569-M572 PolarHBondContact O-N 3.29Å; I569-C573 VanDerWaalsContact O-CB 3.26Å; I569-C573 WeakPolarHBondContact O-CB 3.26Å; I569-C573 PolarHBondContact O-N 3.15Å; I569-C573 PolarHBondContact O-SG 2.76Å
570D66.7Low64.5Low93 Ų9345 Ų4550%0.49724%0.244SC..Hα-helixtrans-60.4-37.2178.5-72.1-26.1000111.6T566 K567 S574T566-D570 PolarHBondContact O-N 2.89Å; K567-D570 PolarHBondContact O-N 3.14Å; D570-S574 WeakPolarHBondContact O-CB 3.25Å; D570-S574 PolarHBondContact O-N 3.4Å; D570-S574 PolarHBondContact O-OG 3.03Å
571Q66.7Low65.7Low76 Ų7646.2 Ų46.236%0.35525%0.25SS..Hα-helixtrans-69.5-46.4174.5-75.9174.8-3.800112.2K567 S568 I569 C573 S574 I575K567-Q571 VanDerWaalsContact O-CB 3.25Å; K567-Q571 WeakPolarHBondContact O-CB 3.46Å; K567-Q571 WeakPolarHBondContact O-CG 3.27Å; K567-Q571 PolarHBondContact O-N 3.34Å; S568-Q571 PolarHBondContact O-N 2.69Å; I569-Q571 PolarHBondContact O-N 2.84Å; Q571-C573 PolarHBondContact O-N 3.13Å; Q571-S574 WeakPolarHBondContact CA-OG 3.29Å; Q571-S574 PolarHBondContact O-N 3Å; Q571-S574 PolarHBondContact O-OG 2.97Å; Q571-I575 WeakPolarHBondContact O-CB 3.39Å; Q571-I575 WeakPolarHBondContact O-CD1 2.93Å; Q571-I575 WeakPolarHBondContact O-CG1 3.01Å; Q571-I575 PolarHBondContact O-N 3.13Å
572M65Low66.8Low53 Ų5345.6 Ų45.626%0.26124%0.244SC..Hα-helixtrans-63-42.6177.8-75.8-68.5-175.700111.8V527 S568 I569 I575 Q576V527-M572 HydrophobicContact CG2-CE 3.96Å; S568-M572 WeakPolarHBondContact O-CB 3.45Å; S568-M572 WeakPolarHBondContact O-CG 3.32Å; S568-M572 PolarHBondContact O-N 3.17Å; I569-M572 PolarHBondContact O-N 3.29Å; M572-I575 PolarHBondContact O-N 2.86Å; M572-Q576 PolarHBondContact O-N 2.89Å
573C67.2Low67.5Low3 Ų347.3 Ų47.32%0.0225%0.246CC..Hα-helixtrans-68.9-37.1178.8-630000111.2Y102 Q107 I569 Q571 Q576 L577Y102-C573 VanDerWaalsContact CD2-SG 3.57Å; Q107-C573 HydrophobicContact CB-CB 3.97Å; Q107-C573 HydrophobicContact CG-CB 4.41Å; Q107-C573 PolarHBondContact OE1-O 3.38Å; I569-C573 VanDerWaalsContact O-CB 3.26Å; I569-C573 WeakPolarHBondContact O-CB 3.26Å; I569-C573 PolarHBondContact O-N 3.15Å; I569-C573 PolarHBondContact O-SG 2.76Å; Q571-C573 PolarHBondContact O-N 3.13Å; C573-Q576 PolarHBondContact O-N 3.47Å; C573-L577 PolarHBondContact O-N 3.45Å
574S70Confident68.3Low46 Ų4643.4 Ų43.432%0.32223%0.228SC..Hα-helixtrans-71.6-34.3173.960.20000112.7D570 Q571 Q576 L577 T578D570-S574 WeakPolarHBondContact O-CB 3.25Å; D570-S574 PolarHBondContact O-N 3.4Å; D570-S574 PolarHBondContact O-OG 3.03Å; Q571-S574 WeakPolarHBondContact CA-OG 3.29Å; Q571-S574 PolarHBondContact O-N 3Å; Q571-S574 PolarHBondContact O-OG 2.97Å; S574-Q576 VanDerWaalsContact C-N 3.3Å; S574-Q576 PolarHBondContact O-N 3.26Å; S574-L577 PolarHBondContact O-N 3.16Å; S574-T578 WeakPolarHBondContact O-CB 3.3Å; S574-T578 VanDerWaalsContact O-CG2 3.26Å; S574-T578 WeakPolarHBondContact O-CG2 3.43Å; S574-T578 PolarHBondContact O-N 2.88Å; S574-T578 PolarHBondContact O-OG1 3.08Å
575I70.2Confident69.2Low21 Ų2145.6 Ų45.611%0.10823%0.23CC..Hα-helixtrans-61.8-41.1170.3-71163.2000110T522 I523 Y526 Q571 M572 T578 S579T522-I575 HydrophobicContact CG2-CD1 4.43Å; I523-I575 HydrophobicContact CD1-CG2 4.2Å; I523-I575 HydrophobicContact CG1-CG2 4.26Å; Y526-I575 HydrophobicContact CD2-CD1 4.13Å; Y526-I575 HydrophobicContact CE2-CD1 4.23Å; Q571-I575 WeakPolarHBondContact O-CB 3.39Å; Q571-I575 WeakPolarHBondContact O-CD1 2.93Å; Q571-I575 WeakPolarHBondContact O-CG1 3.01Å; Q571-I575 PolarHBondContact O-N 3.13Å; M572-I575 PolarHBondContact O-N 2.86Å; I575-T578 VanDerWaalsContact CA-OG1 3.29Å; I575-T578 WeakPolarHBondContact CA-OG1 3.37Å; I575-T578 PolarHBondContact O-N 3.48Å; I575-T578 PolarHBondContact O-OG1 2.87Å; I575-S579 VanDerWaalsContact O-CB 3.25Å; I575-S579 WeakPolarHBondContact O-CB 3.42Å; I575-S579 PolarHBondContact O-N 3.34Å
576Q68.9Low69.9Low60 Ų6046.4 Ų46.428%0.2824%0.236SC..Hα-helixtrans-67.9-39.9177.6-172.567.9-3.900112.5Y102 S111 M572 C573 S574 G580Y102-Q576 WeakPolarHBondContact OH-CG 3.4Å; S111-Q576 PolarHBondContact OG-O 3.32Å; M572-Q576 PolarHBondContact O-N 2.89Å; C573-Q576 PolarHBondContact O-N 3.47Å; S574-Q576 VanDerWaalsContact C-N 3.3Å; S574-Q576 PolarHBondContact O-N 3.26Å; Q576-G580 PolarHBondContact O-N 2.93Å
577L70.9Confident70.3Confident35 Ų3544.4 Ų44.418%0.18323%0.225CC..Hα-helixtrans-66-45.4174.9-17667.8000111.3V110 C573 S574 G580 L581V110-L577 HydrophobicContact CG1-CD1 4.34Å; C573-L577 PolarHBondContact O-N 3.45Å; S574-L577 PolarHBondContact O-N 3.16Å; L577-G580 PolarHBondContact O-N 3.13Å; L577-L581 HydrophobicContact CG-CD1 4.34Å; L577-L581 WeakPolarHBondContact O-CG 3.18Å; L577-L581 PolarHBondContact O-N 3.41Å
578T72.9Confident71.1Confident53 Ų5342.4 Ų42.433%0.32522%0.217SC..Hα-helixtrans-65.5-41.7178.252.40000111.5S574 I575 G580 L581 L582S574-T578 WeakPolarHBondContact O-CB 3.3Å; S574-T578 VanDerWaalsContact O-CG2 3.26Å; S574-T578 WeakPolarHBondContact O-CG2 3.43Å; S574-T578 PolarHBondContact O-N 2.88Å; S574-T578 PolarHBondContact O-OG1 3.08Å; I575-T578 VanDerWaalsContact CA-OG1 3.29Å; I575-T578 WeakPolarHBondContact CA-OG1 3.37Å; I575-T578 PolarHBondContact O-N 3.48Å; I575-T578 PolarHBondContact O-OG1 2.87Å; T578-G580 VanDerWaalsContact C-N 3.34Å; T578-G580 PolarHBondContact O-N 3.49Å; T578-L581 PolarHBondContact O-N 3.28Å; T578-L582 WeakPolarHBondContact O-CB 3.32Å; T578-L582 WeakPolarHBondContact O-CG 3.39Å; T578-L582 PolarHBondContact O-N 3.46Å
579S69Low71.7Confident16 Ų1642.6 Ų42.611%0.11221%0.214CC..Hα-helixtrans-58.9-44.5170.9173.80000111.4E515 I575 L581 L582 R583E515-S579 PolarHBondContact OE1-OG 2.92Å; E515-S579 VanDerWaalsContact OE1-OG 3.07Å; I575-S579 VanDerWaalsContact O-CB 3.25Å; I575-S579 WeakPolarHBondContact O-CB 3.42Å; I575-S579 PolarHBondContact O-N 3.34Å; S579-L581 PolarHBondContact O-N 3.06Å; S579-L582 PolarHBondContact O-N 2.72Å; S579-R583 VanDerWaalsContact O-CG 3.3Å; S579-R583 WeakPolarHBondContact O-CG 2.97Å; S579-R583 PolarHBondContact O-N 3.16Å
580G67Low72.6Confident2 Ų242.1 Ų42.12%0.02121%0.212CC..Hα-helixtrans-59.2-44.4174.600000113.3Q576 L577 T578 R583 I584Q576-G580 PolarHBondContact O-N 2.93Å; L577-G580 PolarHBondContact O-N 3.13Å; T578-G580 VanDerWaalsContact C-N 3.34Å; T578-G580 PolarHBondContact O-N 3.49Å; G580-R583 PolarHBondContact O-N 2.95Å; G580-I584 WeakPolarHBondContact O-CD1 3.46Å; G580-I584 WeakPolarHBondContact O-CG1 3.22Å; G580-I584 PolarHBondContact O-N 2.87Å; G580-I584 VanDerWaalsContact O-N 3.09Å
581L76.7Confident73.3Confident88 Ų8839.2 Ų39.246%0.46120%0.197SC..Hα-helixtrans-67.1-40.6177.1-71.2172.7000112.6L577 T578 S579 R583 I584 W585L577-L581 HydrophobicContact CG-CD1 4.34Å; L577-L581 WeakPolarHBondContact O-CG 3.18Å; L577-L581 PolarHBondContact O-N 3.41Å; T578-L581 PolarHBondContact O-N 3.28Å; S579-L581 PolarHBondContact O-N 3.06Å; L581-R583 VanDerWaalsContact C-N 3.32Å; L581-R583 PolarHBondContact O-N 3.48Å; L581-I584 WeakPolarHBondContact O-CB 3.27Å; L581-I584 PolarHBondContact O-N 3.37Å; L581-W585 PolarHBondContact O-N 3.33Å
582L77.7Confident73.9Confident29 Ų2939 Ų3915%0.15220%0.195CC..Hα-helixtrans-64.2-37.1176.5-72.6167.5000111.7A511 I514 E515 Y518 T578 S579 W585 S586A511-L582 HydrophobicContact CB-CB 4.39Å; A511-L582 HydrophobicContact CB-CD2 3.8Å; I514-L582 HydrophobicContact CB-CD1 4.28Å; I514-L582 HydrophobicContact CB-CD2 4.28Å; I514-L582 HydrophobicContact CD1-CD2 4.31Å; I514-L582 HydrophobicContact CG2-CD1 3.67Å; I514-L582 HydrophobicContact CG2-CD2 4.16Å; E515-L582 HydrophobicContact CB-CD1 4.32Å; Y518-L582 HydrophobicContact CD2-CD1 4.39Å; T578-L582 WeakPolarHBondContact O-CB 3.32Å; T578-L582 WeakPolarHBondContact O-CG 3.39Å; T578-L582 PolarHBondContact O-N 3.46Å; S579-L582 PolarHBondContact O-N 2.72Å; L582-W585 WeakPolarHBondContact O-CB 3.37Å; L582-W585 PolarHBondContact O-N 3.31Å; L582-S586 PolarHBondContact O-N 2.93Å; L582-S586 PolarHBondContact O-OG 2.84Å
583R71.1Confident74.6Confident58 Ų5836.7 Ų36.722%0.21918%0.184CC..Hα-helixtrans-65.9-40.1172.8-72.2173.9-172.7-178.45.7112.7E515 S579 G580 L581 W585 S586 S587 Y721E515-R583 IonicContact OE1-CZ 3.95Å; E515-R583 IonicContact OE1-NE 2.95Å; E515-R583 PolarHBondContact OE1-NE 2.94Å; E515-R583 IonicContact OE1-NH2 3.35Å; E515-R583 PolarHBondContact OE1-NH2 3.27Å; E515-R583 IonicContact OE2-NE 2.84Å; S579-R583 VanDerWaalsContact O-CG 3.3Å; S579-R583 WeakPolarHBondContact O-CG 2.97Å; S579-R583 PolarHBondContact O-N 3.16Å; G580-R583 PolarHBondContact O-N 2.95Å; L581-R583 VanDerWaalsContact C-N 3.32Å; L581-R583 PolarHBondContact O-N 3.48Å; R583-W585 VanDerWaalsContact C-N 3.31Å; R583-S586 PolarHBondContact O-OG 3.34Å; R583-S586 VanDerWaalsContact O-OG 3.09Å; R583-S587 WeakPolarHBondContact O-CB 3.43Å; R583-S587 PolarHBondContact O-N 3.25Å; R583-Y721 VanDerWaalsContact CZ-CE2 3.43Å
584I75.7Confident75.3Confident14 Ų1437.9 Ų37.97%0.07219%0.19CC..Hα-helixtrans-62.2-44.3173.6-70.8160.2000109.4L114 L118 V119 L122 G580 L581 S587L114-I584 HydrophobicContact CB-CD1 4.07Å; L118-I584 HydrophobicContact CD2-CB 4.49Å; L118-I584 HydrophobicContact CD2-CD1 3.88Å; L118-I584 HydrophobicContact CD2-CG1 4.13Å; L118-I584 HydrophobicContact CD2-CG2 3.54Å; V119-I584 HydrophobicContact CG2-CG1 4.36Å; L122-I584 HydrophobicContact CD1-CG2 3.81Å; G580-I584 WeakPolarHBondContact O-CD1 3.46Å; G580-I584 WeakPolarHBondContact O-CG1 3.22Å; G580-I584 PolarHBondContact O-N 2.87Å; G580-I584 VanDerWaalsContact O-N 3.09Å; L581-I584 WeakPolarHBondContact O-CB 3.27Å; L581-I584 PolarHBondContact O-N 3.37Å; I584-S587 PolarHBondContact O-N 3.34Å; I584-S587 PolarHBondContact O-OG 3.46Å
585W78.9Confident75.8Confident120 Ų12038.5 Ų38.546%0.45519%0.193SC..Hα-helixtrans-59.9-53.5177.2-173.3-85.6000112V507 F508 A511 L581 L582 R583 S587 Q588V507-W585 HydrophobicContact CG1-CZ2 4.06Å; V507-W585 PolarHBondContact O-NE1 2.87Å; F508-W585 AromaticContact CD1-CD1 3.62Å; F508-W585 HydrophobicContact CD1-CD2 4.46Å; F508-W585 HydrophobicContact CD1-CG 4.25Å; F508-W585 AromaticContact CD1-NE1 3.49Å; F508-W585 WeakPolarHBondContact CD1-O 3.33Å; F508-W585 HydrophobicContact CE1-CD2 4.31Å; F508-W585 AromaticContact CE1-CE2 3.92Å; F508-W585 HydrophobicContact CE1-CG 4.5Å; F508-W585 HydrophobicContact CE1-CZ2 4.3Å; F508-W585 AromaticContact CE1-NE1 3.87Å; A511-W585 HydrophobicContact CB-CB 4.17Å; A511-W585 VanDerWaalsContact CB-CD1 3.44Å; A511-W585 HydrophobicContact CB-CG 4.08Å; L581-W585 PolarHBondContact O-N 3.33Å; L582-W585 WeakPolarHBondContact O-CB 3.37Å; L582-W585 PolarHBondContact O-N 3.31Å; R583-W585 VanDerWaalsContact C-N 3.31Å; W585-S587 PolarHBondContact O-N 3.2Å; W585-Q588 WeakPolarHBondContact O-CB 3.05Å; W585-Q588 PolarHBondContact O-N 3.05Å
586S76Confident76.2Confident20 Ų2038.6 Ų38.614%0.1419%0.193CC..Hα-helixtrans-60.7-31.4179.867.40000112.4L582 R583 Q588 R589L582-S586 PolarHBondContact O-N 2.93Å; L582-S586 PolarHBondContact O-OG 2.84Å; R583-S586 PolarHBondContact O-OG 3.34Å; R583-S586 VanDerWaalsContact O-OG 3.09Å; S586-Q588 PolarHBondContact O-N 3.18Å; S586-R589 WeakPolarHBondContact O-CB 3.47Å; S586-R589 PolarHBondContact O-N 2.75Å
587S74.3Confident76.6Confident14 Ų1435.7 Ų35.710%0.09818%0.18CC..THydrogen-bonded Turntrans-66.9-14176.778.30000114.5L122 N126 R583 I584 W585 R589L122-S587 WeakPolarHBondContact CD1-OG 3.34Å; N126-S587 PolarHBondContact ND2-O 3.1Å; R583-S587 WeakPolarHBondContact O-CB 3.43Å; R583-S587 PolarHBondContact O-N 3.25Å; I584-S587 PolarHBondContact O-N 3.34Å; I584-S587 PolarHBondContact O-OG 3.46Å; W585-S587 PolarHBondContact O-N 3.2Å; S587-R589 VanDerWaalsContact C-N 3.3Å; S587-R589 PolarHBondContact O-N 3.29Å
588Q80.4Confident76.9Confident52 Ų5237 Ų3724%0.24319%0.187CC..THydrogen-bonded Turntrans-85.41.3-179.8-66.7178.63.900114.3L122 F508 W585 S586 F590 V591L122-Q588 HydrophobicContact CD1-CG 4.19Å; L122-Q588 HydrophobicContact CD2-CG 4.05Å; F508-Q588 HydrophobicContact CD1-CB 4.24Å; F508-Q588 HydrophobicContact CE1-CB 3.76Å; F508-Q588 HydrophobicContact CZ-CB 4.17Å; W585-Q588 WeakPolarHBondContact O-CB 3.05Å; W585-Q588 PolarHBondContact O-N 3.05Å; S586-Q588 PolarHBondContact O-N 3.18Å; Q588-F590 VanDerWaalsContact C-N 3.27Å; Q588-F590 PolarHBondContact O-N 3.26Å; Q588-F590 VanDerWaalsContact O-N 3.1Å; Q588-V591 HydrophobicContact CB-CG2 4.42Å; Q588-V591 WeakPolarHBondContact O-CB 3.19Å; Q588-V591 PolarHBondContact O-N 3.26Å
589R76.7Confident76.9Confident24 Ų2438.9 Ų38.99%0.09120%0.201CC..THydrogen-bonded Turntrans-47.9-42.3-173.8-177.4-177.2175.2141.216.5114.8I229 N505 F508 D509 S586 S587I229-R589 VanDerWaalsContact CD1-NH2 3.34Å; N505-R589 WeakPolarHBondContact OD1-CG 3.49Å; N505-R589 PolarHBondContact OD1-NE 3.22Å; N505-R589 PolarHBondContact OD1-NH2 3.38Å; F508-R589 HydrophobicContact CB-CB 4.09Å; F508-R589 HydrophobicContact CB-CG 4.38Å; F508-R589 HydrophobicContact CG-CB 4.43Å; D509-R589 IonicContact OD1-CZ 2.73Å; D509-R589 IonicContact OD1-NE 3.2Å; D509-R589 IonicContact OD1-NH1 3.4Å; D509-R589 PolarHBondContact OD1-NH1 3.29Å; D509-R589 IonicContact OD2-CZ 3.96Å; D509-R589 VanDerWaalsContact OD2-CZ 3.3Å; D509-R589 IonicContact OD2-NH1 3.3Å; D509-R589 PolarHBondContact OD2-NH1 2.71Å; D509-R589 IonicContact OD2-NH2 3.02Å; D509-R589 PolarHBondContact OD2-NH2 3.47Å; S586-R589 WeakPolarHBondContact O-CB 3.47Å; S586-R589 PolarHBondContact O-N 2.75Å; S587-R589 VanDerWaalsContact C-N 3.3Å; S587-R589 PolarHBondContact O-N 3.29Å
590F81.7Confident77Confident8 Ų840.2 Ų40.24%0.03521%0.205CC..THydrogen-bonded Turntrans-94-15.1-173-55.6-68.6000114.2N126 S129 L130 Y176 S180 L184 P225 Q588 F592 T593N126-F590 HydrophobicContact CB-CB 4.33Å; N126-F590 WeakPolarHBondContact OD1-CA 2.81Å; N126-F590 WeakPolarHBondContact OD1-CB 3.24Å; N126-F590 PolarHBondContact OD1-N 2.9Å; S129-F590 PolarHBondContact OG-O 2.75Å; L130-F590 HydrophobicContact CD1-CB 3.83Å; L130-F590 HydrophobicContact CD1-CD1 4.32Å; L130-F590 HydrophobicContact CD1-CD2 4.37Å; L130-F590 HydrophobicContact CD1-CG 3.92Å; L130-F590 HydrophobicContact CD2-CB 4.13Å; L130-F590 HydrophobicContact CD2-CD1 4.26Å; L130-F590 HydrophobicContact CD2-CG 4.44Å; L130-F590 HydrophobicContact CG-CB 3.93Å; L130-F590 HydrophobicContact CG-CG 4.44Å; Y176-F590 HydrophobicContact CE1-CD1 4.45Å; Y176-F590 HydrophobicContact CE2-CE1 4.15Å; Y176-F590 AromaticContact CZ-CE1 3.77Å; Y176-F590 WeakPolarHBondContact OH-CD1 3.44Å; Y176-F590 WeakPolarHBondContact OH-CE1 3.31Å; S180-F590 WeakPolarHBondContact OG-CE1 3.45Å; S180-F590 WeakPolarHBondContact OG-CZ 3.5Å; L184-F590 HydrophobicContact CD1-CD2 3.7Å; L184-F590 HydrophobicContact CD1-CE2 4.26Å; L184-F590 HydrophobicContact CD1-CG 4.38Å; L184-F590 HydrophobicContact CD2-CD2 4.1Å; L184-F590 HydrophobicContact CD2-CE2 4.24Å; L184-F590 HydrophobicContact CG-CD2 4.03Å; L184-F590 HydrophobicContact CG-CE2 4.13Å; P225-F590 HydrophobicContact CB-CE1 4.5Å; P225-F590 HydrophobicContact CB-CZ 4.48Å; Q588-F590 VanDerWaalsContact C-N 3.27Å; Q588-F590 PolarHBondContact O-N 3.26Å; Q588-F590 VanDerWaalsContact O-N 3.1Å; F590-F592 PolarHBondContact O-N 3.44Å; F590-T593 WeakPolarHBondContact O-CB 3.25Å; F590-T593 PolarHBondContact O-N 3.37Å; F590-T593 PolarHBondContact O-OG1 3.31Å
591V82.1Confident77.2Confident31 Ų3140.1 Ų40.119%0.18821%0.205CC..THydrogen-bonded Turntrans-53.5-41.8-179.4178.90000110.6I125 N126 S129 Q588 T593 P595I125-V591 HydrophobicContact CG2-CB 4.44Å; I125-V591 HydrophobicContact CG2-CG1 3.8Å; I125-V591 HydrophobicContact CG2-CG2 3.96Å; N126-V591 WeakPolarHBondContact OD1-CG2 3.27Å; N126-V591 PolarHBondContact OD1-N 3.26Å; S129-V591 PolarHBondContact OG-O 2.88Å; Q588-V591 HydrophobicContact CB-CG2 4.42Å; Q588-V591 WeakPolarHBondContact O-CB 3.19Å; Q588-V591 PolarHBondContact O-N 3.26Å; V591-T593 VanDerWaalsContact C-N 3.32Å; V591-T593 PolarHBondContact O-N 2.85Å; V591-P595 VanDerWaalsContact O-CD 3.32Å; V591-P595 WeakPolarHBondContact O-CD 3.49Å
592F80.5Confident76.5Confident73 Ų7337.6 Ų37.632%0.3219%0.191SC..THydrogen-bonded Turntrans-78.1-8.3-175.7-65.2-82.8000114.8M504 F508 F590 L594 P595 I596M504-F592 HydrophobicContact CE-CB 4.32Å; M504-F592 HydrophobicContact CE-CD1 4.19Å; M504-F592 HydrophobicContact CE-CD2 4.06Å; M504-F592 HydrophobicContact CE-CE2 4.49Å; M504-F592 HydrophobicContact CE-CG 3.9Å; F508-F592 HydrophobicContact CE1-CE2 4.37Å; F508-F592 AromaticContact CE2-CD2 3.45Å; F508-F592 HydrophobicContact CE2-CD2 3.45Å; F508-F592 VanDerWaalsContact CE2-CD2 3.45Å; F508-F592 AromaticContact CE2-CE2 3.71Å; F508-F592 HydrophobicContact CE2-CE2 3.71Å; F508-F592 HydrophobicContact CE2-CG 4.43Å; F508-F592 AromaticContact CZ-CD2 3.58Å; F508-F592 HydrophobicContact CZ-CD2 3.58Å; F508-F592 AromaticContact CZ-CE2 3.29Å; F508-F592 HydrophobicContact CZ-CE2 3.29Å; F508-F592 HydrophobicContact CZ-CZ 4.28Å; F590-F592 PolarHBondContact O-N 3.44Å; F592-L594 PolarHBondContact O-N 3.24Å; F592-P595 WeakPolarHBondContact O-CD 3.42Å; F592-I596 HydrophobicContact CB-CD1 3.91Å; F592-I596 HydrophobicContact CB-CG1 4.46Å; F592-I596 WeakPolarHBondContact O-CB 3.49Å; F592-I596 VanDerWaalsContact O-CD1 3.24Å; F592-I596 WeakPolarHBondContact O-CD1 3.47Å; F592-I596 WeakPolarHBondContact O-CG1 3.23Å; F592-I596 PolarHBondContact O-N 3.44Å
593T79.4Confident76Confident3 Ų341 Ų412%0.01821%0.205CC..Hα-helixtrans-58.3-47.2-178.6-47.40000111.7Y176 L501 F590 V591 I596 L597Y176-T593 HydrophobicContact CE1-CG2 4.42Å; L501-T593 HydrophobicContact CD2-CG2 4.24Å; F590-T593 WeakPolarHBondContact O-CB 3.25Å; F590-T593 PolarHBondContact O-N 3.37Å; F590-T593 PolarHBondContact O-OG1 3.31Å; V591-T593 VanDerWaalsContact C-N 3.32Å; V591-T593 PolarHBondContact O-N 2.85Å; T593-I596 PolarHBondContact O-N 3.31Å; T593-L597 HydrophobicContact CG2-CD1 4.23Å; T593-L597 WeakPolarHBondContact O-CB 3.29Å; T593-L597 WeakPolarHBondContact O-CG 3.1Å; T593-L597 PolarHBondContact O-N 3.49Å
594L80.7Confident75.9Confident29 Ų2938.2 Ų38.215%0.15219%0.194CC..Hα-helixtrans-68.2-48.8179.6-179.675.9000113S129 L132 F592 I596 L597 L598 F604S129-L594 VanDerWaalsContact OG-CB 3.29Å; S129-L594 WeakPolarHBondContact OG-CB 3.36Å; S129-L594 PolarHBondContact OG-N 3.03Å; L132-L594 HydrophobicContact CB-CD1 3.97Å; L132-L594 HydrophobicContact CB-CD2 4.08Å; L132-L594 HydrophobicContact CD1-CD2 3.82Å; F592-L594 PolarHBondContact O-N 3.24Å; L594-I596 VanDerWaalsContact C-N 3.29Å; L594-I596 PolarHBondContact O-N 3.04Å; L594-L597 WeakPolarHBondContact O-CB 3.04Å; L594-L597 PolarHBondContact O-N 3.48Å; L594-L598 HydrophobicContact CG-CD1 4.16Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 2.82Å; L594-F604 HydrophobicContact CD1-CE1 3.89Å; L594-F604 HydrophobicContact CD1-CZ 3.88Å
595P81.4Confident75.5Confident59 Ų5940.9 Ų40.938%0.38320%0.203SC..Hα-helixtrans-54.4-42.1172.1-28.433.3000113.6V591 F592 L598 C599V591-P595 VanDerWaalsContact O-CD 3.32Å; V591-P595 WeakPolarHBondContact O-CD 3.49Å; F592-P595 WeakPolarHBondContact O-CD 3.42Å; P595-L598 PolarHBondContact O-N 2.93Å; P595-C599 WeakPolarHBondContact O-CB 3.33Å; P595-C599 PolarHBondContact O-N 3.26Å; P595-C599 PolarHBondContact O-SG 2.92Å; P595-C599 VanDerWaalsContact O-SG 3.32Å
596I79.3Confident74.8Confident22 Ų2239.1 Ų39.111%0.11320%0.2CC..Hα-helixtrans-64.9-43.3178.9-68.1162.9000110.5L497 C500 L501 M504 F592 T593 L594 L598 C599 Q600L497-I596 HydrophobicContact CD1-CG2 3.79Å; C500-I596 HydrophobicContact CB-CG2 3.92Å; L501-I596 HydrophobicContact CD2-CB 4.27Å; L501-I596 HydrophobicContact CD2-CD1 3.82Å; L501-I596 HydrophobicContact CD2-CG2 4.01Å; L501-I596 HydrophobicContact CG-CG2 3.99Å; M504-I596 HydrophobicContact CB-CD1 4.18Å; M504-I596 HydrophobicContact CG-CD1 3.8Å; F592-I596 HydrophobicContact CB-CD1 3.91Å; F592-I596 HydrophobicContact CB-CG1 4.46Å; F592-I596 WeakPolarHBondContact O-CB 3.49Å; F592-I596 VanDerWaalsContact O-CD1 3.24Å; F592-I596 WeakPolarHBondContact O-CD1 3.47Å; F592-I596 WeakPolarHBondContact O-CG1 3.23Å; F592-I596 PolarHBondContact O-N 3.44Å; T593-I596 PolarHBondContact O-N 3.31Å; L594-I596 VanDerWaalsContact C-N 3.29Å; L594-I596 PolarHBondContact O-N 3.04Å; I596-L598 PolarHBondContact O-N 3.43Å; I596-C599 PolarHBondContact O-N 3.32Å; I596-Q600 HydrophobicContact CG2-CG 4.28Å; I596-Q600 VanDerWaalsContact O-CB 3.3Å; I596-Q600 WeakPolarHBondContact O-CB 3.41Å; I596-Q600 PolarHBondContact O-N 2.77Å
597L76.8Confident74.4Confident0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-60.3-43.5174.7-81166000112.6S133 I137 W170 L173 L497 T593 L594 S601 F604S133-L597 VanDerWaalsContact CB-CD1 3.47Å; I137-L597 HydrophobicContact CD1-CD1 4.01Å; I137-L597 HydrophobicContact CD1-CD2 4.49Å; I137-L597 HydrophobicContact CG1-CD1 4.45Å; W170-L597 HydrophobicContact CZ3-CD2 4.17Å; L173-L597 HydrophobicContact CD2-CD2 3.9Å; L497-L597 HydrophobicContact CD1-CD2 4.01Å; L497-L597 HydrophobicContact CD1-CG 4.44Å; L497-L597 HydrophobicContact CD2-CD2 3.96Å; T593-L597 HydrophobicContact CG2-CD1 4.23Å; T593-L597 WeakPolarHBondContact O-CB 3.29Å; T593-L597 WeakPolarHBondContact O-CG 3.1Å; T593-L597 PolarHBondContact O-N 3.49Å; L594-L597 WeakPolarHBondContact O-CB 3.04Å; L594-L597 PolarHBondContact O-N 3.48Å; L597-S601 WeakPolarHBondContact O-CA 3.47Å; L597-S601 WeakPolarHBondContact O-CB 3.44Å; L597-S601 PolarHBondContact O-N 3.16Å; L597-F604 HydrophobicContact CB-CD1 3.81Å; L597-F604 HydrophobicContact CB-CE1 3.81Å; L597-F604 HydrophobicContact CB-CG 4.23Å; L597-F604 HydrophobicContact CB-CZ 4.26Å; L597-F604 HydrophobicContact CD1-CE2 4.33Å; L597-F604 HydrophobicContact CD1-CZ 4.25Å
598L75.9Confident74.2Confident63 Ų6340.2 Ų40.233%0.3320%0.203SC..Hα-helixtrans-65.9-38.3178.3-77.8169.2000113.2L594 P595 I596 F604 I608L594-L598 HydrophobicContact CG-CD1 4.16Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 2.82Å; P595-L598 PolarHBondContact O-N 2.93Å; I596-L598 PolarHBondContact O-N 3.43Å; L598-F604 HydrophobicContact CD2-CD1 4.15Å; L598-F604 HydrophobicContact CD2-CE1 4.13Å; L598-F604 HydrophobicContact CG-CD1 4.37Å; L598-F604 HydrophobicContact CG-CE1 4.15Å; L598-I608 HydrophobicContact CD2-CD1 3.47Å; L598-I608 VanDerWaalsContact CD2-CD1 3.47Å; L598-I608 HydrophobicContact CD2-CG2 4.49Å; L598-I608 HydrophobicContact CG-CD1 4.38Å
599C74.5Confident73.6Confident92 Ų9242.1 Ų42.162%0.62221%0.212SC*.Hα-helixtrans-79.1-43.9-178.1-72.60000112.5P595 I596P595-C599 WeakPolarHBondContact O-CB 3.33Å; P595-C599 PolarHBondContact O-N 3.26Å; P595-C599 PolarHBondContact O-SG 2.92Å; P595-C599 VanDerWaalsContact O-SG 3.32Å; I596-C599 PolarHBondContact O-N 3.32Å
600Q70.8Confident73Confident43 Ų4346.4 Ų46.420%0.20123%0.229CC..Hα-helixtrans-94.1-27.6-170.7-63.5-64.4-16.600113.2L497 C500 I596L497-Q600 HydrophobicContact CD1-CB 3.94Å; C500-Q600 HydrophobicContact CB-CG 4.48Å; I596-Q600 HydrophobicContact CG2-CG 4.28Å; I596-Q600 VanDerWaalsContact O-CB 3.3Å; I596-Q600 WeakPolarHBondContact O-CB 3.41Å; I596-Q600 PolarHBondContact O-N 2.77Å
601S69.7Low72.3Confident1 Ų149.2 Ų49.21%0.00724%0.239CC..  trans-101.7114.5-179.7-1750000113.9W170 E493 L597 K603 F604 R605W170-S601 WeakPolarHBondContact CH2-OG 3.5Å; E493-S601 WeakPolarHBondContact OE1-CA 3.25Å; E493-S601 WeakPolarHBondContact OE1-CB 3.48Å; E493-S601 PolarHBondContact OE1-OG 3.3Å; L597-S601 WeakPolarHBondContact O-CA 3.47Å; L597-S601 WeakPolarHBondContact O-CB 3.44Å; L597-S601 PolarHBondContact O-N 3.16Å; S601-K603 PolarHBondContact OG-N 3.02Å; S601-F604 PolarHBondContact OG-N 3.35Å; S601-R605 WeakPolarHBondContact O-CB 3.29Å; S601-R605 PolarHBondContact O-N 3Å
602L63.8Low71.7Confident34 Ų3453.5 Ų53.518%0.17826%0.256CS..Hα-helixtrans-64.6-44.6171.7-73.1139.5000110.9E493 F604 R605 H606E493-L602 PolarHBondContact OE1-N 3.04Å; L602-F604 VanDerWaalsContact C-N 3.3Å; L602-F604 PolarHBondContact O-N 3.4Å; L602-R605 PolarHBondContact O-N 2.67Å; L602-H606 PolarHBondContact O-CD2 3.15Å; L602-H606 PolarHBondContact O-N 3.25Å
603K67.1Low71.2Confident100 Ų10054.7 Ų54.744%0.43526%0.264SS..Hα-helixtrans-60-43.6-179-61.4-174-180-174.10110.9L140 S601 L607L140-K603 HydrophobicContact CD1-CB 3.73Å; S601-K603 PolarHBondContact OG-N 3.02Å; K603-L607 WeakPolarHBondContact O-CB 3.16Å; K603-L607 PolarHBondContact O-N 3.24Å; K603-L607 VanDerWaalsContact O-N 3.1Å
604F67.3Low70.5Confident0 Ų060.7 Ų60.70%029%0.288CS..Hα-helixtrans-66.5-43177.1-168.1-100.2000112.3I137 L594 L597 L598 S601 L602 L607 I608I137-F604 HydrophobicContact CG1-CE2 4.38Å; L594-F604 HydrophobicContact CD1-CE1 3.89Å; L594-F604 HydrophobicContact CD1-CZ 3.88Å; L597-F604 HydrophobicContact CB-CD1 3.81Å; L597-F604 HydrophobicContact CB-CE1 3.81Å; L597-F604 HydrophobicContact CB-CG 4.23Å; L597-F604 HydrophobicContact CB-CZ 4.26Å; L597-F604 HydrophobicContact CD1-CE2 4.33Å; L597-F604 HydrophobicContact CD1-CZ 4.25Å; L598-F604 HydrophobicContact CD2-CD1 4.15Å; L598-F604 HydrophobicContact CD2-CE1 4.13Å; L598-F604 HydrophobicContact CG-CD1 4.37Å; L598-F604 HydrophobicContact CG-CE1 4.15Å; S601-F604 PolarHBondContact OG-N 3.35Å; L602-F604 VanDerWaalsContact C-N 3.3Å; L602-F604 PolarHBondContact O-N 3.4Å; F604-L607 WeakPolarHBondContact O-CB 3.49Å; F604-L607 PolarHBondContact O-N 3.42Å; F604-I608 HydrophobicContact CD1-CD1 3.62Å; F604-I608 HydrophobicContact CD1-CG1 4.45Å; F604-I608 HydrophobicContact CE1-CD1 3.13Å; F604-I608 HydrophobicContact CE1-CG1 4.23Å; F604-I608 HydrophobicContact CZ-CD1 3.7Å; F604-I608 PolarHBondContact O-N 3.36Å
605R67.6Low69.9Low70 Ų7065.8 Ų65.826%0.26431%0.306SS..Hα-helixtrans-62.8-44.2177.5-177.4171.362.6-151.44.2112.6S601 L602 L607 I608 Q609S601-R605 WeakPolarHBondContact O-CB 3.29Å; S601-R605 PolarHBondContact O-N 3Å; L602-R605 PolarHBondContact O-N 2.67Å; R605-L607 VanDerWaalsContact C-N 3.32Å; R605-L607 PolarHBondContact O-N 2.93Å; R605-I608 PolarHBondContact O-N 3.17Å; R605-Q609 WeakPolarHBondContact O-CB 3.49Å; R605-Q609 WeakPolarHBondContact O-CG 3.32Å; R605-Q609 PolarHBondContact O-N 2.78Å
606H64.8Low69.3Low84 Ų8469.3 Ų69.339%0.38932%0.316SS..Hα-helixtrans-63.3-39.8176.4-79.1-61000112L602 Q609 Y610L602-H606 PolarHBondContact O-CD2 3.15Å; L602-H606 PolarHBondContact O-N 3.25Å; H606-Q609 PolarHBondContact ND1-OE1 2.95Å; H606-Q609 PolarHBondContact O-N 3.44Å; H606-Y610 WeakPolarHBondContact O-CB 3.32Å; H606-Y610 PolarHBondContact O-N 3.35Å
607L67.4Low68.7Low17 Ų1773.7 Ų73.79%0.08934%0.336CS..Hα-helixtrans-61.1-45.1174.8-177134.8000111.5R139 L140 L143 K603 F604 R605 Y610 Y611R139-L607 HydrophobicContact CB-CD1 4.1Å; R139-L607 HydrophobicContact CB-CD2 4.44Å; L140-L607 HydrophobicContact CB-CD1 4.17Å; L143-L607 HydrophobicContact CD1-CD1 3.47Å; L143-L607 VanDerWaalsContact CD1-CD1 3.47Å; K603-L607 WeakPolarHBondContact O-CB 3.16Å; K603-L607 PolarHBondContact O-N 3.24Å; K603-L607 VanDerWaalsContact O-N 3.1Å; F604-L607 WeakPolarHBondContact O-CB 3.49Å; F604-L607 PolarHBondContact O-N 3.42Å; R605-L607 VanDerWaalsContact C-N 3.32Å; R605-L607 PolarHBondContact O-N 2.93Å; L607-Y610 PolarHBondContact O-N 3.39Å; L607-Y611 HydrophobicContact CD1-CE2 4.33Å; L607-Y611 HydrophobicContact CD2-CD2 3.66Å; L607-Y611 HydrophobicContact CD2-CE2 3.6Å; L607-Y611 HydrophobicContact CG-CD2 3.91Å; L607-Y611 HydrophobicContact CG-CE2 3.71Å; L607-Y611 WeakPolarHBondContact O-CD2 2.96Å; L607-Y611 PolarHBondContact O-N 2.99Å
608I69.4Low68.3Low39 Ų3976.9 Ų76.920%0.236%0.355CS..Hα-helixtrans-65.6-42.9176.8-75.6178.4000111.7L598 F604 R605 Y610 Y611 F612L598-I608 HydrophobicContact CD2-CD1 3.47Å; L598-I608 VanDerWaalsContact CD2-CD1 3.47Å; L598-I608 HydrophobicContact CD2-CG2 4.49Å; L598-I608 HydrophobicContact CG-CD1 4.38Å; F604-I608 HydrophobicContact CD1-CD1 3.62Å; F604-I608 HydrophobicContact CD1-CG1 4.45Å; F604-I608 HydrophobicContact CE1-CD1 3.13Å; F604-I608 HydrophobicContact CE1-CG1 4.23Å; F604-I608 HydrophobicContact CZ-CD1 3.7Å; F604-I608 PolarHBondContact O-N 3.36Å; R605-I608 PolarHBondContact O-N 3.17Å; I608-Y610 VanDerWaalsContact C-N 3.32Å; I608-Y610 PolarHBondContact O-N 3.02Å; I608-Y611 PolarHBondContact O-N 3.44Å; I608-F612 HydrophobicContact CG2-CD2 3.48Å; I608-F612 VanDerWaalsContact CG2-CD2 3.48Å; I608-F612 HydrophobicContact CG2-CE2 3.41Å; I608-F612 VanDerWaalsContact CG2-CE2 3.41Å; I608-F612 VanDerWaalsContact O-CD2 3.25Å; I608-F612 WeakPolarHBondContact O-CD2 3.32Å; I608-F612 PolarHBondContact O-N 3.3Å
609Q68.6Low67.8Low92 Ų9277.2 Ų77.243%0.4336%0.357SS..Hα-helixtrans-58.6-45.3174.4-75.5175.2-15.900111.4R605 H606 Y611 F612 I613R605-Q609 WeakPolarHBondContact O-CB 3.49Å; R605-Q609 WeakPolarHBondContact O-CG 3.32Å; R605-Q609 PolarHBondContact O-N 2.78Å; H606-Q609 PolarHBondContact ND1-OE1 2.95Å; H606-Q609 PolarHBondContact O-N 3.44Å; Q609-Y611 VanDerWaalsContact C-N 3.33Å; Q609-Y611 PolarHBondContact O-N 3.07Å; Q609-F612 PolarHBondContact O-N 3.37Å; Q609-I613 VanDerWaalsContact O-CG1 3.25Å; Q609-I613 WeakPolarHBondContact O-CG1 3.34Å; Q609-I613 PolarHBondContact O-N 3.01Å
610Y63.9Low67.6Low115 Ų11579.8 Ų79.845%0.45136%0.357SS..Hα-helixtrans-59.7-44.1175.4-178.5-95.3000111.6I152 H606 L607 I608 I613 Y614I152-Y610 HydrophobicContact CD1-CE1 4.21Å; I152-Y610 HydrophobicContact CD1-CE2 4.41Å; I152-Y610 WeakPolarHBondContact CD1-OH 3.35Å; H606-Y610 WeakPolarHBondContact O-CB 3.32Å; H606-Y610 PolarHBondContact O-N 3.35Å; L607-Y610 PolarHBondContact O-N 3.39Å; I608-Y610 VanDerWaalsContact C-N 3.32Å; I608-Y610 PolarHBondContact O-N 3.02Å; Y610-I613 PolarHBondContact O-N 3.22Å; Y610-Y614 WeakPolarHBondContact O-CB 3.25Å; Y610-Y614 PolarHBondContact O-N 2.58Å
611Y67Low67.2Low66 Ų6683.3 Ų83.326%0.25938%0.375SS..Hα-helixtrans-64.1-40.8175.7-85-60.6000113.3R139 L607 I608 Q609 Y614 Y615R139-Y611 HydrophobicContact CB-CE2 4.4Å; R139-Y611 WeakPolarHBondContact CD-OH 3.18Å; R139-Y611 VanDerWaalsContact CZ-CZ 3.47Å; R139-Y611 PolarHBondContact NE-OH 3.37Å; R139-Y611 VanDerWaalsContact NH1-CD1 3.29Å; R139-Y611 PolarHBondContact NH1-OH 3.14Å; L607-Y611 HydrophobicContact CD1-CE2 4.33Å; L607-Y611 HydrophobicContact CD2-CD2 3.66Å; L607-Y611 HydrophobicContact CD2-CE2 3.6Å; L607-Y611 HydrophobicContact CG-CD2 3.91Å; L607-Y611 HydrophobicContact CG-CE2 3.71Å; L607-Y611 WeakPolarHBondContact O-CD2 2.96Å; L607-Y611 PolarHBondContact O-N 2.99Å; I608-Y611 PolarHBondContact O-N 3.44Å; Q609-Y611 VanDerWaalsContact C-N 3.33Å; Q609-Y611 PolarHBondContact O-N 3.07Å; Y611-Y614 PolarHBondContact O-N 3.16Å; Y611-Y615 WeakPolarHBondContact O-CB 3.37Å; Y611-Y615 PolarHBondContact O-N 3.47Å
612F69.5Low67.1Low122 Ų12289 Ų8954%0.53541%0.405SS..Hα-helixtrans-63.9-44.5174.9-85.9-67.8000111.3I608 Q609 Y614 Y615 F616I608-F612 HydrophobicContact CG2-CD2 3.48Å; I608-F612 VanDerWaalsContact CG2-CD2 3.48Å; I608-F612 HydrophobicContact CG2-CE2 3.41Å; I608-F612 VanDerWaalsContact CG2-CE2 3.41Å; I608-F612 VanDerWaalsContact O-CD2 3.25Å; I608-F612 WeakPolarHBondContact O-CD2 3.32Å; I608-F612 PolarHBondContact O-N 3.3Å; Q609-F612 PolarHBondContact O-N 3.37Å; F612-Y614 PolarHBondContact O-N 3.08Å; F612-Y615 PolarHBondContact O-N 3.04Å; F612-F616 HydrophobicContact CB-CD2 4.48Å; F612-F616 HydrophobicContact CD1-CE2 4.24Å; F612-F616 WeakPolarHBondContact O-CB 3.35Å; F612-F616 WeakPolarHBondContact O-CD2 3.44Å; F612-F616 PolarHBondContact O-N 2.94Å
613I69.4Low67.3Low97 Ų9793.3 Ų93.350%0.49742%0.424SS..Hα-helixtrans-60-47.8176.4-67.9164.5000110.3Q609 Y610 Y615 F616 Q617Q609-I613 VanDerWaalsContact O-CG1 3.25Å; Q609-I613 WeakPolarHBondContact O-CG1 3.34Å; Q609-I613 PolarHBondContact O-N 3.01Å; Y610-I613 PolarHBondContact O-N 3.22Å; I613-Y615 PolarHBondContact O-N 2.92Å; I613-F616 PolarHBondContact O-N 2.84Å; I613-Q617 HydrophobicContact CG2-CG 4.48Å; I613-Q617 WeakPolarHBondContact O-CB 3.32Å; I613-Q617 VanDerWaalsContact O-CG 3.28Å; I613-Q617 WeakPolarHBondContact O-CG 3.39Å; I613-Q617 PolarHBondContact O-N 3.31Å
614Y64.7Low67.1Low130 Ų13092.8 Ų92.851%0.5143%0.425SS..Hα-helixtrans-62.7-41.8177.9-176.8-96000112.2Y610 Y611 F612 Q617 T618Y610-Y614 WeakPolarHBondContact O-CB 3.25Å; Y610-Y614 PolarHBondContact O-N 2.58Å; Y611-Y614 PolarHBondContact O-N 3.16Å; F612-Y614 PolarHBondContact O-N 3.08Å; Y614-Q617 PolarHBondContact O-N 3.18Å; Y614-T618 WeakPolarHBondContact O-CB 3.07Å; Y614-T618 PolarHBondContact O-N 3.05Å; Y614-T618 PolarHBondContact O-OG1 3.4Å
615Y70.1Confident66.3Low136 Ų13695.9 Ų95.953%0.53345%0.446SS..Hα-helixtrans-63.8-45176.4179.8-102.7000111.7Y611 F612 I613 T618 L619Y611-Y615 WeakPolarHBondContact O-CB 3.37Å; Y611-Y615 PolarHBondContact O-N 3.47Å; F612-Y615 PolarHBondContact O-N 3.04Å; I613-Y615 PolarHBondContact O-N 2.92Å; Y615-T618 PolarHBondContact O-N 3.2Å; Y615-L619 HydrophobicContact CD1-CD1 3.83Å; Y615-L619 HydrophobicContact CD1-CG 4.4Å; Y615-L619 HydrophobicContact CE1-CD1 3.25Å; Y615-L619 HydrophobicContact CE1-CG 3.99Å; Y615-L619 HydrophobicContact CE2-CG 4.44Å; Y615-L619 PolarHBondContact O-N 3.06Å
616F67.5Low66.1Low133 Ų13399.2 Ų99.258%0.58346%0.463SS*.Hα-helixtrans-64.3-38.9174.7-81.5-63.9000112.3F612 I613 T618 L619 K620F612-F616 HydrophobicContact CB-CD2 4.48Å; F612-F616 HydrophobicContact CD1-CE2 4.24Å; F612-F616 WeakPolarHBondContact O-CB 3.35Å; F612-F616 WeakPolarHBondContact O-CD2 3.44Å; F612-F616 PolarHBondContact O-N 2.94Å; I613-F616 PolarHBondContact O-N 2.84Å; F616-T618 VanDerWaalsContact C-N 3.34Å; F616-L619 PolarHBondContact O-N 3.32Å; F616-K620 WeakPolarHBondContact O-CB 3.26Å; F616-K620 PolarHBondContact O-N 3.43Å
617Q66Low65.9Low114 Ų11499.7 Ų99.753%0.53347%0.467SS..Hα-helixtrans-62.6-42.4172.8-75.5175.8-900111.4I613 Y614 K620 M621I613-Q617 HydrophobicContact CG2-CG 4.48Å; I613-Q617 WeakPolarHBondContact O-CB 3.32Å; I613-Q617 VanDerWaalsContact O-CG 3.28Å; I613-Q617 WeakPolarHBondContact O-CG 3.39Å; I613-Q617 PolarHBondContact O-N 3.31Å; Y614-Q617 PolarHBondContact O-N 3.18Å; Q617-K620 WeakPolarHBondContact O-CB 3.5Å; Q617-K620 PolarHBondContact O-N 3.05Å; Q617-M621 WeakPolarHBondContact O-CG 3.22Å; Q617-M621 PolarHBondContact O-N 2.96Å
618T68.5Low65.2Low66 Ų66101.5 Ų101.541%0.40548%0.481SS..Hα-helixtrans-66.2-43.6178-51.70000111.4Y614 Y615 F616 K620 M621 L622Y614-T618 WeakPolarHBondContact O-CB 3.07Å; Y614-T618 PolarHBondContact O-N 3.05Å; Y614-T618 PolarHBondContact O-OG1 3.4Å; Y615-T618 PolarHBondContact O-N 3.2Å; F616-T618 VanDerWaalsContact C-N 3.34Å; T618-K620 VanDerWaalsContact C-N 3.33Å; T618-K620 PolarHBondContact O-N 2.98Å; T618-M621 PolarHBondContact O-N 3.32Å; T618-L622 WeakPolarHBondContact O-CB 3.35Å; T618-L622 PolarHBondContact O-N 2.98Å
619L66.3Low64.4Low70 Ų70104.4 Ų104.437%0.36650%0.497SS..Hα-helixtrans-61-41.3173.1-79.9177.3000111.7Y615 F616 L622 H623Y615-L619 HydrophobicContact CD1-CD1 3.83Å; Y615-L619 HydrophobicContact CD1-CG 4.4Å; Y615-L619 HydrophobicContact CE1-CD1 3.25Å; Y615-L619 HydrophobicContact CE1-CG 3.99Å; Y615-L619 HydrophobicContact CE2-CG 4.44Å; Y615-L619 PolarHBondContact O-N 3.06Å; F616-L619 PolarHBondContact O-N 3.32Å; L619-L622 PolarHBondContact O-N 2.89Å; L619-H623 VanDerWaalsContact O-CB 3.32Å; L619-H623 WeakPolarHBondContact O-CB 3.36Å; L619-H623 PolarHBondContact O-N 3.4Å
620K70.5Confident63.7Low147 Ų147106.7 Ų106.764%0.63951%0.505SS*.Hα-helixtrans-61.7-44.1175.6-170.7178.3179.2-178.20111F616 Q617 T618 H623 L624F616-K620 WeakPolarHBondContact O-CB 3.26Å; F616-K620 PolarHBondContact O-N 3.43Å; Q617-K620 WeakPolarHBondContact O-CB 3.5Å; Q617-K620 PolarHBondContact O-N 3.05Å; T618-K620 VanDerWaalsContact C-N 3.33Å; T618-K620 PolarHBondContact O-N 2.98Å; K620-H623 PolarHBondContact O-N 3.18Å; K620-L624 HydrophobicContact CG-CD1 4.23Å; K620-L624 WeakPolarHBondContact O-CB 3.49Å; K620-L624 VanDerWaalsContact O-CG 3.24Å; K620-L624 WeakPolarHBondContact O-CG 3.42Å; K620-L624 PolarHBondContact O-N 3.19Å
621M61.8Low63.1Low117 Ų117104.3 Ų104.358%0.57651%0.505SS*.Hα-helixtrans-65.5-40.2175.8-70.1-58-6700112.7Q617 T618 H623 L624 C625Q617-M621 WeakPolarHBondContact O-CG 3.22Å; Q617-M621 PolarHBondContact O-N 2.96Å; T618-M621 PolarHBondContact O-N 3.32Å; M621-H623 VanDerWaalsContact C-N 3.35Å; M621-L624 PolarHBondContact O-N 2.77Å; M621-L624 HydrophobicContact SD-CD1 4.25Å; M621-C625 PolarHBondContact O-N 3.46Å; M621-C625 PolarHBondContact O-SG 3.39Å
622L68.6Low62.3Low121 Ų121107.4 Ų107.463%0.63452%0.522SS*.Hα-helixtrans-64.5-41.3175.5-16390.5000111.1T618 L619 C625 K626T618-L622 WeakPolarHBondContact O-CB 3.35Å; T618-L622 PolarHBondContact O-N 2.98Å; L619-L622 PolarHBondContact O-N 2.89Å; L622-C625 PolarHBondContact O-N 3.37Å; L622-K626 WeakPolarHBondContact O-CB 3.17Å; L622-K626 PolarHBondContact O-N 3.47Å
623H67.3Low61.1Low124 Ų124107 Ų10757%0.57453%0.525SS*.Hα-helixtrans-67.9-37.7177.2-151.2-61.3000111.4L619 K620 M621 K626 I627L619-H623 VanDerWaalsContact O-CB 3.32Å; L619-H623 WeakPolarHBondContact O-CB 3.36Å; L619-H623 PolarHBondContact O-N 3.4Å; K620-H623 PolarHBondContact O-N 3.18Å; M621-H623 VanDerWaalsContact C-N 3.35Å; H623-K626 PolarHBondContact O-N 3.24Å; H623-I627 WeakPolarHBondContact ND1-CD1 3.31Å; H623-I627 WeakPolarHBondContact O-CB 3.28Å; H623-I627 WeakPolarHBondContact O-CD1 3.5Å; H623-I627 WeakPolarHBondContact O-CG1 3.27Å; H623-I627 PolarHBondContact O-N 2.96Å
624L63.1Low60.1Low88 Ų88112.1 Ų112.146%0.46154%0.54SS..Hα-helixtrans-65.3-42.9172.6-74.2167.6000111.8K620 M621 I627 S628K620-L624 HydrophobicContact CG-CD1 4.23Å; K620-L624 WeakPolarHBondContact O-CB 3.49Å; K620-L624 VanDerWaalsContact O-CG 3.24Å; K620-L624 WeakPolarHBondContact O-CG 3.42Å; K620-L624 PolarHBondContact O-N 3.19Å; M621-L624 PolarHBondContact O-N 2.77Å; M621-L624 HydrophobicContact SD-CD1 4.25Å; L624-I627 PolarHBondContact O-N 2.81Å; L624-S628 PolarHBondContact O-N 3.39Å
625C50.1Low59.1Low66 Ų66113.2 Ų113.245%0.44655%0.549SS..Hα-helixtrans-63.8-39.8174-75.60000112.1M621 L622 I627 S628 L629M621-C625 PolarHBondContact O-N 3.46Å; M621-C625 PolarHBondContact O-SG 3.39Å; L622-C625 PolarHBondContact O-N 3.37Å; C625-I627 VanDerWaalsContact C-N 3.32Å; C625-I627 PolarHBondContact O-N 3.01Å; C625-S628 PolarHBondContact O-N 3.49Å; C625-S628 PolarHBondContact O-OG 3.1Å; C625-L629 WeakPolarHBondContact O-CB 3.43Å; C625-L629 PolarHBondContact O-N 3.01Å
626K64.2Low57.5Low140 Ų140110.6 Ų110.661%0.60955%0.545SS*.Hα-helixtrans-66.7-34.8176.5-168.5175.5-178.1177.80111.9L622 H623 K630L622-K626 WeakPolarHBondContact O-CB 3.17Å; L622-K626 PolarHBondContact O-N 3.47Å; H623-K626 PolarHBondContact O-N 3.24Å; K626-K630 WeakPolarHBondContact O-CB 3.46Å; K626-K630 PolarHBondContact O-N 3.06Å; K626-K630 VanDerWaalsContact O-N 3.09Å
627I59.5Low56.4Low94 Ų94110.4 Ų110.448%0.48256%0.557SS.*Hα-helixtrans-70.4-42.3173.1-68.9164.8000110.5H623 L624 C625 K630 S631H623-I627 WeakPolarHBondContact ND1-CD1 3.31Å; H623-I627 WeakPolarHBondContact O-CB 3.28Å; H623-I627 WeakPolarHBondContact O-CD1 3.5Å; H623-I627 WeakPolarHBondContact O-CG1 3.27Å; H623-I627 PolarHBondContact O-N 2.96Å; L624-I627 PolarHBondContact O-N 2.81Å; C625-I627 VanDerWaalsContact C-N 3.32Å; C625-I627 PolarHBondContact O-N 3.01Å; I627-K630 PolarHBondContact O-N 3.24Å; I627-S631 WeakPolarHBondContact O-CB 3.44Å; I627-S631 PolarHBondContact O-N 2.98Å
628S54.2Low55.4Low55 Ų55108.6 Ų108.639%0.38556%0.557SS.*Hα-helixtrans-66.7-40.2178.775.90000112.1L624 C625 S631 Q632L624-S628 PolarHBondContact O-N 3.39Å; C625-S628 PolarHBondContact O-N 3.49Å; C625-S628 PolarHBondContact O-OG 3.1Å; S628-S631 PolarHBondContact O-N 3.15Å; S628-Q632 WeakPolarHBondContact O-CB 3.38Å; S628-Q632 WeakPolarHBondContact O-CG 3.39Å; S628-Q632 PolarHBondContact O-N 2.98Å
629L51Low54.2Low100 Ų100112.9 Ų112.952%0.52457%0.566SS.*Hα-helixtrans-65.7-40174.1-93.9147.8000112.5C625 N633C625-L629 WeakPolarHBondContact O-CB 3.43Å; C625-L629 PolarHBondContact O-N 3.01Å; L629-N633 WeakPolarHBondContact O-CB 3.35Å; L629-N633 PolarHBondContact O-N 2.95Å; L629-N633 VanDerWaalsContact O-N 3.13Å
630K54.8Low53.1Low140 Ų140115.3 Ų115.361%0.60958%0.578SS**Hα-helixtrans-67.9-37.4172.6-89.6-169.6170.7-167.50112.4K626 I627 Y634K626-K630 WeakPolarHBondContact O-CB 3.46Å; K626-K630 PolarHBondContact O-N 3.06Å; K626-K630 VanDerWaalsContact O-N 3.09Å; I627-K630 PolarHBondContact O-N 3.24Å; K630-Y634 WeakPolarHBondContact O-CD2 3.49Å; K630-Y634 PolarHBondContact O-N 3.3Å
631S51.7Low51.8Low65 Ų65116.2 Ų116.246%0.45558%0.584SS.*Hα-helixtrans-65.4-44.6177.1169.80000111.5I627 S628 N633 Y634 H635I627-S631 WeakPolarHBondContact O-CB 3.44Å; I627-S631 PolarHBondContact O-N 2.98Å; S628-S631 PolarHBondContact O-N 3.15Å; S631-N633 PolarHBondContact O-N 2.74Å; S631-Y634 PolarHBondContact O-N 3.44Å; S631-H635 PolarHBondContact O-N 3.43Å
632Q48.9Very low51.1Low130 Ų130116 Ų11661%0.60759%0.585SS**Hα-helixtrans-66.3-37.2177.5-78.3178.8-30.800112.6S628 Y634 H635S628-Q632 WeakPolarHBondContact O-CB 3.38Å; S628-Q632 WeakPolarHBondContact O-CG 3.39Å; S628-Q632 PolarHBondContact O-N 2.98Å; Q632-Y634 VanDerWaalsContact C-N 3.26Å; Q632-Y634 PolarHBondContact O-N 3.17Å; Q632-H635 PolarHBondContact O-N 3.44Å
633N45.8Very low50.2Low113 Ų113114.1 Ų114.160%0.60458%0.579SS**Hα-helixtrans-71.4-15.7177.4-77.3-2.3000114.4L629 S631L629-N633 WeakPolarHBondContact O-CB 3.35Å; L629-N633 PolarHBondContact O-N 2.95Å; L629-N633 VanDerWaalsContact O-N 3.13Å; S631-N633 PolarHBondContact O-N 2.74Å
634Y46.9Very low49.2Very low205 Ų205113.9 Ų113.980%0.80458%0.581SS**Hα-helixtrans-94.8-15.4175.8-95-84.4000113.8K630 S631 Q632K630-Y634 WeakPolarHBondContact O-CD2 3.49Å; K630-Y634 PolarHBondContact O-N 3.3Å; S631-Y634 PolarHBondContact O-N 3.44Å; Q632-Y634 VanDerWaalsContact C-N 3.26Å; Q632-Y634 PolarHBondContact O-N 3.17Å
635H44.3Very low48.1Very low153 Ų153115.4 Ų115.471%0.70859%0.59SS**Hα-helixtrans-111.6-5.3-170.2-95.9-46.4000117.5S631 Q632S631-H635 PolarHBondContact O-N 3.43Å; Q632-H635 PolarHBondContact O-N 3.44Å
636N36.5Very low48Very low82 Ų82116.4 Ų116.444%0.43959%0.594SS.*  trans-165.6105.4162.4-104.7-27.1000111.3S638 Y639N636-S638 PolarHBondContact O-N 3.12Å; N636-S638 PolarHBondContact OD1-OG 3.32Å; N636-Y639 HydrophobicContact CB-CD2 4.16Å; N636-Y639 WeakPolarHBondContact ND2-CD2 3.47Å
637P45.3Very low47.2Very low129 Ų129115 Ų11584%0.83860%0.597SS**THydrogen-bonded Turntrans-63.2-14.3166.1-15.128.8000112.7
638S43.8Very low46.6Very low75 Ų75115.9 Ų115.952%0.52461%0.607SS.*THydrogen-bonded Turntrans-94.5-8.1-170.753.40000115.9N636N636-S638 PolarHBondContact O-N 3.12Å; N636-S638 PolarHBondContact OD1-OG 3.32Å
639Y44.6Very low46Very low156 Ų156119.7 Ų119.761%0.61262%0.623SS**SBendtrans-97.3-5.9-175.4-102.4-88.3000115.3N636 T643N636-Y639 HydrophobicContact CB-CD2 4.16Å; N636-Y639 WeakPolarHBondContact ND2-CD2 3.47Å; Y639-T643 PolarHBondContact O-OG1 3.12Å
640M43.1Very low45.3Very low122 Ų122122.1 Ų122.160%0.60164%0.635SS**THydrogen-bonded Turntrans-79.8-18.2-177.9-90.9-88.7160.700114.1
641E42.6Very low44.4Very low165 Ų165123.1 Ų123.177%0.77165%0.647SS**THydrogen-bonded Turntrans-80.3-35.1176-99.6174.7153.700112.9
642D46.2Very low43.7Very low113 Ų113125.5 Ų125.560%0.60466%0.66SS**Hα-helixtrans-82-22.1-174.8-76.7-23.1000114.4T646D642-T646 PolarHBondContact O-OG1 3.12Å; D642-T646 VanDerWaalsContact O-OG1 3.05Å
643T50.4Low42.8Very low81 Ų81124.2 Ų124.250%0.49767%0.665SS.*Hα-helixtrans-84.1-17.617719.70000113.9Y639Y639-T643 PolarHBondContact O-OG1 3.12Å
644L45.9Very low42.3Very low120 Ų120125.6 Ų125.663%0.62867%0.671SS**Hα-helixtrans-77.2-29173.8-121.490.6000112.3T647L644-T647 PolarHBondContact O-OG1 3.44Å
645N41.3Very low41.7Very low119 Ų119123.3 Ų123.364%0.63667%0.673SS**Hα-helixtrans-79.6-22.5-179.4-72.6-20.7000113.5
646T46.7Very low41.3Very low87 Ų87124.7 Ų124.753%0.53468%0.679SS.*Hα-helixtrans-83-20.2-178.816.60000113.9D642 V648D642-T646 PolarHBondContact O-OG1 3.12Å; D642-T646 VanDerWaalsContact O-OG1 3.05Å; T646-V648 VanDerWaalsContact C-N 3.33Å; T646-V648 PolarHBondContact O-N 3.17Å
647T47.1Very low41.1Very low111 Ų111128.3 Ų128.368%0.68170%0.699SS**THydrogen-bonded Turntrans-82.4-7.9-18042.70000114L644L644-T647 PolarHBondContact O-OG1 3.44Å
648V47.3Very low40.7Very low112 Ų112128 Ų12868%0.67969%0.694SS**THydrogen-bonded Turntrans-86.6-15.6178.2179.30000113T646T646-V648 VanDerWaalsContact C-N 3.33Å; T646-V648 PolarHBondContact O-N 3.17Å
649N41.7Very low40.1Very low136 Ų136132.6 Ų132.673%0.72771%0.713SS**SBendtrans-105.94.7-171.1-86.6-11.2000117
650L37.3Very low39.7Very low150 Ų150132.1 Ų132.179%0.78572%0.719SS**  trans-96.613.1-174.5-100.6134.3000115.9T652L650-T652 VanDerWaalsContact C-N 3.26Å; L650-T652 PolarHBondContact O-N 3.14Å; L650-T652 VanDerWaalsContact O-N 3.13Å
651N35.3Very low38.9Very low161 Ų161135.6 Ų135.686%0.86173%0.734SS**  trans-84.453.2172.2-86.8-8.8000113
652T35.9Very low38.4Very low116 Ų116133.6 Ų133.671%0.71274%0.737SS**  trans-161.7120.7162.636.20000110.6L650L650-T652 VanDerWaalsContact C-N 3.26Å; L650-T652 PolarHBondContact O-N 3.14Å; L650-T652 VanDerWaalsContact O-N 3.13Å
653S31.7Very low37.7Very low102 Ų102133.5 Ų133.571%0.71375%0.745SS**  trans88.6130.2139.982.50000118.9
654I34.4Very low36.7Very low142 Ų142138.4 Ų138.473%0.72876%0.762SS**  trans103.289.3144-57.3151.8000116E656I654-E656 HydrophobicContact CG2-CB 4.45Å
655D33.4Very low36.2Very low158 Ų158140.8 Ų140.885%0.84577%0.774SS**  trans-47128.9133.7-78.5-46.9000110.6
656E36.8Very low35.7Very low182 Ų182143.7 Ų143.785%0.8578%0.781SS**  trans-170.8145.7142.4-108.7171.3-163.800112.6I654I654-E656 HydrophobicContact CG2-CB 4.45Å
657N33.1Very low35Very low158 Ų158146 Ų14685%0.84580%0.795SS**  trans-57.9139.2-170.4-65.4-51.7000115.9
658V35.6Very low34.2Very low122 Ų122146.3 Ų146.374%0.73980%0.797SS**  trans-143.3105.6151.1-1790000110.7I660V658-I660 HydrophobicContact CG1-CD1 3.79Å; V658-I660 HydrophobicContact CG1-CG1 3.73Å
659N31.4Very low33.7Very low171 Ų171148.5 Ų148.591%0.91481%0.805SS**  trans-81.1125.3158.8-88.8-21.4000108.5
660I35.6Very low33.3Very low146 Ų146149 Ų14975%0.74981%0.808SS**  trans-136.5114161.1-64174.6000108.4V658V658-I660 HydrophobicContact CG1-CD1 3.79Å; V658-I660 HydrophobicContact CG1-CG1 3.73Å
661E27.8Very low33.2Very low195 Ų195149.8 Ų149.891%0.91181%0.807SS**  trans-93.9131.8167.6-168.2173.8-148.100107.2
662C31.7Very low33.2Very low124 Ų124149.8 Ų149.884%0.83880%0.802SS**  trans-142.2136.3171.1-129.20000111
663S32.4Very low33Very low111 Ų111152 Ų15278%0.77681%0.808SS**  trans-78.1163.5-157.641.90000117.9
664E29.1Very low33.1Very low183 Ų183151.9 Ų151.986%0.85581%0.807SS**  trans-48.5142.3169.1-65.3175.8125.200115.1
665I34.2Very low32.9Very low170 Ų170149.4 Ų149.487%0.87280%0.803SS**  trans-139.7120.7148.3-61.1-177.3000108.8
666K30.5Very low32.7Very low180 Ų180149.8 Ų149.878%0.78380%0.799SS**  trans-79.9140.8162.4-81.6168.1167.1168.50109
667T32.6Very low32.6Very low135 Ų135149.2 Ų149.283%0.82880%0.796SS**  165.1144.2107.741.30000110.5
668T30.3Very low32.5Very low118 Ų118149.7 Ų149.772%0.72479%0.793SS**  trans-56.4152.8166.443.20000112.6
669D35.9Very low32.4Very low159 Ų159153.2 Ų153.285%0.8580%0.801SS**  trans-165.3151.8131.5-87.5-19000110.3
670D33.7Very low32.3Very low146 Ų146153.6 Ų153.678%0.78180%0.797SS**  trans-84.8-178.4-163.1-68.3-59.1000114.4
671E36.5Very low32.3Very low166 Ų166151.1 Ų151.178%0.77679%0.791SS**  trans113.8121.4142.7-74.2179.5174.100121.1
672E35.1Very low32.7Very low162 Ų162150.3 Ų150.376%0.75779%0.787SS**  trans75111.5142.5-65-179.1162.400119.9
673I31.8Very low32.7Very low162 Ų162152.4 Ų152.483%0.83178%0.783SS**  74.7121.364.1-64.2172.5000114.2
674S32.3Very low32.8Very low100 Ų100155.5 Ų155.570%0.69979%0.786SS**  trans108.1109.9143.6-158.70000121.4
675S31.9Very low32.9Very low90 Ų90153.6 Ų153.663%0.62978%0.777SS**  79.8133.7122.469.40000124.6
676Q29.2Very low32.8Very low166 Ų166156.6 Ų156.678%0.77678%0.779SS**  trans80115.4138.4-79.9171.5-9.400121.3
677H34.9Very low32.8Very low170 Ų170154.8 Ų154.879%0.78778%0.777SS**  168105.1122.7-84.4-38.4000109.4
678Q29.1Very low32.7Very low168 Ų168153 Ų15379%0.78577%0.77SS**  43.4109.596.6-84.3-177.8-15.600115.6
679H34.6Very low33Very low195 Ų195155.4 Ų155.490%0.90377%0.772SS**  -174.7124.4122.3-95.8-60.7000112.6
680H28.1Very low32.9Very low180 Ų180155.9 Ų155.983%0.83377%0.769SS**  trans-78.8-175165.6-110.4-26.2000110.6
681P37.4Very low32.9Very low94 Ų94158.7 Ų158.761%0.6178%0.777SS**  cis-140.3-170.5-20.431.9-8.7000113.1
682H35Very low32.9Very low178 Ų178153.4 Ų153.482%0.82477%0.767SS**  trans149.4101.7146.7-83.9-68.8000110.4
683H32.4Very low33Very low167 Ų167153.8 Ų153.877%0.77377%0.769SS**  61.3104.175.3-111.9-65.6000116.8
684H33.5Very low33.4Very low177 Ų177154.2 Ų154.282%0.81977%0.767SS**  trans176103.2147.3-93.3-59.2000107.3
685Q31.5Very low34Very low143 Ų143157.8 Ų157.867%0.66877%0.773SS**  70.7102.365.1-161.1176.49.800114.6
686Y33.1Very low34.5Very low233 Ų233163.3 Ų163.391%0.91478%0.78SS**  trans-175.584.2149.9-94.6-73000106.2
687L31Very low35.1Very low142 Ų142165 Ų16574%0.74378%0.779SS**  29.3122.581.4-112.694.5000118
688S30.2Very low35.6Very low97 Ų97164.6 Ų164.668%0.67878%0.778SS**  trans91.9130.9148.4-62.40000119.9
689H35Very low36.3Very low169 Ų169164.4 Ų164.478%0.78278%0.777SS**  trans9292.3162.3-64.76.6000118.4
690H34.4Very low36.6Very low169 Ų169162.8 Ų162.878%0.78277%0.769SS**  -174.574.9107.3-98.8-69.3000110.8
691H34.2Very low37.2Very low205 Ų205162 Ų16295%0.94977%0.766SS**  trans-78.8107.6154.8-138.644.9000105.7
692G35.2Very low37.3Very low55 Ų55165.4 Ų165.457%0.56777%0.774SS**  trans167.2-3.6-179.400000119.3
693Q37.9Very low37.4Very low170 Ų170165.3 Ų165.379%0.79477%0.774SS**SBendtrans-1064.6-176-82-174.6-12.300116.1
694H40.4Very low37.5Very low171 Ų171163.6 Ų163.679%0.79278%0.775SS**SBendtrans-100.22.2177.5-107.4-71.2000115.5
695Q44.4Very low37.5Very low175 Ų175161.3 Ų161.382%0.81877%0.768SS**SBendtrans-118.13.5-179.9-104.8174-10.700115.4
696R41.9Very low37.5Very low206 Ų206160.8 Ų160.878%0.77777%0.774SS**SBendtrans-99.2-4.8171.6-83.9-173.2179.8177.51114.7
697R42.9Very low37.3Very low202 Ų202159.8 Ų159.876%0.76278%0.775SS**SBendtrans-88.1-7.9179.1-82-176.4173170.7-0.8114.8
698E45.2Very low37.4Very low161 Ų161159 Ų15975%0.75278%0.781SS**SBendtrans-107.8-3.1179.9-69-176.7161.400114.4
699Q44Very low37.4Very low164 Ų164162.9 Ų162.977%0.76679%0.788SS**SBendtrans-115.42.3174.8-75.4-176.2-10.900114.9
700Q41.5Very low37.3Very low160 Ų160162.2 Ų162.275%0.74879%0.791SS**SBendtrans-103.96.5169.7-85-177-15.200114.1
701Q39.9Very low37.4Very low165 Ų165162.8 Ų162.877%0.77179%0.794SS**SBendtrans-99.88.6172.7-87.1-178.1-9.400114.3
702Q40.1Very low37.4Very low165 Ų165159.9 Ų159.977%0.77179%0.785SS**SBendtrans-11813.3176.4-88.8173.3-5.700114.9
703Q37.1Very low37.2Very low176 Ų176162.8 Ų162.882%0.82279%0.788SS**SBendtrans-125.811.1173.7-84.2-177-11.500115.1I705Q703-I705 VanDerWaalsContact C-N 3.34Å
704T34.4Very low36.8Very low130 Ų130162.2 Ų162.280%0.79878%0.782SS**SBendtrans-103.945.8167.5-230000110.4
705I33.7Very low36.3Very low129 Ų129161.6 Ų161.666%0.66278%0.78SS**SBendtrans-135.3123166.9-59175.2000102.1Q703Q703-I705 VanDerWaalsContact C-N 3.34Å
706T30.6Very low35.6Very low132 Ų132161.7 Ų161.781%0.8177%0.773SS**SBendtrans90.166.3-168.873.20000115.7
707K30Very low35.1Very low213 Ų213155.2 Ų155.293%0.92675%0.753SS**  trans173.479.4149.7-98.7168.1-176.5-176.40110.5
708S32.5Very low34.5Very low124 Ų124148.1 Ų148.187%0.86773%0.733SS**  trans-167.25915365.40000107.4
709E30.5Very low33.6Very low180 Ų180144.1 Ų144.184%0.84172%0.723SS**  trans-92.8139.4153.6-74.4178.3153.700105.3
710D31.7Very low32.9Very low155 Ų155141 Ų14183%0.82971%0.711SS**  trans71.195.7174.3-53.6-29000116.9
711E36.5Very low32.3Very low181 Ų181141.9 Ų141.985%0.84671%0.709SS**  178.5142.8123.9-95.3178.2-177.700111.3
712D35.4Very low31.7Very low143 Ų143137.9 Ų137.977%0.76570%0.698SS**  trans83.577.1159.6-62.1-15.2000121.4
713D31.5Very low31.1Very low117 Ų117133.3 Ų133.363%0.62668%0.683SS**  29123104.1-111.214.2000119.4
714K28.8Very low30.5Very low157 Ų157129.4 Ų129.468%0.68368%0.676SS**  trans63.796.3150-63.4165.4-175131.80118
715Q29.3Very low30.2Very low158 Ų158128.6 Ų128.674%0.73867%0.674SS**  163.392.7123.3-87.9166.410.300110.4N199N199-Q715 VanDerWaalsContact ND2-CG 3.34Å; N199-Q715 WeakPolarHBondContact ND2-CG 3.47Å; N199-Q715 PolarHBondContact ND2-NE2 2.87Å; N199-Q715 VanDerWaalsContact ND2-NE2 3.13Å; N199-Q715 PolarHBondContact ND2-OE1 2.77Å
716R29.7Very low30Very low177 Ų177126.7 Ų126.767%0.66866%0.664SS**  trans-105.3108.9160.4-82.2-174.3-177.2178.14.3108.2
717I31.8Very low29.8Very low71 Ų71128 Ų12836%0.36467%0.666SS.*  trans-114.2111.4158.9-55.9-178.8000106.6N199 H201N199-I717 HydrophobicContact CB-CD1 4.12Å; N199-I717 VanDerWaalsContact CG-CD1 3.45Å; N199-I717 WeakPolarHBondContact OD1-CD1 3.33Å; H201-I717 VanDerWaalsContact CE1-CG2 3.42Å; H201-I717 WeakPolarHBondContact CE1-CG2 3.47Å
718P29.9Very low29.7Very low53 Ų53126.6 Ų126.634%0.34466%0.663SS.*  trans-129.882.7148.334.7-19.2000107.3I112I112-P718 HydrophobicContact CD1-CB 3.63Å; I112-P718 HydrophobicContact CD1-CG 3.8Å; I112-P718 HydrophobicContact CG1-CB 4.36Å
719S26.7Very low29.3Very low76 Ų76127.9 Ų127.953%0.53166%0.657SS.*  trans-149.6124.5169.963.60000109.3
720L30.6Very low29.2Very low99 Ų99126.6 Ų126.652%0.51865%0.654SS.*  trans153.464.5148.1-78.4161.8000110.6H201 C722H201-L720 WeakPolarHBondContact ND1-CD1 3.48Å; L720-C722 HydrophobicContact CD2-CB 3.76Å
721Y27Very low28.9Very low179 Ų179125.2 Ų125.270%0.70265%0.646SS**  -96.891.1114-90.4-100.8000105.5R583 C723R583-Y721 VanDerWaalsContact CZ-CE2 3.43Å; Y721-C723 PolarHBondContact O-N 3.34Å; Y721-C723 VanDerWaalsContact O-N 3.07Å
722C27.8Very low28.3Very low80 Ų80121 Ų12154%0.54164%0.637SS.*  trans-61.7111.4164.7-168.90000106.3L720 S724L720-C722 HydrophobicContact CD2-CB 3.76Å; C722-S724 PolarHBondContact O-N 3.14Å
723C27Very low27.9Very low70 Ų70119.9 Ų119.947%0.47364%0.637SS.*  trans-60.280.3146.8-82.10000107.4Y721 C725 I726Y721-C723 PolarHBondContact O-N 3.34Å; Y721-C723 VanDerWaalsContact O-N 3.07Å; C723-C725 PolarHBondContact O-N 3.18Å; C723-I726 HydrophobicContact CB-CD1 4.3Å
724S26.1Very low27.8Very low94 Ų94117.5 Ų117.566%0.65764%0.64SS**THydrogen-bonded Turntrans-70.530.8166.8600000111.7C722C722-S724 PolarHBondContact O-N 3.14Å
725C27.8Very low27.9Very low112 Ų112115.7 Ų115.776%0.75764%0.642SS**THydrogen-bonded Turntrans-121.46.4-177.4-560000112.9C723C723-C725 PolarHBondContact O-N 3.18Å
726I29.7Very low28Very low89 Ų89115.5 Ų115.546%0.45665%0.646SS.*SBendtrans-1234.6-179-63.2158.2000112.8V527 C723V527-I726 HydrophobicContact CB-CD1 4.17Å; V527-I726 HydrophobicContact CG1-CD1 3.8Å; V527-I726 HydrophobicContact CG1-CG1 4.09Å; V527-I726 HydrophobicContact CG1-CG2 4.24Å; V527-I726 HydrophobicContact CG2-CD1 3.77Å; C723-I726 HydrophobicContact CB-CD1 4.3Å
727N26.3Very low28Very low160 Ų160115.9 Ų115.986%0.85665%0.653SS**  trans-108.822.5176.3-862.3000115M729N727-M729 PolarHBondContact O-N 3.07Å
728Q26.3Very low28.1Very low183 Ų183119.6 Ų119.686%0.85567%0.674SS**  trans-96.185.2158.1-90.4-175.4-14.700109.4I730Q728-I730 PolarHBondContact O-N 3.04Å
729M25.8Very low28.3Very low152 Ų152128.9 Ų128.975%0.74972%0.72SS**  trans-51.3105.1151.8-152.8172.4-169.100106.9N727 L731N727-M729 PolarHBondContact O-N 3.07Å; M729-L731 HydrophobicContact CE-CD1 3.86Å; M729-L731 HydrophobicContact CE-CG 4.31Å; M729-L731 HydrophobicContact CG-CD1 3.86Å; M729-L731 HydrophobicContact CG-CG 3.99Å; M729-L731 PolarHBondContact O-N 3.25Å; M729-L731 HydrophobicContact SD-CD1 3.39Å; M729-L731 WeakPolarHBondContact SD-CD1 3.38Å; M729-L731 HydrophobicContact SD-CG 4.12Å
730I26.8Very low28.4Very low152 Ų152131.6 Ų131.678%0.77973%0.73SS**  trans-70.176.6158.2-60.2174000105Q728 S732Q728-I730 PolarHBondContact O-N 3.04Å; I730-S732 VanDerWaalsContact C-N 3.31Å; I730-S732 PolarHBondContact O-N 3.22Å
731L25.7Very low28.3Very low126 Ų126133.3 Ų133.366%0.6674%0.741SS**  trans-76.294.1152.8-94.7155000105M729 P733M729-L731 HydrophobicContact CE-CD1 3.86Å; M729-L731 HydrophobicContact CE-CG 4.31Å; M729-L731 HydrophobicContact CG-CD1 3.86Å; M729-L731 HydrophobicContact CG-CG 3.99Å; M729-L731 PolarHBondContact O-N 3.25Å; M729-L731 HydrophobicContact SD-CD1 3.39Å; M729-L731 WeakPolarHBondContact SD-CD1 3.38Å; M729-L731 HydrophobicContact SD-CG 4.12Å; L731-P733 WeakPolarHBondContact O-CD 3.46Å
732S25.2Very low28.4Very low93 Ų93130.7 Ų130.765%0.6574%0.743SS**  trans-57125.5162.3-65.40000108.1I730 G734I730-S732 VanDerWaalsContact C-N 3.31Å; I730-S732 PolarHBondContact O-N 3.22Å; S732-G734 PolarHBondContact O-N 2.95Å
733P26.7Very low28.4Very low119 Ų119133.7 Ų133.777%0.77376%0.755SS**  trans-75.781.616631.7-28.8000107.1L731 V735L731-P733 WeakPolarHBondContact O-CD 3.46Å; P733-V735 PolarHBondContact O-N 2.91Å
734G28.5Very low28.5Very low67 Ų67137.7 Ų137.769%0.69177%0.773SS**  trans-77.562.7162.200000109.4S732 N736S732-G734 PolarHBondContact O-N 2.95Å; G734-N736 PolarHBondContact O-N 3.48Å
735V30.9Very low28.6Very low119 Ų119140.6 Ų140.672%0.72178%0.78SS**  trans-78.397.4163.31770000105.5P733 K737P733-V735 PolarHBondContact O-N 2.91Å; V735-K737 VanDerWaalsContact C-N 3.31Å; V735-K737 PolarHBondContact O-N 3.22Å
736N32.6Very low28.7Very low154 Ų154142.6 Ų142.682%0.82478%0.782SS**  trans-56.3101.2158.6-77.1-13.5000107.1G734 D738G734-N736 PolarHBondContact O-N 3.48Å; N736-D738 PolarHBondContact O-N 3.43Å
737K28.7Very low28.6Very low185 Ų185146.8 Ų146.880%0.80481%0.807SS**  trans-70.2109.6146.2-76.5178.9174.11790104.8V735V735-K737 VanDerWaalsContact C-N 3.31Å; V735-K737 PolarHBondContact O-N 3.22Å
738D33.2Very low28.8Very low150 Ų150145.7 Ų145.780%0.80280%0.803SS**  trans169.678.8151.9-80-14.2000107.9N736N736-D738 PolarHBondContact O-N 3.43Å
739N35.7Very low29.1Very low248 Ų248142.3 Ų142.3100%1.32680%0.798SS**  trans176.90145.6-91.9-11000109.9

Retrieved 739 of 739 residues in 1347.3 ms (Link to these results)

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