A0A077YY92_TRITR Loading...

Spc97 Spc98 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 741 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
1M34.4Very low32.3Very low240 Ų240104.4 Ų104.4100%1.18253%0.532SS*.  0153.70-83.1180163.400109.5
2K35.2Very low32.3Very low194 Ų194107.8 Ų107.884%0.84355%0.545SS*.  trans51.485.5166.6-65.7-173.9176-177.90117.6
3Q31.4Very low32.5Very low166 Ų166106.5 Ų106.578%0.77655%0.548SS*.  trans42.499.1143.7-71152.4-40.100118.5
4T31.7Very low33Very low106 Ų10699.9 Ų99.965%0.6551%0.514SS*.  40.9113.182.763.80000113
5S34Very low33.2Very low72 Ų7293.9 Ų93.950%0.50348%0.484SS..  76.1160.664.979.20000111.4K57S5-K57 VanDerWaalsContact N-CE 3.32Å
6D31.1Very low33.6Very low65 Ų6592.8 Ų92.835%0.34848%0.483SS..  trans76160.5-132.7-78.1-37.5000113.8A56 K57 R62D6-A56 HydrophobicContact CB-CB 4.18Å; D6-K57 HydrophobicContact CB-CB 4.45Å; D6-K57 VanDerWaalsContact O-CE 3.29Å; D6-K57 WeakPolarHBondContact O-CE 3.43Å; D6-R62 IonicContact OD1-CZ 2.75Å; D6-R62 IonicContact OD1-NH1 2.66Å; D6-R62 PolarHBondContact OD1-NH1 3.41Å; D6-R62 IonicContact OD1-NH2 3.14Å; D6-R62 IonicContact OD2-NH1 3.32Å; D6-R62 PolarHBondContact OD2-NH1 3.23Å
7Y29.4Very low33.8Very low57 Ų5789.2 Ų89.222%0.22446%0.463CS..SBendtrans125.3-113.8-154.7-77.1-83.5000113.3D9 V10 S52 R54 A55 A56 K57 R62Y7-D9 PolarHBondContact O-N 3.4Å; Y7-V10 VanDerWaalsContact O-CG2 3.29Å; Y7-V10 WeakPolarHBondContact O-CG2 3.2Å; Y7-V10 PolarHBondContact O-N 3.38Å; Y7-S52 CarbonylContact C-O 3.43Å; Y7-S52 WeakPolarHBondContact CA-O 3.36Å; Y7-S52 WeakPolarHBondContact CB-O 3.38Å; Y7-S52 WeakPolarHBondContact CD1-O 3.07Å; Y7-R54 WeakPolarHBondContact CD2-O 3.33Å; Y7-R54 WeakPolarHBondContact CE2-O 3.34Å; Y7-A55 VanDerWaalsContact CB-N 3.26Å; Y7-A55 HydrophobicContact CD1-CB 2.94Å; Y7-A55 HydrophobicContact CD2-CB 3.92Å; Y7-A55 HydrophobicContact CE1-CB 2.54Å; Y7-A55 HydrophobicContact CE2-CB 3.61Å; Y7-A55 WeakPolarHBondContact CE2-O 3.28Å; Y7-A55 VanDerWaalsContact CG-C 3.48Å; Y7-A55 HydrophobicContact CG-CB 3.65Å; Y7-A55 WeakPolarHBondContact OH-CA 3.39Å; Y7-A55 PolarHBondContact OH-N 2.95Å; Y7-A56 HydrophobicContact CD1-CB 4.27Å; Y7-A56 HydrophobicContact CD2-CB 3.8Å; Y7-A56 HydrophobicContact CG-CB 3.37Å; Y7-A56 VanDerWaalsContact N-CB 3.35Å; Y7-K57 HydrophobicContact CD2-CB 3.81Å; Y7-R62 PolarHBondContact O-NH2 3.16Å
8M30.6Very low34.4Very low97 Ų9784.3 Ų84.348%0.47844%0.437SS..G310 helixtrans-52.9-15.8-169-68.8-178.7-179.500115.6V10 V11 S52 R53M8-V10 PolarHBondContact O-N 3.14Å; M8-V11 HydrophobicContact CB-CG2 4.06Å; M8-V11 WeakPolarHBondContact O-CB 3.24Å; M8-V11 WeakPolarHBondContact O-CG2 3.49Å; M8-V11 PolarHBondContact O-N 3.4Å; M8-S52 VanDerWaalsContact CA-O 3.3Å; M8-S52 WeakPolarHBondContact CA-O 3.28Å; M8-S52 PolarHBondContact N-O 3.3Å; M8-R53 HydrophobicContact CB-CB 4.4Å; M8-R53 HydrophobicContact CB-CG 4.26Å; M8-R53 HydrophobicContact CE-CB 4.01Å; M8-R53 HydrophobicContact CG-CB 3.43Å; M8-R53 VanDerWaalsContact CG-CB 3.43Å; M8-R53 VanDerWaalsContact CG-CD 3.48Å; M8-R53 HydrophobicContact CG-CG 3.65Å; M8-R53 HydrophobicContact SD-CB 4.41Å; M8-R53 PolarHBondContact SD-NH1 2.76Å; M8-R53 VanDerWaalsContact SD-NH1 3.39Å
9D34.7Very low35Very low94 Ų9482.2 Ų82.250%0.50343%0.425SS..G310 helixtrans-78.17.4-171.2-44.6-74.8000111.1Y7 R53Y7-D9 PolarHBondContact O-N 3.4Å; D9-R53 IonicContact OD1-CZ 3.39Å; D9-R53 IonicContact OD1-NH2 3.22Å; D9-R53 PolarHBondContact OD1-NH2 3.03Å; D9-R53 IonicContact OD2-CZ 2.6Å; D9-R53 IonicContact OD2-NE 2.91Å; D9-R53 IonicContact OD2-NH2 3.55Å; D9-R53 PolarHBondContact OD2-NH2 2.94Å
10V30Very low35.4Very low17 Ų1780.7 Ų80.710%0.10342%0.422CS..G310 helixtrans-88.6-14.9159.7-1310000113.6Y7 M8 Q12 P13 I14 L51 A56Y7-V10 VanDerWaalsContact O-CG2 3.29Å; Y7-V10 WeakPolarHBondContact O-CG2 3.2Å; Y7-V10 PolarHBondContact O-N 3.38Å; M8-V10 PolarHBondContact O-N 3.14Å; V10-Q12 PolarHBondContact O-N 2.93Å; V10-P13 WeakPolarHBondContact O-CD 3.27Å; V10-I14 HydrophobicContact CG1-CD1 3.85Å; V10-I14 HydrophobicContact CG1-CG1 4.4Å; V10-L51 HydrophobicContact CB-CB 3.92Å; V10-L51 HydrophobicContact CB-CD2 3.76Å; V10-L51 HydrophobicContact CB-CG 4.42Å; V10-L51 HydrophobicContact CG1-CD2 3.8Å; V10-L51 WeakPolarHBondContact O-CD1 3.32Å; V10-A56 HydrophobicContact CG2-CB 4.25Å
11V33Very low35.8Very low40 Ų4080 Ų8024%0.24242%0.418CS..THydrogen-bonded Turntrans-60.5-13.9-163170.90000115.6M8 S15 K48 L51M8-V11 HydrophobicContact CB-CG2 4.06Å; M8-V11 WeakPolarHBondContact O-CB 3.24Å; M8-V11 WeakPolarHBondContact O-CG2 3.49Å; M8-V11 PolarHBondContact O-N 3.4Å; V11-S15 WeakPolarHBondContact O-CB 3.46Å; V11-K48 HydrophobicContact CG1-CD 4.4Å; V11-K48 HydrophobicContact CG1-CG 4.01Å; V11-L51 HydrophobicContact CB-CB 4.34Å; V11-L51 HydrophobicContact CG2-CB 3.87Å; V11-L51 WeakPolarHBondContact CG2-O 3.28Å
12Q32Very low36.5Very low146 Ų14668.5 Ų68.568%0.68236%0.361SS*.THydrogen-bonded Turntrans-121.9-40.6-173.9-145.9172.95.400115.9V10 I14 S15 V16V10-Q12 PolarHBondContact O-N 2.93Å; Q12-I14 VanDerWaalsContact C-N 3.34Å; Q12-I14 PolarHBondContact O-N 2.94Å; Q12-S15 WeakPolarHBondContact CA-OG 3.24Å; Q12-S15 CarbonylContact O-C 3.6Å; Q12-S15 VanDerWaalsContact O-CA 3.26Å; Q12-S15 WeakPolarHBondContact O-CA 3.46Å; Q12-S15 WeakPolarHBondContact O-CB 3.49Å; Q12-S15 PolarHBondContact O-N 3.17Å; Q12-S15 PolarHBondContact O-OG 3.35Å; Q12-V16 PolarHBondContact O-N 3.24Å
13P34.8Very low37.2Very low90 Ų9062.2 Ų62.258%0.58434%0.337SS*.THydrogen-bonded Turntrans-62.7-41.7176.8-25.335.8000112.4V10 S15 V16 F17V10-P13 WeakPolarHBondContact O-CD 3.27Å; P13-S15 PolarHBondContact O-N 3.28Å; P13-V16 WeakPolarHBondContact O-CB 3.42Å; P13-V16 PolarHBondContact O-N 3.48Å; P13-F17 PolarHBondContact O-N 3.26Å; P13-F17 VanDerWaalsContact O-N 3.09Å
14I40.3Very low37.9Very low14 Ų1456.7 Ų56.77%0.07232%0.32CS..Hα-helixtrans-77.9-13.2172.6-62.7179000111.1V10 Q12 V16 F17 Q18 F47 F50 L51V10-I14 HydrophobicContact CG1-CD1 3.85Å; V10-I14 HydrophobicContact CG1-CG1 4.4Å; Q12-I14 VanDerWaalsContact C-N 3.34Å; Q12-I14 PolarHBondContact O-N 2.94Å; I14-V16 PolarHBondContact O-N 3.39Å; I14-F17 HydrophobicContact CB-CB 4.47Å; I14-F17 HydrophobicContact CG2-CB 4.31Å; I14-F17 HydrophobicContact CG2-CD1 4.19Å; I14-F17 PolarHBondContact O-N 2.84Å; I14-Q18 VanDerWaalsContact C-NE2 3.27Å; I14-Q18 VanDerWaalsContact O-CB 3.28Å; I14-Q18 WeakPolarHBondContact O-CB 3.08Å; I14-Q18 VanDerWaalsContact O-CD 3.32Å; I14-Q18 VanDerWaalsContact O-CG 3.26Å; I14-Q18 WeakPolarHBondContact O-CG 3.43Å; I14-Q18 PolarHBondContact O-N 3.37Å; I14-Q18 PolarHBondContact O-NE2 3.48Å; I14-F47 HydrophobicContact CG2-CD1 3.81Å; I14-F47 HydrophobicContact CG2-CE1 3.47Å; I14-F47 VanDerWaalsContact CG2-CE1 3.47Å; I14-F47 HydrophobicContact CG2-CZ 4.48Å; I14-F50 HydrophobicContact CD1-CD1 4.05Å; I14-F50 HydrophobicContact CD1-CE1 4.11Å; I14-F50 HydrophobicContact CG2-CD1 4.19Å; I14-L51 HydrophobicContact CB-CD1 3.83Å; I14-L51 HydrophobicContact CB-CD2 3.42Å; I14-L51 VanDerWaalsContact CB-CD2 3.42Å; I14-L51 HydrophobicContact CB-CG 4.26Å; I14-L51 HydrophobicContact CD1-CD2 3.67Å; I14-L51 HydrophobicContact CG1-CD2 4.01Å; I14-L51 HydrophobicContact CG2-CD1 4.06Å; I14-L51 HydrophobicContact CG2-CD2 3.59Å; I14-L51 HydrophobicContact CG2-CG 4.33Å
15S35.9Very low38.5Very low10 Ų1056.3 Ų56.37%0.0731%0.313CS..Hα-helixtrans-72.2-6.9162.196.90000113.9V11 Q12 P13 Q18 E19 F44V11-S15 WeakPolarHBondContact O-CB 3.46Å; Q12-S15 WeakPolarHBondContact CA-OG 3.24Å; Q12-S15 CarbonylContact O-C 3.6Å; Q12-S15 VanDerWaalsContact O-CA 3.26Å; Q12-S15 WeakPolarHBondContact O-CA 3.46Å; Q12-S15 WeakPolarHBondContact O-CB 3.49Å; Q12-S15 PolarHBondContact O-N 3.17Å; Q12-S15 PolarHBondContact O-OG 3.35Å; P13-S15 PolarHBondContact O-N 3.28Å; S15-Q18 WeakPolarHBondContact O-CB 3.38Å; S15-E19 WeakPolarHBondContact O-CG 3.48Å; S15-F44 WeakPolarHBondContact O-CE1 3.49Å
16V39.8Very low39.1Very low76 Ų7655.6 Ų55.646%0.46130%0.302SS..Hα-helixtrans-102.7-29.9167.8-178.60000111.5Q12 P13 I14 Q18 E19 S20Q12-V16 PolarHBondContact O-N 3.24Å; P13-V16 WeakPolarHBondContact O-CB 3.42Å; P13-V16 PolarHBondContact O-N 3.48Å; I14-V16 PolarHBondContact O-N 3.39Å; V16-Q18 VanDerWaalsContact C-N 3.25Å; V16-Q18 PolarHBondContact O-N 2.93Å; V16-E19 CarbonylContact O-C 3.54Å; V16-E19 WeakPolarHBondContact O-CA 3.22Å; V16-E19 WeakPolarHBondContact O-CB 3.45Å; V16-E19 PolarHBondContact O-N 2.8Å; V16-E19 VanDerWaalsContact O-N 3.13Å; V16-S20 PolarHBondContact O-N 3.22Å; V16-S20 PolarHBondContact O-OG 3.43Å
17F37.3Very low39.9Very low33 Ų3358.8 Ų58.815%0.14532%0.315CS..Hα-helixtrans-63.6-35.6164.9-177.3-131.9000111.5P13 I14 S20 I21 F47 V69 L73P13-F17 PolarHBondContact O-N 3.26Å; P13-F17 VanDerWaalsContact O-N 3.09Å; I14-F17 HydrophobicContact CB-CB 4.47Å; I14-F17 HydrophobicContact CG2-CB 4.31Å; I14-F17 HydrophobicContact CG2-CD1 4.19Å; I14-F17 PolarHBondContact O-N 2.84Å; F17-S20 WeakPolarHBondContact O-CB 3.45Å; F17-S20 PolarHBondContact O-N 2.9Å; F17-I21 HydrophobicContact CE1-CD1 4.09Å; F17-I21 HydrophobicContact CE2-CD1 4.1Å; F17-I21 HydrophobicContact CE2-CG1 4.19Å; F17-I21 HydrophobicContact CZ-CD1 3.75Å; F17-I21 HydrophobicContact CZ-CG1 4.36Å; F17-I21 PolarHBondContact O-N 3.34Å; F17-F47 AromaticContact CD1-CE1 3.85Å; F17-F47 HydrophobicContact CD1-CE1 3.85Å; F17-F47 AromaticContact CD1-CZ 3.57Å; F17-F47 HydrophobicContact CD1-CZ 3.57Å; F17-F47 HydrophobicContact CE1-CE1 4.29Å; F17-F47 AromaticContact CE1-CZ 3.87Å; F17-F47 HydrophobicContact CE1-CZ 3.87Å; F17-F47 HydrophobicContact CG-CZ 4.3Å; F17-V69 HydrophobicContact CB-CG1 4.36Å; F17-V69 HydrophobicContact CD1-CG1 3.76Å; F17-V69 HydrophobicContact CD1-CG2 3.87Å; F17-V69 HydrophobicContact CD2-CG1 3.93Å; F17-V69 HydrophobicContact CE1-CB 4.36Å; F17-V69 HydrophobicContact CE1-CG1 3.96Å; F17-V69 HydrophobicContact CE1-CG2 3.51Å; F17-V69 HydrophobicContact CE2-CG1 4.1Å; F17-V69 HydrophobicContact CG-CG1 3.76Å; F17-V69 HydrophobicContact CZ-CG1 4.11Å; F17-V69 HydrophobicContact CZ-CG2 4.04Å; F17-L73 HydrophobicContact CD2-CD1 3.77Å; F17-L73 HydrophobicContact CE2-CD1 4Å
18Q44.7Very low40.4Very low0 Ų060.7 Ų60.70%033%0.332CS..Hα-helixtrans-46.4-67.7159.1-91154.173.900110.5I14 S15 V16 S20 I21 I22 F44 F47I14-Q18 VanDerWaalsContact C-NE2 3.27Å; I14-Q18 VanDerWaalsContact O-CB 3.28Å; I14-Q18 WeakPolarHBondContact O-CB 3.08Å; I14-Q18 VanDerWaalsContact O-CD 3.32Å; I14-Q18 VanDerWaalsContact O-CG 3.26Å; I14-Q18 WeakPolarHBondContact O-CG 3.43Å; I14-Q18 PolarHBondContact O-N 3.37Å; I14-Q18 PolarHBondContact O-NE2 3.48Å; S15-Q18 WeakPolarHBondContact O-CB 3.38Å; V16-Q18 VanDerWaalsContact C-N 3.25Å; V16-Q18 PolarHBondContact O-N 2.93Å; Q18-S20 PolarHBondContact O-N 3.36Å; Q18-I21 PolarHBondContact O-N 2.82Å; Q18-I21 VanDerWaalsContact O-N 3.09Å; Q18-I22 HydrophobicContact CB-CD1 3.87Å; Q18-I22 HydrophobicContact CG-CD1 4.45Å; Q18-I22 WeakPolarHBondContact O-CB 3.41Å; Q18-I22 WeakPolarHBondContact O-CD1 3.44Å; Q18-I22 WeakPolarHBondContact O-CG1 3.27Å; Q18-I22 PolarHBondContact O-N 3.26Å; Q18-F44 VanDerWaalsContact OE1-C 3.26Å; Q18-F44 PolarHBondContact OE1-O 2.71Å; Q18-F47 HydrophobicContact CB-CD2 4.19Å; Q18-F47 HydrophobicContact CB-CE2 4.41Å; Q18-F47 HydrophobicContact CB-CG 4.42Å; Q18-F47 VanDerWaalsContact CD-C 3.45Å; Q18-F47 VanDerWaalsContact CD-CB 3.44Å; Q18-F47 HydrophobicContact CG-CB 3.34Å; Q18-F47 HydrophobicContact CG-CD1 3.62Å; Q18-F47 HydrophobicContact CG-CD2 3.22Å; Q18-F47 HydrophobicContact CG-CE1 4.13Å; Q18-F47 HydrophobicContact CG-CE2 3.77Å; Q18-F47 HydrophobicContact CG-CG 3.1Å; Q18-F47 HydrophobicContact CG-CZ 4.19Å; Q18-F47 PolarHBondContact NE2-O 2.88Å
19E44.7Very low40.9Very low45 Ų4558.1 Ų58.121%0.2133%0.326CS..Hα-helixtrans-50.8-31.3179.5-72.4-174101.700112.7S15 V16 I22 D23 R40 F44S15-E19 WeakPolarHBondContact O-CG 3.48Å; V16-E19 CarbonylContact O-C 3.54Å; V16-E19 WeakPolarHBondContact O-CA 3.22Å; V16-E19 WeakPolarHBondContact O-CB 3.45Å; V16-E19 PolarHBondContact O-N 2.8Å; V16-E19 VanDerWaalsContact O-N 3.13Å; E19-I22 CarbonylContact O-C 2.81Å; E19-D23 WeakPolarHBondContact O-CA 3.46Å; E19-D23 WeakPolarHBondContact O-CB 3.29Å; E19-D23 PolarHBondContact O-N 2.9Å; E19-R40 IonicContact OE1-CZ 3.64Å; E19-R40 VanDerWaalsContact OE1-CZ 3.22Å; E19-R40 IonicContact OE1-NE 2.65Å; E19-R40 PolarHBondContact OE1-NE 2.87Å; E19-R40 IonicContact OE1-NH2 2.85Å; E19-R40 PolarHBondContact OE1-NH2 3.38Å; E19-F44 VanDerWaalsContact CD-CE2 3.4Å; E19-F44 VanDerWaalsContact CD-CZ 3.42Å; E19-F44 HydrophobicContact CG-CD2 4.09Å; E19-F44 HydrophobicContact CG-CE2 3.29Å; E19-F44 HydrophobicContact CG-CZ 3.55Å
20S42.9Very low41.1Very low52 Ų5256 Ų5636%0.36432%0.319SS..Hα-helixtrans-72.3-47177.6-52.30000113.9V16 F17 Q18 I22 D23 A24V16-S20 PolarHBondContact O-N 3.22Å; V16-S20 PolarHBondContact O-OG 3.43Å; F17-S20 WeakPolarHBondContact O-CB 3.45Å; F17-S20 PolarHBondContact O-N 2.9Å; Q18-S20 PolarHBondContact O-N 3.36Å; S20-I22 VanDerWaalsContact C-N 3.32Å; S20-D23 PolarHBondContact O-N 3.49Å; S20-A24 PolarHBondContact O-N 2.89Å
21I43.2Very low41.7Very low65 Ų6560.5 Ų60.533%0.33335%0.347SS..Hα-helixtrans-69-36174.3-64.8-173.6000110.5F17 Q18 A24 L25 F47F17-I21 HydrophobicContact CE1-CD1 4.09Å; F17-I21 HydrophobicContact CE2-CD1 4.1Å; F17-I21 HydrophobicContact CE2-CG1 4.19Å; F17-I21 HydrophobicContact CZ-CD1 3.75Å; F17-I21 HydrophobicContact CZ-CG1 4.36Å; F17-I21 PolarHBondContact O-N 3.34Å; Q18-I21 PolarHBondContact O-N 2.82Å; Q18-I21 VanDerWaalsContact O-N 3.09Å; I21-A24 PolarHBondContact O-N 3.31Å; I21-L25 HydrophobicContact CG2-CD1 4.21Å; I21-L25 VanDerWaalsContact O-CG 3.32Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 2.94Å; I21-F47 HydrophobicContact CB-CE2 4.28Å; I21-F47 HydrophobicContact CD1-CE2 3.99Å; I21-F47 HydrophobicContact CD1-CZ 3.97Å; I21-F47 HydrophobicContact CG1-CE2 4.47Å
22I49Very low41.7Very low0 Ų064.4 Ų64.40%037%0.37CS..Hα-helixtrans-63.4-42.9173.6-71172.5000110.6Q18 E19 S20 L25 Q26 F38 R40 C43Q18-I22 HydrophobicContact CB-CD1 3.87Å; Q18-I22 HydrophobicContact CG-CD1 4.45Å; Q18-I22 WeakPolarHBondContact O-CB 3.41Å; Q18-I22 WeakPolarHBondContact O-CD1 3.44Å; Q18-I22 WeakPolarHBondContact O-CG1 3.27Å; Q18-I22 PolarHBondContact O-N 3.26Å; E19-I22 CarbonylContact O-C 2.81Å; S20-I22 VanDerWaalsContact C-N 3.32Å; I22-L25 PolarHBondContact O-N 3.45Å; I22-Q26 VanDerWaalsContact O-CB 3.29Å; I22-Q26 WeakPolarHBondContact O-CB 3.41Å; I22-Q26 PolarHBondContact O-N 3.06Å; I22-F38 HydrophobicContact CB-CZ 4.44Å; I22-F38 HydrophobicContact CG2-CE1 3.35Å; I22-F38 HydrophobicContact CG2-CZ 3.6Å; I22-F38 WeakPolarHBondContact O-CZ 3.34Å; I22-R40 HydrophobicContact CG2-CB 4.48Å; I22-R40 HydrophobicContact CG2-CG 3.86Å; I22-C43 HydrophobicContact CD1-CB 3.55Å; I22-C43 HydrophobicContact CG1-CB 3.62Å; I22-C43 VanDerWaalsContact CG1-SG 3.54Å
23D51.9Low42.2Very low61 Ų6161.5 Ų61.533%0.32636%0.362SS..Hα-helixtrans-69.8-33176.6-82.6-41.5000111.1E19 S20 Q26 Q27 R40E19-D23 WeakPolarHBondContact O-CA 3.46Å; E19-D23 WeakPolarHBondContact O-CB 3.29Å; E19-D23 PolarHBondContact O-N 2.9Å; S20-D23 PolarHBondContact O-N 3.49Å; D23-Q26 CarbonylContact O-C 3.58Å; D23-Q26 PolarHBondContact O-N 2.82Å; D23-Q27 VanDerWaalsContact O-CB 3.24Å; D23-Q27 WeakPolarHBondContact O-CB 3.42Å; D23-Q27 PolarHBondContact O-N 3.06Å; D23-R40 IonicContact OD1-CZ 2.73Å; D23-R40 IonicContact OD1-NH1 3.53Å; D23-R40 PolarHBondContact OD1-NH1 3.05Å; D23-R40 IonicContact OD1-NH2 3.6Å; D23-R40 IonicContact OD2-CZ 3.51Å; D23-R40 IonicContact OD2-NH1 3.65Å; D23-R40 PolarHBondContact OD2-NH1 3.47Å; D23-R40 IonicContact OD2-NH2 2.82Å; D23-R40 PolarHBondContact OD2-NH2 2.92Å
24A44.3Very low42.1Very low50 Ų5060 Ų6041%0.41336%0.363SS..Hα-helixtrans-67.3-44.5171.100000112.2S20 I21 Q26 Q27 V28S20-A24 PolarHBondContact O-N 2.89Å; I21-A24 PolarHBondContact O-N 3.31Å; A24-Q26 VanDerWaalsContact C-N 3.29Å; A24-Q26 PolarHBondContact O-N 3.5Å; A24-Q27 PolarHBondContact O-N 3.35Å; A24-Q27 VanDerWaalsContact O-N 3.11Å; A24-V28 PolarHBondContact O-N 3.43Å
25L45.1Very low42.3Very low98 Ų9865.8 Ų65.851%0.51339%0.39SS..Hα-helixtrans-61.3-38172-71.3165.2000111.4I21 I22 A29 F38I21-L25 HydrophobicContact CG2-CD1 4.21Å; I21-L25 VanDerWaalsContact O-CG 3.32Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 2.94Å; I22-L25 PolarHBondContact O-N 3.45Å; L25-A29 WeakPolarHBondContact O-CB 3.49Å; L25-A29 PolarHBondContact O-N 3.14Å; L25-F38 HydrophobicContact CB-CE2 4.22Å; L25-F38 HydrophobicContact CB-CZ 4.47Å
26Q47.6Very low42.8Very low58 Ų5876 Ų7627%0.27143%0.427SS..Hα-helixtrans-67.6-34.5172.2-176.4170-19.100112.3I22 D23 A24 A29 S30 F38I22-Q26 VanDerWaalsContact O-CB 3.29Å; I22-Q26 WeakPolarHBondContact O-CB 3.41Å; I22-Q26 PolarHBondContact O-N 3.06Å; D23-Q26 CarbonylContact O-C 3.58Å; D23-Q26 PolarHBondContact O-N 2.82Å; A24-Q26 VanDerWaalsContact C-N 3.29Å; A24-Q26 PolarHBondContact O-N 3.5Å; Q26-A29 CarbonylContact O-C 3.59Å; Q26-A29 PolarHBondContact O-N 2.81Å; Q26-S30 WeakPolarHBondContact O-CB 3.45Å; Q26-S30 PolarHBondContact O-N 3.27Å; Q26-S30 PolarHBondContact O-OG 3.36Å; Q26-F38 HydrophobicContact CB-CB 4.34Å; Q26-F38 HydrophobicContact CB-CD1 3.76Å; Q26-F38 HydrophobicContact CB-CD2 3.74Å; Q26-F38 HydrophobicContact CB-CE1 3.87Å; Q26-F38 HydrophobicContact CB-CE2 3.86Å; Q26-F38 HydrophobicContact CB-CG 3.68Å; Q26-F38 HydrophobicContact CB-CZ 3.92Å; Q26-F38 HydrophobicContact CG-CB 3.71Å; Q26-F38 HydrophobicContact CG-CD1 3.79Å; Q26-F38 HydrophobicContact CG-CD2 4.08Å; Q26-F38 HydrophobicContact CG-CE1 4.39Å; Q26-F38 HydrophobicContact CG-CG 3.6Å
27Q46.8Very low43.2Very low132 Ų13279.5 Ų79.562%0.61744%0.443SS*.Hα-helixtrans-71.5-39-179.9-165.1167.920.600111.6D23 A24 S30 T31D23-Q27 VanDerWaalsContact O-CB 3.24Å; D23-Q27 WeakPolarHBondContact O-CB 3.42Å; D23-Q27 PolarHBondContact O-N 3.06Å; A24-Q27 PolarHBondContact O-N 3.35Å; A24-Q27 VanDerWaalsContact O-N 3.11Å; Q27-S30 WeakPolarHBondContact CA-OG 3.34Å; Q27-S30 PolarHBondContact O-N 3.02Å; Q27-S30 PolarHBondContact O-OG 2.98Å; Q27-T31 PolarHBondContact O-N 2.93Å; Q27-T31 PolarHBondContact O-OG1 2.81Å
28V39.4Very low43.8Very low96 Ų9681 Ų8158%0.58245%0.45SS*.Hα-helixtrans-64.4-44.1169.3176.30000110.8A24 S30 V32A24-V28 PolarHBondContact O-N 3.43Å; V28-S30 PolarHBondContact O-N 3.37Å; V28-V32 PolarHBondContact O-N 3.13Å
29A41.2Very low44.5Very low43 Ų4386.4 Ų86.436%0.35548%0.478SS..Hα-helixtrans-64.8-23.9176.100000113.9L25 Q26 V33L25-A29 WeakPolarHBondContact O-CB 3.49Å; L25-A29 PolarHBondContact O-N 3.14Å; Q26-A29 CarbonylContact O-C 3.59Å; Q26-A29 PolarHBondContact O-N 2.81Å; A29-V33 WeakPolarHBondContact O-CB 3.14Å; A29-V33 VanDerWaalsContact O-CG2 3.28Å; A29-V33 WeakPolarHBondContact O-CG2 3.25Å
30S40.4Very low45Very low50 Ų5088 Ų8835%0.3548%0.482SS..Hα-helixtrans-89.1-38178.4670000113.3Q26 Q27 V28 G34Q26-S30 WeakPolarHBondContact O-CB 3.45Å; Q26-S30 PolarHBondContact O-N 3.27Å; Q26-S30 PolarHBondContact O-OG 3.36Å; Q27-S30 WeakPolarHBondContact CA-OG 3.34Å; Q27-S30 PolarHBondContact O-N 3.02Å; Q27-S30 PolarHBondContact O-OG 2.98Å; V28-S30 PolarHBondContact O-N 3.37Å; S30-G34 PolarHBondContact O-N 3.32Å
31T40.9Very low45.4Very low112 Ų11288.7 Ų88.769%0.68749%0.492SS*.Hα-helixtrans-77-24.9-177.349.10000114.2Q27Q27-T31 PolarHBondContact O-N 2.93Å; Q27-T31 PolarHBondContact O-OG1 2.81Å
32V33.8Very low45.8Very low121 Ų12191.5 Ų91.573%0.73350%0.503SS*.Hα-helixtrans-81.4-43.2170.9178.50000112V28V28-V32 PolarHBondContact O-N 3.13Å
33V43.2Very low46Very low86 Ų8693.3 Ų93.352%0.52152%0.516SS..Hα-helixtrans-111.2-13.1-158.1-152.50000113.8A29 Q35A29-V33 WeakPolarHBondContact O-CB 3.14Å; A29-V33 VanDerWaalsContact O-CG2 3.28Å; A29-V33 WeakPolarHBondContact O-CG2 3.25Å; V33-Q35 HydrophobicContact CB-CB 4.44Å; V33-Q35 HydrophobicContact CB-CG 4.48Å; V33-Q35 HydrophobicContact CG1-CB 4.46Å; V33-Q35 HydrophobicContact CG1-CG 4Å; V33-Q35 PolarHBondContact O-N 3.39Å
34G32.4Very low45.8Very low59 Ų5993 Ų9361%0.60851%0.511SS*.  trans64.21.5-174.800000115S30S30-G34 PolarHBondContact O-N 3.32Å
35Q44.3Very low46.1Very low134 Ų13499.9 Ų99.963%0.62653%0.526SS*.  trans-80.2156.3-178.8-75.3-161.27.200112.7V33V33-Q35 HydrophobicContact CB-CB 4.44Å; V33-Q35 HydrophobicContact CB-CG 4.48Å; V33-Q35 HydrophobicContact CG1-CB 4.46Å; V33-Q35 HydrophobicContact CG1-CG 4Å; V33-Q35 PolarHBondContact O-N 3.39Å
36R45.8Very low46.3Very low224 Ų22499 Ų9985%0.84553%0.528SS*.  trans-120.63.3-166.5-58.1178.7-179.1179.5-2.4113.7
37N47.8Very low46.4Very low151 Ų15198 Ų9881%0.80752%0.523SS*.  trans-116.263.4-162.6-64.23000112.8
38F50.4Low46.3Very low64 Ų6496.8 Ų96.828%0.28152%0.515SS..  trans-94.8137.1-176.5167.6-82.5000112.8I22 L25 Q26 R40I22-F38 HydrophobicContact CB-CZ 4.44Å; I22-F38 HydrophobicContact CG2-CE1 3.35Å; I22-F38 HydrophobicContact CG2-CZ 3.6Å; I22-F38 WeakPolarHBondContact O-CZ 3.34Å; L25-F38 HydrophobicContact CB-CE2 4.22Å; L25-F38 HydrophobicContact CB-CZ 4.47Å; Q26-F38 HydrophobicContact CB-CB 4.34Å; Q26-F38 HydrophobicContact CB-CD1 3.76Å; Q26-F38 HydrophobicContact CB-CD2 3.74Å; Q26-F38 HydrophobicContact CB-CE1 3.87Å; Q26-F38 HydrophobicContact CB-CE2 3.86Å; Q26-F38 HydrophobicContact CB-CG 3.68Å; Q26-F38 HydrophobicContact CB-CZ 3.92Å; Q26-F38 HydrophobicContact CG-CB 3.71Å; Q26-F38 HydrophobicContact CG-CD1 3.79Å; Q26-F38 HydrophobicContact CG-CD2 4.08Å; Q26-F38 HydrophobicContact CG-CE1 4.39Å; Q26-F38 HydrophobicContact CG-CG 3.6Å; F38-R40 HydrophobicContact CD1-CB 4.43Å; F38-R40 HydrophobicContact CE1-CB 4.3Å; F38-R40 PolarHBondContact O-N 3.48Å; F38-R40 VanDerWaalsContact O-N 3.13Å
39N59.7Low46.7Very low113 Ų11397.4 Ų97.460%0.60452%0.519SS*.  trans-88.777.9-174.6-169.4-10.1000113.5A41N39-A41 PolarHBondContact O-N 3.12Å; N39-A41 VanDerWaalsContact O-N 3.14Å; N39-A41 PolarHBondContact OD1-N 3.32Å
40R54.3Low47.1Very low78 Ų7899.3 Ų99.329%0.29452%0.519SS..Hα-helixtrans-49.9-34.6175.1-154.8-178.6-170.180.72.1113.8E19 I22 D23 F38 F44E19-R40 IonicContact OE1-CZ 3.64Å; E19-R40 VanDerWaalsContact OE1-CZ 3.22Å; E19-R40 IonicContact OE1-NE 2.65Å; E19-R40 PolarHBondContact OE1-NE 2.87Å; E19-R40 IonicContact OE1-NH2 2.85Å; E19-R40 PolarHBondContact OE1-NH2 3.38Å; I22-R40 HydrophobicContact CG2-CB 4.48Å; I22-R40 HydrophobicContact CG2-CG 3.86Å; D23-R40 IonicContact OD1-CZ 2.73Å; D23-R40 IonicContact OD1-NH1 3.53Å; D23-R40 PolarHBondContact OD1-NH1 3.05Å; D23-R40 IonicContact OD1-NH2 3.6Å; D23-R40 IonicContact OD2-CZ 3.51Å; D23-R40 IonicContact OD2-NH1 3.65Å; D23-R40 PolarHBondContact OD2-NH1 3.47Å; D23-R40 IonicContact OD2-NH2 2.82Å; D23-R40 PolarHBondContact OD2-NH2 2.92Å; F38-R40 HydrophobicContact CD1-CB 4.43Å; F38-R40 HydrophobicContact CE1-CB 4.3Å; F38-R40 PolarHBondContact O-N 3.48Å; F38-R40 VanDerWaalsContact O-N 3.13Å; R40-F44 HydrophobicContact CG-CD2 4.25Å; R40-F44 HydrophobicContact CG-CE2 4.4Å; R40-F44 PolarHBondContact O-N 3.32Å
41A53.2Low47.3Very low67 Ų6797 Ų9755%0.55450%0.503SS*.Hα-helixtrans-77.4-28.9-165.700000115.4N39 F44N39-A41 PolarHBondContact O-N 3.12Å; N39-A41 VanDerWaalsContact O-N 3.14Å; N39-A41 PolarHBondContact OD1-N 3.32Å; A41-F44 WeakPolarHBondContact O-CB 3.47Å
42H51.3Low47.4Very low124 Ų12493.7 Ų93.757%0.57449%0.485SS*.Hα-helixtrans-70.2-48.6178.7175.688.7000111.5F44 R45H42-F44 VanDerWaalsContact C-N 3.28Å; H42-F44 PolarHBondContact O-N 2.97Å; H42-R45 WeakPolarHBondContact O-CB 3.39Å; H42-R45 PolarHBondContact O-N 3.41Å
43C52.9Low47.6Very low39 Ų3993.5 Ų93.526%0.26447%0.471SS..Hα-helixtrans-70.6-28.3-175.2-162.70000111.8I22 R45I22-C43 HydrophobicContact CD1-CB 3.55Å; I22-C43 HydrophobicContact CG1-CB 3.62Å; I22-C43 VanDerWaalsContact CG1-SG 3.54Å; C43-R45 PolarHBondContact O-N 2.82Å
44F47Very low47.8Very low54 Ų54100.3 Ų100.324%0.23749%0.487CS..Hα-helixtrans-54.7-9.4163.2-122.9-67.5000115.2S15 Q18 E19 R40 A41 H42 K48S15-F44 WeakPolarHBondContact O-CE1 3.49Å; Q18-F44 VanDerWaalsContact OE1-C 3.26Å; Q18-F44 PolarHBondContact OE1-O 2.71Å; E19-F44 VanDerWaalsContact CD-CE2 3.4Å; E19-F44 VanDerWaalsContact CD-CZ 3.42Å; E19-F44 HydrophobicContact CG-CD2 4.09Å; E19-F44 HydrophobicContact CG-CE2 3.29Å; E19-F44 HydrophobicContact CG-CZ 3.55Å; R40-F44 HydrophobicContact CG-CD2 4.25Å; R40-F44 HydrophobicContact CG-CE2 4.4Å; R40-F44 PolarHBondContact O-N 3.32Å; A41-F44 WeakPolarHBondContact O-CB 3.47Å; H42-F44 VanDerWaalsContact C-N 3.28Å; H42-F44 PolarHBondContact O-N 2.97Å; F44-K48 WeakPolarHBondContact O-CB 3.32Å
45R51.7Low48.5Very low194 Ų19498 Ų9873%0.73246%0.463SS*.Hα-helixtrans-105.8-48.7-170.9-148.7179.7-164.4179.35.4112.4H42 C43 F47 K48H42-R45 WeakPolarHBondContact O-CB 3.39Å; H42-R45 PolarHBondContact O-N 3.41Å; C43-R45 PolarHBondContact O-N 2.82Å; R45-F47 VanDerWaalsContact C-N 3.27Å; R45-F47 PolarHBondContact O-N 2.84Å; R45-K48 WeakPolarHBondContact O-CB 3.28Å; R45-K48 PolarHBondContact O-N 3.44Å
46C47.7Very low48.3Very low80 Ų8091.7 Ų91.754%0.54143%0.433SS..Hα-helixtrans-59.7-42.1178.5-550000111.5V49C46-V49 WeakPolarHBondContact O-CB 3.28Å; C46-V49 WeakPolarHBondContact O-CG2 3.45Å; C46-V49 PolarHBondContact O-N 2.85Å
47F50.5Low48.1Very low37 Ų3786.3 Ų86.316%0.16242%0.416CS..G310 helixtrans-88.6-15.8-168.7-166.3-15.5000109.7I14 F17 Q18 I21 R45 V49 F50I14-F47 HydrophobicContact CG2-CD1 3.81Å; I14-F47 HydrophobicContact CG2-CE1 3.47Å; I14-F47 VanDerWaalsContact CG2-CE1 3.47Å; I14-F47 HydrophobicContact CG2-CZ 4.48Å; F17-F47 AromaticContact CD1-CE1 3.85Å; F17-F47 HydrophobicContact CD1-CE1 3.85Å; F17-F47 AromaticContact CD1-CZ 3.57Å; F17-F47 HydrophobicContact CD1-CZ 3.57Å; F17-F47 HydrophobicContact CE1-CE1 4.29Å; F17-F47 AromaticContact CE1-CZ 3.87Å; F17-F47 HydrophobicContact CE1-CZ 3.87Å; F17-F47 HydrophobicContact CG-CZ 4.3Å; Q18-F47 HydrophobicContact CB-CD2 4.19Å; Q18-F47 HydrophobicContact CB-CE2 4.41Å; Q18-F47 HydrophobicContact CB-CG 4.42Å; Q18-F47 VanDerWaalsContact CD-C 3.45Å; Q18-F47 VanDerWaalsContact CD-CB 3.44Å; Q18-F47 HydrophobicContact CG-CB 3.34Å; Q18-F47 HydrophobicContact CG-CD1 3.62Å; Q18-F47 HydrophobicContact CG-CD2 3.22Å; Q18-F47 HydrophobicContact CG-CE1 4.13Å; Q18-F47 HydrophobicContact CG-CE2 3.77Å; Q18-F47 HydrophobicContact CG-CG 3.1Å; Q18-F47 HydrophobicContact CG-CZ 4.19Å; Q18-F47 PolarHBondContact NE2-O 2.88Å; I21-F47 HydrophobicContact CB-CE2 4.28Å; I21-F47 HydrophobicContact CD1-CE2 3.99Å; I21-F47 HydrophobicContact CD1-CZ 3.97Å; I21-F47 HydrophobicContact CG1-CE2 4.47Å; R45-F47 VanDerWaalsContact C-N 3.27Å; R45-F47 PolarHBondContact O-N 2.84Å; F47-V49 PolarHBondContact O-N 3.4Å; F47-F50 HydrophobicContact CD1-CB 4.48Å; F47-F50 WeakPolarHBondContact O-CB 3.5Å; F47-F50 PolarHBondContact O-N 2.89Å
48K45Very low48.2Very low107 Ų10781.1 Ų81.147%0.46539%0.394SS..G310 helixtrans-66.2-16.6162.4-164.2172.8-173.3170.10113.5V11 F44 R45 L51V11-K48 HydrophobicContact CG1-CD 4.4Å; V11-K48 HydrophobicContact CG1-CG 4.01Å; F44-K48 WeakPolarHBondContact O-CB 3.32Å; R45-K48 WeakPolarHBondContact O-CB 3.28Å; R45-K48 PolarHBondContact O-N 3.44Å; K48-L51 WeakPolarHBondContact O-CB 3.28Å
49V47.8Very low47.5Very low108 Ų10881.2 Ų81.266%0.65541%0.407SS*.G310 helixtrans-75.5-29174.6-175.50000112.2C46 F47 L51C46-V49 WeakPolarHBondContact O-CB 3.28Å; C46-V49 WeakPolarHBondContact O-CG2 3.45Å; C46-V49 PolarHBondContact O-N 2.85Å; F47-V49 PolarHBondContact O-N 3.4Å; V49-L51 PolarHBondContact O-N 2.87Å
50F48.9Very low46.7Very low84 Ų8481.9 Ų81.937%0.36841%0.41SS..G310 helixtrans-54.7-5.8174.2-157.1-100.1000113.2I14 F47 Y65I14-F50 HydrophobicContact CD1-CD1 4.05Å; I14-F50 HydrophobicContact CD1-CE1 4.11Å; I14-F50 HydrophobicContact CG2-CD1 4.19Å; F47-F50 HydrophobicContact CD1-CB 4.48Å; F47-F50 WeakPolarHBondContact O-CB 3.5Å; F47-F50 PolarHBondContact O-N 2.89Å; F50-Y65 AromaticContact CE1-CD1 3.99Å; F50-Y65 HydrophobicContact CE1-CD1 3.99Å; F50-Y65 HydrophobicContact CE1-CG 4.08Å; F50-Y65 HydrophobicContact CE2-CD1 4.18Å; F50-Y65 AromaticContact CE2-CE1 3.93Å; F50-Y65 HydrophobicContact CE2-CE1 3.93Å; F50-Y65 AromaticContact CZ-CD1 3.38Å; F50-Y65 HydrophobicContact CZ-CD1 3.38Å; F50-Y65 AromaticContact CZ-CE1 3.6Å; F50-Y65 HydrophobicContact CZ-CE1 3.6Å; F50-Y65 AromaticContact CZ-CG 3.91Å; F50-Y65 HydrophobicContact CZ-CG 3.91Å
51L44.1Very low46.4Very low0 Ų083.5 Ų83.50%042%0.421CS..G310 helixtrans-134.3-1.2-154.4-46.7179.9000116.2V10 V11 I14 K48 V49V10-L51 HydrophobicContact CB-CB 3.92Å; V10-L51 HydrophobicContact CB-CD2 3.76Å; V10-L51 HydrophobicContact CB-CG 4.42Å; V10-L51 HydrophobicContact CG1-CD2 3.8Å; V10-L51 WeakPolarHBondContact O-CD1 3.32Å; V11-L51 HydrophobicContact CB-CB 4.34Å; V11-L51 HydrophobicContact CG2-CB 3.87Å; V11-L51 WeakPolarHBondContact CG2-O 3.28Å; I14-L51 HydrophobicContact CB-CD1 3.83Å; I14-L51 HydrophobicContact CB-CD2 3.42Å; I14-L51 VanDerWaalsContact CB-CD2 3.42Å; I14-L51 HydrophobicContact CB-CG 4.26Å; I14-L51 HydrophobicContact CD1-CD2 3.67Å; I14-L51 HydrophobicContact CG1-CD2 4.01Å; I14-L51 HydrophobicContact CG2-CD1 4.06Å; I14-L51 HydrophobicContact CG2-CD2 3.59Å; I14-L51 HydrophobicContact CG2-CG 4.33Å; K48-L51 WeakPolarHBondContact O-CB 3.28Å; V49-L51 PolarHBondContact O-N 2.87Å
52S43.2Very low45.7Very low44 Ų4482.8 Ų82.831%0.30840%0.404SS..  trans-54-170.8-162.574.70000118.6Y7 M8 R54Y7-S52 CarbonylContact C-O 3.43Å; Y7-S52 WeakPolarHBondContact CA-O 3.36Å; Y7-S52 WeakPolarHBondContact CB-O 3.38Å; Y7-S52 WeakPolarHBondContact CD1-O 3.07Å; M8-S52 VanDerWaalsContact CA-O 3.3Å; M8-S52 WeakPolarHBondContact CA-O 3.28Å; M8-S52 PolarHBondContact N-O 3.3Å; S52-R54 PolarHBondContact OG-N 3.47Å
53R39.1Very low45.3Very low116 Ų11684 Ų8444%0.43841%0.408SS..SBendtrans-88.718.6166.2-138.1149.4-127.9157.70.3115.3M8 D9M8-R53 HydrophobicContact CB-CB 4.4Å; M8-R53 HydrophobicContact CB-CG 4.26Å; M8-R53 HydrophobicContact CE-CB 4.01Å; M8-R53 HydrophobicContact CG-CB 3.43Å; M8-R53 VanDerWaalsContact CG-CB 3.43Å; M8-R53 VanDerWaalsContact CG-CD 3.48Å; M8-R53 HydrophobicContact CG-CG 3.65Å; M8-R53 HydrophobicContact SD-CB 4.41Å; M8-R53 PolarHBondContact SD-NH1 2.76Å; M8-R53 VanDerWaalsContact SD-NH1 3.39Å; D9-R53 IonicContact OD1-CZ 3.39Å; D9-R53 IonicContact OD1-NH2 3.22Å; D9-R53 PolarHBondContact OD1-NH2 3.03Å; D9-R53 IonicContact OD2-CZ 2.6Å; D9-R53 IonicContact OD2-NE 2.91Å; D9-R53 IonicContact OD2-NH2 3.55Å; D9-R53 PolarHBondContact OD2-NH2 2.94Å
54R46.3Very low45Very low229 Ų22986.4 Ų86.486%0.86442%0.418SS*.SBendtrans-114.3-21.8175.2-70.8-178.6177.1162.5-1.5117.1Y7 S52Y7-R54 WeakPolarHBondContact CD2-O 3.33Å; Y7-R54 WeakPolarHBondContact CE2-O 3.34Å; S52-R54 PolarHBondContact OG-N 3.47Å
55A48.3Very low45Very low12 Ų1289.8 Ų89.810%0.09943%0.43CS..SBendtrans19.1-117147.400000128.6Y7 Q61Y7-A55 VanDerWaalsContact CB-N 3.26Å; Y7-A55 HydrophobicContact CD1-CB 2.94Å; Y7-A55 HydrophobicContact CD2-CB 3.92Å; Y7-A55 HydrophobicContact CE1-CB 2.54Å; Y7-A55 HydrophobicContact CE2-CB 3.61Å; Y7-A55 WeakPolarHBondContact CE2-O 3.28Å; Y7-A55 VanDerWaalsContact CG-C 3.48Å; Y7-A55 HydrophobicContact CG-CB 3.65Å; Y7-A55 WeakPolarHBondContact OH-CA 3.39Å; Y7-A55 PolarHBondContact OH-N 2.95Å; A55-Q61 WeakPolarHBondContact O-CB 3.43Å; A55-Q61 PolarHBondContact O-OE1 2.88Å
56A39.9Very low44.3Very low1 Ų183 Ų831%0.00841%0.41CS..SBendcis92.3-76.427.900000115.2D6 Y7 V10 A58 A59 R62D6-A56 HydrophobicContact CB-CB 4.18Å; Y7-A56 HydrophobicContact CD1-CB 4.27Å; Y7-A56 HydrophobicContact CD2-CB 3.8Å; Y7-A56 HydrophobicContact CG-CB 3.37Å; Y7-A56 VanDerWaalsContact N-CB 3.35Å; V10-A56 HydrophobicContact CG2-CB 4.25Å; A56-A58 CarbonylContact C-O 3.17Å; A56-A58 PolarHBondContact N-O 3.16Å; A56-A58 CarbonylContact O-C 3.25Å; A56-A58 PolarHBondContact O-N 3.41Å; A56-A58 VanDerWaalsContact O-N 3.09Å; A56-A59 PolarHBondContact O-N 3.44Å; A56-R62 HydrophobicContact CB-CB 4.44Å; A56-R62 HydrophobicContact CB-CG 3.76Å
57K41.9Very low44.1Very low111 Ų11182 Ų8248%0.48340%0.401SS..SBendtrans-55.6-23172.6-156.8-179.6-65.4-152.90113S5 D6 Y7S5-K57 VanDerWaalsContact N-CE 3.32Å; D6-K57 HydrophobicContact CB-CB 4.45Å; D6-K57 VanDerWaalsContact O-CE 3.29Å; D6-K57 WeakPolarHBondContact O-CE 3.43Å; Y7-K57 HydrophobicContact CD2-CB 3.81Å
58A48.7Very low43.9Very low41 Ų4182.9 Ų82.934%0.33941%0.406SS..SBendtrans-93.9105.8151.800000109.1A56 N60 Q61 R62A56-A58 CarbonylContact C-O 3.17Å; A56-A58 PolarHBondContact N-O 3.16Å; A56-A58 CarbonylContact O-C 3.25Å; A56-A58 PolarHBondContact O-N 3.41Å; A56-A58 VanDerWaalsContact O-N 3.09Å; A58-N60 PolarHBondContact O-N 2.97Å; A58-N60 VanDerWaalsContact O-N 3.13Å; A58-Q61 HydrophobicContact CB-CB 4.15Å; A58-Q61 HydrophobicContact CB-CG 3.95Å; A58-Q61 PolarHBondContact O-N 2.96Å; A58-R62 PolarHBondContact O-N 2.77Å
59A36.6Very low43.9Very low67 Ų6779 Ų7955%0.55439%0.391SS*.Hα-helixtrans-61.4-24.8-17400000113.8A56A56-A59 PolarHBondContact O-N 3.44Å
60N43.3Very low43.5Very low127 Ų12780.1 Ų80.168%0.67939%0.389SS*.Hα-helixtrans-71.6-38.2172.9-70.4-1.3000112.4A58 R62 K63A58-N60 PolarHBondContact O-N 2.97Å; A58-N60 VanDerWaalsContact O-N 3.13Å; N60-R62 VanDerWaalsContact C-N 3.28Å; N60-R62 PolarHBondContact O-N 3.36Å; N60-K63 WeakPolarHBondContact O-CB 3.24Å; N60-K63 PolarHBondContact O-N 2.99Å; N60-K63 VanDerWaalsContact O-N 3.11Å
61Q46.9Very low43.2Very low111 Ų11181.3 Ų81.352%0.51940%0.396SS..Hα-helixtrans-68.5-27-178.9-71.2-180-26.900112.6A55 A58A55-Q61 WeakPolarHBondContact O-CB 3.43Å; A55-Q61 PolarHBondContact O-OE1 2.88Å; A58-Q61 HydrophobicContact CB-CB 4.15Å; A58-Q61 HydrophobicContact CB-CG 3.95Å; A58-Q61 PolarHBondContact O-N 2.96Å
62R38.1Very low42.9Very low53 Ų5382.3 Ų82.320%0.240%0.401CS..Hα-helixtrans-72.1-29172.6-133.4-173.4-159.11557112.7D6 Y7 A56 A58 N60 T66D6-R62 IonicContact OD1-CZ 2.75Å; D6-R62 IonicContact OD1-NH1 2.66Å; D6-R62 PolarHBondContact OD1-NH1 3.41Å; D6-R62 IonicContact OD1-NH2 3.14Å; D6-R62 IonicContact OD2-NH1 3.32Å; D6-R62 PolarHBondContact OD2-NH1 3.23Å; Y7-R62 PolarHBondContact O-NH2 3.16Å; A56-R62 HydrophobicContact CB-CB 4.44Å; A56-R62 HydrophobicContact CB-CG 3.76Å; A58-R62 PolarHBondContact O-N 2.77Å; N60-R62 VanDerWaalsContact C-N 3.28Å; N60-R62 PolarHBondContact O-N 3.36Å; R62-T66 WeakPolarHBondContact O-CB 3.46Å; R62-T66 PolarHBondContact O-N 2.72Å; R62-T66 PolarHBondContact O-OG1 3.34Å
63K42.5Very low42.5Very low149 Ų14984 Ų8465%0.64841%0.407SS*.Hα-helixtrans-68.6-33-173.9-89.8-175.1169.2-1750113.2N60 V67N60-K63 WeakPolarHBondContact O-CB 3.24Å; N60-K63 PolarHBondContact O-N 2.99Å; N60-K63 VanDerWaalsContact O-N 3.11Å; K63-V67 VanDerWaalsContact O-CG2 3.31Å; K63-V67 WeakPolarHBondContact O-CG2 3.29Å; K63-V67 PolarHBondContact O-N 3.4Å
64N47.1Very low42.5Very low90 Ų9081.9 Ų81.948%0.48141%0.413SS..Hα-helixtrans-66.2-67.2179.2-63.726.7000110.6T66 V67 E68N64-T66 PolarHBondContact O-N 3.37Å; N64-V67 PolarHBondContact O-N 3.38Å; N64-E68 PolarHBondContact O-N 3.27Å
65Y46.9Very low42.2Very low125 Ų12578.7 Ų78.749%0.4941%0.406SS..Hα-helixtrans-59.5-23.9-177.1-72.7-62.2000115.3F50 E68 V69F50-Y65 AromaticContact CE1-CD1 3.99Å; F50-Y65 HydrophobicContact CE1-CD1 3.99Å; F50-Y65 HydrophobicContact CE1-CG 4.08Å; F50-Y65 HydrophobicContact CE2-CD1 4.18Å; F50-Y65 AromaticContact CE2-CE1 3.93Å; F50-Y65 HydrophobicContact CE2-CE1 3.93Å; F50-Y65 AromaticContact CZ-CD1 3.38Å; F50-Y65 HydrophobicContact CZ-CD1 3.38Å; F50-Y65 AromaticContact CZ-CE1 3.6Å; F50-Y65 HydrophobicContact CZ-CE1 3.6Å; F50-Y65 AromaticContact CZ-CG 3.91Å; F50-Y65 HydrophobicContact CZ-CG 3.91Å; Y65-E68 WeakPolarHBondContact CA-OE2 3.03Å; Y65-E68 WeakPolarHBondContact CD1-OE2 3.4Å; Y65-V69 WeakPolarHBondContact O-CG2 3.37Å
66T38Very low41.7Very low52 Ų5287.1 Ų87.132%0.31944%0.435SS..Hα-helixtrans-78.3-30.5178.1-49.80000112.1R62 N64 Q70R62-T66 WeakPolarHBondContact O-CB 3.46Å; R62-T66 PolarHBondContact O-N 2.72Å; R62-T66 PolarHBondContact O-OG1 3.34Å; N64-T66 PolarHBondContact O-N 3.37Å; T66-Q70 WeakPolarHBondContact O-CB 3.16Å; T66-Q70 VanDerWaalsContact O-CG 3.24Å; T66-Q70 WeakPolarHBondContact O-CG 3.43Å; T66-Q70 PolarHBondContact O-N 3.35Å
67V44Very low41.3Very low58 Ų5891.7 Ų91.735%0.35247%0.467SS..Hα-helixtrans-70.7-42.7176.3168.60000110.9K63 N64 V69 Q70 Q71 L95K63-V67 VanDerWaalsContact O-CG2 3.31Å; K63-V67 WeakPolarHBondContact O-CG2 3.29Å; K63-V67 PolarHBondContact O-N 3.4Å; N64-V67 PolarHBondContact O-N 3.38Å; V67-V69 PolarHBondContact O-N 3.43Å; V67-Q70 PolarHBondContact O-N 3.26Å; V67-Q71 PolarHBondContact O-N 3.33Å; V67-L95 HydrophobicContact CG1-CD2 4.16Å
68E45.6Very low40.8Very low55 Ų5594 Ų9426%0.25748%0.484SS..Hα-helixtrans-60-44.7-179.2-64.3171.2143.500112.3N64 Y65 Q70N64-E68 PolarHBondContact O-N 3.27Å; Y65-E68 WeakPolarHBondContact CA-OE2 3.03Å; Y65-E68 WeakPolarHBondContact CD1-OE2 3.4Å; E68-Q70 VanDerWaalsContact C-N 3.35Å
69V44.2Very low39.9Very low25 Ų2599.7 Ų99.715%0.15250%0.503CS..Hα-helixtrans-75.3-23.2-179.4179.20000112.6F17 Y65 V67 L73F17-V69 HydrophobicContact CB-CG1 4.36Å; F17-V69 HydrophobicContact CD1-CG1 3.76Å; F17-V69 HydrophobicContact CD1-CG2 3.87Å; F17-V69 HydrophobicContact CD2-CG1 3.93Å; F17-V69 HydrophobicContact CE1-CB 4.36Å; F17-V69 HydrophobicContact CE1-CG1 3.96Å; F17-V69 HydrophobicContact CE1-CG2 3.51Å; F17-V69 HydrophobicContact CE2-CG1 4.1Å; F17-V69 HydrophobicContact CG-CG1 3.76Å; F17-V69 HydrophobicContact CZ-CG1 4.11Å; F17-V69 HydrophobicContact CZ-CG2 4.04Å; Y65-V69 WeakPolarHBondContact O-CG2 3.37Å; V67-V69 PolarHBondContact O-N 3.43Å; V69-L73 HydrophobicContact CG1-CD1 4.31Å
70Q40.7Very low39.7Very low133 Ų133102.3 Ų102.362%0.62151%0.508SS*.Hα-helixtrans-87.8-21.4-176.2-77.4-175.9-23.800114.7T66 V67 E68 A74T66-Q70 WeakPolarHBondContact O-CB 3.16Å; T66-Q70 VanDerWaalsContact O-CG 3.24Å; T66-Q70 WeakPolarHBondContact O-CG 3.43Å; T66-Q70 PolarHBondContact O-N 3.35Å; V67-Q70 PolarHBondContact O-N 3.26Å; E68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-A74 WeakPolarHBondContact O-CB 3.43Å
71Q42Very low39.3Very low108 Ų108102.6 Ų102.651%0.50551%0.51SS..Hα-helixtrans-76.5-25175-71.3-172-7.800113.5V67V67-Q71 PolarHBondContact O-N 3.33Å
72L37.2Very low38.8Very low21 Ų21104.6 Ų104.611%0.1152%0.524CS..SBendtrans-93.32.1-166.9-70.9176.2000115.8L113 L116 L117L72-L113 HydrophobicContact CD1-CD2 3.87Å; L72-L116 HydrophobicContact CD1-CB 3.88Å; L72-L116 HydrophobicContact CD1-CD1 3.97Å; L72-L116 HydrophobicContact CD2-CB 3.58Å; L72-L116 HydrophobicContact CG-CB 4.27Å; L72-L117 HydrophobicContact CD2-CB 4.29Å; L72-L117 HydrophobicContact CD2-CD2 3.85Å; L72-L117 HydrophobicContact CD2-CG 3.67Å
73L35.8Very low38.9Very low81 Ų81108.2 Ų108.242%0.42455%0.546SS..SBendtrans-141.914.6-169.2-63.6172.2000112.6F17 V69 K75F17-L73 HydrophobicContact CD2-CD1 3.77Å; F17-L73 HydrophobicContact CE2-CD1 4Å; V69-L73 HydrophobicContact CG1-CD1 4.31Å; L73-K75 WeakPolarHBondContact O-CG 3.38Å
74A39.5Very low39Very low70 Ų70110 Ų11058%0.57955%0.549SS*.  trans-99.418.7-158.600000115.5Q70 E120Q70-A74 WeakPolarHBondContact O-CB 3.43Å; A74-E120 PolarHBondContact N-OE1 3.11Å
75K40.1Very low38.7Very low163 Ų163114.7 Ų114.771%0.70957%0.565SS**  trans53.483144.1-72.7169.8179.7176.40117.2L73 S77 E120L73-K75 WeakPolarHBondContact O-CG 3.38Å; K75-S77 VanDerWaalsContact C-N 3.26Å; K75-S77 PolarHBondContact O-N 3.38Å; K75-E120 PolarHBondContact N-OE1 3.44Å
76R37.2Very low38.4Very low188 Ų188115.9 Ų115.971%0.70958%0.575SS**SBend48.32.3109-122.9170.2-178.8159-0.5122.6E122R76-E122 PolarHBondContact NH2-O 3.49Å
77S31.9Very low38.7Very low97 Ų97118.5 Ų118.568%0.67858%0.584SS**  trans-158.8118.5174.962.30000117.4K75K75-S77 VanDerWaalsContact C-N 3.26Å; K75-S77 PolarHBondContact O-N 3.38Å
78L29.6Very low38.6Very low160 Ų160122.2 Ų122.284%0.83860%0.596SS**  trans69.5138.8145.6-73.9163.4000122.5
79E31.1Very low38.3Very low160 Ų160123.8 Ų123.875%0.74861%0.608SS**  trans78.7126.3155.8-72.1179.3-148.600122.8
80N32.1Very low38.4Very low123 Ų123131 Ų13166%0.65863%0.633SS**  trans72.391.9154.2-62.4-43000122.1
81N35.9Very low38.5Very low133 Ų133129.5 Ų129.571%0.71163%0.629SS**  81.5124.5123.1-55.5-12.3000122.4
82D35.5Very low38.3Very low152 Ų152126.7 Ų126.781%0.81362%0.624SS**  trans54.671.4136.8-59.6-17000120.7
83L39.1Very low38.6Very low129 Ų129129.9 Ų129.968%0.67564%0.641SS**  trans-128.8135.2143.5-78.3174.2000110
84R45.6Very low39Very low188 Ų188130.4 Ų130.471%0.70964%0.641SS**  trans-70.7146-169-69.2-176177.3-173.31.2112.1E86 E87R84-E86 PolarHBondContact O-N 3.47Å; R84-E87 PolarHBondContact O-N 3.26Å
85K40.5Very low39.1Very low187 Ų187129.9 Ų129.981%0.81363%0.629SS**Hα-helixtrans-53.9-39.5179.7-85.6-173.9170.1-175.90113.2E87 K88 V89K85-E87 PolarHBondContact O-N 3.01Å; K85-K88 PolarHBondContact O-N 2.87Å; K85-V89 PolarHBondContact O-N 3.36Å; K85-V89 VanDerWaalsContact O-N 3.16Å
86E41.7Very low39.2Very low150 Ų150127.5 Ų127.570%0.70162%0.622SS**Hα-helixtrans-65.1-36.1-173.8-63.5166.6140.100112.5R84 R90R84-E86 PolarHBondContact O-N 3.47Å; E86-R90 WeakPolarHBondContact O-CB 3.44Å; E86-R90 PolarHBondContact O-N 3.02Å; E86-R90 VanDerWaalsContact O-N 3.08Å
87E43.6Very low39.6Very low108 Ų108123.7 Ų123.751%0.50562%0.616SS.*Hα-helixtrans-70-35.9176-67.1179.2115.700111.9R84 K85 R90 L91R84-E87 PolarHBondContact O-N 3.26Å; K85-E87 PolarHBondContact O-N 3.01Å; E87-R90 PolarHBondContact O-N 2.86Å; E87-L91 WeakPolarHBondContact O-CB 3.44Å; E87-L91 WeakPolarHBondContact O-CG 3.24Å; E87-L91 PolarHBondContact O-N 3Å
88K40.9Very low40.1Very low136 Ų136125.1 Ų125.159%0.59161%0.612SS**Hα-helixtrans-68.7-37.2178.2-66.3-170.9177.4-175.10112.5K85 A92K85-K88 PolarHBondContact O-N 2.87Å; K88-A92 PolarHBondContact O-N 3.28Å
89V39.8Very low40.5Very low87 Ų87121.3 Ų121.353%0.52759%0.592SS.*Hα-helixtrans-65.4-51.3172.2176.70000110K85 L91 A92 D93K85-V89 PolarHBondContact O-N 3.36Å; K85-V89 VanDerWaalsContact O-N 3.16Å; V89-L91 VanDerWaalsContact C-N 3.27Å; V89-L91 PolarHBondContact O-N 3.32Å; V89-A92 WeakPolarHBondContact O-CA 3.35Å; V89-A92 WeakPolarHBondContact O-CB 3.25Å; V89-A92 PolarHBondContact O-N 3.32Å; V89-D93 PolarHBondContact O-N 2.98Å
90R46.6Very low40.8Very low176 Ų176119.5 Ų119.566%0.66458%0.583SS**Hα-helixtrans-61.5-31.6-178.4-169.4177.2-179.5-165.3-0.3113.6E86 E87 Q94E86-R90 WeakPolarHBondContact O-CB 3.44Å; E86-R90 PolarHBondContact O-N 3.02Å; E86-R90 VanDerWaalsContact O-N 3.08Å; E87-R90 PolarHBondContact O-N 2.86Å; R90-Q94 WeakPolarHBondContact O-CB 3.5Å; R90-Q94 WeakPolarHBondContact O-CG 3.3Å; R90-Q94 PolarHBondContact O-N 3.31Å; R90-Q94 VanDerWaalsContact O-N 3.13Å
91L42.2Very low41Very low103 Ų103118.7 Ų118.754%0.53959%0.585SS.*Hα-helixtrans-72-32.3172.2-79.6167.1000113E87 V89 L95E87-L91 WeakPolarHBondContact O-CB 3.44Å; E87-L91 WeakPolarHBondContact O-CG 3.24Å; E87-L91 PolarHBondContact O-N 3Å; V89-L91 VanDerWaalsContact C-N 3.27Å; V89-L91 PolarHBondContact O-N 3.32Å; L91-L95 PolarHBondContact O-N 2.91Å; L91-L95 VanDerWaalsContact O-N 3.08Å
92A39.5Very low41.1Very low48 Ų48118.4 Ų118.440%0.39758%0.578SS.*Hα-helixtrans-70.2-44.8174.700000111.3K88 V89 Q94 L95 I96K88-A92 PolarHBondContact O-N 3.28Å; V89-A92 WeakPolarHBondContact O-CA 3.35Å; V89-A92 WeakPolarHBondContact O-CB 3.25Å; V89-A92 PolarHBondContact O-N 3.32Å; A92-Q94 VanDerWaalsContact C-N 3.33Å; A92-Q94 PolarHBondContact O-N 3.27Å; A92-L95 WeakPolarHBondContact O-CB 3.36Å; A92-L95 PolarHBondContact O-N 2.72Å; A92-I96 WeakPolarHBondContact O-CG1 3.44Å; A92-I96 PolarHBondContact O-N 2.88Å
93D42.7Very low41.3Very low88 Ų88118.8 Ų118.847%0.47157%0.572SS.*Hα-helixtrans-57.9-45.9173.9-60.9-36.1000110.9V89 L95 I96 D97V89-D93 PolarHBondContact O-N 2.98Å; D93-L95 VanDerWaalsContact C-N 3.26Å; D93-L95 PolarHBondContact O-N 3.09Å; D93-I96 PolarHBondContact O-N 2.9Å; D93-I96 VanDerWaalsContact O-N 3.14Å; D93-D97 PolarHBondContact O-N 3Å
94Q45.1Very low40.9Very low92 Ų92121.6 Ų121.643%0.4358%0.582SS.*Hα-helixtrans-63.1-26.6174.8-78.9-174.6-23.300114.2R90 A92 Q98R90-Q94 WeakPolarHBondContact O-CB 3.5Å; R90-Q94 WeakPolarHBondContact O-CG 3.3Å; R90-Q94 PolarHBondContact O-N 3.31Å; R90-Q94 VanDerWaalsContact O-N 3.13Å; A92-Q94 VanDerWaalsContact C-N 3.33Å; A92-Q94 PolarHBondContact O-N 3.27Å; Q94-Q98 WeakPolarHBondContact O-CB 3.47Å; Q94-Q98 VanDerWaalsContact O-CG 3.27Å; Q94-Q98 WeakPolarHBondContact O-CG 3.34Å; Q94-Q98 PolarHBondContact O-N 3.14Å; Q94-Q98 PolarHBondContact O-NE2 3.05Å
95L39.5Very low40.6Very low60 Ų60116.8 Ų116.831%0.31459%0.59SS.*Hα-helixtrans-74.5-40.8173.2-126.282.9000111V67 L91 A92 D93 Q98 L99V67-L95 HydrophobicContact CG1-CD2 4.16Å; L91-L95 PolarHBondContact O-N 2.91Å; L91-L95 VanDerWaalsContact O-N 3.08Å; A92-L95 WeakPolarHBondContact O-CB 3.36Å; A92-L95 PolarHBondContact O-N 2.72Å; D93-L95 VanDerWaalsContact C-N 3.26Å; D93-L95 PolarHBondContact O-N 3.09Å; L95-Q98 PolarHBondContact O-N 2.78Å; L95-L99 WeakPolarHBondContact O-CB 3.19Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.16Å; L95-L99 PolarHBondContact O-N 2.9Å
96I44.1Very low40.6Very low112 Ų112111.9 Ų111.957%0.57457%0.573SS**Hα-helixtrans-63.6-44.6179.3-68.4164.4000110.6A92 D93 Q98 L99 Q100A92-I96 WeakPolarHBondContact O-CG1 3.44Å; A92-I96 PolarHBondContact O-N 2.88Å; D93-I96 PolarHBondContact O-N 2.9Å; D93-I96 VanDerWaalsContact O-N 3.14Å; I96-Q98 VanDerWaalsContact C-N 3.34Å; I96-Q98 PolarHBondContact O-N 3.06Å; I96-L99 PolarHBondContact O-N 3.41Å; I96-Q100 PolarHBondContact O-N 2.97Å; I96-Q100 VanDerWaalsContact O-N 3.16Å
97D45.5Very low40.4Very low108 Ų108111 Ų11158%0.57857%0.569SS**Hα-helixtrans-63.2-37.6173.9-74.6-12.1000112D93 L99 Q100D93-D97 PolarHBondContact O-N 3Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 3.29Å; D97-Q100 VanDerWaalsContact O-CB 3.26Å; D97-Q100 WeakPolarHBondContact O-CB 3.47Å; D97-Q100 PolarHBondContact O-N 3.16Å
98Q40.8Very low40.1Very low128 Ų128111.3 Ų111.360%0.59857%0.57SS**Hα-helixtrans-72.1-23.2176.5-8017269.200113.9Q94 L95 I96 P101Q94-Q98 WeakPolarHBondContact O-CB 3.47Å; Q94-Q98 VanDerWaalsContact O-CG 3.27Å; Q94-Q98 WeakPolarHBondContact O-CG 3.34Å; Q94-Q98 PolarHBondContact O-N 3.14Å; Q94-Q98 PolarHBondContact O-NE2 3.05Å; L95-Q98 PolarHBondContact O-N 2.78Å; I96-Q98 VanDerWaalsContact C-N 3.34Å; I96-Q98 PolarHBondContact O-N 3.06Å; Q98-P101 WeakPolarHBondContact O-CD 3.2Å
99L38.4Very low40.1Very low80 Ų80109 Ų10942%0.41957%0.565SS.*Hα-helixtrans-87.7-12.5175.5-71.6169000112.9L95 I96 D97 P101 F102L95-L99 WeakPolarHBondContact O-CB 3.19Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.16Å; L95-L99 PolarHBondContact O-N 2.9Å; I96-L99 PolarHBondContact O-N 3.41Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 3.29Å; L99-P101 VanDerWaalsContact C-N 3.3Å; L99-F102 HydrophobicContact CD2-CD2 4.35Å; L99-F102 PolarHBondContact O-N 2.73Å
100Q36.8Very low40.1Very low121 Ų121109.2 Ų109.257%0.56557%0.566SS**G310 helixtrans-52.6-33.7178.8-16317412.300115.1I96 D97 F102 K103I96-Q100 PolarHBondContact O-N 2.97Å; I96-Q100 VanDerWaalsContact O-N 3.16Å; D97-Q100 VanDerWaalsContact O-CB 3.26Å; D97-Q100 WeakPolarHBondContact O-CB 3.47Å; D97-Q100 PolarHBondContact O-N 3.16Å; Q100-F102 VanDerWaalsContact C-N 3.27Å; Q100-F102 PolarHBondContact O-N 3.02Å; Q100-K103 WeakPolarHBondContact O-CB 3.36Å; Q100-K103 PolarHBondContact O-N 2.8Å
101P36.6Very low39.8Very low107 Ų107105.4 Ų105.470%0.69555%0.554SS**G310 helixtrans-69.6-14.7174.7-21.335.1000115.5Q98 L99Q98-P101 WeakPolarHBondContact O-CD 3.2Å; L99-P101 VanDerWaalsContact C-N 3.3Å
102F38.2Very low39.7Very low126 Ų126104.8 Ų104.855%0.55355%0.55SS**G310 helixtrans-97.68.4178.6-58.8-81.8000112.8L99 Q100 E104L99-F102 HydrophobicContact CD2-CD2 4.35Å; L99-F102 PolarHBondContact O-N 2.73Å; Q100-F102 VanDerWaalsContact C-N 3.27Å; Q100-F102 PolarHBondContact O-N 3.02Å; F102-E104 PolarHBondContact O-N 3.12Å
103K39.4Very low39.8Very low160 Ų160105.1 Ų105.170%0.69655%0.545SS*.  trans-79.3-16-170.1-161.1169.7-173.4173.30113.9Q100Q100-K103 WeakPolarHBondContact O-CB 3.36Å; Q100-K103 PolarHBondContact O-N 2.8Å
104E32.5Very low39.7Very low189 Ų189107 Ų10788%0.88355%0.549SS*.SBendtrans-88.2119.8173.9-66.2-176.8164.400110.4F102F102-E104 PolarHBondContact O-N 3.12Å
105G37.8Very low39.4Very low86 Ų86109 Ų10989%0.88756%0.557SS**SBendtrans87.50.2167.900000118
106N41.9Very low39.4Very low85 Ų85109.4 Ų109.446%0.45556%0.559SS.*  trans-128.334.8-172.1-120.1-29.5000115.2E108 L109 V110N106-E108 VanDerWaalsContact C-N 3.27Å; N106-E108 PolarHBondContact O-N 2.97Å; N106-L109 HydrophobicContact CB-CB 4.49Å; N106-L109 PolarHBondContact O-N 3.22Å; N106-L109 VanDerWaalsContact O-N 3.15Å; N106-V110 PolarHBondContact O-N 3.22Å
107E37Very low39Very low132 Ų132108.4 Ų108.462%0.61755%0.554SS**Hα-helixtrans-53.8-39.2179-71.5-162.1162.700113.9L109 V110 K111E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 3.43Å; E107-V110 PolarHBondContact O-N 3.16Å; E107-K111 HydrophobicContact CB-CD 4.46Å; E107-K111 WeakPolarHBondContact O-CB 3.33Å; E107-K111 WeakPolarHBondContact O-CD 3.36Å; E107-K111 VanDerWaalsContact O-CG 3.3Å; E107-K111 WeakPolarHBondContact O-CG 3.36Å; E107-K111 PolarHBondContact O-N 3.37Å; E107-K111 WeakPolarHBondContact OE2-CE 3.36Å; E107-K111 IonicContact OE2-NZ 3.41Å; E107-K111 PolarHBondContact OE2-NZ 2.85Å
108E36.3Very low38.4Very low113 Ų113108.9 Ų108.953%0.52856%0.556SS.*Hα-helixtrans-62.1-39.2179.8-74.6-57.8111.200112.3N106 V110 K111 I112N106-E108 VanDerWaalsContact C-N 3.27Å; N106-E108 PolarHBondContact O-N 2.97Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 3.22Å; E108-K111 PolarHBondContact O-N 2.82Å; E108-K111 WeakPolarHBondContact OE1-CD 3.45Å; E108-K111 IonicContact OE1-NZ 2.7Å; E108-K111 PolarHBondContact OE1-NZ 3.32Å; E108-I112 WeakPolarHBondContact O-CB 3.37Å; E108-I112 WeakPolarHBondContact O-CD1 3.49Å; E108-I112 WeakPolarHBondContact O-CG1 3.46Å; E108-I112 PolarHBondContact O-N 3.41Å
109L41Very low38Very low89 Ų89108.7 Ų108.747%0.46656%0.558SS.*Hα-helixtrans-64.6-40.1176.1-168.870.3000111N106 E107 I112 L113N106-L109 HydrophobicContact CB-CB 4.49Å; N106-L109 PolarHBondContact O-N 3.22Å; N106-L109 VanDerWaalsContact O-N 3.15Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 3.43Å; L109-I112 PolarHBondContact O-N 2.66Å; L109-L113 HydrophobicContact CG-CD1 4.3Å; L109-L113 WeakPolarHBondContact O-CB 3.46Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.36Å
110V40.3Very low37.6Very low91 Ų91107.6 Ų107.655%0.55255%0.551SS**Hα-helixtrans-66.4-43.8175.4179.80000111.1N106 E107 E108 I112 L113 F114N106-V110 PolarHBondContact O-N 3.22Å; E107-V110 PolarHBondContact O-N 3.16Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 3.22Å; V110-I112 PolarHBondContact O-N 2.97Å; V110-L113 PolarHBondContact O-N 2.76Å; V110-F114 WeakPolarHBondContact O-CB 3.34Å; V110-F114 PolarHBondContact O-N 3.39Å
111K40Very low37.2Very low96 Ų96107.1 Ų107.142%0.41756%0.561SS.*Hα-helixtrans-59.9-43.6175.1-72.5157.7-178.6164.20111.2E107 E108 F114 F115E107-K111 HydrophobicContact CB-CD 4.46Å; E107-K111 WeakPolarHBondContact O-CB 3.33Å; E107-K111 WeakPolarHBondContact O-CD 3.36Å; E107-K111 VanDerWaalsContact O-CG 3.3Å; E107-K111 WeakPolarHBondContact O-CG 3.36Å; E107-K111 PolarHBondContact O-N 3.37Å; E107-K111 WeakPolarHBondContact OE2-CE 3.36Å; E107-K111 IonicContact OE2-NZ 3.41Å; E107-K111 PolarHBondContact OE2-NZ 2.85Å; E108-K111 PolarHBondContact O-N 2.82Å; E108-K111 WeakPolarHBondContact OE1-CD 3.45Å; E108-K111 IonicContact OE1-NZ 2.7Å; E108-K111 PolarHBondContact OE1-NZ 3.32Å; K111-F114 PolarHBondContact O-N 3.39Å; K111-F115 WeakPolarHBondContact O-CB 3.49Å; K111-F115 PolarHBondContact O-N 3.46Å
112I41.2Very low36.8Very low90 Ų90109.6 Ų109.646%0.46256%0.563SS.*Hα-helixtrans-64.5-48.9177.4-70.7163.8000111.1E108 L109 V110 F114 F115 L116E108-I112 WeakPolarHBondContact O-CB 3.37Å; E108-I112 WeakPolarHBondContact O-CD1 3.49Å; E108-I112 WeakPolarHBondContact O-CG1 3.46Å; E108-I112 PolarHBondContact O-N 3.41Å; L109-I112 PolarHBondContact O-N 2.66Å; V110-I112 PolarHBondContact O-N 2.97Å; I112-F114 VanDerWaalsContact C-N 3.28Å; I112-F114 PolarHBondContact O-N 2.68Å; I112-F115 PolarHBondContact O-N 3.31Å; I112-L116 HydrophobicContact CG2-CD1 3.92Å; I112-L116 VanDerWaalsContact O-CG 3.28Å; I112-L116 WeakPolarHBondContact O-CG 3.45Å; I112-L116 PolarHBondContact O-N 3.04Å
113L41.3Very low36.4Very low54 Ų54108.9 Ų108.928%0.28357%0.572SS.*Hα-helixtrans-59.9-39176-71.9167.4000111.8L72 L109 V110 L116 L117L72-L113 HydrophobicContact CD1-CD2 3.87Å; L109-L113 HydrophobicContact CG-CD1 4.3Å; L109-L113 WeakPolarHBondContact O-CB 3.46Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.36Å; V110-L113 PolarHBondContact O-N 2.76Å; L113-L116 PolarHBondContact O-N 3.38Å; L113-L117 WeakPolarHBondContact O-CG 3.02Å; L113-L117 PolarHBondContact O-N 3.01Å
114F40.4Very low35.8Very low129 Ų129110.2 Ų110.257%0.56658%0.58SS**Hα-helixtrans-70.1-37.5177.1-167-99.1000112.9V110 K111 I112 L117 L118V110-F114 WeakPolarHBondContact O-CB 3.34Å; V110-F114 PolarHBondContact O-N 3.39Å; K111-F114 PolarHBondContact O-N 3.39Å; I112-F114 VanDerWaalsContact C-N 3.28Å; I112-F114 PolarHBondContact O-N 2.68Å; F114-L117 PolarHBondContact O-N 3.48Å; F114-L118 HydrophobicContact CD1-CD1 3.81Å; F114-L118 HydrophobicContact CE1-CD1 3.6Å; F114-L118 HydrophobicContact CE1-CG 4.44Å; F114-L118 HydrophobicContact CZ-CD1 4.46Å; F114-L118 PolarHBondContact O-N 2.96Å
115F38.7Very low35.7Very low133 Ų133107.2 Ų107.258%0.58358%0.58SS**Hα-helixtrans-66.4-39.7173.8-126.3-82.8000111.8K111 I112 L118 L119K111-F115 WeakPolarHBondContact O-CB 3.49Å; K111-F115 PolarHBondContact O-N 3.46Å; I112-F115 PolarHBondContact O-N 3.31Å; F115-L118 PolarHBondContact O-N 3.1Å; F115-L119 HydrophobicContact CD1-CD1 4.42Å; F115-L119 WeakPolarHBondContact O-CD1 3.34Å; F115-L119 WeakPolarHBondContact O-CG 3.08Å; F115-L119 PolarHBondContact O-N 3.5Å
116L38.8Very low35.2Very low68 Ų68108.1 Ų108.136%0.35657%0.573SS.*Hα-helixtrans-65.2-39.8174.9-67.6166.3000111.2L72 I112 L113 L118 L119L72-L116 HydrophobicContact CD1-CB 3.88Å; L72-L116 HydrophobicContact CD1-CD1 3.97Å; L72-L116 HydrophobicContact CD2-CB 3.58Å; L72-L116 HydrophobicContact CG-CB 4.27Å; I112-L116 HydrophobicContact CG2-CD1 3.92Å; I112-L116 VanDerWaalsContact O-CG 3.28Å; I112-L116 WeakPolarHBondContact O-CG 3.45Å; I112-L116 PolarHBondContact O-N 3.04Å; L113-L116 PolarHBondContact O-N 3.38Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-L118 PolarHBondContact O-N 3.15Å; L116-L119 PolarHBondContact O-N 3.28Å
117L35.9Very low34.7Very low92 Ų92109 Ų10948%0.48258%0.583SS.*Hα-helixtrans-62.5-36.4173.1-80.9167.7000113.1L72 L113 F114 L119L72-L117 HydrophobicContact CD2-CB 4.29Å; L72-L117 HydrophobicContact CD2-CD2 3.85Å; L72-L117 HydrophobicContact CD2-CG 3.67Å; L113-L117 WeakPolarHBondContact O-CG 3.02Å; L113-L117 PolarHBondContact O-N 3.01Å; F114-L117 PolarHBondContact O-N 3.48Å; L117-L119 VanDerWaalsContact C-N 3.29Å; L117-L119 PolarHBondContact O-N 3.1Å
118L32.8Very low34.4Very low117 Ų117108.8 Ų108.861%0.61359%0.591SS**Hα-helixtrans-71.3-18.4-179.6-90.9165.3000114.3F114 F115 L116F114-L118 HydrophobicContact CD1-CD1 3.81Å; F114-L118 HydrophobicContact CE1-CD1 3.6Å; F114-L118 HydrophobicContact CE1-CG 4.44Å; F114-L118 HydrophobicContact CZ-CD1 4.46Å; F114-L118 PolarHBondContact O-N 2.96Å; F115-L118 PolarHBondContact O-N 3.1Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-L118 PolarHBondContact O-N 3.15Å
119L32.1Very low34.2Very low124 Ų124109.8 Ų109.865%0.64960%0.6SS**THydrogen-bonded Turntrans-89-11.8-171.9-74.9165.8000115.2F115 L116 L117F115-L119 HydrophobicContact CD1-CD1 4.42Å; F115-L119 WeakPolarHBondContact O-CD1 3.34Å; F115-L119 WeakPolarHBondContact O-CG 3.08Å; F115-L119 PolarHBondContact O-N 3.5Å; L116-L119 PolarHBondContact O-N 3.28Å; L117-L119 VanDerWaalsContact C-N 3.29Å; L117-L119 PolarHBondContact O-N 3.1Å
120E30.7Very low33.6Very low58 Ų58111.4 Ų111.427%0.27161%0.614SS.*SBendtrans-88.2-11-168.9-101.2-151122.400117A74 K75A74-E120 PolarHBondContact N-OE1 3.11Å; K75-E120 PolarHBondContact N-OE1 3.44Å
121S28.9Very low33.2Very low111 Ų111113.4 Ų113.478%0.77662%0.621SS**  trans-14092.2-169.955.20000119.1
122E28.3Very low32.6Very low158 Ų158112.8 Ų112.874%0.73864%0.635SS**  trans-142.8165.1155.5-114.9-161.3-168.500108.8R76R76-E122 PolarHBondContact NH2-O 3.49Å
123P28.8Very low31.9Very low112 Ų112114.5 Ų114.573%0.72765%0.649SS**  cis-126.3-158.5-11.136.1-16.1000112.8
124Q27.8Very low31.2Very low188 Ų188121.6 Ų121.688%0.87967%0.673SS**  trans-86.9160.1-160.6-53.6177.68.100117.5
125S30.4Very low30.8Very low125 Ų125117.4 Ų117.487%0.87467%0.666SS**  trans-140.6159.1137.360.90000111.3
126S27.5Very low30.3Very low106 Ų106119.6 Ų119.674%0.74168%0.676SS**  trans-102.9-179.9-161.569.90000113.9
127P31.4Very low29.9Very low102 Ų102122.9 Ų122.966%0.66269%0.689SS**  cis-133.6-157.8-13.534.7-12.8000113.2
128T30Very low29.7Very low129 Ų129123.9 Ų123.979%0.79169%0.691SS**  trans66.466.6153.550.70000120
129N31.2Very low29.6Very low133 Ų133122.7 Ų122.771%0.71169%0.692SS**  trans-151.2117.3134.2-150.4-32.3000111.4N131N129-N131 VanDerWaalsContact C-N 3.35Å; N129-N131 PolarHBondContact O-N 2.82Å
130T28.3Very low29.5Very low123 Ų123121.2 Ų121.276%0.75568%0.684SS**THydrogen-bonded Turntrans-83.3-2-167.1430000115.5
131N31.9Very low29.6Very low133 Ų133124.6 Ų124.671%0.71170%0.704SS**THydrogen-bonded Turntrans-102.98-170-633.7000113.9N129N129-N131 VanDerWaalsContact C-N 3.35Å; N129-N131 PolarHBondContact O-N 2.82Å
132A29.3Very low29.9Very low84 Ų84122.8 Ų122.869%0.69469%0.688SS**  trans-103.128.7-170.400000114.8Y134A132-Y134 PolarHBondContact O-N 3.06Å
133V25.5Very low29.9Very low125 Ų125119.2 Ų119.276%0.75869%0.694SS**  trans-79-0.3-176.5-171.60000112.9
134Y26.7Very low30Very low204 Ų204117 Ų11780%0.868%0.681SS**  trans-84123.6-178.4-75.6-91.8000112.7A132A132-Y134 PolarHBondContact O-N 3.06Å
135G31.4Very low30.3Very low41 Ų41114.3 Ų114.342%0.42368%0.678SS.*SBendtrans171.6-98.617700000110.7Q137 H138G135-Q137 PolarHBondContact O-N 3.39Å; G135-H138 PolarHBondContact O-N 2.94Å
136F27.8Very low30.3Very low178 Ų178111.2 Ų111.278%0.78166%0.66SS**Hα-helixtrans-59.7-44.5-169-154.3-108.4000114.6H138 C139 L140F136-H138 VanDerWaalsContact C-N 3.29Å; F136-H138 PolarHBondContact O-N 3.26Å; F136-C139 PolarHBondContact O-N 2.84Å; F136-L140 HydrophobicContact CD1-CD1 3.93Å; F136-L140 HydrophobicContact CE1-CD1 4.01Å; F136-L140 PolarHBondContact O-N 2.78Å
137Q30.4Very low30.5Very low137 Ų137108.4 Ų108.464%0.6464%0.636SS**Hα-helixtrans-75.8-15-173.4-155.9162.710.800113.8G135 N141G135-Q137 PolarHBondContact O-N 3.39Å; Q137-N141 WeakPolarHBondContact O-CB 3.28Å; Q137-N141 PolarHBondContact O-N 3.38Å; Q137-N141 PolarHBondContact O-ND2 3.12Å; Q137-N141 PolarHBondContact O-OD1 3.03Å
138H33.4Very low30.4Very low113 Ų113111.2 Ų111.252%0.52364%0.638SS.*Hα-helixtrans-78.2-36.5171.6-164.1-46.4000111.3G135 F136 L140 N141 T142G135-H138 PolarHBondContact O-N 2.94Å; F136-H138 VanDerWaalsContact C-N 3.29Å; F136-H138 PolarHBondContact O-N 3.26Å; H138-L140 VanDerWaalsContact C-N 3.32Å; H138-L140 PolarHBondContact O-N 3.1Å; H138-N141 PolarHBondContact O-N 3.01Å; H138-T142 PolarHBondContact O-N 2.79Å; H138-T142 VanDerWaalsContact O-N 3.1Å; H138-T142 PolarHBondContact O-OG1 3.12Å
139C30.3Very low30.3Very low93 Ų93110.2 Ų110.263%0.62863%0.627SS**Hα-helixtrans-67.1-32.8176.6-610000112.5F136 T142F136-C139 PolarHBondContact O-N 2.84Å; C139-T142 PolarHBondContact O-OG1 3.09Å; C139-T142 VanDerWaalsContact O-OG1 3.1Å
140L30.2Very low30.2Very low92 Ų92108.7 Ų108.748%0.48262%0.623SS.*Hα-helixtrans-70.6-34.6173.2-69.6168.9000112.6F136 H138 I147F136-L140 HydrophobicContact CD1-CD1 3.93Å; F136-L140 HydrophobicContact CE1-CD1 4.01Å; F136-L140 PolarHBondContact O-N 2.78Å; H138-L140 VanDerWaalsContact C-N 3.32Å; H138-L140 PolarHBondContact O-N 3.1Å; L140-I147 WeakPolarHBondContact O-CD1 3.32Å
141N32.4Very low30.3Very low129 Ų129109.6 Ų109.669%0.6962%0.618SS**Hα-helixtrans-89-12.8-175.2-691.1000114.1Q137 H138 G143Q137-N141 WeakPolarHBondContact O-CB 3.28Å; Q137-N141 PolarHBondContact O-N 3.38Å; Q137-N141 PolarHBondContact O-ND2 3.12Å; Q137-N141 PolarHBondContact O-OD1 3.03Å; H138-N141 PolarHBondContact O-N 3.01Å; N141-G143 PolarHBondContact O-N 3.48Å
142T35.7Very low30.1Very low73 Ų73113.1 Ų113.145%0.44862%0.622SS.*SBendtrans-76.3113.3171.9380000110.7H138 C139 S144H138-T142 PolarHBondContact O-N 2.79Å; H138-T142 VanDerWaalsContact O-N 3.1Å; H138-T142 PolarHBondContact O-OG1 3.12Å; C139-T142 PolarHBondContact O-OG1 3.09Å; C139-T142 VanDerWaalsContact O-OG1 3.1Å; T142-S144 PolarHBondContact O-N 3.22Å
143G28.2Very low29.9Very low84 Ų84117.3 Ų117.387%0.86662%0.62SS**  trans-64.479.1-167.600000116.5N141N141-G143 PolarHBondContact O-N 3.48Å
144S30.8Very low30Very low65 Ų65115 Ų11546%0.45561%0.61SS.*  trans-68.8137.4159.1169.60000110.4T142 A146 I147T142-S144 PolarHBondContact O-N 3.22Å; S144-A146 PolarHBondContact O-N 3.42Å; S144-A146 PolarHBondContact OG-N 2.79Å; S144-I147 PolarHBondContact O-N 3.32Å; S144-I147 VanDerWaalsContact O-N 3.14Å
145T33.5Very low29.9Very low132 Ų132109.9 Ų109.981%0.8159%0.592SS**THydrogen-bonded Turntrans-61.5-16.2-179.67.20000114.1
146A31.6Very low29.6Very low59 Ų59114.4 Ų114.449%0.48861%0.607SS.*THydrogen-bonded Turntrans-77.4-31.7175.700000113.8S144 K148 L149 V150S144-A146 PolarHBondContact O-N 3.42Å; S144-A146 PolarHBondContact OG-N 2.79Å; A146-K148 VanDerWaalsContact C-N 3.32Å; A146-K148 PolarHBondContact O-N 2.86Å; A146-L149 WeakPolarHBondContact O-CB 3.45Å; A146-L149 PolarHBondContact O-N 3.49Å; A146-L149 VanDerWaalsContact O-N 3.08Å; A146-V150 PolarHBondContact O-N 3.19Å
147I31.1Very low29.5Very low48 Ų48109.7 Ų109.725%0.24660%0.601CS.*Hα-helixtrans-69.2-33.1-172.9-62.5178.3000111.2L140 S144 L149 V150 E151L140-I147 WeakPolarHBondContact O-CD1 3.32Å; S144-I147 PolarHBondContact O-N 3.32Å; S144-I147 VanDerWaalsContact O-N 3.14Å; I147-L149 PolarHBondContact O-N 2.78Å; I147-L149 VanDerWaalsContact O-N 3.12Å; I147-V150 PolarHBondContact O-N 3.08Å; I147-E151 HydrophobicContact CG2-CG 4.24Å; I147-E151 PolarHBondContact O-N 2.9Å
148K28.4Very low29.3Very low160 Ų160111.9 Ų111.970%0.69660%0.604SS**Hα-helixtrans-65-9.7173.1-76.2-172.7173.6-179.20115.1A146A146-K148 VanDerWaalsContact C-N 3.32Å; A146-K148 PolarHBondContact O-N 2.86Å
149L28.8Very low28.9Very low108 Ų108112 Ų11257%0.56561%0.608SS**Hα-helixtrans-90.6-38.4167.8-82155.3000111.3A146 I147 R152 Y153A146-L149 WeakPolarHBondContact O-CB 3.45Å; A146-L149 PolarHBondContact O-N 3.49Å; A146-L149 VanDerWaalsContact O-N 3.08Å; I147-L149 PolarHBondContact O-N 2.78Å; I147-L149 VanDerWaalsContact O-N 3.12Å; L149-R152 PolarHBondContact O-N 3.42Å; L149-Y153 HydrophobicContact CD2-CE2 4.28Å; L149-Y153 WeakPolarHBondContact O-CD2 3.22Å; L149-Y153 PolarHBondContact O-N 3.34Å
150V29.3Very low28.8Very low102 Ų102115 Ų11562%0.61861%0.612SS**Hα-helixtrans-66-47.5178.7-176.60000111.3A146 I147 R152 Y153 S154A146-V150 PolarHBondContact O-N 3.19Å; I147-V150 PolarHBondContact O-N 3.08Å; V150-R152 PolarHBondContact O-N 2.85Å; V150-R152 VanDerWaalsContact O-N 3.1Å; V150-Y153 PolarHBondContact O-N 2.89Å; V150-Y153 VanDerWaalsContact O-N 3.12Å; V150-S154 PolarHBondContact O-N 2.73Å; V150-S154 VanDerWaalsContact O-N 3.09Å
151E29.3Very low28.7Very low141 Ų141116.3 Ų116.366%0.65961%0.614SS**THydrogen-bonded Turntrans-66.2-10176.2-65-176.1134.800113.8I147I147-E151 HydrophobicContact CG2-CG 4.24Å; I147-E151 PolarHBondContact O-N 2.9Å
152R27.2Very low28.5Very low208 Ų208118.4 Ų118.479%0.78562%0.62SS**THydrogen-bonded Turntrans-94.8-11.1175.2-90.6-175.1163.7-169.4-6.3114.4L149 V150L149-R152 PolarHBondContact O-N 3.42Å; V150-R152 PolarHBondContact O-N 2.85Å; V150-R152 VanDerWaalsContact O-N 3.1Å
153Y27.1Very low28.1Very low171 Ų171122.3 Ų122.367%0.67164%0.638SS**THydrogen-bonded Turntrans-126.82.4-179.8-69.7-69.8000113.9L149 V150 F155L149-Y153 HydrophobicContact CD2-CE2 4.28Å; L149-Y153 WeakPolarHBondContact O-CD2 3.22Å; L149-Y153 PolarHBondContact O-N 3.34Å; V150-Y153 PolarHBondContact O-N 2.89Å; V150-Y153 VanDerWaalsContact O-N 3.12Å; Y153-F155 PolarHBondContact O-N 2.97Å
154S26.6Very low28.2Very low76 Ų76123.4 Ų123.453%0.53163%0.628SS.*  trans-74.688.3170.257.60000111.3V150 N156V150-S154 PolarHBondContact O-N 2.73Å; V150-S154 VanDerWaalsContact O-N 3.09Å; S154-N156 PolarHBondContact O-N 3.26Å
155F24.5Very low28Very low97 Ų97127.1 Ų127.143%0.42565%0.648SS.*  trans-60128.5169.6-95.2-103.4000110.8Y153 A157 D282 I284 M285Y153-F155 PolarHBondContact O-N 2.97Å; F155-A157 PolarHBondContact O-N 3.47Å; F155-D282 WeakPolarHBondContact CD1-OD2 3.36Å; F155-D282 HydrophobicContact CE1-CB 3.9Å; F155-D282 VanDerWaalsContact CE1-OD2 3.28Å; F155-D282 WeakPolarHBondContact CE1-OD2 3.2Å; F155-I284 HydrophobicContact CZ-CB 4.13Å; F155-I284 HydrophobicContact CZ-CG2 3.95Å; F155-M285 HydrophobicContact CD1-CG 4.49Å; F155-M285 HydrophobicContact CD2-CG 4.48Å; F155-M285 HydrophobicContact CD2-SD 4.15Å; F155-M285 HydrophobicContact CE1-CG 3.91Å; F155-M285 HydrophobicContact CE2-CG 3.89Å; F155-M285 HydrophobicContact CE2-SD 3.77Å; F155-M285 HydrophobicContact CZ-CG 3.58Å; F155-M285 HydrophobicContact CZ-SD 4.12Å
156N25.6Very low27.7Very low137 Ų137126.8 Ų126.873%0.73364%0.641SS**  trans-79.4109.2170.8-80.7-58.7000108.7S154 Y158S154-N156 PolarHBondContact O-N 3.26Å; N156-Y158 VanDerWaalsContact C-N 3.35Å; N156-Y158 PolarHBondContact O-N 3.23Å
157A25.9Very low27.4Very low79 Ų79130.9 Ų130.965%0.65365%0.652SS**  trans-65.393.2171.200000110.4F155 L159F155-A157 PolarHBondContact O-N 3.47Å; A157-L159 PolarHBondContact O-N 2.96Å
158Y25Very low27.3Very low182 Ų182134.3 Ų134.371%0.71467%0.671SS**  trans-74.9113.1164.1-100.1-94.4000108.4N156 H160N156-Y158 VanDerWaalsContact C-N 3.35Å; N156-Y158 PolarHBondContact O-N 3.23Å; Y158-H160 PolarHBondContact O-N 3.46Å
159L26.2Very low27.4Very low116 Ų116130.7 Ų130.761%0.60766%0.658SS**  trans-71.481.9165.6-78.3163.8000108.6A157 K161 L177A157-L159 PolarHBondContact O-N 2.96Å; L159-K161 PolarHBondContact O-N 2.86Å; L159-L177 HydrophobicContact CD1-CD1 3.72Å; L159-L177 HydrophobicContact CD1-CD2 4.21Å
160H27.6Very low27.7Very low155 Ų155134.8 Ų134.872%0.71868%0.675SS**  trans-65.7122.1166.4-108-97.3000108.9Y158Y158-H160 PolarHBondContact O-N 3.46Å
161K28.5Very low28.1Very low120 Ų120137 Ų13752%0.52268%0.683SS.*  trans-89.1127.8165.2-84.8-173156.1-148.60108.2L159 L169L159-K161 PolarHBondContact O-N 2.86Å; K161-L169 VanDerWaalsContact NZ-CD1 3.28Å
162E28Very low28.2Very low173 Ų173135.6 Ų135.681%0.80868%0.676SS**  trans-114.2161.8147.2-58.4-155.3125.500108.8V164E162-V164 PolarHBondContact O-N 3.35Å
163D26.4Very low29Very low156 Ų156130.2 Ų130.283%0.83466%0.66SS**SBendtrans52.148.2167.7-67.93000120
164V29.8Very low29.5Very low106 Ų106125.1 Ų125.164%0.64265%0.648SS**  trans-135.597.8140.5-172.10000110.9E162 D166E162-V164 PolarHBondContact O-N 3.35Å; V164-D166 PolarHBondContact O-N 2.93Å
165T26.9Very low30.1Very low144 Ų144122.1 Ų122.188%0.88363%0.626SS**  trans-81.773.3167.7540000111.4
166D27.1Very low30.9Very low124 Ų124120.3 Ų120.366%0.66363%0.625SS**  trans-154.6170.1156.5-136-32.4000113.9V164V164-D166 PolarHBondContact O-N 2.93Å
167M25.5Very low31.7Very low145 Ų145119 Ų11971%0.71462%0.617SS**SBendtrans-71.9164.8-158.2-56.2-108.1-172.100116.5
168N29.3Very low32.3Very low121 Ų121117.7 Ų117.765%0.64760%0.599SS**  trans81.325.8151-60.8-42.6000121.5H170 N171N168-H170 PolarHBondContact O-N 2.95Å; N168-N171 PolarHBondContact O-N 3.48Å
169L30.9Very low33.1Very low83 Ų83112.4 Ų112.444%0.43559%0.588SS.*G310 helixtrans-62.5-3.9175.4-8691.7000117K161 N171 E172K161-L169 VanDerWaalsContact NZ-CD1 3.28Å; L169-N171 PolarHBondContact O-N 2.84Å; L169-N171 VanDerWaalsContact O-N 3.14Å; L169-E172 HydrophobicContact CG-CG 4.45Å; L169-E172 WeakPolarHBondContact CG-OE2 3.41Å
170H35.2Very low34.1Very low195 Ų195111.8 Ų111.890%0.90359%0.589SS**G310 helixtrans-70.30.7173.3-72.4-48.7000115N168N168-H170 PolarHBondContact O-N 2.95Å
171N36.7Very low34.8Very low148 Ų148109.3 Ų109.379%0.79158%0.581SS**G310 helixtrans-126.22.9178-70.6-57.7000114.9N168 L169N168-N171 PolarHBondContact O-N 3.48Å; L169-N171 PolarHBondContact O-N 2.84Å; L169-N171 VanDerWaalsContact O-N 3.14Å
172E33.1Very low35.3Very low111 Ų111105 Ų10552%0.51957%0.568SS.*  trans-81.4136.9-174.2-65.1-164.6153.300112.8L169L169-E172 HydrophobicContact CG-CG 4.45Å; L169-E172 WeakPolarHBondContact CG-OE2 3.41Å
173E43.3Very low36.2Very low95 Ų9598.3 Ų98.344%0.44454%0.537SS..  trans-64.4132.9174.8-66.4-176.713300109.8L175 C176 R187E173-L175 HydrophobicContact CB-CB 4.3Å; E173-L175 HydrophobicContact CB-CG 4.39Å; E173-L175 PolarHBondContact O-N 2.94Å; E173-C176 WeakPolarHBondContact O-CB 3.2Å; E173-C176 PolarHBondContact O-N 2.88Å; E173-C176 PolarHBondContact O-SG 2.93Å; E173-R187 IonicContact OE2-CZ 3.18Å; E173-R187 IonicContact OE2-NE 2.8Å; E173-R187 PolarHBondContact OE2-NE 3.38Å; E173-R187 IonicContact OE2-NH2 2.71Å; E173-R187 PolarHBondContact OE2-NH2 2.88Å
174P36.3Very low37.2Very low64 Ų6499.2 Ų99.242%0.41653%0.529SS..G310 helixtrans-59.9-11.2177.425.1-35.7000114.1C176 L210P174-C176 PolarHBondContact O-N 3.44Å; P174-L210 HydrophobicContact CB-CD2 3.73Å; P174-L210 HydrophobicContact CB-CG 3.97Å; P174-L210 HydrophobicContact CG-CD1 4.49Å; P174-L210 HydrophobicContact CG-CD2 3.83Å; P174-L210 HydrophobicContact CG-CG 3.96Å
175L39.3Very low37.8Very low14 Ų14100.9 Ų100.97%0.07353%0.529CS..G310 helixtrans-62.4-22.8170.1-54.1179.4000112.7E173 L177 L178 Q183 M186 R187 L190E173-L175 HydrophobicContact CB-CB 4.3Å; E173-L175 HydrophobicContact CB-CG 4.39Å; E173-L175 PolarHBondContact O-N 2.94Å; L175-L177 PolarHBondContact O-N 3.08Å; L175-L177 VanDerWaalsContact O-N 3.13Å; L175-L178 HydrophobicContact CD2-CD1 4.23Å; L175-L178 WeakPolarHBondContact O-CB 3.02Å; L175-L178 PolarHBondContact O-N 3.36Å; L175-Q183 HydrophobicContact CB-CG 4.39Å; L175-Q183 WeakPolarHBondContact O-CG 3.49Å; L175-Q183 PolarHBondContact O-NE2 2.75Å; L175-M186 HydrophobicContact CD2-CB 3.7Å; L175-M186 HydrophobicContact CD2-CG 4.44Å; L175-M186 HydrophobicContact CD2-SD 3.94Å; L175-R187 HydrophobicContact CD1-CG 3.52Å; L175-L190 HydrophobicContact CD1-CD1 3.87Å; L175-L190 HydrophobicContact CD2-CD1 4.19Å; L175-L190 HydrophobicContact CG-CD1 4.49Å
176C43.1Very low38.6Very low59 Ų5996.7 Ų96.740%0.39950%0.5SS..G310 helixtrans-58-26.8-179.565.30000113.4E173 P174 L178 Q183E173-C176 WeakPolarHBondContact O-CB 3.2Å; E173-C176 PolarHBondContact O-N 2.88Å; E173-C176 PolarHBondContact O-SG 2.93Å; P174-C176 PolarHBondContact O-N 3.44Å; C176-L178 PolarHBondContact O-N 3.25Å; C176-Q183 PolarHBondContact O-NE2 2.87Å
177L41Very low39.6Very low109 Ų10995.6 Ų95.657%0.57149%0.487SS*.G310 helixtrans-74.9-6.3176.9-60.5172000114.2L159 L175L159-L177 HydrophobicContact CD1-CD1 3.72Å; L159-L177 HydrophobicContact CD1-CD2 4.21Å; L175-L177 PolarHBondContact O-N 3.08Å; L175-L177 VanDerWaalsContact O-N 3.13Å
178L38Very low40.4Very low52 Ų5294.5 Ų94.527%0.27248%0.48SS..SBendtrans-103155-177.9-58.8173.9000111.4L175 C176 A182 Q183 M186L175-L178 HydrophobicContact CD2-CD1 4.23Å; L175-L178 WeakPolarHBondContact O-CB 3.02Å; L175-L178 PolarHBondContact O-N 3.36Å; C176-L178 PolarHBondContact O-N 3.25Å; L178-A182 HydrophobicContact CB-CB 3.94Å; L178-Q183 HydrophobicContact CB-CG 4.19Å; L178-Q183 WeakPolarHBondContact O-CG 3.3Å; L178-Q183 PolarHBondContact O-NE2 3.2Å; L178-M186 HydrophobicContact CD1-CE 4.32Å; L178-M186 HydrophobicContact CD1-SD 3.38Å; L178-M186 WeakPolarHBondContact CD1-SD 3.49Å
179S42.5Very low40.8Very low71 Ų7191.1 Ų91.150%0.49747%0.469SS..  trans-59.2153174.373.80000111.9N181 A182 Q183S179-N181 PolarHBondContact O-N 3.24Å; S179-A182 CarbonylContact O-C 3.59Å; S179-A182 WeakPolarHBondContact O-CA 3.48Å; S179-A182 PolarHBondContact O-N 3.31Å; S179-Q183 PolarHBondContact O-N 3Å
180T47Very low41.3Very low102 Ų10292 Ų9263%0.62647%0.473SS*.Hα-helixtrans-57.5-27.7-172.8-33.40000113.9R184T180-R184 PolarHBondContact O-N 2.85Å
181N43.6Very low41.5Very low103 Ų10385.6 Ų85.655%0.55145%0.451SS*.Hα-helixtrans-78.2-41.8173.6-76.2-17.9000112.4S179 Q183 R184 H185S179-N181 PolarHBondContact O-N 3.24Å; N181-Q183 VanDerWaalsContact C-N 3.33Å; N181-Q183 PolarHBondContact O-N 3.22Å; N181-R184 WeakPolarHBondContact O-CB 3.47Å; N181-R184 PolarHBondContact O-N 2.99Å; N181-R184 VanDerWaalsContact O-N 3.14Å; N181-H185 PolarHBondContact O-CD2 2.93Å; N181-H185 VanDerWaalsContact O-CD2 3.27Å; N181-H185 PolarHBondContact O-N 3.02Å
182A38.9Very low41.6Very low30 Ų3084.9 Ų84.925%0.24845%0.446CS..Hα-helixtrans-62.9-40.3172.100000111.4L178 S179 R184 H185 M186L178-A182 HydrophobicContact CB-CB 3.94Å; S179-A182 CarbonylContact O-C 3.59Å; S179-A182 WeakPolarHBondContact O-CA 3.48Å; S179-A182 PolarHBondContact O-N 3.31Å; A182-R184 PolarHBondContact O-N 3.13Å; A182-H185 PolarHBondContact O-N 3.42Å; A182-M186 PolarHBondContact O-N 3.5Å
183Q46Very low41.5Very low32 Ų3284.7 Ų84.715%0.1546%0.456CS..Hα-helixtrans-55.6-45.7168.5-74.7-17235.500112.3L175 C176 L178 S179 N181 R187L175-Q183 HydrophobicContact CB-CG 4.39Å; L175-Q183 WeakPolarHBondContact O-CG 3.49Å; L175-Q183 PolarHBondContact O-NE2 2.75Å; C176-Q183 PolarHBondContact O-NE2 2.87Å; L178-Q183 HydrophobicContact CB-CG 4.19Å; L178-Q183 WeakPolarHBondContact O-CG 3.3Å; L178-Q183 PolarHBondContact O-NE2 3.2Å; S179-Q183 PolarHBondContact O-N 3Å; N181-Q183 VanDerWaalsContact C-N 3.33Å; N181-Q183 PolarHBondContact O-N 3.22Å; Q183-R187 VanDerWaalsContact O-CB 3.24Å; Q183-R187 WeakPolarHBondContact O-CB 2.94Å; Q183-R187 VanDerWaalsContact O-CG 3.32Å; Q183-R187 WeakPolarHBondContact O-CG 3.42Å; Q183-R187 PolarHBondContact O-N 3.09Å
184R48Very low40.9Very low175 Ų17589.8 Ų89.866%0.6647%0.471SS*.Hα-helixtrans-60.7-49.7175.7-87.7179.6173.7153.1-2.5111.9T180 N181 A182 M186 R187 H188T180-R184 PolarHBondContact O-N 2.85Å; N181-R184 WeakPolarHBondContact O-CB 3.47Å; N181-R184 PolarHBondContact O-N 2.99Å; N181-R184 VanDerWaalsContact O-N 3.14Å; A182-R184 PolarHBondContact O-N 3.13Å; R184-M186 PolarHBondContact O-N 2.82Å; R184-R187 PolarHBondContact O-N 3.38Å; R184-H188 VanDerWaalsContact O-CB 3.24Å; R184-H188 WeakPolarHBondContact O-CB 3.26Å; R184-H188 PolarHBondContact O-N 3.13Å
185H42.4Very low40.6Very low142 Ų14296.9 Ų96.966%0.65749%0.49SS*.Hα-helixtrans-64.1-39.8-179-79.5-76.3000112.4N181 A182 H188 A189N181-H185 PolarHBondContact O-CD2 2.93Å; N181-H185 VanDerWaalsContact O-CD2 3.27Å; N181-H185 PolarHBondContact O-N 3.02Å; A182-H185 PolarHBondContact O-N 3.42Å; H185-H188 PolarHBondContact O-N 3.41Å; H185-A189 WeakPolarHBondContact O-CB 3.48Å; H185-A189 PolarHBondContact O-N 2.86Å
186M42.6Very low40.2Very low55 Ų55106.4 Ų106.427%0.27153%0.525SS..Hα-helixtrans-75.8-39176.5-74.7-175178.400113.6L175 L178 A182 R184 H188 A189 L190 L217L175-M186 HydrophobicContact CD2-CB 3.7Å; L175-M186 HydrophobicContact CD2-CG 4.44Å; L175-M186 HydrophobicContact CD2-SD 3.94Å; L178-M186 HydrophobicContact CD1-CE 4.32Å; L178-M186 HydrophobicContact CD1-SD 3.38Å; L178-M186 WeakPolarHBondContact CD1-SD 3.49Å; A182-M186 PolarHBondContact O-N 3.5Å; R184-M186 PolarHBondContact O-N 2.82Å; M186-H188 PolarHBondContact O-N 2.96Å; M186-A189 PolarHBondContact O-N 3.32Å; M186-L190 VanDerWaalsContact O-CB 3.28Å; M186-L190 WeakPolarHBondContact O-CB 3.46Å; M186-L190 WeakPolarHBondContact O-CD1 3.48Å; M186-L190 VanDerWaalsContact O-CG 3.27Å; M186-L190 WeakPolarHBondContact O-CG 3.35Å; M186-L190 PolarHBondContact O-N 3.48Å; M186-L217 HydrophobicContact CE-CD1 3.59Å; M186-L217 HydrophobicContact CE-CD2 3.57Å; M186-L217 HydrophobicContact CE-CG 4.12Å; M186-L217 HydrophobicContact SD-CD1 4.25Å
187R47.9Very low39.6Very low102 Ų102107.8 Ų107.839%0.38554%0.54SS..Hα-helixtrans-62.7-33170.9-74.1-171.7177116.53.4111.5E173 L175 Q183 R184 S191E173-R187 IonicContact OE2-CZ 3.18Å; E173-R187 IonicContact OE2-NE 2.8Å; E173-R187 PolarHBondContact OE2-NE 3.38Å; E173-R187 IonicContact OE2-NH2 2.71Å; E173-R187 PolarHBondContact OE2-NH2 2.88Å; L175-R187 HydrophobicContact CD1-CG 3.52Å; Q183-R187 VanDerWaalsContact O-CB 3.24Å; Q183-R187 WeakPolarHBondContact O-CB 2.94Å; Q183-R187 VanDerWaalsContact O-CG 3.32Å; Q183-R187 WeakPolarHBondContact O-CG 3.42Å; Q183-R187 PolarHBondContact O-N 3.09Å; R184-R187 PolarHBondContact O-N 3.38Å; R187-S191 WeakPolarHBondContact O-CB 3.14Å; R187-S191 PolarHBondContact O-N 3.14Å; R187-S191 PolarHBondContact O-OG 3.38Å
188H42.4Very low39.1Very low121 Ų121112.6 Ų112.656%0.5656%0.557SS**Hα-helixtrans-67.1-50.5171.3-173.6-85.6000111.7R184 H185 M186 L190 S191 L192R184-H188 VanDerWaalsContact O-CB 3.24Å; R184-H188 WeakPolarHBondContact O-CB 3.26Å; R184-H188 PolarHBondContact O-N 3.13Å; H185-H188 PolarHBondContact O-N 3.41Å; M186-H188 PolarHBondContact O-N 2.96Å; H188-L190 VanDerWaalsContact C-N 3.34Å; H188-L190 PolarHBondContact O-N 3.48Å; H188-S191 PolarHBondContact O-N 3.07Å; H188-S191 PolarHBondContact O-OG 3.45Å; H188-L192 WeakPolarHBondContact O-CG 3.26Å; H188-L192 PolarHBondContact O-N 3.08Å
189A37.9Very low39.1Very low51 Ų51116.9 Ų116.942%0.42159%0.585SS.*Hα-helixtrans-58.9-43.1176.900000112.6H185 M186 L192 C193H185-A189 WeakPolarHBondContact O-CB 3.48Å; H185-A189 PolarHBondContact O-N 2.86Å; M186-A189 PolarHBondContact O-N 3.32Å; A189-L192 PolarHBondContact O-N 3.48Å; A189-C193 PolarHBondContact O-SG 2.8Å
190L41.7Very low38.8Very low100 Ų100123.1 Ų123.152%0.52460%0.603SS.*Hα-helixtrans-74.1-27.4179.1-68.7164.9000113.1L175 M186 H188 L192 C193L175-L190 HydrophobicContact CD1-CD1 3.87Å; L175-L190 HydrophobicContact CD2-CD1 4.19Å; L175-L190 HydrophobicContact CG-CD1 4.49Å; M186-L190 VanDerWaalsContact O-CB 3.28Å; M186-L190 WeakPolarHBondContact O-CB 3.46Å; M186-L190 WeakPolarHBondContact O-CD1 3.48Å; M186-L190 VanDerWaalsContact O-CG 3.27Å; M186-L190 WeakPolarHBondContact O-CG 3.35Å; M186-L190 PolarHBondContact O-N 3.48Å; H188-L190 VanDerWaalsContact C-N 3.34Å; H188-L190 PolarHBondContact O-N 3.48Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-C193 PolarHBondContact O-N 2.95Å
191S40.7Very low38Very low62 Ų62127.8 Ų127.843%0.43462%0.615SS.*Hα-helixtrans-70-32.2175.274.30000112.2R187 H188 C193R187-S191 WeakPolarHBondContact O-CB 3.14Å; R187-S191 PolarHBondContact O-N 3.14Å; R187-S191 PolarHBondContact O-OG 3.38Å; H188-S191 PolarHBondContact O-N 3.07Å; H188-S191 PolarHBondContact O-OG 3.45Å; S191-C193 PolarHBondContact O-N 3.43Å
192L37Very low37.2Very low132 Ų132132.6 Ų132.669%0.69163%0.631SS**Hα-helixtrans-65.4-22172.1-64.6169000113H188 A189 L190H188-L192 WeakPolarHBondContact O-CG 3.26Å; H188-L192 PolarHBondContact O-N 3.08Å; A189-L192 PolarHBondContact O-N 3.48Å; L190-L192 VanDerWaalsContact C-N 3.33Å
193C32.6Very low36.6Very low107 Ų107139.7 Ų139.772%0.72366%0.656SS**THydrogen-bonded Turntrans-90.36.6-177-65.50000115A189 L190 S191 W195A189-C193 PolarHBondContact O-SG 2.8Å; L190-C193 PolarHBondContact O-N 2.95Å; S191-C193 PolarHBondContact O-N 3.43Å; C193-W195 PolarHBondContact O-N 3.3Å
194R29.5Very low35.7Very low203 Ų203144.5 Ų144.577%0.76669%0.687SS**  trans-83.4104.8-177.5-72.9-177.7169.8-174.3-1.8112.9
195W29.7Very low34.7Very low213 Ų213141.7 Ų141.781%0.80769%0.685SS**  trans-167.6149139.1-121.650.9000115.4C193C193-W195 PolarHBondContact O-N 3.3Å
196R31.3Very low34Very low214 Ų214141.7 Ų141.781%0.80869%0.69SS**  trans67.1141.4170.5-61178.8-175.71755.1116.9
197A29.8Very low33.3Very low88 Ų88143.6 Ų143.673%0.72771%0.708SS**  cis-156.4162.7-14.200000112T199A197-T199 PolarHBondContact O-N 3Å
198K31Very low32.5Very low210 Ų210146.7 Ų146.791%0.91372%0.72SS**  trans-73.3111.5179.1-60.2169.8179.7175.30111.8
199T38.3Very low32.3Very low141 Ų141145.7 Ų145.787%0.86572%0.719SS**  trans-150.6162161.91.10000112.9A197A197-T199 PolarHBondContact O-N 3Å
200K36.8Very low32Very low202 Ų202147.7 Ų147.788%0.87872%0.722SS**  trans-81.6131.3-163.2-63.9171.7-179.9172.60114.2
201K29.4Very low31.7Very low200 Ų200149.1 Ų149.187%0.8773%0.73SS**SBendtrans53.6131.8152.3-65-170.2176.5-172.80119.5
202K27.3Very low31.3Very low204 Ų204151.2 Ų151.289%0.88774%0.736SS**SBendtrans85.3133.6173.9-61.7-175.8172.4-1780116.2
203K26.7Very low31.2Very low179 Ų179147.3 Ų147.378%0.77872%0.718SS**  trans51.275.6164.9-64.8-164.1168.3-162.30116.8
204V26.4Very low31.3Very low133 Ų133144.3 Ų144.381%0.80670%0.701SS**SBendtrans-101.196.9152.1179.50000107.7
205L27.8Very low31.7Very low117 Ų117136 Ų13661%0.61368%0.678SS**  trans52.976.2161.1-63.6163.5000117.3C207L205-C207 HydrophobicContact CB-CB 4.41Å; L205-C207 HydrophobicContact CD2-CB 4.02Å; L205-C207 PolarHBondContact O-N 2.98Å
206D27.9Very low32.1Very low141 Ų141131.3 Ų131.375%0.75467%0.667SS**THydrogen-bonded Turntrans-67.735.6155.8-52.2-64.3000111.8
207C27.4Very low32.4Very low96 Ų96124.1 Ų124.165%0.64964%0.644SS**THydrogen-bonded Turntrans-125.4-4.8-161.7-55.80000114.3L205L205-C207 HydrophobicContact CB-CB 4.41Å; L205-C207 HydrophobicContact CD2-CB 4.02Å; L205-C207 PolarHBondContact O-N 2.98Å
208Y31.3Very low33.2Very low167 Ų167123 Ų12366%0.65563%0.626SS**  trans-114.796.4168.4-80.3-86.4000109L210Y208-L210 PolarHBondContact O-N 3.2Å
209N37.6Very low33.9Very low100 Ų100116.7 Ų116.754%0.53560%0.602SS.*  trans-70.899.8163-178.8-9.5000107.4N211 L212 T213N209-N211 PolarHBondContact O-N 3.15Å; N209-N211 VanDerWaalsContact O-N 3.12Å; N209-N211 PolarHBondContact OD1-N 3.12Å; N209-L212 HydrophobicContact CB-CB 3.97Å; N209-L212 WeakPolarHBondContact O-CB 3.22Å; N209-L212 PolarHBondContact O-N 3.4Å; N209-T213 PolarHBondContact O-N 2.94Å; N209-T213 PolarHBondContact O-OG1 2.84Å
210L31.9Very low34.1Very low92 Ų92115 Ų11548%0.48259%0.587SS.*Hα-helixtrans-44.1-45.6-178.1-11163.5000112.3P174 Y208 L212 T213 A214P174-L210 HydrophobicContact CB-CD2 3.73Å; P174-L210 HydrophobicContact CB-CG 3.97Å; P174-L210 HydrophobicContact CG-CD1 4.49Å; P174-L210 HydrophobicContact CG-CD2 3.83Å; P174-L210 HydrophobicContact CG-CG 3.96Å; Y208-L210 PolarHBondContact O-N 3.2Å; L210-L212 VanDerWaalsContact C-N 3.33Å; L210-L212 PolarHBondContact O-N 3.37Å; L210-T213 PolarHBondContact O-N 2.97Å; L210-A214 VanDerWaalsContact O-CB 3.27Å; L210-A214 WeakPolarHBondContact O-CB 2.97Å; L210-A214 PolarHBondContact O-N 2.9Å
211N34.8Very low34.4Very low131 Ų131111.1 Ų111.170%0.70157%0.568SS**Hα-helixtrans-67.4-35-176.4-58.15.2000111.5N209 G215N209-N211 PolarHBondContact O-N 3.15Å; N209-N211 VanDerWaalsContact O-N 3.12Å; N209-N211 PolarHBondContact OD1-N 3.12Å; N211-G215 PolarHBondContact O-N 2.91Å
212L33.2Very low35.4Very low106 Ų106101.9 Ų101.956%0.55553%0.528SS*.Hα-helixtrans-74.3-41178.3-163.5128.4000111.1N209 L210 G215 M216N209-L212 HydrophobicContact CB-CB 3.97Å; N209-L212 WeakPolarHBondContact O-CB 3.22Å; N209-L212 PolarHBondContact O-N 3.4Å; L210-L212 VanDerWaalsContact C-N 3.33Å; L210-L212 PolarHBondContact O-N 3.37Å; L212-G215 PolarHBondContact O-N 2.95Å; L212-M216 HydrophobicContact CD2-SD 3.89Å; L212-M216 WeakPolarHBondContact O-CB 3.48Å; L212-M216 VanDerWaalsContact O-CG 3.29Å; L212-M216 WeakPolarHBondContact O-CG 3.32Å; L212-M216 PolarHBondContact O-N 3.33Å
213T34.6Very low36.4Very low50 Ų5095.8 Ų95.831%0.30751%0.505SS..Hα-helixtrans-65-44.6173.1-51.40000111.3N209 L210 M216 L217N209-T213 PolarHBondContact O-N 2.94Å; N209-T213 PolarHBondContact O-OG1 2.84Å; L210-T213 PolarHBondContact O-N 2.97Å; T213-M216 PolarHBondContact O-N 3.33Å; T213-L217 HydrophobicContact CG2-CD1 3.96Å; T213-L217 WeakPolarHBondContact O-CB 3.46Å; T213-L217 WeakPolarHBondContact O-CD1 3.24Å; T213-L217 WeakPolarHBondContact O-CG 3.39Å; T213-L217 PolarHBondContact O-N 3.42Å
214A35.2Very low37.2Very low44 Ų4490.1 Ų90.136%0.36449%0.491SS..Hα-helixtrans-61.9-44.5175.100000112L210 L217 N218L210-A214 VanDerWaalsContact O-CB 3.27Å; L210-A214 WeakPolarHBondContact O-CB 2.97Å; L210-A214 PolarHBondContact O-N 2.9Å; A214-L217 PolarHBondContact O-N 3.12Å; A214-N218 WeakPolarHBondContact O-CB 3.5Å; A214-N218 PolarHBondContact O-N 3.13Å
215G38.1Very low38.2Very low28 Ų2884.7 Ų84.729%0.28946%0.459SS..Hα-helixtrans-63.7-39176.600000113.6N211 L212 N219N211-G215 PolarHBondContact O-N 2.91Å; L212-G215 PolarHBondContact O-N 2.95Å; G215-N219 WeakPolarHBondContact O-CB 3.32Å; G215-N219 PolarHBondContact O-N 3.14Å; G215-N219 PolarHBondContact O-ND2 2.94Å
216M38Very low39.3Very low115 Ų11579.5 Ų79.557%0.56743%0.432SS*.Hα-helixtrans-66.2-43.1173.3-73.7177.971.200112.1L212 T213 N219 L220L212-M216 HydrophobicContact CD2-SD 3.89Å; L212-M216 WeakPolarHBondContact O-CB 3.48Å; L212-M216 VanDerWaalsContact O-CG 3.29Å; L212-M216 WeakPolarHBondContact O-CG 3.32Å; L212-M216 PolarHBondContact O-N 3.33Å; T213-M216 PolarHBondContact O-N 3.33Å; M216-N219 PolarHBondContact O-N 2.66Å; M216-L220 WeakPolarHBondContact O-CB 3.41Å; M216-L220 WeakPolarHBondContact O-CG 3.45Å; M216-L220 PolarHBondContact O-N 3.36Å
217L37.8Very low40.3Very low63 Ų6379 Ų7933%0.3343%0.426SS..Hα-helixtrans-65.8-39.8177.4-71.9167000112M186 T213 A214 L220 Y221M186-L217 HydrophobicContact CE-CD1 3.59Å; M186-L217 HydrophobicContact CE-CD2 3.57Å; M186-L217 HydrophobicContact CE-CG 4.12Å; M186-L217 HydrophobicContact SD-CD1 4.25Å; T213-L217 HydrophobicContact CG2-CD1 3.96Å; T213-L217 WeakPolarHBondContact O-CB 3.46Å; T213-L217 WeakPolarHBondContact O-CD1 3.24Å; T213-L217 WeakPolarHBondContact O-CG 3.39Å; T213-L217 PolarHBondContact O-N 3.42Å; A214-L217 PolarHBondContact O-N 3.12Å; L217-L220 PolarHBondContact O-N 3.46Å; L217-Y221 WeakPolarHBondContact O-CB 3.26Å; L217-Y221 PolarHBondContact O-N 3.16Å
218N45.1Very low41.4Very low65 Ų6575.6 Ų75.635%0.34841%0.405SS..Hα-helixtrans-63.7-49.9174.6-162.624.1000110.2A214 L220 Y221 L222A214-N218 WeakPolarHBondContact O-CB 3.5Å; A214-N218 PolarHBondContact O-N 3.13Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 3.06Å; N218-Y221 PolarHBondContact O-N 3.11Å; N218-Y221 VanDerWaalsContact O-N 3.16Å; N218-L222 HydrophobicContact CB-CD1 4.43Å; N218-L222 VanDerWaalsContact O-CB 3.25Å; N218-L222 WeakPolarHBondContact O-CB 3.31Å; N218-L222 WeakPolarHBondContact O-CD1 3.33Å; N218-L222 WeakPolarHBondContact O-CG 3.44Å; N218-L222 PolarHBondContact O-N 3.36Å
219N45.5Very low42.2Very low77 Ų7768.7 Ų68.741%0.41238%0.377SS..Hα-helixtrans-58.3-36.7176.2-83.1-61.8000113.5G215 M216 N223G215-N219 WeakPolarHBondContact O-CB 3.32Å; G215-N219 PolarHBondContact O-N 3.14Å; G215-N219 PolarHBondContact O-ND2 2.94Å; M216-N219 PolarHBondContact O-N 2.66Å; N219-N223 VanDerWaalsContact O-CB 3.28Å; N219-N223 WeakPolarHBondContact O-CB 3.36Å; N219-N223 VanDerWaalsContact O-CG 3.32Å; N219-N223 PolarHBondContact O-N 2.89Å; N219-N223 PolarHBondContact O-ND2 2.82Å; N219-N223 VanDerWaalsContact O-ND2 3.14Å
220L43Very low42.8Very low105 Ų10567.3 Ų67.355%0.5537%0.37SS..Hα-helixtrans-67.6-46.1174.3-82.6163.3000112.2M216 L217 N218 A224M216-L220 WeakPolarHBondContact O-CB 3.41Å; M216-L220 WeakPolarHBondContact O-CG 3.45Å; M216-L220 PolarHBondContact O-N 3.36Å; L217-L220 PolarHBondContact O-N 3.46Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 3.06Å; L220-A224 VanDerWaalsContact O-CB 3.32Å; L220-A224 WeakPolarHBondContact O-CB 3.43Å; L220-A224 PolarHBondContact O-N 3Å
221Y43.1Very low43.8Very low120 Ų12067 Ų6747%0.47137%0.369SS..Hα-helixtrans-63.5-42.2176.4175.9-100000112.1L217 N218 S225L217-Y221 WeakPolarHBondContact O-CB 3.26Å; L217-Y221 PolarHBondContact O-N 3.16Å; N218-Y221 PolarHBondContact O-N 3.11Å; N218-Y221 VanDerWaalsContact O-N 3.16Å; Y221-S225 VanDerWaalsContact O-CB 3.28Å; Y221-S225 WeakPolarHBondContact O-CB 3.39Å; Y221-S225 PolarHBondContact O-N 3.18Å; Y221-S225 PolarHBondContact O-OG 3.45Å
222L50Low44.6Very low7 Ų768.4 Ų68.44%0.03738%0.376CS..Hα-helixtrans-63-53.8176.1-71.9164.7000110.7N218 A224 S225 C226 V241 Y242N218-L222 HydrophobicContact CB-CD1 4.43Å; N218-L222 VanDerWaalsContact O-CB 3.25Å; N218-L222 WeakPolarHBondContact O-CB 3.31Å; N218-L222 WeakPolarHBondContact O-CD1 3.33Å; N218-L222 WeakPolarHBondContact O-CG 3.44Å; N218-L222 PolarHBondContact O-N 3.36Å; L222-A224 VanDerWaalsContact C-N 3.31Å; L222-A224 PolarHBondContact O-N 3.45Å; L222-S225 PolarHBondContact O-N 2.91Å; L222-S225 VanDerWaalsContact O-N 3.09Å; L222-C226 WeakPolarHBondContact O-CB 3.28Å; L222-C226 PolarHBondContact O-N 2.92Å; L222-C226 PolarHBondContact O-SG 3.29Å; L222-V241 HydrophobicContact CD2-CB 4.44Å; L222-V241 HydrophobicContact CD2-CG1 3.5Å; L222-V241 VanDerWaalsContact CD2-CG1 3.5Å; L222-Y242 WeakPolarHBondContact CD1-O 3.26Å
223N49Very low45.1Very low76 Ų7670.7 Ų70.741%0.40638%0.382SS..Hα-helixtrans-58-41.9177.5-79.1-34.3000112.4N219 Q227 Q247N219-N223 VanDerWaalsContact O-CB 3.28Å; N219-N223 WeakPolarHBondContact O-CB 3.36Å; N219-N223 VanDerWaalsContact O-CG 3.32Å; N219-N223 PolarHBondContact O-N 2.89Å; N219-N223 PolarHBondContact O-ND2 2.82Å; N219-N223 VanDerWaalsContact O-ND2 3.14Å; N223-Q227 VanDerWaalsContact O-CB 3.3Å; N223-Q227 WeakPolarHBondContact O-CB 3.46Å; N223-Q227 WeakPolarHBondContact O-CG 3.41Å; N223-Q227 PolarHBondContact O-N 3.08Å; N223-Q247 PolarHBondContact OD1-NE2 3.41Å
224A44.6Very low45.5Very low59 Ų5970.4 Ų70.449%0.48838%0.384SS..Hα-helixtrans-65.2-38.7175.800000112.6L220 L222 A228L220-A224 VanDerWaalsContact O-CB 3.32Å; L220-A224 WeakPolarHBondContact O-CB 3.43Å; L220-A224 PolarHBondContact O-N 3Å; L222-A224 VanDerWaalsContact C-N 3.31Å; L222-A224 PolarHBondContact O-N 3.45Å; A224-A228 VanDerWaalsContact O-CB 3.28Å; A224-A228 WeakPolarHBondContact O-CB 3.4Å; A224-A228 PolarHBondContact O-N 3.09Å
225S46.8Very low46Very low20 Ų2073.2 Ų73.214%0.1440%0.399CS..Hα-helixtrans-72.5-43.6178.8-57.50000112.1Y221 L222 A228 Y229Y221-S225 VanDerWaalsContact O-CB 3.28Å; Y221-S225 WeakPolarHBondContact O-CB 3.39Å; Y221-S225 PolarHBondContact O-N 3.18Å; Y221-S225 PolarHBondContact O-OG 3.45Å; L222-S225 PolarHBondContact O-N 2.91Å; L222-S225 VanDerWaalsContact O-N 3.09Å; S225-A228 PolarHBondContact O-N 3.43Å; S225-Y229 WeakPolarHBondContact O-CB 3.42Å; S225-Y229 PolarHBondContact O-N 2.91Å
226C50.8Low46.7Very low7 Ų772.6 Ų72.65%0.04739%0.388CS..Hα-helixtrans-62.9-44.1174.7-630000110.9L222 A228 Y229 L230 F251L222-C226 WeakPolarHBondContact O-CB 3.28Å; L222-C226 PolarHBondContact O-N 2.92Å; L222-C226 PolarHBondContact O-SG 3.29Å; C226-A228 PolarHBondContact O-N 3.13Å; C226-Y229 PolarHBondContact O-N 3.04Å; C226-L230 WeakPolarHBondContact O-CB 3.29Å; C226-L230 VanDerWaalsContact O-CG 3.25Å; C226-L230 WeakPolarHBondContact O-CG 3.45Å; C226-L230 PolarHBondContact O-N 3.48Å; C226-F251 HydrophobicContact CB-CE2 4.03Å; C226-F251 HydrophobicContact CB-CZ 3.74Å
227Q49.8Very low47.2Very low131 Ų13167.8 Ų67.861%0.61237%0.366SS*.Hα-helixtrans-64-38.1172.1-77.5-169.4-1500112.3N223 Y229 N231N223-Q227 VanDerWaalsContact O-CB 3.3Å; N223-Q227 WeakPolarHBondContact O-CB 3.46Å; N223-Q227 WeakPolarHBondContact O-CG 3.41Å; N223-Q227 PolarHBondContact O-N 3.08Å; Q227-Y229 VanDerWaalsContact C-N 3.35Å; Q227-N231 VanDerWaalsContact O-CB 3.24Å; Q227-N231 WeakPolarHBondContact O-CB 3.37Å; Q227-N231 PolarHBondContact O-N 3.04Å; Q227-N231 VanDerWaalsContact O-N 3.08Å; Q227-N231 PolarHBondContact O-ND2 3.29Å
228A49Very low47.4Very low25 Ų2576.9 Ų76.921%0.20740%0.396CS..Hα-helixtrans-63.4-41.1175.900000111.9A224 S225 C226 N231 N232 K233 A234A224-A228 VanDerWaalsContact O-CB 3.28Å; A224-A228 WeakPolarHBondContact O-CB 3.4Å; A224-A228 PolarHBondContact O-N 3.09Å; S225-A228 PolarHBondContact O-N 3.43Å; C226-A228 PolarHBondContact O-N 3.13Å; A228-N231 PolarHBondContact O-N 2.97Å; A228-N232 PolarHBondContact O-N 2.82Å; A228-K233 HydrophobicContact CB-CB 4.48Å; A228-K233 WeakPolarHBondContact O-CA 3.15Å; A228-K233 WeakPolarHBondContact O-CB 3.19Å; A228-K233 PolarHBondContact O-N 3.06Å; A228-A234 HydrophobicContact CB-CB 3.85Å; A228-A234 PolarHBondContact O-N 2.8Å
229Y49.2Very low47.3Very low21 Ų2177 Ų778%0.08240%0.402CS..Hα-helixtrans-67.4-52175.2177.7-100.4000112.6S225 C226 Q227 N231 N232 A234 F236 F251 S261 D262 M263S225-Y229 WeakPolarHBondContact O-CB 3.42Å; S225-Y229 PolarHBondContact O-N 2.91Å; C226-Y229 PolarHBondContact O-N 3.04Å; Q227-Y229 VanDerWaalsContact C-N 3.35Å; Y229-N231 PolarHBondContact O-N 3.28Å; Y229-N232 PolarHBondContact O-N 3.38Å; Y229-A234 WeakPolarHBondContact CA-O 3.48Å; Y229-F236 HydrophobicContact CD1-CD2 4.1Å; Y229-F236 HydrophobicContact CD2-CB 3.8Å; Y229-F236 HydrophobicContact CD2-CD2 4.34Å; Y229-F236 HydrophobicContact CE1-CD2 4.28Å; Y229-F236 HydrophobicContact CE2-CB 3.77Å; Y229-F236 HydrophobicContact CG-CB 4.36Å; Y229-F236 HydrophobicContact CG-CD2 4.07Å; Y229-F251 AromaticContact CD1-CE1 3.66Å; Y229-F251 HydrophobicContact CD1-CE1 3.66Å; Y229-F251 HydrophobicContact CD1-CZ 4.49Å; Y229-F251 HydrophobicContact CE1-CD1 4.33Å; Y229-F251 AromaticContact CE1-CE1 3.81Å; Y229-F251 HydrophobicContact CE1-CE1 3.81Å; Y229-S261 WeakPolarHBondContact OH-CB 3.37Å; Y229-S261 PolarHBondContact OH-OG 3Å; Y229-D262 HydrophobicContact CE2-CB 4.16Å; Y229-D262 PolarHBondContact OH-N 3.14Å; Y229-M263 PolarHBondContact OH-N 3.03Å
230L48.8Very low47.1Very low71 Ų7178.2 Ų78.237%0.37241%0.412SS..Hα-helixtrans-60.6-15.8177-68.6169.1000113.6C226 F251 P254C226-L230 WeakPolarHBondContact O-CB 3.29Å; C226-L230 VanDerWaalsContact O-CG 3.25Å; C226-L230 WeakPolarHBondContact O-CG 3.45Å; C226-L230 PolarHBondContact O-N 3.48Å; L230-F251 HydrophobicContact CD2-CE1 4.39Å; L230-F251 HydrophobicContact CG-CE1 4.5Å; L230-P254 HydrophobicContact CD2-CG 4.4Å
231N52.9Low47Very low87 Ų8774.3 Ų74.347%0.46539%0.392SS..THydrogen-bonded Turntrans-100.46.3173.7-81.8-105.7000114Q227 A228 Y229 K233Q227-N231 VanDerWaalsContact O-CB 3.24Å; Q227-N231 WeakPolarHBondContact O-CB 3.37Å; Q227-N231 PolarHBondContact O-N 3.04Å; Q227-N231 VanDerWaalsContact O-N 3.08Å; Q227-N231 PolarHBondContact O-ND2 3.29Å; A228-N231 PolarHBondContact O-N 2.97Å; Y229-N231 PolarHBondContact O-N 3.28Å; N231-K233 VanDerWaalsContact C-N 3.26Å; N231-K233 HydrophobicContact CB-CD 3.66Å; N231-K233 HydrophobicContact CB-CG 4.03Å; N231-K233 PolarHBondContact O-N 3.14Å; N231-K233 PolarHBondContact OD1-NZ 3.44Å
232N52.5Low47Very low159 Ų15973.5 Ų73.585%0.8539%0.389SS*.THydrogen-bonded Turntrans52.438-171.7-72.6-16.3000114.1A228 Y229A228-N232 PolarHBondContact O-N 2.82Å; Y229-N232 PolarHBondContact O-N 3.38Å
233K42.7Very low46.8Very low155 Ų15574.2 Ų74.267%0.67439%0.392SS*.SBendtrans-105.5-17-179.8-69.6166.1-173.1155.80113.8A228 N231A228-K233 HydrophobicContact CB-CB 4.48Å; A228-K233 WeakPolarHBondContact O-CA 3.15Å; A228-K233 WeakPolarHBondContact O-CB 3.19Å; A228-K233 PolarHBondContact O-N 3.06Å; N231-K233 VanDerWaalsContact C-N 3.26Å; N231-K233 HydrophobicContact CB-CD 3.66Å; N231-K233 HydrophobicContact CB-CG 4.03Å; N231-K233 PolarHBondContact O-N 3.14Å; N231-K233 PolarHBondContact OD1-NZ 3.44Å
234A44.2Very low46.5Very low44 Ų4473 Ų7336%0.36439%0.39SS..SBendtrans-154.8151.3173.400000110.5A228 Y229A228-A234 HydrophobicContact CB-CB 3.85Å; A228-A234 PolarHBondContact O-N 2.8Å; Y229-A234 WeakPolarHBondContact CA-O 3.48Å
235P45.7Very low46.5Very low103 Ų10373.9 Ų73.967%0.66938%0.383SS*.PPolyproline II helixtrans-66.8160.9168.931.1-36.2000111.2
236F52.1Low46.4Very low15 Ų1576.9 Ų76.97%0.06640%0.404CS..PPolyproline II helixtrans-63.3146.8178.3-163.5-100000111.9Y229 R238 V241 M243 F251 M263 L277Y229-F236 HydrophobicContact CD1-CD2 4.1Å; Y229-F236 HydrophobicContact CD2-CB 3.8Å; Y229-F236 HydrophobicContact CD2-CD2 4.34Å; Y229-F236 HydrophobicContact CE1-CD2 4.28Å; Y229-F236 HydrophobicContact CE2-CB 3.77Å; Y229-F236 HydrophobicContact CG-CB 4.36Å; Y229-F236 HydrophobicContact CG-CD2 4.07Å; F236-R238 PolarHBondContact O-N 3.39Å; F236-V241 HydrophobicContact CD1-CG2 4.39Å; F236-V241 HydrophobicContact CE1-CB 4.13Å; F236-V241 HydrophobicContact CE1-CG1 4.37Å; F236-V241 HydrophobicContact CE1-CG2 3.5Å; F236-V241 HydrophobicContact CZ-CB 4.14Å; F236-V241 HydrophobicContact CZ-CG1 3.89Å; F236-V241 HydrophobicContact CZ-CG2 3.87Å; F236-M243 HydrophobicContact CZ-SD 4.49Å; F236-F251 HydrophobicContact CD2-CE1 4.18Å; F236-F251 HydrophobicContact CD2-CZ 4.31Å; F236-F251 AromaticContact CE2-CE1 3.75Å; F236-F251 HydrophobicContact CE2-CE1 3.75Å; F236-F251 HydrophobicContact CE2-CE2 4.32Å; F236-F251 AromaticContact CE2-CZ 3.59Å; F236-F251 HydrophobicContact CE2-CZ 3.59Å; F236-M263 HydrophobicContact CD1-CG 4.41Å; F236-M263 HydrophobicContact CD2-CG 4.23Å; F236-M263 HydrophobicContact CD2-SD 3.9Å; F236-M263 HydrophobicContact CE1-CE 3.91Å; F236-M263 HydrophobicContact CE1-CG 4.48Å; F236-M263 HydrophobicContact CE1-SD 4.2Å; F236-M263 HydrophobicContact CE2-CE 4.04Å; F236-M263 HydrophobicContact CE2-CG 4.33Å; F236-M263 HydrophobicContact CE2-SD 3.47Å; F236-M263 WeakPolarHBondContact CE2-SD 3.13Å; F236-M263 HydrophobicContact CG-CG 4.26Å; F236-M263 HydrophobicContact CG-SD 4.44Å; F236-M263 HydrophobicContact CZ-CE 3.52Å; F236-M263 HydrophobicContact CZ-CG 4.43Å; F236-M263 HydrophobicContact CZ-SD 3.62Å; F236-L277 HydrophobicContact CD1-CD1 3.43Å; F236-L277 VanDerWaalsContact CD1-CD1 3.43Å; F236-L277 HydrophobicContact CD1-CD2 4.28Å; F236-L277 HydrophobicContact CE1-CD1 3.71Å; F236-L277 HydrophobicContact CE1-CD2 4.29Å; F236-L277 HydrophobicContact CG-CD1 4.27Å
237P48.5Very low46.3Very low14 Ų1477 Ų779%0.09140%0.404CS..PPolyproline II helixtrans-62120.9178.6-23.834.9000112.8S239 V241P237-S239 PolarHBondContact O-N 3Å; P237-V241 HydrophobicContact CB-CG2 4.07Å
238R43.4Very low46.3Very low254 Ų25471.5 Ų71.596%0.95838%0.378SS*.SBendtrans-74.925.4173.9-63.4-174.6174.9-170.7-4114.2F236F236-R238 PolarHBondContact O-N 3.39Å
239S42.2Very low46.4Very low68 Ų6876.3 Ų76.348%0.47640%0.395SS..SBendtrans-132.9134.1-176.156.30000108.2P237 V241P237-S239 PolarHBondContact O-N 3Å; S239-V241 WeakPolarHBondContact O-CG2 3.22Å; S239-V241 PolarHBondContact O-N 3.46Å; S239-V241 VanDerWaalsContact O-N 3.16Å
240T41.2Very low46.6Very low101 Ų10180.6 Ų80.662%0.6242%0.415SS*.  trans-34.9113.4-173.8-42.50000113.5
241V40.7Very low46.7Very low23 Ų2377.7 Ų77.714%0.13940%0.4CS..  trans-103103.8-169.9-176.10000110.4L222 F236 P237 S239 M243L222-V241 HydrophobicContact CD2-CB 4.44Å; L222-V241 HydrophobicContact CD2-CG1 3.5Å; L222-V241 VanDerWaalsContact CD2-CG1 3.5Å; F236-V241 HydrophobicContact CD1-CG2 4.39Å; F236-V241 HydrophobicContact CE1-CB 4.13Å; F236-V241 HydrophobicContact CE1-CG1 4.37Å; F236-V241 HydrophobicContact CE1-CG2 3.5Å; F236-V241 HydrophobicContact CZ-CB 4.14Å; F236-V241 HydrophobicContact CZ-CG1 3.89Å; F236-V241 HydrophobicContact CZ-CG2 3.87Å; P237-V241 HydrophobicContact CB-CG2 4.07Å; S239-V241 WeakPolarHBondContact O-CG2 3.22Å; S239-V241 PolarHBondContact O-N 3.46Å; S239-V241 VanDerWaalsContact O-N 3.16Å; V241-M243 HydrophobicContact CG1-CG 3.65Å; V241-M243 HydrophobicContact CG1-SD 4.5Å; V241-M243 PolarHBondContact O-N 3.33Å
242Y42.3Very low46.6Very low104 Ų10474.1 Ų74.141%0.40838%0.381SS..  trans-73.993.7171.8-67.1-77.3000110.9L222L222-Y242 WeakPolarHBondContact CD1-O 3.26Å
243M46.3Very low46.5Very low21 Ų2175.2 Ų75.210%0.10337%0.373CS..  trans-88.3131.9177.2-62-170.1-69.300112F236 V241 Q247 L248 F251 M263 V279F236-M243 HydrophobicContact CZ-SD 4.49Å; V241-M243 HydrophobicContact CG1-CG 3.65Å; V241-M243 HydrophobicContact CG1-SD 4.5Å; V241-M243 PolarHBondContact O-N 3.33Å; M243-Q247 HydrophobicContact CB-CB 4.43Å; M243-L248 HydrophobicContact CE-CD1 4.01Å; M243-F251 HydrophobicContact SD-CD2 3.59Å; M243-F251 VanDerWaalsContact SD-CD2 3.59Å; M243-F251 HydrophobicContact SD-CE2 3.79Å; M243-F251 HydrophobicContact SD-CG 4.42Å; M243-M263 HydrophobicContact CE-CE 3.82Å; M243-M263 HydrophobicContact SD-CE 4.12Å; M243-V279 HydrophobicContact CE-CG1 4.29Å
244S43.8Very low46.7Very low52 Ų5269.5 Ų69.536%0.36435%0.352SS..  trans-67.3153.6162.568.20000110.8S246 Q247 L248S244-S246 PolarHBondContact O-N 3.44Å; S244-S246 VanDerWaalsContact O-N 3.12Å; S244-Q247 PolarHBondContact O-N 2.93Å; S244-Q247 VanDerWaalsContact OG-CD 3.28Å; S244-Q247 WeakPolarHBondContact OG-CG 3.46Å; S244-Q247 PolarHBondContact OG-N 3.15Å; S244-Q247 PolarHBondContact OG-OE1 3.48Å; S244-L248 PolarHBondContact O-N 3.19Å
245F42.8Very low46.8Very low77 Ų7768.5 Ų68.534%0.33834%0.341SS..Hα-helixtrans-56-30.8177.5179.4-96.9000113.1K249 S292F245-K249 WeakPolarHBondContact O-CB 3.38Å; F245-K249 PolarHBondContact O-N 3.26Å; F245-S292 VanDerWaalsContact CE2-OG 3.26Å; F245-S292 WeakPolarHBondContact CE2-OG 3.47Å; F245-S292 WeakPolarHBondContact CZ-OG 3.36Å
246S45.6Very low46.7Very low82 Ų8266.7 Ų66.757%0.57332%0.322SS*.Hα-helixtrans-68-40.7174.9-165.30000112.6S244 K249 E250S244-S246 PolarHBondContact O-N 3.44Å; S244-S246 VanDerWaalsContact O-N 3.12Å; S246-K249 PolarHBondContact O-N 3.23Å; S246-E250 PolarHBondContact O-N 2.9Å; S246-E250 VanDerWaalsContact O-N 3.15Å
247Q49Very low46.1Very low11 Ų1168.6 Ų68.65%0.05134%0.338CS..Hα-helixtrans-67.2-43.6174.4-70.4155.4-41.100110.5N223 M243 S244 K249 E250 F251N223-Q247 PolarHBondContact OD1-NE2 3.41Å; M243-Q247 HydrophobicContact CB-CB 4.43Å; S244-Q247 PolarHBondContact O-N 2.93Å; S244-Q247 VanDerWaalsContact OG-CD 3.28Å; S244-Q247 WeakPolarHBondContact OG-CG 3.46Å; S244-Q247 PolarHBondContact OG-N 3.15Å; S244-Q247 PolarHBondContact OG-OE1 3.48Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.13Å; Q247-E250 CarbonylContact O-C 3.06Å; Q247-E250 WeakPolarHBondContact O-CA 3.36Å; Q247-E250 WeakPolarHBondContact O-CB 3.48Å; Q247-E250 PolarHBondContact O-N 3.43Å; Q247-F251 WeakPolarHBondContact O-CD2 3.47Å; Q247-F251 PolarHBondContact O-N 3.49Å
248L49.7Very low45.6Very low15 Ų1570.7 Ų70.78%0.07936%0.361CS..Hα-helixtrans-56.8-41.5174.1-178.262.1000111.6M243 S244 E250 F251 V252 F289M243-L248 HydrophobicContact CE-CD1 4.01Å; S244-L248 PolarHBondContact O-N 3.19Å; L248-E250 VanDerWaalsContact C-N 3.27Å; L248-E250 PolarHBondContact O-N 3.3Å; L248-F251 PolarHBondContact O-N 3.43Å; L248-V252 HydrophobicContact CD1-CG2 4.03Å; L248-V252 HydrophobicContact CG-CG2 4.39Å; L248-V252 WeakPolarHBondContact O-CB 3.1Å; L248-V252 VanDerWaalsContact O-CG2 3.26Å; L248-V252 WeakPolarHBondContact O-CG2 3.45Å; L248-V252 PolarHBondContact O-N 2.66Å; L248-F289 HydrophobicContact CD2-CB 4.2Å; L248-F289 HydrophobicContact CD2-CD2 3.84Å; L248-F289 HydrophobicContact CD2-CG 4.18Å; L248-F289 HydrophobicContact CG-CD2 4.3Å
249K51Low45.8Very low125 Ų12563.1 Ų63.154%0.54334%0.339SS..Hα-helixtrans-63.8-29.5174-168.9173-177.1177.50112.9F245 S246 Q247F245-K249 WeakPolarHBondContact O-CB 3.38Å; F245-K249 PolarHBondContact O-N 3.26Å; S246-K249 PolarHBondContact O-N 3.23Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.13Å
250E53.1Low45.9Very low111 Ų11164.2 Ų64.252%0.51935%0.346SS..Hα-helixtrans-77-33.5171.9-70.5-169.3157.700113.2S246 Q247 L248 P254S246-E250 PolarHBondContact O-N 2.9Å; S246-E250 VanDerWaalsContact O-N 3.15Å; Q247-E250 CarbonylContact O-C 3.06Å; Q247-E250 WeakPolarHBondContact O-CA 3.36Å; Q247-E250 WeakPolarHBondContact O-CB 3.48Å; Q247-E250 PolarHBondContact O-N 3.43Å; L248-E250 VanDerWaalsContact C-N 3.27Å; L248-E250 PolarHBondContact O-N 3.3Å; E250-P254 WeakPolarHBondContact O-CD 3.27Å
251F51.7Low46.2Very low10 Ų1060.8 Ų60.84%0.04433%0.327CS..Hα-helixtrans-70.7-33.6173.7-80-73.4000113.8C226 Y229 L230 F236 M243 Q247 L248 R253 P254 M263C226-F251 HydrophobicContact CB-CE2 4.03Å; C226-F251 HydrophobicContact CB-CZ 3.74Å; Y229-F251 AromaticContact CD1-CE1 3.66Å; Y229-F251 HydrophobicContact CD1-CE1 3.66Å; Y229-F251 HydrophobicContact CD1-CZ 4.49Å; Y229-F251 HydrophobicContact CE1-CD1 4.33Å; Y229-F251 AromaticContact CE1-CE1 3.81Å; Y229-F251 HydrophobicContact CE1-CE1 3.81Å; L230-F251 HydrophobicContact CD2-CE1 4.39Å; L230-F251 HydrophobicContact CG-CE1 4.5Å; F236-F251 HydrophobicContact CD2-CE1 4.18Å; F236-F251 HydrophobicContact CD2-CZ 4.31Å; F236-F251 AromaticContact CE2-CE1 3.75Å; F236-F251 HydrophobicContact CE2-CE1 3.75Å; F236-F251 HydrophobicContact CE2-CE2 4.32Å; F236-F251 AromaticContact CE2-CZ 3.59Å; F236-F251 HydrophobicContact CE2-CZ 3.59Å; M243-F251 HydrophobicContact SD-CD2 3.59Å; M243-F251 VanDerWaalsContact SD-CD2 3.59Å; M243-F251 HydrophobicContact SD-CE2 3.79Å; M243-F251 HydrophobicContact SD-CG 4.42Å; Q247-F251 WeakPolarHBondContact O-CD2 3.47Å; Q247-F251 PolarHBondContact O-N 3.49Å; L248-F251 PolarHBondContact O-N 3.43Å; F251-R253 VanDerWaalsContact C-N 3.28Å; F251-R253 PolarHBondContact O-N 3.19Å; F251-P254 WeakPolarHBondContact O-CD 3.2Å; F251-M263 HydrophobicContact CD1-SD 3.44Å; F251-M263 WeakPolarHBondContact CD1-SD 3.4Å; F251-M263 HydrophobicContact CE1-SD 3.7Å; F251-M263 HydrophobicContact CG-SD 3.96Å; F251-M263 HydrophobicContact CZ-SD 4.44Å
252V50.6Low46.6Very low12 Ų1264.7 Ų64.77%0.07335%0.347CS..Hα-helixtrans-82.1-8.8-179.2178.30000111.9L248 L255 F256 F289 L293L248-V252 HydrophobicContact CD1-CG2 4.03Å; L248-V252 HydrophobicContact CG-CG2 4.39Å; L248-V252 WeakPolarHBondContact O-CB 3.1Å; L248-V252 VanDerWaalsContact O-CG2 3.26Å; L248-V252 WeakPolarHBondContact O-CG2 3.45Å; L248-V252 PolarHBondContact O-N 2.66Å; V252-L255 HydrophobicContact CG1-CD1 4.44Å; V252-L255 WeakPolarHBondContact O-CB 3.41Å; V252-F256 HydrophobicContact CG1-CD2 4.29Å; V252-F256 HydrophobicContact CG1-CE2 3.71Å; V252-F256 HydrophobicContact CG1-CZ 4.19Å; V252-F256 WeakPolarHBondContact O-CD2 3.41Å; V252-F256 PolarHBondContact O-N 3.3Å; V252-F289 HydrophobicContact CG1-CE2 4.22Å; V252-F289 HydrophobicContact CG2-CE2 3.76Å; V252-F289 HydrophobicContact CG2-CZ 4.18Å; V252-L293 HydrophobicContact CG1-CD1 4.5Å
253R49.9Very low46.9Very low183 Ų18359.8 Ų59.869%0.69133%0.328SS*.Hα-helixtrans-76.7-44.6178.4-157.6179.2-159.31656.1113.6F251 L255 F256 S257F251-R253 VanDerWaalsContact C-N 3.28Å; F251-R253 PolarHBondContact O-N 3.19Å; R253-L255 VanDerWaalsContact C-N 3.28Å; R253-L255 PolarHBondContact O-N 2.89Å; R253-F256 PolarHBondContact O-N 2.82Å; R253-S257 PolarHBondContact O-OG 2.96Å
254P46.6Very low47.1Very low35 Ų3559 Ų5923%0.22732%0.324CS..Hα-helixtrans-56.6-36.2167.5-29.136000114.3L230 E250 F251 F256 S257 G258 I259L230-P254 HydrophobicContact CD2-CG 4.4Å; E250-P254 WeakPolarHBondContact O-CD 3.27Å; F251-P254 WeakPolarHBondContact O-CD 3.2Å; P254-F256 VanDerWaalsContact C-N 3.34Å; P254-F256 PolarHBondContact O-N 2.66Å; P254-S257 WeakPolarHBondContact CA-OG 3.49Å; P254-S257 CarbonylContact O-C 3.56Å; P254-S257 WeakPolarHBondContact O-CA 3.11Å; P254-S257 PolarHBondContact O-N 3.33Å; P254-S257 PolarHBondContact O-OG 3Å; P254-G258 PolarHBondContact O-N 3.28Å; P254-I259 HydrophobicContact CB-CB 4.06Å; P254-I259 HydrophobicContact CB-CD1 4.2Å; P254-I259 HydrophobicContact CB-CG2 4.46Å; P254-I259 PolarHBondContact O-N 3.07Å; P254-I259 VanDerWaalsContact O-N 3.13Å
255L46Very low47.1Very low23 Ų2359.5 Ų59.512%0.1233%0.325CS..Hα-helixtrans-55.2-48174.9-102.6177.6000111.9V252 R253 S257 G258 F264 F273V252-L255 HydrophobicContact CG1-CD1 4.44Å; V252-L255 WeakPolarHBondContact O-CB 3.41Å; R253-L255 VanDerWaalsContact C-N 3.28Å; R253-L255 PolarHBondContact O-N 2.89Å; L255-S257 PolarHBondContact O-N 3.2Å; L255-G258 PolarHBondContact O-N 3.24Å; L255-G258 VanDerWaalsContact O-N 3.07Å; L255-F264 HydrophobicContact CD1-CB 4.37Å; L255-F264 HydrophobicContact CD1-CD1 3.79Å; L255-F264 HydrophobicContact CD1-CD2 3.55Å; L255-F264 HydrophobicContact CD1-CE1 3.83Å; L255-F264 HydrophobicContact CD1-CE2 3.62Å; L255-F264 HydrophobicContact CD1-CG 3.64Å; L255-F264 HydrophobicContact CD1-CZ 3.76Å; L255-F264 HydrophobicContact CD2-CB 3.77Å; L255-F264 HydrophobicContact CD2-CD1 4.43Å; L255-F264 HydrophobicContact CD2-CD2 4.39Å; L255-F264 HydrophobicContact CD2-CG 3.97Å; L255-F264 HydrophobicContact CG-CB 4.21Å; L255-F264 HydrophobicContact CG-CD2 3.9Å; L255-F264 HydrophobicContact CG-CE2 4.4Å; L255-F264 HydrophobicContact CG-CG 3.97Å; L255-F273 HydrophobicContact CD2-CD1 3.45Å; L255-F273 VanDerWaalsContact CD2-CD1 3.45Å; L255-F273 HydrophobicContact CD2-CE1 3.48Å; L255-F273 VanDerWaalsContact CD2-CE1 3.48Å; L255-F273 HydrophobicContact CD2-CG 4.06Å; L255-F273 HydrophobicContact CD2-CZ 4.14Å
256F43.6Very low47.2Very low64 Ų6460.4 Ų60.428%0.28133%0.326SS..THydrogen-bonded Turntrans-67.7-12.5176.4-67.6-55.8000114V252 R253 P254 L293 F296V252-F256 HydrophobicContact CG1-CD2 4.29Å; V252-F256 HydrophobicContact CG1-CE2 3.71Å; V252-F256 HydrophobicContact CG1-CZ 4.19Å; V252-F256 WeakPolarHBondContact O-CD2 3.41Å; V252-F256 PolarHBondContact O-N 3.3Å; R253-F256 PolarHBondContact O-N 2.82Å; P254-F256 VanDerWaalsContact C-N 3.34Å; P254-F256 PolarHBondContact O-N 2.66Å; F256-L293 HydrophobicContact CZ-CD1 3.86Å; F256-F296 HydrophobicContact CE1-CE1 4.44Å; F256-F296 HydrophobicContact CE2-CD1 4.29Å; F256-F296 HydrophobicContact CE2-CE1 4.22Å; F256-F296 HydrophobicContact CZ-CD1 4.08Å; F256-F296 HydrophobicContact CZ-CE1 4.16Å
257S41.1Very low47.4Very low56 Ų5658.4 Ų58.439%0.39231%0.309SS..THydrogen-bonded Turntrans-99.713.817311.10000112.9R253 P254 L255 I259R253-S257 PolarHBondContact O-OG 2.96Å; P254-S257 WeakPolarHBondContact CA-OG 3.49Å; P254-S257 CarbonylContact O-C 3.56Å; P254-S257 WeakPolarHBondContact O-CA 3.11Å; P254-S257 PolarHBondContact O-N 3.33Å; P254-S257 PolarHBondContact O-OG 3Å; L255-S257 PolarHBondContact O-N 3.2Å; S257-I259 PolarHBondContact O-N 2.81Å
258G37.2Very low47.2Very low57 Ų5766 Ų6659%0.58835%0.345SS*.THydrogen-bonded Turntrans71.311.7176.600000114.7P254 L255 S260P254-G258 PolarHBondContact O-N 3.28Å; L255-G258 PolarHBondContact O-N 3.24Å; L255-G258 VanDerWaalsContact O-N 3.07Å; G258-S260 PolarHBondContact O-N 2.88Å
259I47.1Very low47.2Very low96 Ų9669.9 Ų69.949%0.49238%0.379SS..  trans-79.6102.6178.4-58.2174.3000108P254 S257P254-I259 HydrophobicContact CB-CB 4.06Å; P254-I259 HydrophobicContact CB-CD1 4.2Å; P254-I259 HydrophobicContact CB-CG2 4.46Å; P254-I259 PolarHBondContact O-N 3.07Å; P254-I259 VanDerWaalsContact O-N 3.13Å; S257-I259 PolarHBondContact O-N 2.81Å
260S45.1Very low47Very low90 Ų9070 Ų7063%0.62938%0.382SS*.  trans-61.1146.4167.160.30000110.1G258G258-S260 PolarHBondContact O-N 2.88Å
261S46.6Very low46.6Very low30 Ų3069.6 Ų69.621%0.2138%0.383CS..BIsolated β-bridgetrans-149.5159.5-174.688.30000110.4Y229 M263 F264Y229-S261 WeakPolarHBondContact OH-CB 3.37Å; Y229-S261 PolarHBondContact OH-OG 3Å; S261-M263 PolarHBondContact O-N 2.81Å; S261-M263 PolarHBondContact OG-N 2.92Å; S261-F264 PolarHBondContact N-O 3.49Å; S261-F264 CarbonylContact O-C 3.53Å; S261-F264 VanDerWaalsContact O-C 3.28Å; S261-F264 PolarHBondContact O-N 2.9Å
262D48.6Very low46.1Very low104 Ų10470.9 Ų70.956%0.55639%0.392SS*.THydrogen-bonded Turntrans-59.3-12.2177.4-56.9-15.9000113.5Y229Y229-D262 HydrophobicContact CE2-CB 4.16Å; Y229-D262 PolarHBondContact OH-N 3.14Å
263M48.7Very low45.7Very low2 Ų273.4 Ų73.41%0.0140%0.402CS..THydrogen-bonded Turntrans-90.4-20171.8-63.6-170.681.400114.1Y229 F236 M243 F251 S261 M275 D276 L277Y229-M263 PolarHBondContact OH-N 3.03Å; F236-M263 HydrophobicContact CD1-CG 4.41Å; F236-M263 HydrophobicContact CD2-CG 4.23Å; F236-M263 HydrophobicContact CD2-SD 3.9Å; F236-M263 HydrophobicContact CE1-CE 3.91Å; F236-M263 HydrophobicContact CE1-CG 4.48Å; F236-M263 HydrophobicContact CE1-SD 4.2Å; F236-M263 HydrophobicContact CE2-CE 4.04Å; F236-M263 HydrophobicContact CE2-CG 4.33Å; F236-M263 HydrophobicContact CE2-SD 3.47Å; F236-M263 WeakPolarHBondContact CE2-SD 3.13Å; F236-M263 HydrophobicContact CG-CG 4.26Å; F236-M263 HydrophobicContact CG-SD 4.44Å; F236-M263 HydrophobicContact CZ-CE 3.52Å; F236-M263 HydrophobicContact CZ-CG 4.43Å; F236-M263 HydrophobicContact CZ-SD 3.62Å; M243-M263 HydrophobicContact CE-CE 3.82Å; M243-M263 HydrophobicContact SD-CE 4.12Å; F251-M263 HydrophobicContact CD1-SD 3.44Å; F251-M263 WeakPolarHBondContact CD1-SD 3.4Å; F251-M263 HydrophobicContact CE1-SD 3.7Å; F251-M263 HydrophobicContact CG-SD 3.96Å; F251-M263 HydrophobicContact CZ-SD 4.44Å; S261-M263 PolarHBondContact O-N 2.81Å; S261-M263 PolarHBondContact OG-N 2.92Å; M263-M275 WeakPolarHBondContact O-CA 3.35Å; M263-M275 WeakPolarHBondContact O-CG 3.31Å; M263-D276 PolarHBondContact O-N 3.42Å; M263-L277 HydrophobicContact CB-CD1 4.36Å; M263-L277 HydrophobicContact CE-CD1 4.34Å; M263-L277 HydrophobicContact CG-CD1 3.7Å
264F50.8Low45.5Very low4 Ų468.1 Ų68.12%0.01839%0.386CS..BIsolated β-bridgetrans-147.7104-171-68-79000111.6L255 S261 F273 I274 M275 I423L255-F264 HydrophobicContact CD1-CB 4.37Å; L255-F264 HydrophobicContact CD1-CD1 3.79Å; L255-F264 HydrophobicContact CD1-CD2 3.55Å; L255-F264 HydrophobicContact CD1-CE1 3.83Å; L255-F264 HydrophobicContact CD1-CE2 3.62Å; L255-F264 HydrophobicContact CD1-CG 3.64Å; L255-F264 HydrophobicContact CD1-CZ 3.76Å; L255-F264 HydrophobicContact CD2-CB 3.77Å; L255-F264 HydrophobicContact CD2-CD1 4.43Å; L255-F264 HydrophobicContact CD2-CD2 4.39Å; L255-F264 HydrophobicContact CD2-CG 3.97Å; L255-F264 HydrophobicContact CG-CB 4.21Å; L255-F264 HydrophobicContact CG-CD2 3.9Å; L255-F264 HydrophobicContact CG-CE2 4.4Å; L255-F264 HydrophobicContact CG-CG 3.97Å; S261-F264 PolarHBondContact N-O 3.49Å; S261-F264 CarbonylContact O-C 3.53Å; S261-F264 VanDerWaalsContact O-C 3.28Å; S261-F264 PolarHBondContact O-N 2.9Å; F264-F273 HydrophobicContact CB-CD1 4.41Å; F264-I274 CarbonylContact C-O 3.58Å; F264-I274 WeakPolarHBondContact CA-O 3.35Å; F264-M275 HydrophobicContact CD1-CB 4.27Å; F264-M275 HydrophobicContact CD1-CG 4.2Å; F264-M275 HydrophobicContact CE1-CB 4.11Å; F264-M275 HydrophobicContact CE1-CE 3.82Å; F264-M275 HydrophobicContact CE1-CG 3.81Å; F264-M275 HydrophobicContact CE1-SD 4.38Å; F264-M275 HydrophobicContact CZ-CE 4.08Å; F264-M275 HydrophobicContact CZ-CG 4.17Å; F264-M275 HydrophobicContact CZ-SD 4.4Å; F264-I423 HydrophobicContact CE1-CD1 4.34Å
265V44.4Very low45.7Very low63 Ų6369.7 Ų69.738%0.38239%0.391SS..EExtended strand (participates in β ladder)trans-92.3124.7176.1-1780000108.8F273 I274 D276V265-F273 WeakPolarHBondContact O-CA 3.11Å; V265-I274 PolarHBondContact N-O 3.06Å; V265-I274 PolarHBondContact O-N 3.31Å; V265-D276 HydrophobicContact CG2-CB 4.33Å
266Y44.9Very low45.5Very low95 Ų9574 Ų7437%0.37342%0.415SS..EExtended strand (participates in β ladder)trans-81.9122.7173.3178.5-117.6000110E268 D271 F273Y266-E268 HydrophobicContact CD1-CG 3.87Å; Y266-E268 HydrophobicContact CE1-CB 4.47Å; Y266-E268 HydrophobicContact CE1-CG 3.75Å; Y266-D271 PolarHBondContact OH-OD1 2.83Å; Y266-F273 HydrophobicContact CD2-CD1 4.3Å; Y266-F273 HydrophobicContact CD2-CD2 4.12Å; Y266-F273 AromaticContact CD2-CE1 3.99Å; Y266-F273 HydrophobicContact CD2-CE1 3.99Å; Y266-F273 AromaticContact CD2-CE2 3.77Å; Y266-F273 HydrophobicContact CD2-CE2 3.77Å; Y266-F273 HydrophobicContact CD2-CG 4.38Å; Y266-F273 AromaticContact CD2-CZ 3.71Å; Y266-F273 HydrophobicContact CD2-CZ 3.71Å; Y266-F273 HydrophobicContact CE2-CE2 4.24Å; Y266-F273 HydrophobicContact CE2-CZ 4.44Å; Y266-F273 HydrophobicContact CG-CE1 4.22Å; Y266-F273 HydrophobicContact CG-CZ 4.25Å
267N49.5Very low45.6Very low40 Ų4073.2 Ų73.221%0.21441%0.413CS..EExtended strand (participates in β ladder)trans-95.993.3178.2-175.15.8000110.1A269 E270 D271 T272 I274N267-A269 PolarHBondContact O-N 2.98Å; N267-A269 PolarHBondContact OD1-N 3.03Å; N267-E270 HydrophobicContact CB-CB 4.48Å; N267-E270 VanDerWaalsContact ND2-CG 3.32Å; N267-E270 WeakPolarHBondContact ND2-CG 3.26Å; N267-E270 PolarHBondContact ND2-OE2 2.64Å; N267-E270 PolarHBondContact O-N 3.03Å; N267-D271 PolarHBondContact O-N 2.94Å; N267-T272 PolarHBondContact N-O 3.47Å; N267-I274 HydrophobicContact CB-CD1 3.98Å; N267-I274 HydrophobicContact CB-CG1 4.35Å
268E44.5Very low45.5Very low171 Ų17178.2 Ų78.280%0.79943%0.43SS*.THydrogen-bonded Turntrans-55.2-23179.1-63.4-171.9152.500114.1Y266Y266-E268 HydrophobicContact CD1-CG 3.87Å; Y266-E268 HydrophobicContact CE1-CB 4.47Å; Y266-E268 HydrophobicContact CE1-CG 3.75Å
269A51.3Low45.7Very low96 Ų9677.4 Ų77.479%0.79341%0.414SS*.THydrogen-bonded Turntrans-82-16.8-179.700000113.9N267N267-A269 PolarHBondContact O-N 2.98Å; N267-A269 PolarHBondContact OD1-N 3.03Å
270E45Very low45.1Very low129 Ų12977.4 Ų77.460%0.60342%0.422SS*.THydrogen-bonded Turntrans-122.5-11.3-177.2-69.4178.3174.400113.7N267 T272N267-E270 HydrophobicContact CB-CB 4.48Å; N267-E270 VanDerWaalsContact ND2-CG 3.32Å; N267-E270 WeakPolarHBondContact ND2-CG 3.26Å; N267-E270 PolarHBondContact ND2-OE2 2.64Å; N267-E270 PolarHBondContact O-N 3.03Å; E270-T272 VanDerWaalsContact C-N 3.26Å; E270-T272 HydrophobicContact CB-CG2 3.9Å; E270-T272 WeakPolarHBondContact CB-OG1 3.48Å; E270-T272 PolarHBondContact O-N 3.03Å; E270-T272 PolarHBondContact OE2-OG1 2.67Å; E270-T272 VanDerWaalsContact OE2-OG1 3.11Å
271D45Very low44.8Very low102 Ų10275.4 Ų75.455%0.54540%0.404SS..THydrogen-bonded Turntrans5738.9-168.5-1595.9000112.1Y266 N267Y266-D271 PolarHBondContact OH-OD1 2.83Å; N267-D271 PolarHBondContact O-N 2.94Å
272T41.1Very low44.2Very low37 Ų3778.3 Ų78.323%0.22742%0.418CS..EExtended strand (participates in β ladder)trans-119.1152.4-178.4590000111.9N267 E270N267-T272 PolarHBondContact N-O 3.47Å; E270-T272 VanDerWaalsContact C-N 3.26Å; E270-T272 HydrophobicContact CB-CG2 3.9Å; E270-T272 WeakPolarHBondContact CB-OG1 3.48Å; E270-T272 PolarHBondContact O-N 3.03Å; E270-T272 PolarHBondContact OE2-OG1 2.67Å; E270-T272 VanDerWaalsContact OE2-OG1 3.11Å
273F42.7Very low43.2Very low65 Ų6575.9 Ų75.929%0.28542%0.417SS..EExtended strand (participates in β ladder)trans-101.5118.5165-75.3-90.7000109.4L255 F264 V265 Y266L255-F273 HydrophobicContact CD2-CD1 3.45Å; L255-F273 VanDerWaalsContact CD2-CD1 3.45Å; L255-F273 HydrophobicContact CD2-CE1 3.48Å; L255-F273 VanDerWaalsContact CD2-CE1 3.48Å; L255-F273 HydrophobicContact CD2-CG 4.06Å; L255-F273 HydrophobicContact CD2-CZ 4.14Å; F264-F273 HydrophobicContact CB-CD1 4.41Å; V265-F273 WeakPolarHBondContact O-CA 3.11Å; Y266-F273 HydrophobicContact CD2-CD1 4.3Å; Y266-F273 HydrophobicContact CD2-CD2 4.12Å; Y266-F273 AromaticContact CD2-CE1 3.99Å; Y266-F273 HydrophobicContact CD2-CE1 3.99Å; Y266-F273 AromaticContact CD2-CE2 3.77Å; Y266-F273 HydrophobicContact CD2-CE2 3.77Å; Y266-F273 HydrophobicContact CD2-CG 4.38Å; Y266-F273 AromaticContact CD2-CZ 3.71Å; Y266-F273 HydrophobicContact CD2-CZ 3.71Å; Y266-F273 HydrophobicContact CE2-CE2 4.24Å; Y266-F273 HydrophobicContact CE2-CZ 4.44Å; Y266-F273 HydrophobicContact CG-CE1 4.22Å; Y266-F273 HydrophobicContact CG-CZ 4.25Å
274I45.3Very low42.4Very low71 Ų7181.5 Ų81.536%0.36445%0.445SS..EExtended strand (participates in β ladder)trans-90.3131.8175.6-58.9175.6000108.3F264 V265 N267F264-I274 CarbonylContact C-O 3.58Å; F264-I274 WeakPolarHBondContact CA-O 3.35Å; V265-I274 PolarHBondContact N-O 3.06Å; V265-I274 PolarHBondContact O-N 3.31Å; N267-I274 HydrophobicContact CB-CD1 3.98Å; N267-I274 HydrophobicContact CB-CG1 4.35Å
275M50.6Low41.6Very low69 Ų6982.4 Ų82.434%0.3445%0.45SS..  trans-94.7101.1176.3-162.9-169.6-48.900109.5M263 F264 L277 V279M263-M275 WeakPolarHBondContact O-CA 3.35Å; M263-M275 WeakPolarHBondContact O-CG 3.31Å; F264-M275 HydrophobicContact CD1-CB 4.27Å; F264-M275 HydrophobicContact CD1-CG 4.2Å; F264-M275 HydrophobicContact CE1-CB 4.11Å; F264-M275 HydrophobicContact CE1-CE 3.82Å; F264-M275 HydrophobicContact CE1-CG 3.81Å; F264-M275 HydrophobicContact CE1-SD 4.38Å; F264-M275 HydrophobicContact CZ-CE 4.08Å; F264-M275 HydrophobicContact CZ-CG 4.17Å; F264-M275 HydrophobicContact CZ-SD 4.4Å; M275-L277 PolarHBondContact O-N 2.91Å; M275-V279 HydrophobicContact SD-CB 4.05Å; M275-V279 HydrophobicContact SD-CG2 3.54Å; M275-V279 VanDerWaalsContact SD-CG2 3.54Å
276D43Very low41.4Very low114 Ų11482.9 Ų82.961%0.6145%0.45SS*.  trans-74.812.1-173.6-102.723.5000114.3M263 V265M263-D276 PolarHBondContact O-N 3.42Å; V265-D276 HydrophobicContact CG2-CB 4.33Å
277L45.5Very low41.3Very low46 Ų4683.8 Ų83.824%0.24146%0.462CS..SBendtrans-124.3132.2-179.8-98.5147.9000110.7F236 M263 M275 V279F236-L277 HydrophobicContact CD1-CD1 3.43Å; F236-L277 VanDerWaalsContact CD1-CD1 3.43Å; F236-L277 HydrophobicContact CD1-CD2 4.28Å; F236-L277 HydrophobicContact CE1-CD1 3.71Å; F236-L277 HydrophobicContact CE1-CD2 4.29Å; F236-L277 HydrophobicContact CG-CD1 4.27Å; M263-L277 HydrophobicContact CB-CD1 4.36Å; M263-L277 HydrophobicContact CE-CD1 4.34Å; M263-L277 HydrophobicContact CG-CD1 3.7Å; M275-L277 PolarHBondContact O-N 2.91Å; L277-V279 HydrophobicContact CB-CG2 4.15Å; L277-V279 PolarHBondContact O-N 3.31Å
278E39Very low40.7Very low162 Ų16283.6 Ų83.676%0.75747%0.465SS*.  trans-68.776.9170-68.9175.3159.700110.2S280E278-S280 PolarHBondContact O-N 3.28Å; E278-S280 VanDerWaalsContact O-N 3.12Å
279V40.4Very low40.6Very low40 Ų4076.3 Ų76.324%0.24243%0.431CS..  trans-80.292.8173.4-1700000108.3M243 M275 L277 L281M243-V279 HydrophobicContact CE-CG1 4.29Å; M275-V279 HydrophobicContact SD-CB 4.05Å; M275-V279 HydrophobicContact SD-CG2 3.54Å; M275-V279 VanDerWaalsContact SD-CG2 3.54Å; L277-V279 HydrophobicContact CB-CG2 4.15Å; L277-V279 PolarHBondContact O-N 3.31Å; V279-L281 HydrophobicContact CG1-CD2 3.66Å; V279-L281 HydrophobicContact CG1-CG 3.85Å; V279-L281 PolarHBondContact O-N 3.34Å
280S35.4Very low40.4Very low96 Ų9674.1 Ų74.167%0.67140%0.404SS*.  trans-61.398165.8-176.70000109.2E278E278-S280 PolarHBondContact O-N 3.28Å; E278-S280 VanDerWaalsContact O-N 3.12Å
281L39.2Very low40.5Very low47 Ų4771.2 Ų71.225%0.24640%0.398CS..  trans-96.9125.3169.1-62.9175.1000107.5V279 G283 M285 L286V279-L281 HydrophobicContact CG1-CD2 3.66Å; V279-L281 HydrophobicContact CG1-CG 3.85Å; V279-L281 PolarHBondContact O-N 3.34Å; L281-G283 PolarHBondContact O-N 3.22Å; L281-M285 HydrophobicContact CB-CB 4.1Å; L281-M285 HydrophobicContact CD2-CB 4.07Å; L281-M285 HydrophobicContact CD2-CE 4.49Å; L281-L286 HydrophobicContact CB-CB 4.41Å; L281-L286 HydrophobicContact CD1-CB 4.22Å; L281-L286 HydrophobicContact CD1-CD1 3.8Å
282D33Very low40.5Very low92 Ų9268.3 Ų68.349%0.49239%0.386SS..  trans-45.9139156.1-82.9-50.2000108.1F155 I284 M285 L286F155-D282 WeakPolarHBondContact CD1-OD2 3.36Å; F155-D282 HydrophobicContact CE1-CB 3.9Å; F155-D282 VanDerWaalsContact CE1-OD2 3.28Å; F155-D282 WeakPolarHBondContact CE1-OD2 3.2Å; D282-I284 PolarHBondContact O-N 3.48Å; D282-M285 HydrophobicContact CB-CG 4.45Å; D282-M285 WeakPolarHBondContact O-CA 3.21Å; D282-M285 WeakPolarHBondContact O-CB 3.17Å; D282-M285 PolarHBondContact O-N 2.93Å; D282-L286 PolarHBondContact O-N 3.24Å
283G28.6Very low40.9Very low52 Ų5268.2 Ų68.254%0.53638%0.384SS..Hα-helixtrans-53.1-32.9-176.200000113.6L281 M285 L286 D287L281-G283 PolarHBondContact O-N 3.22Å; G283-M285 VanDerWaalsContact C-N 3.29Å; G283-M285 PolarHBondContact O-N 3.37Å; G283-L286 PolarHBondContact O-N 2.95Å; G283-D287 PolarHBondContact O-N 3.2Å
284I30.5Very low41.3Very low120 Ų12069.4 Ų69.462%0.61539%0.386SS*.Hα-helixtrans-60.8-33.5174.1-56.4172.4000112.4F155 D282 A288F155-I284 HydrophobicContact CZ-CB 4.13Å; F155-I284 HydrophobicContact CZ-CG2 3.95Å; D282-I284 PolarHBondContact O-N 3.48Å; I284-A288 WeakPolarHBondContact O-CB 3.17Å; I284-A288 PolarHBondContact O-N 3.47Å
285M35.5Very low41.7Very low24 Ų2470.4 Ų70.412%0.11840%0.396CS..Hα-helixtrans-78.2-33.6176.4-75.9-80.7-75.400112.7F155 L281 D282 G283 A288 F289F155-M285 HydrophobicContact CD1-CG 4.49Å; F155-M285 HydrophobicContact CD2-CG 4.48Å; F155-M285 HydrophobicContact CD2-SD 4.15Å; F155-M285 HydrophobicContact CE1-CG 3.91Å; F155-M285 HydrophobicContact CE2-CG 3.89Å; F155-M285 HydrophobicContact CE2-SD 3.77Å; F155-M285 HydrophobicContact CZ-CG 3.58Å; F155-M285 HydrophobicContact CZ-SD 4.12Å; L281-M285 HydrophobicContact CB-CB 4.1Å; L281-M285 HydrophobicContact CD2-CB 4.07Å; L281-M285 HydrophobicContact CD2-CE 4.49Å; D282-M285 HydrophobicContact CB-CG 4.45Å; D282-M285 WeakPolarHBondContact O-CA 3.21Å; D282-M285 WeakPolarHBondContact O-CB 3.17Å; D282-M285 PolarHBondContact O-N 2.93Å; G283-M285 VanDerWaalsContact C-N 3.29Å; G283-M285 PolarHBondContact O-N 3.37Å; M285-A288 PolarHBondContact O-N 3.4Å; M285-F289 WeakPolarHBondContact O-CB 3.33Å; M285-F289 PolarHBondContact O-N 3.39Å
286L40.1Very low41.7Very low73 Ų7369.7 Ų69.738%0.38239%0.391SS..Hα-helixtrans-67.1-47.8171.1-171.975.2000110.3L281 D282 G283 A288 F289 E290L281-L286 HydrophobicContact CB-CB 4.41Å; L281-L286 HydrophobicContact CD1-CB 4.22Å; L281-L286 HydrophobicContact CD1-CD1 3.8Å; D282-L286 PolarHBondContact O-N 3.24Å; G283-L286 PolarHBondContact O-N 2.95Å; L286-A288 VanDerWaalsContact C-N 3.29Å; L286-A288 PolarHBondContact O-N 2.97Å; L286-F289 PolarHBondContact O-N 3.38Å; L286-F289 VanDerWaalsContact O-N 3.13Å; L286-E290 PolarHBondContact O-N 3.2Å
287D41.1Very low42.2Very low114 Ų11465.5 Ų65.561%0.6137%0.368SS*.Hα-helixtrans-55.4-43.8172.1-79.3-21.7000111.3G283 S291G283-D287 PolarHBondContact O-N 3.2Å; D287-S291 WeakPolarHBondContact O-CA 3.43Å; D287-S291 WeakPolarHBondContact O-CB 3.48Å; D287-S291 PolarHBondContact O-N 3.49Å
288A37.3Very low42.8Very low35 Ų3568 Ų6829%0.28938%0.378SS..Hα-helixtrans-68.1-35.2177.500000112.9I284 M285 L286 S292I284-A288 WeakPolarHBondContact O-CB 3.17Å; I284-A288 PolarHBondContact O-N 3.47Å; M285-A288 PolarHBondContact O-N 3.4Å; L286-A288 VanDerWaalsContact C-N 3.29Å; L286-A288 PolarHBondContact O-N 2.97Å; A288-S292 VanDerWaalsContact O-CB 3.22Å; A288-S292 WeakPolarHBondContact O-CB 3.35Å; A288-S292 PolarHBondContact O-N 3.35Å; A288-S292 PolarHBondContact O-OG 2.8Å
289F42.7Very low43.7Very low19 Ų1961.4 Ų61.48%0.08335%0.353CS..Hα-helixtrans-68.6-52.8175.8174.6-118.4000111.4L248 V252 M285 L286 S291 S292 L293 I423L248-F289 HydrophobicContact CD2-CB 4.2Å; L248-F289 HydrophobicContact CD2-CD2 3.84Å; L248-F289 HydrophobicContact CD2-CG 4.18Å; L248-F289 HydrophobicContact CG-CD2 4.3Å; V252-F289 HydrophobicContact CG1-CE2 4.22Å; V252-F289 HydrophobicContact CG2-CE2 3.76Å; V252-F289 HydrophobicContact CG2-CZ 4.18Å; M285-F289 WeakPolarHBondContact O-CB 3.33Å; M285-F289 PolarHBondContact O-N 3.39Å; L286-F289 PolarHBondContact O-N 3.38Å; L286-F289 VanDerWaalsContact O-N 3.13Å; F289-S291 VanDerWaalsContact C-N 3.34Å; F289-S291 PolarHBondContact O-N 3.42Å; F289-S292 PolarHBondContact O-N 3.16Å; F289-S292 VanDerWaalsContact O-N 3.12Å; F289-L293 HydrophobicContact CE2-CD1 4.3Å; F289-L293 HydrophobicContact CZ-CD1 4.07Å; F289-L293 PolarHBondContact O-N 3.5Å; F289-I423 HydrophobicContact CE1-CD1 4.19Å
290E48Very low44.5Very low50 Ų5060 Ų6023%0.23435%0.345CS..Hα-helixtrans-57.8-46.6174.1-83.4-144.1162.500111.2L286 S292 L293 R294 S424L286-E290 PolarHBondContact O-N 3.2Å; E290-S292 VanDerWaalsContact C-N 3.25Å; E290-S292 PolarHBondContact O-N 3.35Å; E290-L293 PolarHBondContact O-N 3.13Å; E290-R294 VanDerWaalsContact O-CB 3.22Å; E290-R294 WeakPolarHBondContact O-CB 3.35Å; E290-R294 WeakPolarHBondContact O-CD 3.05Å; E290-R294 WeakPolarHBondContact O-CG 3.2Å; E290-R294 PolarHBondContact O-N 3.39Å; E290-R294 IonicContact OE2-CZ 3.13Å; E290-R294 VanDerWaalsContact OE2-CZ 3.32Å; E290-R294 IonicContact OE2-NE 2.69Å; E290-R294 PolarHBondContact OE2-NE 2.89Å; E290-R294 VanDerWaalsContact OE2-NE 3.14Å; E290-R294 IonicContact OE2-NH2 2.74Å; E290-R294 PolarHBondContact OE2-NH2 3.05Å; E290-S424 PolarHBondContact OE1-OG 2.71Å
291S47Very low45.6Very low67 Ų6756.4 Ų56.447%0.46932%0.319SS..Hα-helixtrans-57.7-38.3176.7-178.60000111.9D287 F289 T295D287-S291 WeakPolarHBondContact O-CA 3.43Å; D287-S291 WeakPolarHBondContact O-CB 3.48Å; D287-S291 PolarHBondContact O-N 3.49Å; F289-S291 VanDerWaalsContact C-N 3.34Å; F289-S291 PolarHBondContact O-N 3.42Å; S291-T295 WeakPolarHBondContact O-CB 3.42Å; S291-T295 PolarHBondContact O-N 2.89Å; S291-T295 PolarHBondContact O-OG1 2.97Å
292S44.4Very low46.6Very low42 Ų4260.2 Ų60.229%0.29433%0.333SS..Hα-helixtrans-73.2-40.6178.3-61.80000112.9F245 A288 F289 E290 T295 F296F245-S292 VanDerWaalsContact CE2-OG 3.26Å; F245-S292 WeakPolarHBondContact CE2-OG 3.47Å; F245-S292 WeakPolarHBondContact CZ-OG 3.36Å; A288-S292 VanDerWaalsContact O-CB 3.22Å; A288-S292 WeakPolarHBondContact O-CB 3.35Å; A288-S292 PolarHBondContact O-N 3.35Å; A288-S292 PolarHBondContact O-OG 2.8Å; F289-S292 PolarHBondContact O-N 3.16Å; F289-S292 VanDerWaalsContact O-N 3.12Å; E290-S292 VanDerWaalsContact C-N 3.25Å; E290-S292 PolarHBondContact O-N 3.35Å; S292-T295 PolarHBondContact O-N 2.86Å; S292-F296 PolarHBondContact O-N 3.38Å
293L48.9Very low48Very low34 Ų3456.4 Ų56.418%0.17831%0.314CS..Hα-helixtrans-65.7-46.6175.2-164.3114.1000110.8V252 F256 F289 E290 T295 F296 L297V252-L293 HydrophobicContact CG1-CD1 4.5Å; F256-L293 HydrophobicContact CZ-CD1 3.86Å; F289-L293 HydrophobicContact CE2-CD1 4.3Å; F289-L293 HydrophobicContact CZ-CD1 4.07Å; F289-L293 PolarHBondContact O-N 3.5Å; E290-L293 PolarHBondContact O-N 3.13Å; L293-T295 VanDerWaalsContact C-N 3.28Å; L293-T295 PolarHBondContact O-N 3.18Å; L293-F296 PolarHBondContact O-N 3.4Å; L293-L297 HydrophobicContact CD2-CD1 3.82Å; L293-L297 HydrophobicContact CG-CD1 4.09Å; L293-L297 WeakPolarHBondContact O-CB 3.3Å; L293-L297 WeakPolarHBondContact O-CG 3.18Å; L293-L297 PolarHBondContact O-N 2.87Å
294R52.8Low49.5Very low90 Ų9054.3 Ų54.334%0.3429%0.29SS..Hα-helixtrans-58.2-37.6170.5-68.1167.7-171.4-107.315.1111.4E290 K298 V427E290-R294 VanDerWaalsContact O-CB 3.22Å; E290-R294 WeakPolarHBondContact O-CB 3.35Å; E290-R294 WeakPolarHBondContact O-CD 3.05Å; E290-R294 WeakPolarHBondContact O-CG 3.2Å; E290-R294 PolarHBondContact O-N 3.39Å; E290-R294 IonicContact OE2-CZ 3.13Å; E290-R294 VanDerWaalsContact OE2-CZ 3.32Å; E290-R294 IonicContact OE2-NE 2.69Å; E290-R294 PolarHBondContact OE2-NE 2.89Å; E290-R294 VanDerWaalsContact OE2-NE 3.14Å; E290-R294 IonicContact OE2-NH2 2.74Å; E290-R294 PolarHBondContact OE2-NH2 3.05Å; R294-K298 WeakPolarHBondContact O-CB 3.34Å; R294-K298 WeakPolarHBondContact O-CG 2.99Å; R294-K298 PolarHBondContact O-N 2.65Å; R294-V427 HydrophobicContact CG-CG2 3.94Å
295T52.8Low51Low92 Ų9250.9 Ų50.956%0.56427%0.271SS*.Hα-helixtrans-70.2-44.4178.3-650000112.1S291 S292 L293 K298 G299S291-T295 WeakPolarHBondContact O-CB 3.42Å; S291-T295 PolarHBondContact O-N 2.89Å; S291-T295 PolarHBondContact O-OG1 2.97Å; S292-T295 PolarHBondContact O-N 2.86Å; L293-T295 VanDerWaalsContact C-N 3.28Å; L293-T295 PolarHBondContact O-N 3.18Å; T295-K298 PolarHBondContact O-N 2.76Å; T295-G299 PolarHBondContact O-N 3.04Å
296F50.3Low52.2Low55 Ų5551 Ų5124%0.24127%0.273CS..Hα-helixtrans-61.2-47175.2175.5-108.3000111.4F256 S292 L293 K298 G299 A300 E319 F320F256-F296 HydrophobicContact CE1-CE1 4.44Å; F256-F296 HydrophobicContact CE2-CD1 4.29Å; F256-F296 HydrophobicContact CE2-CE1 4.22Å; F256-F296 HydrophobicContact CZ-CD1 4.08Å; F256-F296 HydrophobicContact CZ-CE1 4.16Å; S292-F296 PolarHBondContact O-N 3.38Å; L293-F296 PolarHBondContact O-N 3.4Å; F296-K298 PolarHBondContact O-N 2.91Å; F296-G299 CarbonylContact O-C 3.28Å; F296-G299 WeakPolarHBondContact O-CA 3.29Å; F296-G299 PolarHBondContact O-N 3.07Å; F296-A300 PolarHBondContact O-N 3.15Å; F296-E319 HydrophobicContact CE2-CB 4.23Å; F296-F320 HydrophobicContact CD2-CE1 4.47Å; F296-F320 AromaticContact CE2-CE1 3.77Å; F296-F320 HydrophobicContact CE2-CE1 3.77Å; F296-F320 HydrophobicContact CE2-CZ 4.15Å; F296-F320 AromaticContact CZ-CE1 3.8Å; F296-F320 HydrophobicContact CZ-CE1 3.8Å
297L53.7Low53.2Low25 Ų2547.6 Ų47.613%0.13125%0.254CS..Hα-helixtrans-70.4-31.5-179.8-65.1169.6000112.3L293 G299 A300 T301 V427 L431L293-L297 HydrophobicContact CD2-CD1 3.82Å; L293-L297 HydrophobicContact CG-CD1 4.09Å; L293-L297 WeakPolarHBondContact O-CB 3.3Å; L293-L297 WeakPolarHBondContact O-CG 3.18Å; L293-L297 PolarHBondContact O-N 2.87Å; L297-G299 VanDerWaalsContact C-N 3.34Å; L297-A300 WeakPolarHBondContact O-CB 3.49Å; L297-A300 PolarHBondContact O-N 2.68Å; L297-T301 PolarHBondContact O-N 3.35Å; L297-T301 PolarHBondContact O-OG1 3.42Å; L297-T301 VanDerWaalsContact O-OG1 3.13Å; L297-V427 HydrophobicContact CB-CG1 3.77Å; L297-V427 HydrophobicContact CD1-CB 4.06Å; L297-V427 HydrophobicContact CD1-CG1 3.49Å; L297-V427 VanDerWaalsContact CD1-CG1 3.49Å; L297-V427 HydrophobicContact CG-CG1 4.25Å; L297-L431 HydrophobicContact CD2-CD1 4.44Å
298K58.2Low54.1Low100 Ų10042.3 Ų42.344%0.43523%0.226SC..Hα-helixtrans-69.3-28.7166.9-75.6175.6-179.6-1730113.2R294 T295 F296 T301 K302R294-K298 WeakPolarHBondContact O-CB 3.34Å; R294-K298 WeakPolarHBondContact O-CG 2.99Å; R294-K298 PolarHBondContact O-N 2.65Å; T295-K298 PolarHBondContact O-N 2.76Å; F296-K298 PolarHBondContact O-N 2.91Å; K298-T301 WeakPolarHBondContact CA-OG1 3.46Å; K298-T301 PolarHBondContact O-OG1 2.78Å; K298-K302 WeakPolarHBondContact O-CB 3.23Å; K298-K302 PolarHBondContact O-N 2.84Å; K298-K302 VanDerWaalsContact O-N 3.1Å
299G57.4Low55.2Low23 Ų2342.4 Ų42.424%0.23722%0.222CC..Hα-helixtrans-65-45.5167.500000111.6T295 F296 L297 K302 T303T295-G299 PolarHBondContact O-N 3.04Å; F296-G299 CarbonylContact O-C 3.28Å; F296-G299 WeakPolarHBondContact O-CA 3.29Å; F296-G299 PolarHBondContact O-N 3.07Å; L297-G299 VanDerWaalsContact C-N 3.34Å; G299-K302 PolarHBondContact O-N 3.35Å; G299-T303 WeakPolarHBondContact O-CB 3.32Å; G299-T303 PolarHBondContact O-N 3.49Å; G299-T303 PolarHBondContact O-OG1 2.79Å
300A56.9Low56Low9 Ų946.4 Ų46.47%0.07424%0.241CC..Hα-helixtrans-63.1-52.2178.800000112.1F296 L297 K302 T303 L304 F320F296-A300 PolarHBondContact O-N 3.15Å; L297-A300 WeakPolarHBondContact O-CB 3.49Å; L297-A300 PolarHBondContact O-N 2.68Å; A300-K302 VanDerWaalsContact C-N 3.34Å; A300-K302 PolarHBondContact O-N 3.13Å; A300-T303 PolarHBondContact O-N 2.89Å; A300-L304 WeakPolarHBondContact O-CG 3.36Å; A300-L304 PolarHBondContact O-N 3.48Å; A300-F320 HydrophobicContact CB-CD1 4.19Å; A300-F320 HydrophobicContact CB-CE1 3.42Å; A300-F320 VanDerWaalsContact CB-CE1 3.42Å; A300-F320 HydrophobicContact CB-CZ 3.66Å
301T59.6Low56.3Low21 Ų2145.8 Ų45.813%0.12924%0.237CC..Hα-helixtrans-63.4-38.7178.352.60000111.9L297 K298 L304 E305 L431L297-T301 PolarHBondContact O-N 3.35Å; L297-T301 PolarHBondContact O-OG1 3.42Å; L297-T301 VanDerWaalsContact O-OG1 3.13Å; K298-T301 WeakPolarHBondContact CA-OG1 3.46Å; K298-T301 PolarHBondContact O-OG1 2.78Å; T301-L304 PolarHBondContact O-N 3.49Å; T301-E305 VanDerWaalsContact O-CB 3.24Å; T301-E305 WeakPolarHBondContact O-CB 3.47Å; T301-E305 PolarHBondContact O-N 2.83Å; T301-L431 HydrophobicContact CG2-CD2 3.52Å; T301-L431 HydrophobicContact CG2-CG 4.46Å
302K60.3Low57Low127 Ų12747.9 Ų47.955%0.55224%0.237SC*.Hα-helixtrans-67-37.1174.7-174.5175.7179.8-179.10113K298 G299 A300 E305 I306K298-K302 WeakPolarHBondContact O-CB 3.23Å; K298-K302 PolarHBondContact O-N 2.84Å; K298-K302 VanDerWaalsContact O-N 3.1Å; G299-K302 PolarHBondContact O-N 3.35Å; A300-K302 VanDerWaalsContact C-N 3.34Å; A300-K302 PolarHBondContact O-N 3.13Å; K302-E305 PolarHBondContact O-N 3.11Å; K302-I306 HydrophobicContact CG-CD1 4.08Å; K302-I306 VanDerWaalsContact O-CG1 3.27Å; K302-I306 WeakPolarHBondContact O-CG1 3.11Å; K302-I306 PolarHBondContact O-N 2.98Å
303T61.4Low57.7Low12 Ų1247.8 Ų47.87%0.07423%0.231CC..Hα-helixtrans-68.4-40.5176.8-57.70000110.7G299 A300 I306 A307 W313 Y314 D315 F320G299-T303 WeakPolarHBondContact O-CB 3.32Å; G299-T303 PolarHBondContact O-N 3.49Å; G299-T303 PolarHBondContact O-OG1 2.79Å; A300-T303 PolarHBondContact O-N 2.89Å; T303-I306 PolarHBondContact O-N 2.84Å; T303-A307 VanDerWaalsContact O-CB 3.31Å; T303-A307 WeakPolarHBondContact O-CB 3.32Å; T303-A307 PolarHBondContact O-N 3.49Å; T303-W313 HydrophobicContact CG2-CD2 4.37Å; T303-W313 HydrophobicContact CG2-CE3 4.17Å; T303-W313 HydrophobicContact CG2-CH2 3.69Å; T303-W313 HydrophobicContact CG2-CZ2 3.96Å; T303-W313 HydrophobicContact CG2-CZ3 3.82Å; T303-Y314 PolarHBondContact OG1-O 3.18Å; T303-D315 HydrophobicContact CG2-CB 4.34Å; T303-F320 HydrophobicContact CG2-CD2 4.1Å
304L61.1Low58.1Low9 Ų953 Ų535%0.04725%0.249CC..Hα-helixtrans-63.8-41.4170.2-72.1167.5000112.2A300 T301 A307 L308 I323 M371 F435A300-L304 WeakPolarHBondContact O-CG 3.36Å; A300-L304 PolarHBondContact O-N 3.48Å; T301-L304 PolarHBondContact O-N 3.49Å; L304-A307 WeakPolarHBondContact O-CB 3.21Å; L304-A307 PolarHBondContact O-N 3.32Å; L304-L308 WeakPolarHBondContact O-CB 3.08Å; L304-L308 WeakPolarHBondContact O-CD1 3.29Å; L304-L308 VanDerWaalsContact O-CG 3.25Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 3.31Å; L304-I323 HydrophobicContact CD2-CD1 3.78Å; L304-M371 HydrophobicContact CD2-CE 4.46Å; L304-F435 HydrophobicContact CD1-CZ 4.19Å
305E60.8Low58.5Low47 Ų4749.9 Ų49.922%0.2224%0.239CC..Hα-helixtrans-62-42.6176-175.8-179.1-164.700111.3T301 K302 N309T301-E305 VanDerWaalsContact O-CB 3.24Å; T301-E305 WeakPolarHBondContact O-CB 3.47Å; T301-E305 PolarHBondContact O-N 2.83Å; K302-E305 PolarHBondContact O-N 3.11Å; E305-N309 WeakPolarHBondContact CG-ND2 2.68Å; E305-N309 WeakPolarHBondContact O-CB 3.29Å; E305-N309 PolarHBondContact O-N 3.28Å; E305-N309 PolarHBondContact O-OD1 3.33Å
306I61.7Low58.4Low28 Ų2848.9 Ų48.914%0.14423%0.234CC..Hα-helixtrans-67.1-41.5174.3-66.3163.2000110.9K302 T303 L308 E310 Y311 K312 Y314K302-I306 HydrophobicContact CG-CD1 4.08Å; K302-I306 VanDerWaalsContact O-CG1 3.27Å; K302-I306 WeakPolarHBondContact O-CG1 3.11Å; K302-I306 PolarHBondContact O-N 2.98Å; T303-I306 PolarHBondContact O-N 2.84Å; I306-L308 VanDerWaalsContact C-N 3.34Å; I306-L308 PolarHBondContact O-N 2.89Å; I306-E310 HydrophobicContact CG2-CB 4.35Å; I306-E310 WeakPolarHBondContact O-CA 3.42Å; I306-E310 WeakPolarHBondContact O-CB 3.49Å; I306-E310 PolarHBondContact O-N 3.03Å; I306-Y311 PolarHBondContact O-N 2.91Å; I306-K312 HydrophobicContact CG2-CB 4.33Å; I306-Y314 HydrophobicContact CD1-CD1 4.36Å
307A61.8Low58.4Low0 Ų054.9 Ų54.90%026%0.256CS..Hα-helixtrans-60.6-42.1177.800000112.7T303 L304 Y311 K312 W313 L328 L374T303-A307 VanDerWaalsContact O-CB 3.31Å; T303-A307 WeakPolarHBondContact O-CB 3.32Å; T303-A307 PolarHBondContact O-N 3.49Å; L304-A307 WeakPolarHBondContact O-CB 3.21Å; L304-A307 PolarHBondContact O-N 3.32Å; A307-Y311 WeakPolarHBondContact O-CA 3.32Å; A307-Y311 PolarHBondContact O-N 3.49Å; A307-K312 VanDerWaalsContact CA-O 3.26Å; A307-K312 WeakPolarHBondContact CA-O 3.32Å; A307-K312 PolarHBondContact N-O 3.1Å; A307-W313 HydrophobicContact CB-CE3 3.8Å; A307-W313 HydrophobicContact CB-CZ3 3.77Å; A307-L328 HydrophobicContact CB-CD1 3.93Å; A307-L374 WeakPolarHBondContact O-CD2 3.43Å
308L60.1Low58.5Low4 Ų459.4 Ų59.42%0.02128%0.277CS..Hα-helixtrans-74-53.5175.9-68.7162.9000111.4L304 I306 L374 F394 F434 F439L304-L308 WeakPolarHBondContact O-CB 3.08Å; L304-L308 WeakPolarHBondContact O-CD1 3.29Å; L304-L308 VanDerWaalsContact O-CG 3.25Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 3.31Å; I306-L308 VanDerWaalsContact C-N 3.34Å; I306-L308 PolarHBondContact O-N 2.89Å; L308-L374 HydrophobicContact CD2-CD2 4.08Å; L308-L374 HydrophobicContact CD2-CG 4.28Å; L308-F394 HydrophobicContact CB-CD1 4.46Å; L308-F394 HydrophobicContact CB-CE1 4.01Å; L308-F394 HydrophobicContact CB-CE2 4.22Å; L308-F394 HydrophobicContact CB-CZ 3.89Å; L308-F394 HydrophobicContact CD2-CE1 4.47Å; L308-F394 HydrophobicContact CD2-CZ 4.03Å; L308-F394 WeakPolarHBondContact O-CD2 3.13Å; L308-F394 WeakPolarHBondContact O-CE2 3.05Å; L308-F434 HydrophobicContact CD1-CZ 4.41Å; L308-F439 HydrophobicContact CD1-CE2 4.28Å; L308-F439 HydrophobicContact CD1-CZ 3.78Å
309N58.9Low58.1Low36 Ų3658.6 Ų58.619%0.19327%0.274CS..Hα-helixtrans-77.9-35.2-167.5-61.5-4.3000113.9E305 F394E305-N309 WeakPolarHBondContact CG-ND2 2.68Å; E305-N309 WeakPolarHBondContact O-CB 3.29Å; E305-N309 PolarHBondContact O-N 3.28Å; E305-N309 PolarHBondContact O-OD1 3.33Å; N309-F394 HydrophobicContact CB-CB 3.89Å; N309-F394 HydrophobicContact CB-CG 4.43Å; N309-F394 WeakPolarHBondContact OD1-CB 2.81Å; N309-F394 VanDerWaalsContact OD1-CD1 3.3Å; N309-F394 WeakPolarHBondContact OD1-CD1 3.15Å; N309-F394 WeakPolarHBondContact OD1-CG 2.71Å
310E59.2Low58.1Low104 Ų10457.8 Ų57.849%0.48626%0.264SS..THydrogen-bonded Turntrans-109.3-7.8-176.2-64.7-163.9-140.100114.3I306 K312I306-E310 HydrophobicContact CG2-CB 4.35Å; I306-E310 WeakPolarHBondContact O-CA 3.42Å; I306-E310 WeakPolarHBondContact O-CB 3.49Å; I306-E310 PolarHBondContact O-N 3.03Å; E310-K312 VanDerWaalsContact C-N 3.35Å; E310-K312 HydrophobicContact CB-CD 4.09Å; E310-K312 HydrophobicContact CB-CG 4.31Å; E310-K312 WeakPolarHBondContact OE2-CE 3.41Å; E310-K312 IonicContact OE2-NZ 2.76Å; E310-K312 PolarHBondContact OE2-NZ 3.42Å
311Y56.2Low57.8Low37 Ų3764.1 Ų64.115%0.14529%0.286CS..SBendtrans53.647.1-171.1-56.6-75.5000112.9I306 A307 L328 L374 C377 F392I306-Y311 PolarHBondContact O-N 2.91Å; A307-Y311 WeakPolarHBondContact O-CA 3.32Å; A307-Y311 PolarHBondContact O-N 3.49Å; Y311-L328 WeakPolarHBondContact O-CD2 3.3Å; Y311-L374 HydrophobicContact CD1-CD2 4.44Å; Y311-C377 HydrophobicContact CD1-CB 4.25Å; Y311-C377 HydrophobicContact CE1-CB 3.43Å; Y311-C377 VanDerWaalsContact CE1-CB 3.43Å; Y311-C377 PolarHBondContact OH-SG 3.26Å; Y311-C377 VanDerWaalsContact OH-SG 3.33Å; Y311-F392 PolarHBondContact OH-O 3.14Å; Y311-F392 VanDerWaalsContact OH-O 3.11Å
312K59.8Low57.4Low110 Ų11064.3 Ų64.348%0.47829%0.285SS..  trans-134.9142.2175.9-60.9167.7-1671660111.4I306 A307 E310I306-K312 HydrophobicContact CG2-CB 4.33Å; A307-K312 VanDerWaalsContact CA-O 3.26Å; A307-K312 WeakPolarHBondContact CA-O 3.32Å; A307-K312 PolarHBondContact N-O 3.1Å; E310-K312 VanDerWaalsContact C-N 3.35Å; E310-K312 HydrophobicContact CB-CD 4.09Å; E310-K312 HydrophobicContact CB-CG 4.31Å; E310-K312 WeakPolarHBondContact OE2-CE 3.41Å; E310-K312 IonicContact OE2-NZ 2.76Å; E310-K312 PolarHBondContact OE2-NZ 3.42Å
313W60.3Low57Low41 Ų4158.5 Ų58.516%0.15526%0.26CS..  trans-84.3124.8166-158.1-126.3000109.4T303 A307 D315 F320 I323 L328 T329T303-W313 HydrophobicContact CG2-CD2 4.37Å; T303-W313 HydrophobicContact CG2-CE3 4.17Å; T303-W313 HydrophobicContact CG2-CH2 3.69Å; T303-W313 HydrophobicContact CG2-CZ2 3.96Å; T303-W313 HydrophobicContact CG2-CZ3 3.82Å; A307-W313 HydrophobicContact CB-CE3 3.8Å; A307-W313 HydrophobicContact CB-CZ3 3.77Å; W313-D315 HydrophobicContact CZ2-CB 4.26Å; W313-F320 HydrophobicContact CH2-CB 4.43Å; W313-F320 HydrophobicContact CZ2-CB 3.9Å; W313-I323 HydrophobicContact CE3-CG2 4.38Å; W313-I323 HydrophobicContact CH2-CB 3.64Å; W313-I323 HydrophobicContact CH2-CD1 3.68Å; W313-I323 HydrophobicContact CH2-CG1 4.24Å; W313-I323 HydrophobicContact CH2-CG2 3.39Å; W313-I323 HydrophobicContact CZ2-CB 3.67Å; W313-I323 HydrophobicContact CZ2-CD1 4.42Å; W313-I323 HydrophobicContact CZ2-CG2 3.68Å; W313-I323 HydrophobicContact CZ3-CB 4.49Å; W313-I323 HydrophobicContact CZ3-CD1 4.5Å; W313-I323 HydrophobicContact CZ3-CG2 3.76Å; W313-L328 HydrophobicContact CB-CB 3.77Å; W313-L328 WeakPolarHBondContact CB-O 3.41Å; W313-L328 HydrophobicContact CE3-CD1 4.29Å; W313-L328 PolarHBondContact N-O 3.48Å; W313-T329 HydrophobicContact CB-CG2 4.08Å; W313-T329 HydrophobicContact CG-CG2 4.12Å
314Y57.1Low56.5Low143 Ų14363.2 Ų63.256%0.56128%0.281SS*.  trans-125.868.1173.6-167.2-99.1000110.7T303 I306 P316T303-Y314 PolarHBondContact OG1-O 3.18Å; I306-Y314 HydrophobicContact CD1-CD1 4.36Å; Y314-P316 VanDerWaalsContact C-CD 3.47Å; Y314-P316 HydrophobicContact CD1-CG 4.43Å; Y314-P316 HydrophobicContact CE1-CG 3.84Å; Y314-P316 VanDerWaalsContact O-CD 3.32Å; Y314-P316 WeakPolarHBondContact O-CD 3.27Å
315D60.3Low56.1Low24 Ų2462.8 Ų62.813%0.12828%0.279CS..  trans-111.681.7167-177.43.4000109.5T303 W313 Y317 Q318 E319 F320T303-D315 HydrophobicContact CG2-CB 4.34Å; W313-D315 HydrophobicContact CZ2-CB 4.26Å; D315-Y317 PolarHBondContact O-N 3.2Å; D315-Y317 PolarHBondContact OD1-N 3.13Å; D315-Q318 VanDerWaalsContact OD1-CA 3.32Å; D315-Q318 WeakPolarHBondContact OD1-CA 3.5Å; D315-Q318 PolarHBondContact OD1-N 2.92Å; D315-Q318 VanDerWaalsContact OD2-CA 3.23Å; D315-Q318 WeakPolarHBondContact OD2-CA 3.39Å; D315-E319 PolarHBondContact OD1-N 3.02Å; D315-E319 PolarHBondContact OD2-N 3.15Å; D315-F320 HydrophobicContact CB-CD2 4.36Å; D315-F320 PolarHBondContact OD2-N 2.92Å
316P51.4Low55.6Low71 Ų7161.6 Ų61.646%0.46128%0.277SS..THydrogen-bonded Turntrans-71.7-9.3-178.730.9-37000113.6Y314Y314-P316 VanDerWaalsContact C-CD 3.47Å; Y314-P316 HydrophobicContact CD1-CG 4.43Å; Y314-P316 HydrophobicContact CE1-CG 3.84Å; Y314-P316 VanDerWaalsContact O-CD 3.32Å; Y314-P316 WeakPolarHBondContact O-CD 3.27Å
317Y51.1Low55Low181 Ų18162.4 Ų62.471%0.7128%0.278SS*.THydrogen-bonded Turntrans-113.1-4.5-175.3-60.4-56.2000113.6D315 E319D315-Y317 PolarHBondContact O-N 3.2Å; D315-Y317 PolarHBondContact OD1-N 3.13Å; Y317-E319 VanDerWaalsContact C-N 3.28Å
318Q55.4Low54.3Low121 Ų12163.1 Ų63.157%0.56528%0.282SS*.  trans55.442.6-170.2-56.3-178.4-6.800112.3D315 F320 R321D315-Q318 VanDerWaalsContact OD1-CA 3.32Å; D315-Q318 WeakPolarHBondContact OD1-CA 3.5Å; D315-Q318 PolarHBondContact OD1-N 2.92Å; D315-Q318 VanDerWaalsContact OD2-CA 3.23Å; D315-Q318 WeakPolarHBondContact OD2-CA 3.39Å; Q318-F320 VanDerWaalsContact C-N 3.33Å; Q318-R321 HydrophobicContact CB-CG 4.3Å; Q318-R321 WeakPolarHBondContact O-CG 3.24Å; Q318-R321 PolarHBondContact O-NE 3.43Å
319E49.7Very low53.8Low82 Ų8266.5 Ų66.538%0.38330%0.303SS..  trans-77.7-18.3176.6-77.1-175.9149.900112.5F296 D315 Y317F296-E319 HydrophobicContact CE2-CB 4.23Å; D315-E319 PolarHBondContact OD1-N 3.02Å; D315-E319 PolarHBondContact OD2-N 3.15Å; Y317-E319 VanDerWaalsContact C-N 3.28Å
320F56.2Low53.2Low6 Ų666.1 Ų66.13%0.02631%0.308CS..  trans-121.851.1-174.8-52.2-60.6000112.3F296 A300 T303 W313 D315 Q318 W322 I323F296-F320 HydrophobicContact CD2-CE1 4.47Å; F296-F320 AromaticContact CE2-CE1 3.77Å; F296-F320 HydrophobicContact CE2-CE1 3.77Å; F296-F320 HydrophobicContact CE2-CZ 4.15Å; F296-F320 AromaticContact CZ-CE1 3.8Å; F296-F320 HydrophobicContact CZ-CE1 3.8Å; A300-F320 HydrophobicContact CB-CD1 4.19Å; A300-F320 HydrophobicContact CB-CE1 3.42Å; A300-F320 VanDerWaalsContact CB-CE1 3.42Å; A300-F320 HydrophobicContact CB-CZ 3.66Å; T303-F320 HydrophobicContact CG2-CD2 4.1Å; W313-F320 HydrophobicContact CH2-CB 4.43Å; W313-F320 HydrophobicContact CZ2-CB 3.9Å; D315-F320 HydrophobicContact CB-CD2 4.36Å; D315-F320 PolarHBondContact OD2-N 2.92Å; Q318-F320 VanDerWaalsContact C-N 3.33Å; F320-W322 AromaticContact CD1-CZ2 3.81Å; F320-W322 HydrophobicContact CD1-CZ2 3.81Å; F320-W322 PolarHBondContact O-N 2.63Å; F320-W322 VanDerWaalsContact O-N 3.09Å; F320-I323 PolarHBondContact O-N 3.34Å
321R52.1Low52.5Low142 Ų14264 Ų6454%0.53630%0.304SS..THydrogen-bonded Turntrans-57.2-23.9-177.8-64.5-176168.1-163.5-13.2115Q318 I323 Q324Q318-R321 HydrophobicContact CB-CG 4.3Å; Q318-R321 WeakPolarHBondContact O-CG 3.24Å; Q318-R321 PolarHBondContact O-NE 3.43Å; R321-I323 PolarHBondContact O-N 2.87Å; R321-Q324 PolarHBondContact O-NE2 3.39Å
322W50.9Low52Low26 Ų2662.9 Ų62.910%0.09830%0.301CS..THydrogen-bonded Turntrans-72.40.2172.748-87.6000114.2F320 L354 P355 D358 M359 I363 V367F320-W322 AromaticContact CD1-CZ2 3.81Å; F320-W322 HydrophobicContact CD1-CZ2 3.81Å; F320-W322 PolarHBondContact O-N 2.63Å; F320-W322 VanDerWaalsContact O-N 3.09Å; W322-L354 WeakPolarHBondContact O-CD2 3.3Å; W322-P355 WeakPolarHBondContact O-CD 3.07Å; W322-D358 HydrophobicContact CB-CB 3.77Å; W322-D358 HydrophobicContact CG-CB 4.48Å; W322-M359 HydrophobicContact CE3-CE 4.04Å; W322-I363 HydrophobicContact CH2-CD1 3.53Å; W322-I363 HydrophobicContact CZ2-CD1 4.23Å; W322-I363 HydrophobicContact CZ3-CD1 3.84Å; W322-V367 HydrophobicContact CE3-CG1 4.41Å; W322-V367 HydrophobicContact CZ3-CG1 3.99Å; W322-V367 HydrophobicContact CZ3-CG2 3.86Å
323I51Low51.1Low4 Ų462.2 Ų62.22%0.02131%0.307CS..  trans-122.8105.6169.9-61.2174000108.9L304 W313 F320 R321 V367 M371L304-I323 HydrophobicContact CD2-CD1 3.78Å; W313-I323 HydrophobicContact CE3-CG2 4.38Å; W313-I323 HydrophobicContact CH2-CB 3.64Å; W313-I323 HydrophobicContact CH2-CD1 3.68Å; W313-I323 HydrophobicContact CH2-CG1 4.24Å; W313-I323 HydrophobicContact CH2-CG2 3.39Å; W313-I323 HydrophobicContact CZ2-CB 3.67Å; W313-I323 HydrophobicContact CZ2-CD1 4.42Å; W313-I323 HydrophobicContact CZ2-CG2 3.68Å; W313-I323 HydrophobicContact CZ3-CB 4.49Å; W313-I323 HydrophobicContact CZ3-CD1 4.5Å; W313-I323 HydrophobicContact CZ3-CG2 3.76Å; F320-I323 PolarHBondContact O-N 3.34Å; R321-I323 PolarHBondContact O-N 2.87Å; I323-V367 HydrophobicContact CD1-CG1 4.5Å; I323-M371 HydrophobicContact CB-CE 4.27Å; I323-M371 HydrophobicContact CD1-CE 3.74Å; I323-M371 HydrophobicContact CG1-CE 3.82Å; I323-M371 HydrophobicContact CG2-CE 3.47Å; I323-M371 VanDerWaalsContact CG2-CE 3.47Å; I323-M371 HydrophobicContact CG2-SD 3.99Å
324Q51.4Low49.8Very low112 Ų11265.5 Ų65.552%0.52333%0.327SS..BIsolated β-bridgetrans-120.491.3173.7-66.1-17034.800110.5R321 Y353R321-Q324 PolarHBondContact O-NE2 3.39Å; Q324-Y353 PolarHBondContact N-O 3.37Å; Q324-Y353 PolarHBondContact O-N 2.85Å
325C52.3Low48.7Very low0 Ų060.3 Ų60.30%031%0.312CS..  trans-96.1112.7171.3177.80000110.9Y327 L328 T329 L351 C352C325-Y327 VanDerWaalsContact C-N 3.26Å; C325-Y327 PolarHBondContact O-N 3.3Å; C325-L328 HydrophobicContact CB-CB 3.93Å; C325-L328 HydrophobicContact CB-CD1 3.83Å; C325-L328 HydrophobicContact CB-CG 4Å; C325-L328 PolarHBondContact O-N 3.23Å; C325-L328 WeakPolarHBondContact SG-CG 3.26Å; C325-L328 PolarHBondContact SG-N 3.2Å; C325-T329 WeakPolarHBondContact O-CB 3.31Å; C325-T329 WeakPolarHBondContact O-CG2 3.41Å; C325-T329 PolarHBondContact O-N 3.09Å; C325-T329 PolarHBondContact O-OG1 3.32Å; C325-L351 PolarHBondContact SG-O 3.48Å; C325-C352 PolarHBondContact SG-SG 3.44Å
326A51.1Low47.6Very low21 Ų2165.2 Ų65.217%0.17433%0.334CS..THydrogen-bonded Turntrans-63.2-32.5-179.700000112.6T329 G330 S331 V332 L351A326-T329 WeakPolarHBondContact CA-OG1 3.33Å; A326-T329 PolarHBondContact O-OG1 2.91Å; A326-G330 PolarHBondContact O-N 3.42Å; A326-S331 WeakPolarHBondContact CA-OG 3.26Å; A326-S331 PolarHBondContact O-N 2.78Å; A326-S331 PolarHBondContact O-OG 3.43Å; A326-S331 VanDerWaalsContact O-OG 3.13Å; A326-V332 HydrophobicContact CB-CG2 3.82Å; A326-V332 WeakPolarHBondContact O-CG2 3.29Å; A326-L351 PolarHBondContact N-O 2.92Å
327Y49.9Very low46.7Very low46 Ų4672.5 Ų72.518%0.1835%0.352CS..THydrogen-bonded Turntrans-65.4-57.8172.5167.3-132000112C325 T329 G330 F378 D381C325-Y327 VanDerWaalsContact C-N 3.26Å; C325-Y327 PolarHBondContact O-N 3.3Å; Y327-T329 VanDerWaalsContact C-N 3.26Å; Y327-T329 PolarHBondContact O-N 3.09Å; Y327-G330 PolarHBondContact O-N 3.48Å; Y327-F378 HydrophobicContact CD1-CB 3.69Å; Y327-F378 AromaticContact CD1-CD2 3.63Å; Y327-F378 HydrophobicContact CD1-CD2 3.63Å; Y327-F378 AromaticContact CD1-CG 3.97Å; Y327-F378 HydrophobicContact CD1-CG 3.97Å; Y327-F378 AromaticContact CD2-CD2 3.18Å; Y327-F378 HydrophobicContact CD2-CD2 3.18Å; Y327-F378 AromaticContact CD2-CE2 3.38Å; Y327-F378 HydrophobicContact CD2-CE2 3.38Å; Y327-F378 HydrophobicContact CD2-CG 4.25Å; Y327-F378 HydrophobicContact CE1-CB 3.86Å; Y327-F378 AromaticContact CE1-CD2 3.88Å; Y327-F378 HydrophobicContact CE1-CD2 3.88Å; Y327-F378 HydrophobicContact CE1-CG 4.33Å; Y327-F378 AromaticContact CE2-CD2 3.45Å; Y327-F378 HydrophobicContact CE2-CD2 3.45Å; Y327-F378 VanDerWaalsContact CE2-CD2 3.45Å; Y327-F378 AromaticContact CE2-CE2 3.88Å; Y327-F378 HydrophobicContact CE2-CE2 3.88Å; Y327-F378 HydrophobicContact CG-CB 4.14Å; Y327-F378 AromaticContact CG-CD2 3.22Å; Y327-F378 HydrophobicContact CG-CD2 3.22Å; Y327-F378 AromaticContact CG-CE2 3.71Å; Y327-F378 HydrophobicContact CG-CE2 3.71Å; Y327-F378 AromaticContact CG-CG 3.88Å; Y327-F378 HydrophobicContact CG-CG 3.88Å; Y327-F378 AromaticContact CZ-CD2 3.76Å; Y327-D381 PolarHBondContact OH-OD2 3.34Å
328L45.7Very low45.7Very low14 Ų1471.2 Ų71.27%0.07336%0.357CS..THydrogen-bonded Turntrans-67.7-25-173.1-64174.4000113.1A307 Y311 W313 C325 L374A307-L328 HydrophobicContact CB-CD1 3.93Å; Y311-L328 WeakPolarHBondContact O-CD2 3.3Å; W313-L328 HydrophobicContact CB-CB 3.77Å; W313-L328 WeakPolarHBondContact CB-O 3.41Å; W313-L328 HydrophobicContact CE3-CD1 4.29Å; W313-L328 PolarHBondContact N-O 3.48Å; C325-L328 HydrophobicContact CB-CB 3.93Å; C325-L328 HydrophobicContact CB-CD1 3.83Å; C325-L328 HydrophobicContact CB-CG 4Å; C325-L328 PolarHBondContact O-N 3.23Å; C325-L328 WeakPolarHBondContact SG-CG 3.26Å; C325-L328 PolarHBondContact SG-N 3.2Å; L328-L374 HydrophobicContact CD1-CD1 3.97Å; L328-L374 HydrophobicContact CD1-CD2 4.24Å
329T49.7Very low44.6Very low75 Ų7569.5 Ų69.546%0.4635%0.351SS..THydrogen-bonded Turntrans-85.2-5172.654.30000114W313 C325 A326 Y327 S331W313-T329 HydrophobicContact CB-CG2 4.08Å; W313-T329 HydrophobicContact CG-CG2 4.12Å; C325-T329 WeakPolarHBondContact O-CB 3.31Å; C325-T329 WeakPolarHBondContact O-CG2 3.41Å; C325-T329 PolarHBondContact O-N 3.09Å; C325-T329 PolarHBondContact O-OG1 3.32Å; A326-T329 WeakPolarHBondContact CA-OG1 3.33Å; A326-T329 PolarHBondContact O-OG1 2.91Å; Y327-T329 VanDerWaalsContact C-N 3.26Å; Y327-T329 PolarHBondContact O-N 3.09Å; T329-S331 PolarHBondContact O-N 2.94Å
330G45.8Very low43.6Very low29 Ų2968.8 Ų68.830%0.29937%0.366SS..THydrogen-bonded Turntrans72.51.6177.500000115.7A326 Y327 V332 T333A326-G330 PolarHBondContact O-N 3.42Å; Y327-G330 PolarHBondContact O-N 3.48Å; G330-V332 PolarHBondContact O-N 3.44Å; G330-T333 WeakPolarHBondContact O-CB 3.31Å; G330-T333 PolarHBondContact O-N 2.9Å; G330-T333 PolarHBondContact O-OG1 3.35Å
331S44.6Very low42.4Very low58 Ų5877.4 Ų77.441%0.40640%0.403SS..THydrogen-bonded Turntrans-59.6-32.2-177.664.10000112.7A326 T329 T333 N334 S335A326-S331 WeakPolarHBondContact CA-OG 3.26Å; A326-S331 PolarHBondContact O-N 2.78Å; A326-S331 PolarHBondContact O-OG 3.43Å; A326-S331 VanDerWaalsContact O-OG 3.13Å; T329-S331 PolarHBondContact O-N 2.94Å; S331-T333 PolarHBondContact O-N 3.23Å; S331-T333 VanDerWaalsContact O-N 3.14Å; S331-N334 PolarHBondContact O-N 2.77Å; S331-S335 PolarHBondContact O-N 3.48Å
332V46.9Very low41.4Very low14 Ų1477.5 Ų77.59%0.08542%0.415CS..Hα-helixtrans-54.8-28.5173.5175.40000113A326 G330 N334 S335 Q336 F378A326-V332 HydrophobicContact CB-CG2 3.82Å; A326-V332 WeakPolarHBondContact O-CG2 3.29Å; G330-V332 PolarHBondContact O-N 3.44Å; V332-N334 VanDerWaalsContact C-N 3.29Å; V332-N334 PolarHBondContact O-N 2.85Å; V332-S335 WeakPolarHBondContact CA-OG 3.49Å; V332-S335 PolarHBondContact O-OG 3.04Å; V332-S335 VanDerWaalsContact O-OG 3.11Å; V332-Q336 WeakPolarHBondContact O-CG 3.5Å; V332-Q336 PolarHBondContact O-N 3.44Å; V332-F378 HydrophobicContact CG1-CZ 4.49Å
333T40Very low40.6Very low97 Ų9784.1 Ų84.160%0.59545%0.452SS*.Hα-helixtrans-72.7-22.2177.765.90000113.4G330 S331G330-T333 WeakPolarHBondContact O-CB 3.31Å; G330-T333 PolarHBondContact O-N 2.9Å; G330-T333 PolarHBondContact O-OG1 3.35Å; S331-T333 PolarHBondContact O-N 3.23Å; S331-T333 VanDerWaalsContact O-N 3.14Å
334N32.9Very low40Very low109 Ų10986.8 Ų86.858%0.58348%0.475SS*.Hα-helixtrans-96.2-32174.8-76.4-48.5000112.4S331 V332 Q336 R337S331-N334 PolarHBondContact O-N 2.77Å; V332-N334 VanDerWaalsContact C-N 3.29Å; V332-N334 PolarHBondContact O-N 2.85Å; N334-Q336 PolarHBondContact O-N 3.27Å; N334-R337 PolarHBondContact O-N 3.47Å
335S34.5Very low39.9Very low34 Ų3486 Ų8624%0.23847%0.471CS..Hα-helixtrans-60.7-33.7172.468.70000111.5S331 V332 R337 L338 L339S331-S335 PolarHBondContact O-N 3.48Å; V332-S335 WeakPolarHBondContact CA-OG 3.49Å; V332-S335 PolarHBondContact O-OG 3.04Å; V332-S335 VanDerWaalsContact O-OG 3.11Å; S335-R337 PolarHBondContact O-N 2.91Å; S335-L338 PolarHBondContact O-N 2.78Å; S335-L339 WeakPolarHBondContact O-CB 3.1Å; S335-L339 WeakPolarHBondContact O-CG 3.43Å; S335-L339 PolarHBondContact O-N 2.98Å
336Q38.1Very low39.8Very low128 Ų12889.2 Ų89.260%0.59849%0.486SS*.THydrogen-bonded Turntrans-60.9-8.2172.6-76-171.1-32.600115.5V332 N334V332-Q336 WeakPolarHBondContact O-CG 3.5Å; V332-Q336 PolarHBondContact O-N 3.44Å; N334-Q336 PolarHBondContact O-N 3.27Å
337R32.2Very low40.1Very low223 Ų22389.9 Ų89.984%0.84249%0.488SS*.THydrogen-bonded Turntrans-101.1-10.6168.1-78.9-175.7171176.7-1.1114.5N334 S335N334-R337 PolarHBondContact O-N 3.47Å; S335-R337 PolarHBondContact O-N 2.91Å
338L29.7Very low40.4Very low155 Ų15587.9 Ų87.981%0.81248%0.48SS*.THydrogen-bonded Turntrans-105.9-27.4178.8-74.1162.9000112.5S335 G340S335-L338 PolarHBondContact O-N 2.78Å; L338-G340 PolarHBondContact O-N 3.1Å
339L32.6Very low41Very low84 Ų8490.5 Ų90.544%0.4449%0.492SS..  trans-75.554.8177.7-68.1170.7000112.5S335 K341 A344S335-L339 WeakPolarHBondContact O-CB 3.1Å; S335-L339 WeakPolarHBondContact O-CG 3.43Å; S335-L339 PolarHBondContact O-N 2.98Å; L339-K341 PolarHBondContact O-N 2.77Å; L339-A344 HydrophobicContact CD2-CB 3.55Å
340G27.7Very low41.2Very low68 Ų6891.2 Ų91.270%0.70149%0.493SS*.  trans-79.291.4170.900000111.4L338L338-G340 PolarHBondContact O-N 3.1Å
341K30.8Very low41.7Very low186 Ų18690.1 Ų90.181%0.80948%0.48SS*.SBendtrans48.688.9164.8-61-179.3178.8-177.80115.9L339L339-K341 PolarHBondContact O-N 2.77Å
342N32.4Very low42.2Very low145 Ų14587.8 Ų87.878%0.77546%0.464SS*.SBendtrans143.1-28.2131.9-69.5-3.3000114.4
343D32.8Very low42.4Very low164 Ų16493 Ų9388%0.87748%0.483SS*.  trans-114.749.4-158.5-59.7-60.1000115.9
344A40.1Very low43.2Very low60 Ų6090.3 Ų90.350%0.49647%0.465SS..  trans-156.5121.9165.800000112.9L339 E346L339-A344 HydrophobicContact CD2-CB 3.55Å; A344-E346 PolarHBondContact O-N 2.85Å
345E49.2Very low44Very low95 Ų9585.9 Ų85.944%0.44444%0.442SS..  trans-79.193.2170.2-64.6-172.4162.600109.4T347 K566E345-T347 PolarHBondContact O-N 2.75Å; E345-T347 VanDerWaalsContact O-N 3.09Å; E345-K566 IonicContact OE1-NZ 3.57Å; E345-K566 PolarHBondContact OE1-NZ 2.66Å
346E49.9Very low44.8Very low68 Ų6889.1 Ų89.132%0.31846%0.462SS..  trans-68.4100.2167.1-80.2-170.3168.500109.4A344 W554A344-E346 PolarHBondContact O-N 2.85Å; E346-W554 PolarHBondContact OE2-NE1 3.46Å
347T56.2Low45.3Very low35 Ų3591.3 Ų91.322%0.21547%0.473CS..  trans-85.8167.7172.874.40000111.4E345 E349 D350E345-T347 PolarHBondContact O-N 2.75Å; E345-T347 VanDerWaalsContact O-N 3.09Å; T347-E349 PolarHBondContact O-N 3.28Å; T347-E349 WeakPolarHBondContact OG1-CB 3.43Å; T347-E349 PolarHBondContact OG1-N 2.94Å; T347-E349 VanDerWaalsContact OG1-N 3.13Å; T347-D350 WeakPolarHBondContact CA-OD2 3.25Å; T347-D350 VanDerWaalsContact CB-OD2 3.27Å; T347-D350 WeakPolarHBondContact CB-OD2 3.39Å; T347-D350 PolarHBondContact N-OD2 2.93Å; T347-D350 PolarHBondContact O-N 3.45Å; T347-D350 PolarHBondContact OG1-N 2.89Å; T347-D350 PolarHBondContact OG1-OD2 3.28Å
348L57.7Low46Very low5 Ų584.4 Ų84.43%0.02645%0.452CS..THydrogen-bonded Turntrans-60.6-25.3168.4-85.5162.2000111.9L351 R375 V379 L558L348-L351 HydrophobicContact CD2-CD1 4.32Å; L348-R375 WeakPolarHBondContact O-CD 3.49Å; L348-R375 PolarHBondContact O-NH1 2.91Å; L348-R375 VanDerWaalsContact O-NH1 3.11Å; L348-V379 HydrophobicContact CD2-CG2 4.36Å; L348-L558 HydrophobicContact CD1-CB 4.22Å; L348-L558 HydrophobicContact CD2-CB 4.42Å; L348-L558 HydrophobicContact CD2-CD1 4.21Å; L348-L558 HydrophobicContact CD2-CD2 4.49Å; L348-L558 HydrophobicContact CG-CB 4.04Å; L348-L558 HydrophobicContact CG-CD2 4.2Å; L348-L558 HydrophobicContact CG-CG 4.5Å
349E56.6Low47.1Very low69 Ų6978.6 Ų78.632%0.32242%0.421SS..THydrogen-bonded Turntrans-75.9-35.2-178.6-72.853.9-122.500111.7T347 L351 C352 Y353 R375 R645T347-E349 PolarHBondContact O-N 3.28Å; T347-E349 WeakPolarHBondContact OG1-CB 3.43Å; T347-E349 PolarHBondContact OG1-N 2.94Å; T347-E349 VanDerWaalsContact OG1-N 3.13Å; E349-L351 PolarHBondContact O-N 3.46Å; E349-C352 CarbonylContact O-C 3.46Å; E349-C352 PolarHBondContact O-N 3.46Å; E349-Y353 PolarHBondContact O-N 2.79Å; E349-R375 IonicContact OE1-CZ 2.78Å; E349-R375 IonicContact OE1-NH1 3.88Å; E349-R375 PolarHBondContact OE1-NH1 3.35Å; E349-R645 IonicContact OE1-CZ 3.6Å; E349-R645 IonicContact OE1-NH1 2.63Å; E349-R645 IonicContact OE1-NH2 2.68Å; E349-R645 PolarHBondContact OE1-NH2 3.14Å; E349-R645 IonicContact OE2-CZ 3.97Å; E349-R645 IonicContact OE2-NH1 3.72Å; E349-R645 PolarHBondContact OE2-NH1 3.48Å; E349-R645 IonicContact OE2-NH2 3.49Å; E349-R645 PolarHBondContact OE2-NH2 3.41Å
350D53.7Low47.9Very low90 Ų9075.3 Ų75.348%0.48141%0.405SS..THydrogen-bonded Turntrans-66.6-19179.1-58.4-66.4000113.6T347T347-D350 WeakPolarHBondContact CA-OD2 3.25Å; T347-D350 VanDerWaalsContact CB-OD2 3.27Å; T347-D350 WeakPolarHBondContact CB-OD2 3.39Å; T347-D350 PolarHBondContact N-OD2 2.93Å; T347-D350 PolarHBondContact O-N 3.45Å; T347-D350 PolarHBondContact OG1-N 2.89Å; T347-D350 PolarHBondContact OG1-OD2 3.28Å
351L56.7Low49.1Very low5 Ų577.4 Ų77.43%0.02641%0.406CS..THydrogen-bonded Turntrans-76.5-31.8179.6-58175.5000112.2C325 A326 L348 E349 R375 F378 L558C325-L351 PolarHBondContact SG-O 3.48Å; A326-L351 PolarHBondContact N-O 2.92Å; L348-L351 HydrophobicContact CD2-CD1 4.32Å; E349-L351 PolarHBondContact O-N 3.46Å; L351-R375 HydrophobicContact CB-CG 4.32Å; L351-F378 HydrophobicContact CD1-CD1 3.84Å; L351-F378 HydrophobicContact CD1-CE1 3.83Å; L351-F378 HydrophobicContact CD2-CD1 4.17Å; L351-F378 HydrophobicContact CD2-CE1 3.5Å; L351-F378 VanDerWaalsContact CD2-CE1 3.5Å; L351-F378 HydrophobicContact CD2-CZ 4.21Å; L351-F378 HydrophobicContact CG-CD1 4.41Å; L351-F378 HydrophobicContact CG-CE1 4.18Å; L351-L558 HydrophobicContact CD1-CD2 4.45Å
352C55.1Low50.1Low9 Ų973.2 Ų73.26%0.06139%0.388CS..SBendtrans-147.294.7173.9-660000109.4C325 E349 M371 R375C325-C352 PolarHBondContact SG-SG 3.44Å; E349-C352 CarbonylContact O-C 3.46Å; E349-C352 PolarHBondContact O-N 3.46Å; C352-M371 HydrophobicContact CB-CB 4.08Å; C352-M371 HydrophobicContact CB-CG 4.43Å; C352-M371 HydrophobicContact CB-SD 4.24Å; C352-R375 HydrophobicContact CB-CG 3.57Å; C352-R375 WeakPolarHBondContact SG-CG 3.49Å
353Y52.5Low51.1Low124 Ų12467 Ų6749%0.48636%0.355SS..BIsolated β-bridgetrans-84.2142.6176.5-176.3-112.4000111.5Q324 E349 P355Q324-Y353 PolarHBondContact N-O 3.37Å; Q324-Y353 PolarHBondContact O-N 2.85Å; E349-Y353 PolarHBondContact O-N 2.79Å; Y353-P355 HydrophobicContact CD1-CG 3.84Å; Y353-P355 HydrophobicContact CE1-CB 3.84Å; Y353-P355 HydrophobicContact CE1-CG 3.6Å
354L55.4Low52.3Low40 Ų4059.9 Ų59.921%0.20932%0.32CS..  trans-122.2104172.5-68.9179.7000108.4W322 P356 M359 V367 A368 M371W322-L354 WeakPolarHBondContact O-CD2 3.3Å; L354-P356 VanDerWaalsContact O-CD 3.3Å; L354-P356 WeakPolarHBondContact O-CD 3.3Å; L354-M359 HydrophobicContact CB-CE 4.17Å; L354-M359 HydrophobicContact CD1-CE 4.08Å; L354-M359 HydrophobicContact CD2-CE 3.62Å; L354-M359 HydrophobicContact CG-CE 4.16Å; L354-V367 HydrophobicContact CD1-CG1 4.47Å; L354-V367 HydrophobicContact CD2-CG1 4Å; L354-A368 HydrophobicContact CD1-CB 4.07Å; L354-M371 HydrophobicContact CD1-CB 4.25Å; L354-M371 HydrophobicContact CD1-CG 3.84Å; L354-M371 HydrophobicContact CD2-CG 3.6Å; L354-M371 HydrophobicContact CD2-SD 4.44Å; L354-M371 HydrophobicContact CG-CG 3.88Å
355P51Low53.1Low17 Ų1761 Ų6111%0.1133%0.325CS..  trans-64.3120.1166.8-9.323.8000108.3W322 Y353 E357W322-P355 WeakPolarHBondContact O-CD 3.07Å; Y353-P355 HydrophobicContact CD1-CG 3.84Å; Y353-P355 HydrophobicContact CE1-CB 3.84Å; Y353-P355 HydrophobicContact CE1-CG 3.6Å; P355-E357 PolarHBondContact O-N 3.42Å
356P51.3Low53.7Low101 Ų10159.8 Ų59.866%0.65632%0.316SS*.G310 helixtrans-67.3-24179-20.634000112.9L354 D358L354-P356 VanDerWaalsContact O-CD 3.3Å; L354-P356 WeakPolarHBondContact O-CD 3.3Å; P356-D358 PolarHBondContact O-N 2.98Å
357E47.4Very low54.2Low175 Ų17556.5 Ų56.582%0.81830%0.301SS*.G310 helixtrans-75.5-23.4-166.8-57.8178.3173.800114P355P355-E357 PolarHBondContact O-N 3.42Å
358D48.3Very low54.5Low78 Ų7856.8 Ų56.842%0.41731%0.307SS..G310 helixtrans-108.87.1-177.5-83.2-32.1000112.9W322 P356W322-D358 HydrophobicContact CB-CB 3.77Å; W322-D358 HydrophobicContact CG-CB 4.48Å; P356-D358 PolarHBondContact O-N 2.98Å
359M51.8Low54.8Low32 Ų3259.7 Ų59.716%0.15833%0.325CS..  trans-102.7119.8-169.5-179.5172.6-72.300112.8W322 L354 G364 V367W322-M359 HydrophobicContact CE3-CE 4.04Å; L354-M359 HydrophobicContact CB-CE 4.17Å; L354-M359 HydrophobicContact CD1-CE 4.08Å; L354-M359 HydrophobicContact CD2-CE 3.62Å; L354-M359 HydrophobicContact CG-CE 4.16Å; M359-G364 WeakPolarHBondContact SD-CA 3.22Å; M359-V367 HydrophobicContact CE-CB 4.17Å; M359-V367 HydrophobicContact CE-CG1 3.67Å
360P50Low55.2Low15 Ų1556.5 Ų56.510%0.09731%0.31CS..  trans-61.3125.7175.3-22.432.2000112F362 I363 G364P360-F362 VanDerWaalsContact C-N 3.31Å; P360-F362 HydrophobicContact CB-CD1 3.96Å; P360-F362 HydrophobicContact CB-CE1 3.48Å; P360-F362 VanDerWaalsContact CB-CE1 3.48Å; P360-F362 HydrophobicContact CB-CZ 3.96Å; P360-F362 PolarHBondContact O-N 3.2Å; P360-I363 HydrophobicContact CB-CG1 4.24Å; P360-I363 HydrophobicContact CG-CD1 4.36Å; P360-I363 VanDerWaalsContact O-CG1 3.29Å; P360-I363 WeakPolarHBondContact O-CG1 3.22Å; P360-I363 PolarHBondContact O-N 2.88Å; P360-G364 PolarHBondContact O-N 3.35Å
361P52.4Low55.8Low113 Ų11352.3 Ų52.373%0.73429%0.287SS*.Hα-helixtrans-55.9-39.6-171-30.536.2000114.8I363 G364P361-I363 PolarHBondContact O-N 2.91Å; P361-I363 VanDerWaalsContact O-N 3.15Å; P361-G364 PolarHBondContact O-N 3.13Å
362F51Low56.3Low97 Ų9753.2 Ų53.243%0.42529%0.294SS..Hα-helixtrans-63.3-19.9-176.464.1-91.4000114.7P360 L431P360-F362 VanDerWaalsContact C-N 3.31Å; P360-F362 HydrophobicContact CB-CD1 3.96Å; P360-F362 HydrophobicContact CB-CE1 3.48Å; P360-F362 VanDerWaalsContact CB-CE1 3.48Å; P360-F362 HydrophobicContact CB-CZ 3.96Å; P360-F362 PolarHBondContact O-N 3.2Å; F362-L431 HydrophobicContact CE2-CD1 4.38Å
363I53.9Low57Low16 Ų1653 Ų538%0.08229%0.292CS..Hα-helixtrans-103-9.9172.160.6174.4000114.1W322 P360 P361 S365 R366 V367 L431W322-I363 HydrophobicContact CH2-CD1 3.53Å; W322-I363 HydrophobicContact CZ2-CD1 4.23Å; W322-I363 HydrophobicContact CZ3-CD1 3.84Å; P360-I363 HydrophobicContact CB-CG1 4.24Å; P360-I363 HydrophobicContact CG-CD1 4.36Å; P360-I363 VanDerWaalsContact O-CG1 3.29Å; P360-I363 WeakPolarHBondContact O-CG1 3.22Å; P360-I363 PolarHBondContact O-N 2.88Å; P361-I363 PolarHBondContact O-N 2.91Å; P361-I363 VanDerWaalsContact O-N 3.15Å; I363-S365 PolarHBondContact O-N 2.74Å; I363-R366 PolarHBondContact O-N 3.43Å; I363-V367 HydrophobicContact CB-CG2 4.03Å; I363-V367 HydrophobicContact CD1-CG2 3.97Å; I363-V367 HydrophobicContact CG1-CG2 4.03Å; I363-V367 WeakPolarHBondContact O-CG2 3.47Å; I363-V367 PolarHBondContact O-N 2.63Å; I363-L431 HydrophobicContact CG2-CD1 4.22Å
364G57.4Low57.6Low14 Ų1447.2 Ų47.214%0.14427%0.27CS..Hα-helixtrans-60.1-43.3-162.300000114.9M359 P360 P361 R366 V367 A368M359-G364 WeakPolarHBondContact SD-CA 3.22Å; P360-G364 PolarHBondContact O-N 3.35Å; P361-G364 PolarHBondContact O-N 3.13Å; G364-R366 PolarHBondContact O-N 3.32Å; G364-V367 PolarHBondContact O-N 2.96Å; G364-A368 VanDerWaalsContact O-CB 3.3Å; G364-A368 WeakPolarHBondContact O-CB 3.49Å; G364-A368 PolarHBondContact O-N 3.07Å
365S58.4Low58.3Low84 Ų8446.3 Ų46.359%0.58726%0.264SS*.Hα-helixtrans-64.5-38.1176.357.70000112.9I363 T369I363-S365 PolarHBondContact O-N 2.74Å; S365-T369 WeakPolarHBondContact O-CB 3.41Å; S365-T369 PolarHBondContact O-N 3.37Å; S365-T369 VanDerWaalsContact O-N 3.09Å; S365-T369 PolarHBondContact O-OG1 3.17Å
366R61.5Low59.3Low68 Ų6846.5 Ų46.526%0.25726%0.262SS..Hα-helixtrans-72.1-40179.7-57.1-179.8-172.5-126.212.8111I363 G364 T369 A370 E432 F435I363-R366 PolarHBondContact O-N 3.43Å; G364-R366 PolarHBondContact O-N 3.32Å; R366-T369 WeakPolarHBondContact O-CB 3.38Å; R366-T369 PolarHBondContact O-N 2.82Å; R366-A370 PolarHBondContact O-N 3.13Å; R366-E432 IonicContact CZ-OE1 2.75Å; R366-E432 IonicContact NH2-OE1 2.9Å; R366-E432 PolarHBondContact NH2-OE1 3.09Å; R366-F435 HydrophobicContact CB-CB 4.25Å; R366-F435 HydrophobicContact CB-CD1 4.08Å; R366-F435 HydrophobicContact CB-CD2 4.01Å; R366-F435 HydrophobicContact CB-CE1 4.38Å; R366-F435 HydrophobicContact CB-CE2 4.31Å; R366-F435 HydrophobicContact CB-CG 3.89Å; R366-F435 HydrophobicContact CB-CZ 4.49Å; R366-F435 HydrophobicContact CG-CB 4.27Å; R366-F435 HydrophobicContact CG-CG 4.43Å; R366-F435 PolarHBondContact NH1-O 3.12Å
367V60.5Low60.2Low0 Ų041.7 Ų41.70%023%0.231CC..Hα-helixtrans-67.9-44.9174.9176.70000111.5W322 I323 L354 M359 I363 G364 T369 A370 M371W322-V367 HydrophobicContact CE3-CG1 4.41Å; W322-V367 HydrophobicContact CZ3-CG1 3.99Å; W322-V367 HydrophobicContact CZ3-CG2 3.86Å; I323-V367 HydrophobicContact CD1-CG1 4.5Å; L354-V367 HydrophobicContact CD1-CG1 4.47Å; L354-V367 HydrophobicContact CD2-CG1 4Å; M359-V367 HydrophobicContact CE-CB 4.17Å; M359-V367 HydrophobicContact CE-CG1 3.67Å; I363-V367 HydrophobicContact CB-CG2 4.03Å; I363-V367 HydrophobicContact CD1-CG2 3.97Å; I363-V367 HydrophobicContact CG1-CG2 4.03Å; I363-V367 WeakPolarHBondContact O-CG2 3.47Å; I363-V367 PolarHBondContact O-N 2.63Å; G364-V367 PolarHBondContact O-N 2.96Å; V367-T369 PolarHBondContact O-N 2.8Å; V367-A370 PolarHBondContact O-N 2.94Å; V367-A370 VanDerWaalsContact O-N 3.13Å; V367-M371 HydrophobicContact CG1-CE 4.06Å; V367-M371 HydrophobicContact CG1-CG 4.48Å; V367-M371 WeakPolarHBondContact O-CG 3.06Å; V367-M371 PolarHBondContact O-N 3.22Å
368A61.7Low61.2Low41 Ų4133.5 Ų33.534%0.33919%0.193SC..Hα-helixtrans-58.2-38.7174.900000112.3L354 G364 S372L354-A368 HydrophobicContact CD1-CB 4.07Å; G364-A368 VanDerWaalsContact O-CB 3.3Å; G364-A368 WeakPolarHBondContact O-CB 3.49Å; G364-A368 PolarHBondContact O-N 3.07Å; A368-S372 PolarHBondContact O-N 3.45Å; A368-S372 PolarHBondContact O-OG 3.15Å
369T64.2Low62.2Low66 Ų6629.9 Ų29.941%0.40517%0.173SC..Hα-helixtrans-63.1-52.6172.9-57.50000110.3S365 R366 V367 M371 S372 C373 F444S365-T369 WeakPolarHBondContact O-CB 3.41Å; S365-T369 PolarHBondContact O-N 3.37Å; S365-T369 VanDerWaalsContact O-N 3.09Å; S365-T369 PolarHBondContact O-OG1 3.17Å; R366-T369 WeakPolarHBondContact O-CB 3.38Å; R366-T369 PolarHBondContact O-N 2.82Å; V367-T369 PolarHBondContact O-N 2.8Å; T369-M371 PolarHBondContact O-N 3.39Å; T369-S372 WeakPolarHBondContact O-CB 3.45Å; T369-S372 PolarHBondContact O-N 2.96Å; T369-C373 PolarHBondContact O-N 3.2Å; T369-F444 HydrophobicContact CG2-CD1 3.91Å; T369-F444 HydrophobicContact CG2-CE1 3.51Å; T369-F444 HydrophobicContact CG2-CE2 4.47Å; T369-F444 HydrophobicContact CG2-CZ 3.83Å; T369-F444 WeakPolarHBondContact O-CE1 3.14Å
370A64.3Low63.1Low1 Ų128.9 Ų28.91%0.00817%0.169CC..Hα-helixtrans-56.5-42.9177.800000113.8R366 V367 S372 C373 L374 F435R366-A370 PolarHBondContact O-N 3.13Å; V367-A370 PolarHBondContact O-N 2.94Å; V367-A370 VanDerWaalsContact O-N 3.13Å; A370-S372 VanDerWaalsContact C-N 3.29Å; A370-S372 PolarHBondContact O-N 3.23Å; A370-C373 WeakPolarHBondContact O-CB 3.43Å; A370-C373 PolarHBondContact O-N 3.34Å; A370-C373 VanDerWaalsContact O-N 3.17Å; A370-L374 PolarHBondContact O-N 3.26Å; A370-F435 HydrophobicContact CB-CE1 4.19Å
371M66.9Low63.9Low3 Ų331 Ų312%0.01518%0.179CC..Hα-helixtrans-61.9-37.6175.2-68.2-51.3137.300112.2L304 I323 C352 L354 V367 T369 C373 L374 R375L304-M371 HydrophobicContact CD2-CE 4.46Å; I323-M371 HydrophobicContact CB-CE 4.27Å; I323-M371 HydrophobicContact CD1-CE 3.74Å; I323-M371 HydrophobicContact CG1-CE 3.82Å; I323-M371 HydrophobicContact CG2-CE 3.47Å; I323-M371 VanDerWaalsContact CG2-CE 3.47Å; I323-M371 HydrophobicContact CG2-SD 3.99Å; C352-M371 HydrophobicContact CB-CB 4.08Å; C352-M371 HydrophobicContact CB-CG 4.43Å; C352-M371 HydrophobicContact CB-SD 4.24Å; L354-M371 HydrophobicContact CD1-CB 4.25Å; L354-M371 HydrophobicContact CD1-CG 3.84Å; L354-M371 HydrophobicContact CD2-CG 3.6Å; L354-M371 HydrophobicContact CD2-SD 4.44Å; L354-M371 HydrophobicContact CG-CG 3.88Å; V367-M371 HydrophobicContact CG1-CE 4.06Å; V367-M371 HydrophobicContact CG1-CG 4.48Å; V367-M371 WeakPolarHBondContact O-CG 3.06Å; V367-M371 PolarHBondContact O-N 3.22Å; T369-M371 PolarHBondContact O-N 3.39Å; M371-C373 VanDerWaalsContact C-N 3.32Å; M371-C373 PolarHBondContact O-N 3.31Å; M371-L374 HydrophobicContact CE-CD1 4.17Å; M371-L374 PolarHBondContact O-N 2.71Å; M371-L374 HydrophobicContact SD-CD1 3.89Å; M371-R375 VanDerWaalsContact O-CG 3.27Å; M371-R375 WeakPolarHBondContact O-CG 3.46Å; M371-R375 PolarHBondContact O-N 3.38Å
372S67Low64.6Low24 Ų2429.7 Ų29.717%0.16816%0.162CC..Hα-helixtrans-63.1-38.3175.8-56.70000111.8A368 T369 A370 R375 Y376A368-S372 PolarHBondContact O-N 3.45Å; A368-S372 PolarHBondContact O-OG 3.15Å; T369-S372 WeakPolarHBondContact O-CB 3.45Å; T369-S372 PolarHBondContact O-N 2.96Å; A370-S372 VanDerWaalsContact C-N 3.29Å; A370-S372 PolarHBondContact O-N 3.23Å; S372-R375 PolarHBondContact O-N 3.34Å; S372-R375 PolarHBondContact OG-NH2 3.28Å; S372-Y376 WeakPolarHBondContact O-CB 3.4Å; S372-Y376 VanDerWaalsContact O-CD1 3.27Å; S372-Y376 WeakPolarHBondContact O-CD1 3.48Å; S372-Y376 WeakPolarHBondContact O-CD2 3.49Å; S372-Y376 PolarHBondContact O-N 2.65Å
373C69.2Low65.3Low3 Ų326.7 Ų26.72%0.0215%0.153CC..Hα-helixtrans-64.5-44.2171.4-177.90000112.9T369 A370 M371 R375 Y376 C377 F444T369-C373 PolarHBondContact O-N 3.2Å; A370-C373 WeakPolarHBondContact O-CB 3.43Å; A370-C373 PolarHBondContact O-N 3.34Å; A370-C373 VanDerWaalsContact O-N 3.17Å; M371-C373 VanDerWaalsContact C-N 3.32Å; M371-C373 PolarHBondContact O-N 3.31Å; C373-R375 VanDerWaalsContact C-N 3.34Å; C373-R375 PolarHBondContact O-N 3.04Å; C373-Y376 PolarHBondContact O-N 3.29Å; C373-Y376 VanDerWaalsContact O-N 3.15Å; C373-C377 PolarHBondContact O-N 3.38Å; C373-F444 HydrophobicContact CB-CD1 3.69Å; C373-F444 HydrophobicContact CB-CE1 3.32Å; C373-F444 HydrophobicContact CB-CZ 4.15Å
374L65.9Low65.6Low3 Ų327.5 Ų27.52%0.01616%0.159CC..Hα-helixtrans-61.3-41177-69167.7000112A307 L308 Y311 L328 A370 M371 F378A307-L374 WeakPolarHBondContact O-CD2 3.43Å; L308-L374 HydrophobicContact CD2-CD2 4.08Å; L308-L374 HydrophobicContact CD2-CG 4.28Å; Y311-L374 HydrophobicContact CD1-CD2 4.44Å; L328-L374 HydrophobicContact CD1-CD1 3.97Å; L328-L374 HydrophobicContact CD1-CD2 4.24Å; A370-L374 PolarHBondContact O-N 3.26Å; M371-L374 HydrophobicContact CE-CD1 4.17Å; M371-L374 PolarHBondContact O-N 2.71Å; M371-L374 HydrophobicContact SD-CD1 3.89Å; L374-F378 WeakPolarHBondContact O-CB 3.44Å; L374-F378 PolarHBondContact O-N 3.19Å
375R69.5Low65.3Low22 Ų2234.9 Ų34.98%0.08319%0.194CC..Hα-helixtrans-60.3-46.6171-68.3-174-71.3165.88112.1L348 E349 L351 C352 M371 S372 C373 F378 V379 D642L348-R375 WeakPolarHBondContact O-CD 3.49Å; L348-R375 PolarHBondContact O-NH1 2.91Å; L348-R375 VanDerWaalsContact O-NH1 3.11Å; E349-R375 IonicContact OE1-CZ 2.78Å; E349-R375 IonicContact OE1-NH1 3.88Å; E349-R375 PolarHBondContact OE1-NH1 3.35Å; L351-R375 HydrophobicContact CB-CG 4.32Å; C352-R375 HydrophobicContact CB-CG 3.57Å; C352-R375 WeakPolarHBondContact SG-CG 3.49Å; M371-R375 VanDerWaalsContact O-CG 3.27Å; M371-R375 WeakPolarHBondContact O-CG 3.46Å; M371-R375 PolarHBondContact O-N 3.38Å; S372-R375 PolarHBondContact O-N 3.34Å; S372-R375 PolarHBondContact OG-NH2 3.28Å; C373-R375 VanDerWaalsContact C-N 3.34Å; C373-R375 PolarHBondContact O-N 3.04Å; R375-F378 PolarHBondContact O-N 3.43Å; R375-V379 WeakPolarHBondContact O-CG2 3.35Å; R375-V379 PolarHBondContact O-N 2.98Å; R375-D642 IonicContact NH2-OD2 3.72Å
376Y73.7Confident64.5Low20 Ų2032.9 Ų32.98%0.07818%0.18CC..Hα-helixtrans-63.7-42179.7-65.8-13.4000112.3S372 C373 V379 L380 V447 H448 L451 D642S372-Y376 WeakPolarHBondContact O-CB 3.4Å; S372-Y376 VanDerWaalsContact O-CD1 3.27Å; S372-Y376 WeakPolarHBondContact O-CD1 3.48Å; S372-Y376 WeakPolarHBondContact O-CD2 3.49Å; S372-Y376 PolarHBondContact O-N 2.65Å; C373-Y376 PolarHBondContact O-N 3.29Å; C373-Y376 VanDerWaalsContact O-N 3.15Å; Y376-V379 PolarHBondContact O-N 2.78Å; Y376-L380 WeakPolarHBondContact O-CG 3.45Å; Y376-L380 PolarHBondContact O-N 3.39Å; Y376-L380 VanDerWaalsContact O-N 3.07Å; Y376-V447 HydrophobicContact CD2-CG1 4.5Å; Y376-H448 AromaticContact CE2-CD2 3.9Å; Y376-L451 HydrophobicContact CD1-CD2 3.29Å; Y376-L451 HydrophobicContact CD2-CD2 4.15Å; Y376-L451 HydrophobicContact CE1-CD2 3.78Å; Y376-L451 HydrophobicContact CG-CD2 3.48Å; Y376-L451 VanDerWaalsContact CG-CD2 3.48Å; Y376-D642 PolarHBondContact OH-OD2 3Å
377C68.3Low63.3Low0 Ų033.9 Ų33.90%020%0.197CC..Hα-helixtrans-63.3-45.2173.3-73.80000111.7Y311 C373 V379 L380 D381 M389Y311-C377 HydrophobicContact CD1-CB 4.25Å; Y311-C377 HydrophobicContact CE1-CB 3.43Å; Y311-C377 VanDerWaalsContact CE1-CB 3.43Å; Y311-C377 PolarHBondContact OH-SG 3.26Å; Y311-C377 VanDerWaalsContact OH-SG 3.33Å; C373-C377 PolarHBondContact O-N 3.38Å; C377-V379 VanDerWaalsContact C-N 3.31Å; C377-V379 PolarHBondContact O-N 3.43Å; C377-L380 PolarHBondContact O-N 3.42Å; C377-L380 VanDerWaalsContact O-N 3.09Å; C377-D381 WeakPolarHBondContact O-CB 3.08Å; C377-D381 PolarHBondContact O-N 3.01Å; C377-M389 HydrophobicContact CB-CE 3.97Å; C377-M389 WeakPolarHBondContact O-CE 3.48Å
378F69Low62.4Low4 Ų440.2 Ų40.22%0.01823%0.227CC..Hα-helixtrans-57-42175.8171-110.1000113.3Y327 V332 L351 L374 R375 D381 K382 W554Y327-F378 HydrophobicContact CD1-CB 3.69Å; Y327-F378 AromaticContact CD1-CD2 3.63Å; Y327-F378 HydrophobicContact CD1-CD2 3.63Å; Y327-F378 AromaticContact CD1-CG 3.97Å; Y327-F378 HydrophobicContact CD1-CG 3.97Å; Y327-F378 AromaticContact CD2-CD2 3.18Å; Y327-F378 HydrophobicContact CD2-CD2 3.18Å; Y327-F378 AromaticContact CD2-CE2 3.38Å; Y327-F378 HydrophobicContact CD2-CE2 3.38Å; Y327-F378 HydrophobicContact CD2-CG 4.25Å; Y327-F378 HydrophobicContact CE1-CB 3.86Å; Y327-F378 AromaticContact CE1-CD2 3.88Å; Y327-F378 HydrophobicContact CE1-CD2 3.88Å; Y327-F378 HydrophobicContact CE1-CG 4.33Å; Y327-F378 AromaticContact CE2-CD2 3.45Å; Y327-F378 HydrophobicContact CE2-CD2 3.45Å; Y327-F378 VanDerWaalsContact CE2-CD2 3.45Å; Y327-F378 AromaticContact CE2-CE2 3.88Å; Y327-F378 HydrophobicContact CE2-CE2 3.88Å; Y327-F378 HydrophobicContact CG-CB 4.14Å; Y327-F378 AromaticContact CG-CD2 3.22Å; Y327-F378 HydrophobicContact CG-CD2 3.22Å; Y327-F378 AromaticContact CG-CE2 3.71Å; Y327-F378 HydrophobicContact CG-CE2 3.71Å; Y327-F378 AromaticContact CG-CG 3.88Å; Y327-F378 HydrophobicContact CG-CG 3.88Å; Y327-F378 AromaticContact CZ-CD2 3.76Å; V332-F378 HydrophobicContact CG1-CZ 4.49Å; L351-F378 HydrophobicContact CD1-CD1 3.84Å; L351-F378 HydrophobicContact CD1-CE1 3.83Å; L351-F378 HydrophobicContact CD2-CD1 4.17Å; L351-F378 HydrophobicContact CD2-CE1 3.5Å; L351-F378 VanDerWaalsContact CD2-CE1 3.5Å; L351-F378 HydrophobicContact CD2-CZ 4.21Å; L351-F378 HydrophobicContact CG-CD1 4.41Å; L351-F378 HydrophobicContact CG-CE1 4.18Å; L374-F378 WeakPolarHBondContact O-CB 3.44Å; L374-F378 PolarHBondContact O-N 3.19Å; R375-F378 PolarHBondContact O-N 3.43Å; F378-D381 PolarHBondContact O-N 2.89Å; F378-K382 HydrophobicContact CD2-CG 4.01Å; F378-K382 HydrophobicContact CE1-CG 4.2Å; F378-K382 HydrophobicContact CE2-CD 4.14Å; F378-K382 HydrophobicContact CE2-CG 3.65Å; F378-K382 HydrophobicContact CZ-CD 4.18Å; F378-K382 VanDerWaalsContact CZ-CE 3.43Å; F378-K382 HydrophobicContact CZ-CG 3.78Å; F378-K382 WeakPolarHBondContact O-CB 3.12Å; F378-K382 WeakPolarHBondContact O-CG 3.4Å; F378-K382 PolarHBondContact O-N 3.31Å; F378-W554 HydrophobicContact CD1-CH2 4.12Å; F378-W554 AromaticContact CE1-CH2 3.61Å; F378-W554 HydrophobicContact CE1-CH2 3.61Å; F378-W554 AromaticContact CE1-CZ2 3.77Å; F378-W554 HydrophobicContact CE1-CZ2 3.77Å; F378-W554 HydrophobicContact CZ-CH2 4.33Å; F378-W554 HydrophobicContact CZ-CZ2 4.4Å
379V70.4Confident61.4Low1 Ų139.3 Ų39.31%0.00622%0.216CC..Hα-helixtrans-63.4-43.8175.2174.30000110.7L348 R375 Y376 C377 D381 K382 C383 L451 Y455 W554 L558L348-V379 HydrophobicContact CD2-CG2 4.36Å; R375-V379 WeakPolarHBondContact O-CG2 3.35Å; R375-V379 PolarHBondContact O-N 2.98Å; Y376-V379 PolarHBondContact O-N 2.78Å; C377-V379 VanDerWaalsContact C-N 3.31Å; C377-V379 PolarHBondContact O-N 3.43Å; V379-D381 PolarHBondContact O-N 2.81Å; V379-K382 PolarHBondContact O-N 3.42Å; V379-C383 WeakPolarHBondContact O-CB 3.27Å; V379-C383 PolarHBondContact O-N 3.17Å; V379-C383 PolarHBondContact O-SG 3.19Å; V379-C383 VanDerWaalsContact O-SG 3.34Å; V379-L451 HydrophobicContact CB-CD1 4.07Å; V379-L451 HydrophobicContact CG1-CD1 3.82Å; V379-Y455 HydrophobicContact CG1-CE2 4.42Å; V379-W554 HydrophobicContact CG2-CH2 4.25Å; V379-W554 HydrophobicContact CG2-CZ3 4.47Å; V379-L558 HydrophobicContact CG1-CD1 4.32Å; V379-L558 HydrophobicContact CG2-CD1 3.53Å
380L69.5Low60.1Low11 Ų1141.6 Ų41.66%0.05823%0.225CC..Hα-helixtrans-63.4-38.4175.9-72.6169.6000112.9Y376 C377 C383 T384 M389 V447 L451 Y454Y376-L380 WeakPolarHBondContact O-CG 3.45Å; Y376-L380 PolarHBondContact O-N 3.39Å; Y376-L380 VanDerWaalsContact O-N 3.07Å; C377-L380 PolarHBondContact O-N 3.42Å; C377-L380 VanDerWaalsContact O-N 3.09Å; L380-C383 PolarHBondContact O-N 3.04Å; L380-T384 HydrophobicContact CD2-CG2 4.47Å; L380-T384 WeakPolarHBondContact O-CB 3.37Å; L380-T384 PolarHBondContact O-N 2.9Å; L380-T384 PolarHBondContact O-OG1 3.23Å; L380-M389 HydrophobicContact CB-CE 3.86Å; L380-V447 HydrophobicContact CD1-CG1 4.48Å; L380-L451 HydrophobicContact CD1-CB 4.4Å; L380-L451 HydrophobicContact CD2-CD1 4.09Å; L380-L451 HydrophobicContact CG-CD1 3.85Å; L380-Y454 HydrophobicContact CD2-CG 4.43Å
381D67.1Low59Low60 Ų6047.8 Ų47.832%0.32126%0.258SS..Hα-helixtrans-63.8-50.2176.2-177.248.4000111.3Y327 C377 F378 V379 C383 M389Y327-D381 PolarHBondContact OH-OD2 3.34Å; C377-D381 WeakPolarHBondContact O-CB 3.08Å; C377-D381 PolarHBondContact O-N 3.01Å; F378-D381 PolarHBondContact O-N 2.89Å; V379-D381 PolarHBondContact O-N 2.81Å; D381-C383 VanDerWaalsContact C-N 3.32Å; D381-C383 PolarHBondContact O-N 3.12Å; D381-M389 HydrophobicContact CB-CE 3.96Å; D381-M389 HydrophobicContact CB-SD 3.91Å
382K66.5Low57.8Low86 Ų8649 Ų4937%0.37426%0.263SS..Hα-helixtrans-62.9-32.9176.5-77.8-82-178.6160.40113.9F378 V379 W554F378-K382 HydrophobicContact CD2-CG 4.01Å; F378-K382 HydrophobicContact CE1-CG 4.2Å; F378-K382 HydrophobicContact CE2-CD 4.14Å; F378-K382 HydrophobicContact CE2-CG 3.65Å; F378-K382 HydrophobicContact CZ-CD 4.18Å; F378-K382 VanDerWaalsContact CZ-CE 3.43Å; F378-K382 HydrophobicContact CZ-CG 3.78Å; F378-K382 WeakPolarHBondContact O-CB 3.12Å; F378-K382 WeakPolarHBondContact O-CG 3.4Å; F378-K382 PolarHBondContact O-N 3.31Å; V379-K382 PolarHBondContact O-N 3.42Å; K382-W554 HydrophobicContact CB-CH2 4.02Å; K382-W554 HydrophobicContact CB-CZ3 3.68Å; K382-W554 HydrophobicContact CG-CH2 4.01Å; K382-W554 HydrophobicContact CG-CZ3 4.18Å
383C66.3Low56.5Low34 Ų3454.8 Ų54.823%0.2329%0.285CS..Hα-helixtrans-109.5-6.3-166.3-65.80000115.5V379 L380 D381 Y454 W554V379-C383 WeakPolarHBondContact O-CB 3.27Å; V379-C383 PolarHBondContact O-N 3.17Å; V379-C383 PolarHBondContact O-SG 3.19Å; V379-C383 VanDerWaalsContact O-SG 3.34Å; L380-C383 PolarHBondContact O-N 3.04Å; D381-C383 VanDerWaalsContact C-N 3.32Å; D381-C383 PolarHBondContact O-N 3.12Å; C383-Y454 HydrophobicContact CB-CE1 3.84Å; C383-Y454 HydrophobicContact CB-CE2 4.22Å; C383-Y454 WeakPolarHBondContact CB-OH 3.33Å; C383-W554 VanDerWaalsContact SG-CZ3 3.6Å
384T59.3Low55.1Low33 Ų3356.3 Ų56.320%0.20229%0.291CS..SBendtrans-124.2137.2175.171.90000110.7L380 C386 Y454L380-T384 HydrophobicContact CD2-CG2 4.47Å; L380-T384 WeakPolarHBondContact O-CB 3.37Å; L380-T384 PolarHBondContact O-N 2.9Å; L380-T384 PolarHBondContact O-OG1 3.23Å; T384-C386 PolarHBondContact O-N 3.47Å; T384-C386 PolarHBondContact O-SG 3.23Å; T384-C386 PolarHBondContact OG1-SG 3.06Å; T384-C386 VanDerWaalsContact OG1-SG 3.39Å; T384-Y454 HydrophobicContact CG2-CD2 3.9Å; T384-Y454 HydrophobicContact CG2-CE2 4.01Å
385N52.1Low53.7Low168 Ų16861.1 Ų61.190%0.89833%0.331SS*.  trans-69102.6171.4-77.4-24.8000108.1S387N385-S387 VanDerWaalsContact C-N 3.27Å; N385-S387 PolarHBondContact O-N 3.37Å
386C41.3Very low52Low42 Ų4266.4 Ų66.428%0.28435%0.351SS..SBendtrans-75.147-149.3-93.90000118.3T384 Q388 M389T384-C386 PolarHBondContact O-N 3.47Å; T384-C386 PolarHBondContact O-SG 3.23Å; T384-C386 PolarHBondContact OG1-SG 3.06Å; T384-C386 VanDerWaalsContact OG1-SG 3.39Å; C386-Q388 VanDerWaalsContact C-N 3.3Å; C386-M389 HydrophobicContact CB-CB 3.91Å; C386-M389 HydrophobicContact CB-CG 4.44Å; C386-M389 VanDerWaalsContact SG-CG 3.56Å
387S36.4Very low49.9Very low89 Ų8971.5 Ų71.562%0.62238%0.376SS*.SBendtrans-64.2-35.7164.760.10000112.2N385N385-S387 VanDerWaalsContact C-N 3.27Å; N385-S387 PolarHBondContact O-N 3.37Å
388Q42.1Very low48.1Very low134 Ų13475.5 Ų75.563%0.62640%0.402SS*.G310 helixtrans-74.5-27.6179.4-67.8-176.4-11.900113.1C386 I390 N391C386-Q388 VanDerWaalsContact C-N 3.3Å; Q388-I390 PolarHBondContact O-N 3.03Å; Q388-N391 WeakPolarHBondContact O-CB 3.39Å; Q388-N391 PolarHBondContact O-N 3.33Å
389M39.5Very low46.3Very low22 Ų2280.9 Ų80.911%0.10843%0.425CS..G310 helixtrans-68.3-12.4176.8-94.1-144.5166.200114.5C377 L380 D381 C386 N391 F392 K393C377-M389 HydrophobicContact CB-CE 3.97Å; C377-M389 WeakPolarHBondContact O-CE 3.48Å; L380-M389 HydrophobicContact CB-CE 3.86Å; D381-M389 HydrophobicContact CB-CE 3.96Å; D381-M389 HydrophobicContact CB-SD 3.91Å; C386-M389 HydrophobicContact CB-CB 3.91Å; C386-M389 HydrophobicContact CB-CG 4.44Å; C386-M389 VanDerWaalsContact SG-CG 3.56Å; M389-N391 PolarHBondContact O-N 2.97Å; M389-F392 HydrophobicContact CG-CB 4.21Å; M389-F392 CarbonylContact O-C 3.53Å; M389-F392 WeakPolarHBondContact O-CA 3.45Å; M389-F392 PolarHBondContact O-N 3.43Å; M389-K393 PolarHBondContact O-N 2.7Å; M389-K393 VanDerWaalsContact O-N 3.14Å
390I38.5Very low44.4Very low114 Ų11491.5 Ų91.559%0.58547%0.465SS*.G310 helixtrans-59.3-29.5168-58.9176.7000110.6Q388Q388-I390 PolarHBondContact O-N 3.03Å
391N40.3Very low42.6Very low131 Ų13196.1 Ų96.170%0.70149%0.489SS*.G310 helixtrans-83.1-11.9173.5-56.5-21.1000113.6Q388 M389Q388-N391 WeakPolarHBondContact O-CB 3.39Å; Q388-N391 PolarHBondContact O-N 3.33Å; M389-N391 PolarHBondContact O-N 2.97Å
392F41.7Very low40.9Very low29 Ų2997 Ų9713%0.12750%0.5CS..G310 helixtrans-99.40.8176.2-76.9-84.2000113.7Y311 M389 F394 L446 V447 S450Y311-F392 PolarHBondContact OH-O 3.14Å; Y311-F392 VanDerWaalsContact OH-O 3.11Å; M389-F392 HydrophobicContact CG-CB 4.21Å; M389-F392 CarbonylContact O-C 3.53Å; M389-F392 WeakPolarHBondContact O-CA 3.45Å; M389-F392 PolarHBondContact O-N 3.43Å; F392-F394 PolarHBondContact O-N 3.11Å; F392-L446 HydrophobicContact CD1-CD2 4.45Å; F392-L446 HydrophobicContact CE1-CB 4.44Å; F392-L446 HydrophobicContact CE1-CD2 3.85Å; F392-L446 HydrophobicContact CE1-CG 3.7Å; F392-L446 HydrophobicContact CZ-CD2 4.18Å; F392-L446 HydrophobicContact CZ-CG 3.85Å; F392-V447 HydrophobicContact CD1-CG2 3.86Å; F392-V447 HydrophobicContact CE1-CB 4.43Å; F392-V447 HydrophobicContact CE1-CG2 3.76Å; F392-S450 WeakPolarHBondContact CZ-OG 3.42Å
393K40.6Very low39.2Very low145 Ų145100.5 Ų100.563%0.6352%0.515SS*.SBendtrans-59.6127.2157.6-70.4-171.5173.3-172.30107.9M389 A395M389-K393 PolarHBondContact O-N 2.7Å; M389-K393 VanDerWaalsContact O-N 3.14Å; K393-A395 PolarHBondContact O-N 3.21Å
394F39.3Very low37.4Very low35 Ų35106.1 Ų106.115%0.15454%0.538CS..  trans-68.1100.4175.2-72.4-120.8000107.9L308 N309 F392 W396 F439L308-F394 HydrophobicContact CB-CD1 4.46Å; L308-F394 HydrophobicContact CB-CE1 4.01Å; L308-F394 HydrophobicContact CB-CE2 4.22Å; L308-F394 HydrophobicContact CB-CZ 3.89Å; L308-F394 HydrophobicContact CD2-CE1 4.47Å; L308-F394 HydrophobicContact CD2-CZ 4.03Å; L308-F394 WeakPolarHBondContact O-CD2 3.13Å; L308-F394 WeakPolarHBondContact O-CE2 3.05Å; N309-F394 HydrophobicContact CB-CB 3.89Å; N309-F394 HydrophobicContact CB-CG 4.43Å; N309-F394 WeakPolarHBondContact OD1-CB 2.81Å; N309-F394 VanDerWaalsContact OD1-CD1 3.3Å; N309-F394 WeakPolarHBondContact OD1-CD1 3.15Å; N309-F394 WeakPolarHBondContact OD1-CG 2.71Å; F392-F394 PolarHBondContact O-N 3.11Å; F394-W396 PolarHBondContact O-N 2.99Å; F394-F439 HydrophobicContact CE1-CE2 4.3Å
395A36.2Very low35.9Very low103 Ų103113.8 Ų113.885%0.85157%0.572SS**  trans-7457.4175.100000111K393K393-A395 PolarHBondContact O-N 3.21Å
396W32.9Very low34.8Very low134 Ų134115 Ų11551%0.50857%0.565SS.*  trans-91.1102.3168.5-128.359.7000107.9F394 P398F394-W396 PolarHBondContact O-N 2.99Å; W396-P398 WeakPolarHBondContact O-CD 3.47Å
397E30.9Very low34.1Very low126 Ų126116.6 Ų116.659%0.58959%0.588SS**  trans-64.9126.2155.8-75.4-179.996.100107.3K399E397-K399 VanDerWaalsContact C-N 3.31Å; E397-K399 HydrophobicContact CB-CD 3.94Å; E397-K399 HydrophobicContact CB-CG 4.05Å; E397-K399 VanDerWaalsContact CD-CE 3.45Å; E397-K399 PolarHBondContact O-N 2.85Å; E397-K399 WeakPolarHBondContact OE1-CE 3.4Å; E397-K399 IonicContact OE1-NZ 2.65Å; E397-K399 PolarHBondContact OE1-NZ 2.56Å; E397-K399 WeakPolarHBondContact OE2-CE 3.38Å; E397-K399 IonicContact OE2-NZ 2.93Å; E397-K399 PolarHBondContact OE2-NZ 3.09Å
398P30Very low33.5Very low84 Ų84122.5 Ų122.555%0.54560%0.603SS.*  trans-69.290.7178.227.8-34.2000109.3W396 S402W396-P398 WeakPolarHBondContact O-CD 3.47Å; P398-S402 PolarHBondContact O-OG 3.13Å
399K31.9Very low32.6Very low117 Ų117120.6 Ų120.651%0.50961%0.61SS.*  trans-120.13.8-170.8-88.7-179.6176.7168.10115E397E397-K399 VanDerWaalsContact C-N 3.31Å; E397-K399 HydrophobicContact CB-CD 3.94Å; E397-K399 HydrophobicContact CB-CG 4.05Å; E397-K399 VanDerWaalsContact CD-CE 3.45Å; E397-K399 PolarHBondContact O-N 2.85Å; E397-K399 WeakPolarHBondContact OE1-CE 3.4Å; E397-K399 IonicContact OE1-NZ 2.65Å; E397-K399 PolarHBondContact OE1-NZ 2.56Å; E397-K399 WeakPolarHBondContact OE2-CE 3.38Å; E397-K399 IonicContact OE2-NZ 2.93Å; E397-K399 PolarHBondContact OE2-NZ 3.09Å
400R30.5Very low32Very low225 Ų225129 Ų12985%0.84965%0.646SS**SBendtrans-131.1-7.5-179.7-84.3-170.8169.2178.3-3.2118.2
401L32.1Very low31.4Very low108 Ų108131.1 Ų131.157%0.56566%0.658SS**SBendtrans-1242.7176.1-76171.4000114.4
402S31.4Very low30.8Very low77 Ų77133.3 Ų133.354%0.53867%0.667SS.*SBendtrans-12811.8-169.254.10000113.8P398P398-S402 PolarHBondContact O-OG 3.13Å
403K29.4Very low30Very low160 Ų160135.1 Ų135.170%0.69670%0.695SS**  trans-137.36.9-169.7-85-158.7169-164.70117.2
404E28.7Very low29.5Very low153 Ų153137.7 Ų137.772%0.71571%0.709SS**  trans-101.9106.6164.7-67.5-169.9162.700109Y406E404-Y406 HydrophobicContact CB-CD2 3.93Å; E404-Y406 HydrophobicContact CB-CE2 3.74Å; E404-Y406 PolarHBondContact O-N 3.25Å; E404-Y406 WeakPolarHBondContact OE2-CE2 3.27Å
405E28.2Very low28.9Very low193 Ų193147.1 Ų147.190%0.90274%0.743SS**  trans-74.573.4179.4-63.8-178.2134.500110.4G407E405-G407 VanDerWaalsContact C-N 3.35Å; E405-G407 PolarHBondContact O-N 3.11Å
406Y28.6Very low28.5Very low195 Ų195151 Ų15177%0.76574%0.744SS**  trans-67.694.9172-82.7-77.2000110.2E404 F408E404-Y406 HydrophobicContact CB-CD2 3.93Å; E404-Y406 HydrophobicContact CB-CE2 3.74Å; E404-Y406 PolarHBondContact O-N 3.25Å; E404-Y406 WeakPolarHBondContact OE2-CE2 3.27Å; Y406-F408 PolarHBondContact O-N 2.99Å
407G26.6Very low28.2Very low74 Ų74151.2 Ų151.276%0.76375%0.754SS**  trans-65.9126.3-171.400000113.6E405E405-G407 VanDerWaalsContact C-N 3.35Å; E405-G407 PolarHBondContact O-N 3.11Å
408F23.4Very low28Very low214 Ų214154.6 Ų154.694%0.93977%0.769SS**  trans-58.9154161.6-98-109.7000111.4Y406Y406-F408 PolarHBondContact O-N 2.99Å
409A23.4Very low27.9Very low93 Ų93155 Ų15577%0.76977%0.77SS**  trans78.768.516500000119.2
410K26.6Very low27.6Very low199 Ų199157.5 Ų157.587%0.86579%0.786SS**  trans-174.9147.9139.3-101.5163.8-174178.60107.6
411L27.3Very low27.6Very low159 Ų159151.5 Ų151.583%0.83277%0.769SS**  cis-122.8161.28.2-72.985.4000112
412I27Very low27.6Very low176 Ų176150.7 Ų150.790%0.90377%0.77SS**  trans-90.9132.8160.5-63.5168.2000107.9
413G25.7Very low27.9Very low68 Ų68150.3 Ų150.370%0.70176%0.762SS**  trans93.187.3161.600000116.4
414Q29.2Very low28.4Very low199 Ų199144.8 Ų144.893%0.9374%0.743SS**  trans-141.2164.9146-108165.820.500108.9
415R27.6Very low29Very low233 Ų233141.1 Ų141.188%0.87973%0.734SS**  trans-76.2155.1-164.5-70.2177.6173.9163.9-4.8112.9
416E26.1Very low29.8Very low183 Ų183133.6 Ų133.686%0.85570%0.703SS**  trans-55.2138161.9-67.3139.4142.700110.3
417I28.4Very low30.5Very low140 Ų140125 Ų12572%0.71867%0.671SS**  trans-138.3125.9165.5-57.7-179.9000104.6V419I417-V419 HydrophobicContact CB-CG2 4.24Å; I417-V419 HydrophobicContact CG2-CG2 3.86Å; I417-V419 PolarHBondContact O-N 3.32Å
418E25.3Very low31.3Very low196 Ų196124 Ų12492%0.91666%0.655SS**  trans-66118.6169.8-63.3175.912900108.6
419V27.7Very low32.7Very low92 Ų92117 Ų11756%0.55863%0.626SS**  trans-132.6109.8174.7-159.80000109.4I417 I421I417-V419 HydrophobicContact CB-CG2 4.24Å; I417-V419 HydrophobicContact CG2-CG2 3.86Å; I417-V419 PolarHBondContact O-N 3.32Å; V419-I421 VanDerWaalsContact C-N 3.3Å; V419-I421 HydrophobicContact CB-CD1 4.1Å; V419-I421 HydrophobicContact CB-CG1 3.76Å; V419-I421 HydrophobicContact CG1-CD1 3.97Å; V419-I421 HydrophobicContact CG1-CG1 3.36Å; V419-I421 PolarHBondContact O-N 3.45Å
420M26.3Very low34Very low171 Ų171116.1 Ų116.184%0.84261%0.606SS**  trans-67.591.3161.1-72-179.1170.900108.3
421I29.6Very low35Very low99 Ų99107.4 Ų107.451%0.50857%0.569SS.*PPolyproline II helixtrans-97.2117.6174.8-56.6179.1000108.1V419V419-I421 VanDerWaalsContact C-N 3.3Å; V419-I421 HydrophobicContact CB-CD1 4.1Å; V419-I421 HydrophobicContact CB-CG1 3.76Å; V419-I421 HydrophobicContact CG1-CD1 3.97Å; V419-I421 HydrophobicContact CG1-CG1 3.36Å; V419-I421 PolarHBondContact O-N 3.45Å
422P32.7Very low36Very low90 Ų90104.9 Ų104.958%0.58455%0.552SS**PPolyproline II helixtrans-63.5137.9168.927.9-33.4000109.4S424P422-S424 PolarHBondContact O-N 2.73Å
423I37.9Very low37.3Very low69 Ų69102.5 Ų102.535%0.35454%0.535SS..PPolyproline II helixtrans-54.6117.7-172.9-61.8175.2000109.4F264 F289F264-I423 HydrophobicContact CE1-CD1 4.34Å; F289-I423 HydrophobicContact CE1-CD1 4.19Å
424S39.4Very low38.5Very low45 Ų45101.2 Ų101.232%0.31551%0.511SS..PPolyproline II helixtrans-70.8142.7-152.765.60000114.5E290 P422 S426E290-S424 PolarHBondContact OE1-OG 2.71Å; P422-S424 PolarHBondContact O-N 2.73Å; S424-S426 PolarHBondContact O-N 2.71Å
425S41.6Very low39.6Very low75 Ų7592 Ų9252%0.52447%0.468SS..THydrogen-bonded Turntrans-54.1-19.9-174.661.90000115.4V427 A428 E429S425-V427 VanDerWaalsContact C-N 3.28Å; S425-V427 PolarHBondContact O-N 3.32Å; S425-A428 PolarHBondContact O-N 3.47Å; S425-E429 WeakPolarHBondContact CB-OE1 3.46Å; S425-E429 WeakPolarHBondContact O-CB 2.87Å; S425-E429 PolarHBondContact O-N 3.11Å; S425-E429 PolarHBondContact OG-OE1 3.14Å
426S46.2Very low40.9Very low35 Ų3583.5 Ų83.525%0.24544%0.439CS..Hα-helixtrans-53.9-33.5-166.465.40000115.7S424 E430S424-S426 PolarHBondContact O-N 2.71Å; S426-E430 WeakPolarHBondContact O-CG 3.39Å; S426-E430 PolarHBondContact O-N 2.91Å
427V43Very low42Very low14 Ų1478.4 Ų78.49%0.08543%0.429CS..Hα-helixtrans-92.4-28.6-177.2-156.70000113R294 L297 S425 E429 E430 L431R294-V427 HydrophobicContact CG-CG2 3.94Å; L297-V427 HydrophobicContact CB-CG1 3.77Å; L297-V427 HydrophobicContact CD1-CB 4.06Å; L297-V427 HydrophobicContact CD1-CG1 3.49Å; L297-V427 VanDerWaalsContact CD1-CG1 3.49Å; L297-V427 HydrophobicContact CG-CG1 4.25Å; S425-V427 VanDerWaalsContact C-N 3.28Å; S425-V427 PolarHBondContact O-N 3.32Å; V427-E429 VanDerWaalsContact C-N 3.33Å; V427-E430 PolarHBondContact O-N 2.95Å; V427-L431 PolarHBondContact O-N 3.15Å
428A44Very low43.2Very low53 Ų5376 Ų7644%0.43842%0.417SS..Hα-helixtrans-61.2-48.9163.500000108.8S425 E430 L431 E432S425-A428 PolarHBondContact O-N 3.47Å; A428-E430 PolarHBondContact O-N 3.42Å; A428-L431 CarbonylContact O-C 3.57Å; A428-L431 PolarHBondContact O-N 3.33Å; A428-L431 VanDerWaalsContact O-N 3.13Å; A428-E432 WeakPolarHBondContact O-CG 3.49Å; A428-E432 PolarHBondContact O-N 2.84Å
429E51Low44.4Very low69 Ų6968.3 Ų68.332%0.32238%0.381SS..Hα-helixtrans-57-41172.4-80.7-176.5-118.400113.7S425 V427 E432 K433S425-E429 WeakPolarHBondContact CB-OE1 3.46Å; S425-E429 WeakPolarHBondContact O-CB 2.87Å; S425-E429 PolarHBondContact O-N 3.11Å; S425-E429 PolarHBondContact OG-OE1 3.14Å; V427-E429 VanDerWaalsContact C-N 3.33Å; E429-E432 PolarHBondContact O-N 3.36Å; E429-K433 VanDerWaalsContact O-CB 3.27Å; E429-K433 WeakPolarHBondContact O-CB 3.5Å; E429-K433 WeakPolarHBondContact O-CD 3.45Å; E429-K433 WeakPolarHBondContact O-CG 3.36Å; E429-K433 PolarHBondContact O-N 3.29Å; E429-K433 IonicContact OE2-NZ 2.66Å; E429-K433 PolarHBondContact OE2-NZ 2.97Å
430E50.9Low45.7Very low73 Ų7366.6 Ų66.634%0.34137%0.373SS..Hα-helixtrans-64.4-39.1175-85-172.317600111.8S426 V427 A428 K433 F434S426-E430 WeakPolarHBondContact O-CG 3.39Å; S426-E430 PolarHBondContact O-N 2.91Å; V427-E430 PolarHBondContact O-N 2.95Å; A428-E430 PolarHBondContact O-N 3.42Å; E430-K433 PolarHBondContact O-N 3.1Å; E430-F434 WeakPolarHBondContact O-CB 3.27Å; E430-F434 PolarHBondContact O-N 3.29Å
431L47.6Very low47.1Very low17 Ų1764.5 Ų64.59%0.08936%0.359CS..Hα-helixtrans-68.1-38.6173.3-77.3166.1000112.1L297 T301 F362 I363 V427 A428 K433 F434 F435L297-L431 HydrophobicContact CD2-CD1 4.44Å; T301-L431 HydrophobicContact CG2-CD2 3.52Å; T301-L431 HydrophobicContact CG2-CG 4.46Å; F362-L431 HydrophobicContact CE2-CD1 4.38Å; I363-L431 HydrophobicContact CG2-CD1 4.22Å; V427-L431 PolarHBondContact O-N 3.15Å; A428-L431 CarbonylContact O-C 3.57Å; A428-L431 PolarHBondContact O-N 3.33Å; A428-L431 VanDerWaalsContact O-N 3.13Å; L431-K433 VanDerWaalsContact C-N 3.34Å; L431-F434 PolarHBondContact O-N 2.77Å; L431-F435 HydrophobicContact CD2-CE2 4.45Å; L431-F435 WeakPolarHBondContact O-CB 3.33Å; L431-F435 WeakPolarHBondContact O-CD2 3.44Å; L431-F435 PolarHBondContact O-N 3.1Å
432E49.5Very low48.6Very low105 Ų10566 Ų6649%0.49136%0.364SS..Hα-helixtrans-65.1-36.8174-70.7-146.4103.400112.6R366 A428 E429 F435 D436R366-E432 IonicContact CZ-OE1 2.75Å; R366-E432 IonicContact NH2-OE1 2.9Å; R366-E432 PolarHBondContact NH2-OE1 3.09Å; A428-E432 WeakPolarHBondContact O-CG 3.49Å; A428-E432 PolarHBondContact O-N 2.84Å; E429-E432 PolarHBondContact O-N 3.36Å; E432-F435 CarbonylContact O-C 3.51Å; E432-F435 VanDerWaalsContact O-C 3.25Å; E432-D436 VanDerWaalsContact O-CA 3.26Å; E432-D436 WeakPolarHBondContact O-CA 3.18Å; E432-D436 PolarHBondContact O-N 3.3Å; E432-D436 VanDerWaalsContact O-N 3.1Å
433K54.4Low49.9Very low126 Ų12665.9 Ų65.955%0.54835%0.354SS..Hα-helixtrans-75.6-28.2175.5-69.4159.6-163.5168.10112.4E429 E430 L431E429-K433 VanDerWaalsContact O-CB 3.27Å; E429-K433 WeakPolarHBondContact O-CB 3.5Å; E429-K433 WeakPolarHBondContact O-CD 3.45Å; E429-K433 WeakPolarHBondContact O-CG 3.36Å; E429-K433 PolarHBondContact O-N 3.29Å; E429-K433 IonicContact OE2-NZ 2.66Å; E429-K433 PolarHBondContact OE2-NZ 2.97Å; E430-K433 PolarHBondContact O-N 3.1Å; L431-K433 VanDerWaalsContact C-N 3.34Å
434F51.1Low51.2Low41 Ų4163.9 Ų63.918%0.1834%0.343CS..Hα-helixtrans-71.7-45.3172-177.4-91.5000111.1L308 E430 L431 D436L308-F434 HydrophobicContact CD1-CZ 4.41Å; E430-F434 WeakPolarHBondContact O-CB 3.27Å; E430-F434 PolarHBondContact O-N 3.29Å; L431-F434 PolarHBondContact O-N 2.77Å; F434-D436 VanDerWaalsContact C-N 3.32Å; F434-D436 PolarHBondContact O-N 3.35Å
435F52.3Low52.5Low7 Ų767.5 Ų67.53%0.03136%0.355CS..THydrogen-bonded Turntrans-94.741.3174-68.3-69000112.2L304 R366 A370 L431 E432 F439L304-F435 HydrophobicContact CD1-CZ 4.19Å; R366-F435 HydrophobicContact CB-CB 4.25Å; R366-F435 HydrophobicContact CB-CD1 4.08Å; R366-F435 HydrophobicContact CB-CD2 4.01Å; R366-F435 HydrophobicContact CB-CE1 4.38Å; R366-F435 HydrophobicContact CB-CE2 4.31Å; R366-F435 HydrophobicContact CB-CG 3.89Å; R366-F435 HydrophobicContact CB-CZ 4.49Å; R366-F435 HydrophobicContact CG-CB 4.27Å; R366-F435 HydrophobicContact CG-CG 4.43Å; R366-F435 PolarHBondContact NH1-O 3.12Å; A370-F435 HydrophobicContact CB-CE1 4.19Å; L431-F435 HydrophobicContact CD2-CE2 4.45Å; L431-F435 WeakPolarHBondContact O-CB 3.33Å; L431-F435 WeakPolarHBondContact O-CD2 3.44Å; L431-F435 PolarHBondContact O-N 3.1Å; E432-F435 CarbonylContact O-C 3.51Å; E432-F435 VanDerWaalsContact O-C 3.25Å; F435-F439 AromaticContact CD1-CD1 3.99Å; F435-F439 HydrophobicContact CD1-CD1 3.99Å; F435-F439 AromaticContact CD1-CE1 3.72Å; F435-F439 HydrophobicContact CD1-CE1 3.72Å; F435-F439 HydrophobicContact CE1-CE1 4.08Å
436D54.4Low53.8Low53 Ų5367.8 Ų67.828%0.28335%0.35SS..  trans-69.3174.1-175.586.3-12.8000112.4E432 F434 N438 F439 S440E432-D436 VanDerWaalsContact O-CA 3.26Å; E432-D436 WeakPolarHBondContact O-CA 3.18Å; E432-D436 PolarHBondContact O-N 3.3Å; E432-D436 VanDerWaalsContact O-N 3.1Å; F434-D436 VanDerWaalsContact C-N 3.32Å; F434-D436 PolarHBondContact O-N 3.35Å; D436-N438 PolarHBondContact O-N 3.07Å; D436-N438 VanDerWaalsContact O-N 3.15Å; D436-N438 VanDerWaalsContact OD1-CA 3.31Å; D436-N438 WeakPolarHBondContact OD1-CA 3.27Å; D436-N438 VanDerWaalsContact OD1-CB 3.29Å; D436-N438 WeakPolarHBondContact OD1-CB 3.48Å; D436-N438 PolarHBondContact OD1-N 2.66Å; D436-N438 PolarHBondContact OD2-ND2 3.32Å; D436-F439 PolarHBondContact O-N 3.28Å; D436-F439 PolarHBondContact OD1-N 2.9Å; D436-S440 WeakPolarHBondContact O-CB 3.35Å; D436-S440 PolarHBondContact O-N 3.19Å; D436-S440 PolarHBondContact O-OG 2.84Å
437A48.2Very low54.8Low77 Ų7766.3 Ų66.364%0.63634%0.34SS*.Hα-helixtrans-61.3-20.7177.400000112.9K441A437-K441 WeakPolarHBondContact O-CB 3.36Å; A437-K441 PolarHBondContact O-N 2.84Å; A437-K441 VanDerWaalsContact O-N 3.12Å
438N53.4Low56.3Low89 Ų8967.6 Ų67.648%0.47635%0.345SS..Hα-helixtrans-85.3-42.2179.8-52.7-63.6000111.4D436 S440 K441 E442D436-N438 PolarHBondContact O-N 3.07Å; D436-N438 VanDerWaalsContact O-N 3.15Å; D436-N438 VanDerWaalsContact OD1-CA 3.31Å; D436-N438 WeakPolarHBondContact OD1-CA 3.27Å; D436-N438 VanDerWaalsContact OD1-CB 3.29Å; D436-N438 WeakPolarHBondContact OD1-CB 3.48Å; D436-N438 PolarHBondContact OD1-N 2.66Å; D436-N438 PolarHBondContact OD2-ND2 3.32Å; N438-S440 VanDerWaalsContact C-N 3.3Å; N438-S440 PolarHBondContact O-N 3.48Å; N438-K441 PolarHBondContact O-N 3.21Å; N438-K441 VanDerWaalsContact O-N 3.17Å; N438-E442 PolarHBondContact O-N 2.96Å
439F52.1Low57.7Low35 Ų3567.2 Ų67.215%0.15434%0.339CS..Iπ-helixtrans-55.5-49.1169.4178.1-103.9000110.5L308 F394 F435 D436 K441 K443 F444L308-F439 HydrophobicContact CD1-CE2 4.28Å; L308-F439 HydrophobicContact CD1-CZ 3.78Å; F394-F439 HydrophobicContact CE1-CE2 4.3Å; F435-F439 AromaticContact CD1-CD1 3.99Å; F435-F439 HydrophobicContact CD1-CD1 3.99Å; F435-F439 AromaticContact CD1-CE1 3.72Å; F435-F439 HydrophobicContact CD1-CE1 3.72Å; F435-F439 HydrophobicContact CE1-CE1 4.08Å; D436-F439 PolarHBondContact O-N 3.28Å; D436-F439 PolarHBondContact OD1-N 2.9Å; F439-K441 VanDerWaalsContact C-N 3.29Å; F439-K441 PolarHBondContact O-N 2.86Å; F439-K443 PolarHBondContact O-N 3.23Å; F439-F444 AromaticContact CD1-CE2 3.75Å; F439-F444 HydrophobicContact CD1-CE2 3.75Å; F439-F444 AromaticContact CE1-CE2 3.47Å; F439-F444 HydrophobicContact CE1-CE2 3.47Å; F439-F444 VanDerWaalsContact CE1-CE2 3.47Å; F439-F444 AromaticContact CE1-CZ 3.85Å; F439-F444 HydrophobicContact CE1-CZ 3.85Å; F439-F444 HydrophobicContact CZ-CE2 4.09Å; F439-F444 HydrophobicContact CZ-CZ 4.39Å; F439-F444 WeakPolarHBondContact O-CD2 3.49Å
440S54.4Low58.8Low56 Ų5665.3 Ų65.339%0.39233%0.333SS..Iπ-helixtrans-62.5-31.9177.5-56.60000113.2D436 N438 F444D436-S440 WeakPolarHBondContact O-CB 3.35Å; D436-S440 PolarHBondContact O-N 3.19Å; D436-S440 PolarHBondContact O-OG 2.84Å; N438-S440 VanDerWaalsContact C-N 3.3Å; N438-S440 PolarHBondContact O-N 3.48Å; S440-F444 WeakPolarHBondContact O-CB 3.1Å
441K56.3Low60.2Low127 Ų12761.9 Ų61.955%0.55232%0.318SS*.Iπ-helixtrans-89.1-56.8-177.1-170.9174.5-174.5178.30112.7A437 N438 F439 Q445A437-K441 WeakPolarHBondContact O-CB 3.36Å; A437-K441 PolarHBondContact O-N 2.84Å; A437-K441 VanDerWaalsContact O-N 3.12Å; N438-K441 PolarHBondContact O-N 3.21Å; N438-K441 VanDerWaalsContact O-N 3.17Å; F439-K441 VanDerWaalsContact C-N 3.29Å; F439-K441 PolarHBondContact O-N 2.86Å; K441-Q445 WeakPolarHBondContact O-CB 3.27Å; K441-Q445 VanDerWaalsContact O-CD 3.3Å; K441-Q445 WeakPolarHBondContact O-CG 2.98Å; K441-Q445 PolarHBondContact O-N 3Å; K441-Q445 PolarHBondContact O-OE1 3.3Å
442E60.1Low61.9Low130 Ų13064.2 Ų64.261%0.60733%0.325SS*.Iπ-helixtrans-71.4-41.6-170.3-64.1-170.4172.200113.6N438N438-E442 PolarHBondContact O-N 2.96Å
443K60.1Low63.4Low87 Ų8763.1 Ų63.138%0.37832%0.32SS..Iπ-helixtrans-87.7-44-171.4-60-55-179.1-1710112.6F439 L446 V447F439-K443 PolarHBondContact O-N 3.23Å; K443-L446 PolarHBondContact O-N 2.66Å; K443-V447 PolarHBondContact O-N 3.42Å; K443-V447 VanDerWaalsContact O-N 3.1Å
444F65.2Low64.8Low28 Ų2858.5 Ų58.512%0.12330%0.299CS..Hα-helixtrans-64.8-42.8175.4-65.7-97.5000111.3T369 C373 F439 S440 L446 V447 H448T369-F444 HydrophobicContact CG2-CD1 3.91Å; T369-F444 HydrophobicContact CG2-CE1 3.51Å; T369-F444 HydrophobicContact CG2-CE2 4.47Å; T369-F444 HydrophobicContact CG2-CZ 3.83Å; T369-F444 WeakPolarHBondContact O-CE1 3.14Å; C373-F444 HydrophobicContact CB-CD1 3.69Å; C373-F444 HydrophobicContact CB-CE1 3.32Å; C373-F444 HydrophobicContact CB-CZ 4.15Å; F439-F444 AromaticContact CD1-CE2 3.75Å; F439-F444 HydrophobicContact CD1-CE2 3.75Å; F439-F444 AromaticContact CE1-CE2 3.47Å; F439-F444 HydrophobicContact CE1-CE2 3.47Å; F439-F444 VanDerWaalsContact CE1-CE2 3.47Å; F439-F444 AromaticContact CE1-CZ 3.85Å; F439-F444 HydrophobicContact CE1-CZ 3.85Å; F439-F444 HydrophobicContact CZ-CE2 4.09Å; F439-F444 HydrophobicContact CZ-CZ 4.39Å; F439-F444 WeakPolarHBondContact O-CD2 3.49Å; S440-F444 WeakPolarHBondContact O-CB 3.1Å; F444-L446 VanDerWaalsContact C-N 3.26Å; F444-L446 PolarHBondContact O-N 2.81Å; F444-V447 PolarHBondContact O-N 3.33Å; F444-H448 WeakPolarHBondContact O-CA 3.44Å; F444-H448 WeakPolarHBondContact O-CB 3.36Å; F444-H448 PolarHBondContact O-N 2.94Å
445Q67.2Low66.4Low120 Ų12056.7 Ų56.756%0.56129%0.291SS*.Hα-helixtrans-61.7-33.3177.5-68.5178.2-8.900112.4K441 S449K441-Q445 WeakPolarHBondContact O-CB 3.27Å; K441-Q445 VanDerWaalsContact O-CD 3.3Å; K441-Q445 WeakPolarHBondContact O-CG 2.98Å; K441-Q445 PolarHBondContact O-N 3Å; K441-Q445 PolarHBondContact O-OE1 3.3Å; Q445-S449 WeakPolarHBondContact O-CB 3.31Å; Q445-S449 PolarHBondContact O-N 2.91Å; Q445-S449 PolarHBondContact O-OG 2.9Å
446L67.7Low67.9Low81 Ų8158 Ų5842%0.42430%0.3SS..Hα-helixtrans-70.1-49.8176.3-172.668.8000112.5F392 K443 F444 S449 S450F392-L446 HydrophobicContact CD1-CD2 4.45Å; F392-L446 HydrophobicContact CE1-CB 4.44Å; F392-L446 HydrophobicContact CE1-CD2 3.85Å; F392-L446 HydrophobicContact CE1-CG 3.7Å; F392-L446 HydrophobicContact CZ-CD2 4.18Å; F392-L446 HydrophobicContact CZ-CG 3.85Å; K443-L446 PolarHBondContact O-N 2.66Å; F444-L446 VanDerWaalsContact C-N 3.26Å; F444-L446 PolarHBondContact O-N 2.81Å; L446-S449 PolarHBondContact O-OG 3.15Å; L446-S450 VanDerWaalsContact O-CB 3.3Å; L446-S450 WeakPolarHBondContact O-CB 3.49Å; L446-S450 PolarHBondContact O-N 3.48Å; L446-S450 VanDerWaalsContact O-N 3.13Å; L446-S450 PolarHBondContact O-OG 3.05Å
447V68.5Low69.2Low5 Ų562.2 Ų62.23%0.0332%0.316CS..Hα-helixtrans-63.1-46.6177.5172.60000110.2Y376 L380 F392 K443 F444 S450 L451Y376-V447 HydrophobicContact CD2-CG1 4.5Å; L380-V447 HydrophobicContact CD1-CG1 4.48Å; F392-V447 HydrophobicContact CD1-CG2 3.86Å; F392-V447 HydrophobicContact CE1-CB 4.43Å; F392-V447 HydrophobicContact CE1-CG2 3.76Å; K443-V447 PolarHBondContact O-N 3.42Å; K443-V447 VanDerWaalsContact O-N 3.1Å; F444-V447 PolarHBondContact O-N 3.33Å; V447-S450 PolarHBondContact O-N 3.48Å; V447-L451 PolarHBondContact O-N 3.49Å
448H73.4Confident70.8Confident40 Ų4064 Ų6419%0.18532%0.315CS..Hα-helixtrans-65.1-49.1-178.2-179.5-89.4000112.3Y376 F444 S450 L451 W452 E639 S640 V641Y376-H448 AromaticContact CE2-CD2 3.9Å; F444-H448 WeakPolarHBondContact O-CA 3.44Å; F444-H448 WeakPolarHBondContact O-CB 3.36Å; F444-H448 PolarHBondContact O-N 2.94Å; H448-S450 PolarHBondContact O-N 3.48Å; H448-L451 PolarHBondContact O-N 2.74Å; H448-W452 AromaticContact CE1-CD2 3.94Å; H448-W452 AromaticContact CE1-CG 3.81Å; H448-W452 VanDerWaalsContact O-CB 3.29Å; H448-W452 WeakPolarHBondContact O-CB 3.43Å; H448-W452 PolarHBondContact O-N 3.34Å; H448-E639 PolarHBondContact CE1-O 3.21Å; H448-S640 VanDerWaalsContact CE1-CA 3.47Å; H448-S640 WeakPolarHBondContact CE1-CA 3.2Å; H448-S640 WeakPolarHBondContact NE2-CA 3.32Å; H448-S640 VanDerWaalsContact NE2-CB 3.27Å; H448-S640 WeakPolarHBondContact NE2-CB 3.49Å; H448-V641 WeakPolarHBondContact NE2-CG2 3.18Å; H448-V641 PolarHBondContact NE2-N 2.84Å
449S73.9Confident72.2Confident45 Ų4561.6 Ų61.632%0.31530%0.301SS..Hα-helixtrans-64.7-25.7176.964.10000112.9Q445 L446 Q453Q445-S449 WeakPolarHBondContact O-CB 3.31Å; Q445-S449 PolarHBondContact O-N 2.91Å; Q445-S449 PolarHBondContact O-OG 2.9Å; L446-S449 PolarHBondContact O-OG 3.15Å; S449-Q453 WeakPolarHBondContact O-CB 3.37Å; S449-Q453 WeakPolarHBondContact O-CG 3.25Å; S449-Q453 PolarHBondContact O-N 3.36Å; S449-Q453 PolarHBondContact O-NE2 2.83Å
450S74.4Confident73.9Confident29 Ų2961.4 Ų61.420%0.20330%0.302CS..Hα-helixtrans-78.2-40.5175.5-590000112.1F392 L446 V447 H448 Q453 Y454F392-S450 WeakPolarHBondContact CZ-OG 3.42Å; L446-S450 VanDerWaalsContact O-CB 3.3Å; L446-S450 WeakPolarHBondContact O-CB 3.49Å; L446-S450 PolarHBondContact O-N 3.48Å; L446-S450 VanDerWaalsContact O-N 3.13Å; L446-S450 PolarHBondContact O-OG 3.05Å; V447-S450 PolarHBondContact O-N 3.48Å; H448-S450 PolarHBondContact O-N 3.48Å; S450-Q453 PolarHBondContact O-N 2.99Å; S450-Y454 WeakPolarHBondContact O-CB 3.23Å; S450-Y454 PolarHBondContact O-N 3.39Å
451L79.8Confident75.5Confident2 Ų258.7 Ų58.71%0.0128%0.283CS..Hα-helixtrans-65-40.6171.1-167.877.1000111.5Y376 V379 L380 V447 H448 Y454 Y455 V641Y376-L451 HydrophobicContact CD1-CD2 3.29Å; Y376-L451 HydrophobicContact CD2-CD2 4.15Å; Y376-L451 HydrophobicContact CE1-CD2 3.78Å; Y376-L451 HydrophobicContact CG-CD2 3.48Å; Y376-L451 VanDerWaalsContact CG-CD2 3.48Å; V379-L451 HydrophobicContact CB-CD1 4.07Å; V379-L451 HydrophobicContact CG1-CD1 3.82Å; L380-L451 HydrophobicContact CD1-CB 4.4Å; L380-L451 HydrophobicContact CD2-CD1 4.09Å; L380-L451 HydrophobicContact CG-CD1 3.85Å; V447-L451 PolarHBondContact O-N 3.49Å; H448-L451 PolarHBondContact O-N 2.74Å; L451-Y454 WeakPolarHBondContact O-CB 3.38Å; L451-Y454 PolarHBondContact O-N 2.97Å; L451-Y455 HydrophobicContact CD1-CD2 4.26Å; L451-Y455 HydrophobicContact CD1-CE2 3.81Å; L451-Y455 HydrophobicContact CD2-CE2 4.2Å; L451-Y455 HydrophobicContact CG-CD2 3.91Å; L451-Y455 HydrophobicContact CG-CE2 3.82Å; L451-Y455 WeakPolarHBondContact O-CD2 3.14Å; L451-Y455 PolarHBondContact O-N 3.03Å; L451-V641 HydrophobicContact CD2-CB 3.96Å; L451-V641 HydrophobicContact CD2-CG1 4.03Å; L451-V641 HydrophobicContact CD2-CG2 3.79Å; L451-V641 HydrophobicContact CG-CG2 4.04Å
452W83Confident76.9Confident65 Ų6555.6 Ų55.625%0.24627%0.272CS..Hα-helixtrans-61.3-46.2173.8-176.1-110.4000111.7H448 Y454 Y455 V456 V638 V641 L644H448-W452 AromaticContact CE1-CD2 3.94Å; H448-W452 AromaticContact CE1-CG 3.81Å; H448-W452 VanDerWaalsContact O-CB 3.29Å; H448-W452 WeakPolarHBondContact O-CB 3.43Å; H448-W452 PolarHBondContact O-N 3.34Å; W452-Y454 VanDerWaalsContact C-N 3.31Å; W452-Y454 PolarHBondContact O-N 3.19Å; W452-Y455 PolarHBondContact O-N 3.06Å; W452-V456 HydrophobicContact CD2-CG2 3.79Å; W452-V456 HydrophobicContact CE3-CG2 3.99Å; W452-V456 HydrophobicContact CG-CG2 4.4Å; W452-V456 HydrophobicContact CH2-CG2 4.04Å; W452-V456 HydrophobicContact CZ2-CG2 3.84Å; W452-V456 HydrophobicContact CZ3-CG2 4.12Å; W452-V456 VanDerWaalsContact O-CB 3.32Å; W452-V456 WeakPolarHBondContact O-CB 3.14Å; W452-V456 WeakPolarHBondContact O-CG2 3.46Å; W452-V456 PolarHBondContact O-N 3.07Å; W452-V638 HydrophobicContact CH2-CB 4.13Å; W452-V638 HydrophobicContact CH2-CG1 3.64Å; W452-V638 VanDerWaalsContact CH2-O 3.24Å; W452-V638 WeakPolarHBondContact CH2-O 3.47Å; W452-V638 WeakPolarHBondContact CZ2-O 3.43Å; W452-V638 HydrophobicContact CZ3-CG1 3.76Å; W452-V641 HydrophobicContact CE3-CG2 4.02Å; W452-L644 HydrophobicContact CZ3-CB 4.45Å
453Q81.5Confident78.2Confident83 Ų8351.4 Ų51.439%0.38826%0.257SS..Hα-helixtrans-62-38172.9-77.3-176.685.600112.4S449 S450 K457 N458S449-Q453 WeakPolarHBondContact O-CB 3.37Å; S449-Q453 WeakPolarHBondContact O-CG 3.25Å; S449-Q453 PolarHBondContact O-N 3.36Å; S449-Q453 PolarHBondContact O-NE2 2.83Å; S450-Q453 PolarHBondContact O-N 2.99Å; Q453-K457 HydrophobicContact CB-CD 4.34Å; Q453-K457 HydrophobicContact CG-CD 4.07Å; Q453-K457 WeakPolarHBondContact O-CA 3.11Å; Q453-K457 VanDerWaalsContact O-CB 3.23Å; Q453-K457 WeakPolarHBondContact O-CB 3.06Å; Q453-K457 PolarHBondContact O-N 3.09Å; Q453-N458 PolarHBondContact O-N 3.15Å
454Y83.2Confident79.5Confident29 Ų2947.4 Ų47.411%0.11424%0.24CC..Iπ-helixtrans-61.4-51.9175.3-177.2-99.6000111.8L380 C383 T384 S450 L451 W452 N458 L459 A555L380-Y454 HydrophobicContact CD2-CG 4.43Å; C383-Y454 HydrophobicContact CB-CE1 3.84Å; C383-Y454 HydrophobicContact CB-CE2 4.22Å; C383-Y454 WeakPolarHBondContact CB-OH 3.33Å; T384-Y454 HydrophobicContact CG2-CD2 3.9Å; T384-Y454 HydrophobicContact CG2-CE2 4.01Å; S450-Y454 WeakPolarHBondContact O-CB 3.23Å; S450-Y454 PolarHBondContact O-N 3.39Å; L451-Y454 WeakPolarHBondContact O-CB 3.38Å; L451-Y454 PolarHBondContact O-N 2.97Å; W452-Y454 VanDerWaalsContact C-N 3.31Å; W452-Y454 PolarHBondContact O-N 3.19Å; Y454-N458 HydrophobicContact CD2-CB 4.21Å; Y454-N458 HydrophobicContact CE2-CB 4.44Å; Y454-N458 WeakPolarHBondContact O-CA 3.37Å; Y454-N458 VanDerWaalsContact O-CB 3.31Å; Y454-N458 WeakPolarHBondContact O-CB 3.44Å; Y454-N458 PolarHBondContact O-N 3.23Å; Y454-N458 VanDerWaalsContact O-N 3.15Å; Y454-L459 HydrophobicContact CD1-CD1 4Å; Y454-L459 HydrophobicContact CD1-CG 4.36Å; Y454-L459 HydrophobicContact CE1-CD1 3.34Å; Y454-L459 HydrophobicContact CE1-CD2 4.45Å; Y454-L459 HydrophobicContact CE1-CG 3.78Å; Y454-L459 PolarHBondContact O-N 3.01Å; Y454-A555 HydrophobicContact CE1-CB 4.15Å
455Y85.7Confident80.7Confident2 Ų246.2 Ų46.21%0.00824%0.235CC..Iπ-helixtrans-68.9-43.7179.7-80.6-69.6000113.9V379 L451 W452 L459 D460 V461 A555 I559 V641V379-Y455 HydrophobicContact CG1-CE2 4.42Å; L451-Y455 HydrophobicContact CD1-CD2 4.26Å; L451-Y455 HydrophobicContact CD1-CE2 3.81Å; L451-Y455 HydrophobicContact CD2-CE2 4.2Å; L451-Y455 HydrophobicContact CG-CD2 3.91Å; L451-Y455 HydrophobicContact CG-CE2 3.82Å; L451-Y455 WeakPolarHBondContact O-CD2 3.14Å; L451-Y455 PolarHBondContact O-N 3.03Å; W452-Y455 PolarHBondContact O-N 3.06Å; Y455-L459 HydrophobicContact CD1-CD1 3.69Å; Y455-L459 HydrophobicContact CE1-CD1 3.79Å; Y455-L459 CarbonylContact O-C 3.58Å; Y455-D460 PolarHBondContact O-N 3.2Å; Y455-D460 VanDerWaalsContact O-N 3.12Å; Y455-V461 WeakPolarHBondContact O-CG1 3.25Å; Y455-V461 PolarHBondContact O-N 3.22Å; Y455-A555 HydrophobicContact CE1-CB 4.23Å; Y455-A555 WeakPolarHBondContact CE1-O 3.41Å; Y455-A555 PolarHBondContact OH-O 3.1Å; Y455-A555 VanDerWaalsContact OH-O 3.1Å; Y455-I559 HydrophobicContact CD1-CD1 4.37Å; Y455-I559 HydrophobicContact CD1-CG1 3.79Å; Y455-I559 HydrophobicContact CE1-CD1 3.94Å; Y455-I559 HydrophobicContact CE1-CG1 3.42Å; Y455-I559 VanDerWaalsContact CE1-CG1 3.42Å; Y455-I559 HydrophobicContact CE2-CD1 4.09Å; Y455-I559 HydrophobicContact CE2-CG1 4.47Å; Y455-I559 HydrophobicContact CG-CG1 4.47Å; Y455-V641 HydrophobicContact CD2-CG1 3.75Å; Y455-V641 HydrophobicContact CD2-CG2 3.94Å; Y455-V641 HydrophobicContact CE2-CG1 3.72Å
456V84.7Confident81.6Confident36 Ų3642.1 Ų42.122%0.21822%0.22CC..Iπ-helixtrans-85.9-36.8-172-1790000112.7W452 V461 L462W452-V456 HydrophobicContact CD2-CG2 3.79Å; W452-V456 HydrophobicContact CE3-CG2 3.99Å; W452-V456 HydrophobicContact CG-CG2 4.4Å; W452-V456 HydrophobicContact CH2-CG2 4.04Å; W452-V456 HydrophobicContact CZ2-CG2 3.84Å; W452-V456 HydrophobicContact CZ3-CG2 4.12Å; W452-V456 VanDerWaalsContact O-CB 3.32Å; W452-V456 WeakPolarHBondContact O-CB 3.14Å; W452-V456 WeakPolarHBondContact O-CG2 3.46Å; W452-V456 PolarHBondContact O-N 3.07Å; V456-V461 HydrophobicContact CG2-CG1 4.22Å; V456-L462 HydrophobicContact CG1-CD1 4.26Å
457K79.9Confident82.4Confident141 Ų14138.4 Ų38.461%0.61320%0.2SC*.Iπ-helixtrans-95.7-40.7-179.7-56.8-178.1179.21730113.7Q453Q453-K457 HydrophobicContact CB-CD 4.34Å; Q453-K457 HydrophobicContact CG-CD 4.07Å; Q453-K457 WeakPolarHBondContact O-CA 3.11Å; Q453-K457 VanDerWaalsContact O-CB 3.23Å; Q453-K457 WeakPolarHBondContact O-CB 3.06Å; Q453-K457 PolarHBondContact O-N 3.09Å
458N82.2Confident83.3Confident115 Ų11538.2 Ų38.262%0.61520%0.199SC*.Iπ-helixtrans-91.2-41.9-173-57.5-10.1000112.4Q453 Y454Q453-N458 PolarHBondContact O-N 3.15Å; Y454-N458 HydrophobicContact CD2-CB 4.21Å; Y454-N458 HydrophobicContact CE2-CB 4.44Å; Y454-N458 WeakPolarHBondContact O-CA 3.37Å; Y454-N458 VanDerWaalsContact O-CB 3.31Å; Y454-N458 WeakPolarHBondContact O-CB 3.44Å; Y454-N458 PolarHBondContact O-N 3.23Å; Y454-N458 VanDerWaalsContact O-N 3.15Å
459L83.3Confident83.9Confident37 Ų3736.4 Ų36.419%0.19419%0.191CC..SBendtrans-91.1-14176.1-66.3-178.7000114.2Y454 Y455 V461 A555 L556Y454-L459 HydrophobicContact CD1-CD1 4Å; Y454-L459 HydrophobicContact CD1-CG 4.36Å; Y454-L459 HydrophobicContact CE1-CD1 3.34Å; Y454-L459 HydrophobicContact CE1-CD2 4.45Å; Y454-L459 HydrophobicContact CE1-CG 3.78Å; Y454-L459 PolarHBondContact O-N 3.01Å; Y455-L459 HydrophobicContact CD1-CD1 3.69Å; Y455-L459 HydrophobicContact CE1-CD1 3.79Å; Y455-L459 CarbonylContact O-C 3.58Å; L459-V461 VanDerWaalsContact C-N 3.29Å; L459-V461 PolarHBondContact O-N 3.39Å; L459-A555 HydrophobicContact CD1-CB 3.67Å; L459-L556 HydrophobicContact CB-CD2 4.21Å; L459-L556 HydrophobicContact CD1-CD2 4.25Å; L459-L556 HydrophobicContact CD1-CG 4.26Å
460D86.8Confident84.4Confident31 Ų3139.5 Ų39.517%0.16620%0.196CC..  trans52.646.3179.1-163.6-4.4000112.3Y455 L462 S463 V464 R521Y455-D460 PolarHBondContact O-N 3.2Å; Y455-D460 VanDerWaalsContact O-N 3.12Å; D460-L462 PolarHBondContact O-N 3.07Å; D460-L462 VanDerWaalsContact O-N 3.12Å; D460-S463 VanDerWaalsContact CG-CB 3.43Å; D460-S463 WeakPolarHBondContact O-CB 3.27Å; D460-S463 PolarHBondContact O-N 3.17Å; D460-S463 WeakPolarHBondContact OD1-CB 3.36Å; D460-S463 PolarHBondContact OD1-N 2.89Å; D460-S463 PolarHBondContact OD1-OG 3.46Å; D460-S463 PolarHBondContact OD2-OG 2.95Å; D460-V464 PolarHBondContact O-N 3.24Å; D460-R521 IonicContact OD2-CZ 2.72Å; D460-R521 IonicContact OD2-NE 2.97Å; D460-R521 PolarHBondContact OD2-NE 3.43Å; D460-R521 IonicContact OD2-NH2 2.67Å; D460-R521 PolarHBondContact OD2-NH2 3.09Å
461V87.9Confident84.9Confident0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-56.3-31.1-172.367.60000113.3Y455 V456 L459 V464 L465 L556 I559 L644Y455-V461 WeakPolarHBondContact O-CG1 3.25Å; Y455-V461 PolarHBondContact O-N 3.22Å; V456-V461 HydrophobicContact CG2-CG1 4.22Å; L459-V461 VanDerWaalsContact C-N 3.29Å; L459-V461 PolarHBondContact O-N 3.39Å; V461-V464 PolarHBondContact O-N 3.08Å; V461-L465 HydrophobicContact CG2-CD1 4.45Å; V461-L465 WeakPolarHBondContact O-CG 3.36Å; V461-L465 PolarHBondContact O-N 2.89Å; V461-L556 HydrophobicContact CB-CD2 4.32Å; V461-L556 HydrophobicContact CG2-CD2 4.07Å; V461-I559 HydrophobicContact CG2-CG2 4.2Å; V461-L644 HydrophobicContact CG1-CD2 3.66Å; V461-L644 HydrophobicContact CG2-CD2 4.13Å
462L87.3Confident85.4Confident61 Ų6138.2 Ų38.232%0.31919%0.187SC..Hα-helixtrans-68.6-36.6176.6-57-177.8000111.9V456 D460 S466 I635 L644V456-L462 HydrophobicContact CG1-CD1 4.26Å; D460-L462 PolarHBondContact O-N 3.07Å; D460-L462 VanDerWaalsContact O-N 3.12Å; L462-S466 WeakPolarHBondContact O-CB 3.36Å; L462-S466 PolarHBondContact O-N 3.26Å; L462-I635 HydrophobicContact CD1-CG2 4.33Å; L462-I635 HydrophobicContact CD2-CD1 4.39Å; L462-I635 HydrophobicContact CD2-CG2 3.86Å; L462-L644 HydrophobicContact CD2-CD1 4.15Å
463S86.1Confident85.6Confident42 Ų4235.4 Ų35.429%0.29418%0.176SC..Hα-helixtrans-73.3-31.5171.7-60.50000112.3D460 S466 D467D460-S463 VanDerWaalsContact CG-CB 3.43Å; D460-S463 WeakPolarHBondContact O-CB 3.27Å; D460-S463 PolarHBondContact O-N 3.17Å; D460-S463 WeakPolarHBondContact OD1-CB 3.36Å; D460-S463 PolarHBondContact OD1-N 2.89Å; D460-S463 PolarHBondContact OD1-OG 3.46Å; D460-S463 PolarHBondContact OD2-OG 2.95Å; S463-S466 PolarHBondContact O-N 3.44Å; S463-D467 WeakPolarHBondContact O-CB 3.3Å; S463-D467 PolarHBondContact O-N 2.78Å
464V88.8Confident85.5Confident3 Ų331.8 Ų31.82%0.01816%0.162CC..Hα-helixtrans-63.5-46.8172.4175.40000110.8D460 V461 D467 C468 R521 L522 L552 L556 I560D460-V464 PolarHBondContact O-N 3.24Å; V461-V464 PolarHBondContact O-N 3.08Å; V464-D467 PolarHBondContact O-N 3.31Å; V464-C468 PolarHBondContact O-N 3.46Å; V464-C468 PolarHBondContact O-SG 3.18Å; V464-C468 VanDerWaalsContact O-SG 3.4Å; V464-R521 HydrophobicContact CG2-CB 3.94Å; V464-L522 HydrophobicContact CG1-CD1 4.19Å; V464-L522 HydrophobicContact CG1-CD2 4.4Å; V464-L552 HydrophobicContact CG1-CD2 4.33Å; V464-L556 HydrophobicContact CG1-CD1 4.4Å; V464-L556 HydrophobicContact CG2-CD1 4.1Å; V464-L556 HydrophobicContact CG2-CD2 4.35Å; V464-I560 HydrophobicContact CG1-CD1 3.92Å
465L88.9Confident84.7Confident3 Ų335 Ų352%0.01617%0.173CC..Hα-helixtrans-60.7-44.2174-70.7167.3000111.5V461 D467 C468 D469 I560 F631 L644 H648V461-L465 HydrophobicContact CG2-CD1 4.45Å; V461-L465 WeakPolarHBondContact O-CG 3.36Å; V461-L465 PolarHBondContact O-N 2.89Å; L465-D467 VanDerWaalsContact C-N 3.3Å; L465-D467 PolarHBondContact O-N 3.16Å; L465-C468 WeakPolarHBondContact O-CB 3.39Å; L465-C468 PolarHBondContact O-N 3.04Å; L465-C468 VanDerWaalsContact O-N 3.16Å; L465-D469 PolarHBondContact O-N 2.79Å; L465-I560 HydrophobicContact CD2-CD1 3.72Å; L465-I560 HydrophobicContact CD2-CG1 4.02Å; L465-I560 HydrophobicContact CG-CD1 4.29Å; L465-F631 HydrophobicContact CD1-CZ 4.21Å; L465-L644 HydrophobicContact CD1-CD1 4.39Å; L465-H648 WeakPolarHBondContact CD2-CD2 3.47Å; L465-H648 WeakPolarHBondContact CD2-NE2 3.14Å
466S85.8Confident83.4Confident34 Ų3438.2 Ų38.224%0.23819%0.191CC..Hα-helixtrans-65.4-29.3175.5-176.60000113.6L462 S463 R470L462-S466 WeakPolarHBondContact O-CB 3.36Å; L462-S466 PolarHBondContact O-N 3.26Å; S463-S466 PolarHBondContact O-N 3.44Å; S466-R470 WeakPolarHBondContact O-CD 3.49Å; S466-R470 VanDerWaalsContact O-CG 3.28Å; S466-R470 WeakPolarHBondContact O-CG 3.24Å; S466-R470 PolarHBondContact O-N 3.44Å
467D85.9Confident81.6Confident3 Ų344.6 Ų44.62%0.01622%0.216CC..Hα-helixtrans-71.1-43.5170.6-83-7.6000110.3S463 V464 L465 D469 R470 I471 R520 R521 L522S463-D467 WeakPolarHBondContact O-CB 3.3Å; S463-D467 PolarHBondContact O-N 2.78Å; V464-D467 PolarHBondContact O-N 3.31Å; L465-D467 VanDerWaalsContact C-N 3.3Å; L465-D467 PolarHBondContact O-N 3.16Å; D467-D469 PolarHBondContact O-N 3.17Å; D467-R470 WeakPolarHBondContact O-CB 3.4Å; D467-R470 PolarHBondContact O-N 3.08Å; D467-R470 VanDerWaalsContact O-N 3.13Å; D467-R470 IonicContact OD1-CZ 2.83Å; D467-R470 IonicContact OD1-NH1 3.29Å; D467-R470 PolarHBondContact OD1-NH1 2.83Å; D467-I471 WeakPolarHBondContact O-CD1 3.26Å; D467-I471 WeakPolarHBondContact O-CG1 3.21Å; D467-I471 PolarHBondContact O-N 3.28Å; D467-I471 VanDerWaalsContact O-N 3.13Å; D467-R520 PolarHBondContact OD2-N 2.86Å; D467-R521 PolarHBondContact OD2-N 3.21Å; D467-L522 HydrophobicContact CB-CB 4.02Å; D467-L522 PolarHBondContact OD2-N 2.86Å
468C87.6Confident80Confident1 Ų142 Ų421%0.00722%0.221CC..Hα-helixtrans-51.8-51172-690000112.1V464 L465 R470 I471 F472 L522 Y568V464-C468 PolarHBondContact O-N 3.46Å; V464-C468 PolarHBondContact O-SG 3.18Å; V464-C468 VanDerWaalsContact O-SG 3.4Å; L465-C468 WeakPolarHBondContact O-CB 3.39Å; L465-C468 PolarHBondContact O-N 3.04Å; L465-C468 VanDerWaalsContact O-N 3.16Å; C468-R470 VanDerWaalsContact C-N 3.26Å; C468-R470 PolarHBondContact O-N 3.07Å; C468-I471 PolarHBondContact O-N 3.16Å; C468-I471 VanDerWaalsContact O-N 3.08Å; C468-F472 HydrophobicContact CB-CD2 4.2Å; C468-F472 WeakPolarHBondContact O-CD2 3.49Å; C468-F472 PolarHBondContact O-N 2.95Å; C468-L522 WeakPolarHBondContact SG-CD2 3.5Å; C468-Y568 HydrophobicContact CB-CE1 4.28Å; C468-Y568 HydrophobicContact CB-CE2 3.94Å
469D86.1Confident78.5Confident3 Ų339.2 Ų39.22%0.01621%0.21CC..Iπ-helixtrans-60.9-33.3-179.5-62.8-12.5000112.7L465 D467 L473 G474 R475 Y568 F651L465-D469 PolarHBondContact O-N 2.79Å; D467-D469 PolarHBondContact O-N 3.17Å; D469-L473 HydrophobicContact CB-CD1 4.15Å; D469-L473 CarbonylContact O-C 3.59Å; D469-L473 WeakPolarHBondContact O-CA 3.39Å; D469-L473 VanDerWaalsContact O-CB 3.29Å; D469-L473 WeakPolarHBondContact O-CB 3.13Å; D469-L473 PolarHBondContact O-N 3.37Å; D469-L473 VanDerWaalsContact O-N 3.13Å; D469-G474 PolarHBondContact O-N 2.56Å; D469-R475 IonicContact OD2-NH1 3.91Å; D469-Y568 PolarHBondContact OD1-OH 2.74Å; D469-F651 WeakPolarHBondContact OD1-CE1 3.45Å
470R83.7Confident77.7Confident110 Ų11037.7 Ų37.742%0.41520%0.202SC..Iπ-helixtrans-69.9-34.6175.9-72166179.9139.47.3112.8S466 D467 C468S466-R470 WeakPolarHBondContact O-CD 3.49Å; S466-R470 VanDerWaalsContact O-CG 3.28Å; S466-R470 WeakPolarHBondContact O-CG 3.24Å; S466-R470 PolarHBondContact O-N 3.44Å; D467-R470 WeakPolarHBondContact O-CB 3.4Å; D467-R470 PolarHBondContact O-N 3.08Å; D467-R470 VanDerWaalsContact O-N 3.13Å; D467-R470 IonicContact OD1-CZ 2.83Å; D467-R470 IonicContact OD1-NH1 3.29Å; D467-R470 PolarHBondContact OD1-NH1 2.83Å; C468-R470 VanDerWaalsContact C-N 3.26Å; C468-R470 PolarHBondContact O-N 3.07Å
471I85.5Confident77.5Confident3 Ų336.4 Ų36.42%0.01520%0.195CC..Iπ-helixtrans-81.4-52.8-177-57.7149.2000110.8D467 C468 C519 L522 T524 P548 V550D467-I471 WeakPolarHBondContact O-CD1 3.26Å; D467-I471 WeakPolarHBondContact O-CG1 3.21Å; D467-I471 PolarHBondContact O-N 3.28Å; D467-I471 VanDerWaalsContact O-N 3.13Å; C468-I471 PolarHBondContact O-N 3.16Å; C468-I471 VanDerWaalsContact O-N 3.08Å; I471-C519 VanDerWaalsContact CG1-SG 3.54Å; I471-L522 HydrophobicContact CD1-CD2 3.98Å; I471-T524 HydrophobicContact CD1-CG2 3.37Å; I471-T524 HydrophobicContact CG1-CG2 4.17Å; I471-P548 HydrophobicContact CG2-CB 3.46Å; I471-P548 VanDerWaalsContact CG2-CB 3.46Å; I471-P548 HydrophobicContact CG2-CG 4.03Å; I471-V550 HydrophobicContact CD1-CG1 4.5Å
472F89.1Confident77.4Confident1 Ų137.3 Ų37.30%0.00420%0.199CC..Iπ-helixtrans-87.7-37.3-170.4-67.2-77.8000112.9C468 P548 V550 V565 Y568 E569 W572C468-F472 HydrophobicContact CB-CD2 4.2Å; C468-F472 WeakPolarHBondContact O-CD2 3.49Å; C468-F472 PolarHBondContact O-N 2.95Å; F472-P548 HydrophobicContact CD1-CG 3.79Å; F472-P548 HydrophobicContact CE1-CB 4.31Å; F472-P548 HydrophobicContact CE1-CG 3.62Å; F472-P548 HydrophobicContact CZ-CG 4.42Å; F472-V550 HydrophobicContact CE2-CG1 3.84Å; F472-V550 HydrophobicContact CZ-CG1 3.95Å; F472-V550 HydrophobicContact CZ-CG2 4.41Å; F472-V565 HydrophobicContact CZ-CG1 4.39Å; F472-Y568 HydrophobicContact CB-CD1 3.55Å; F472-Y568 HydrophobicContact CB-CE1 4.28Å; F472-Y568 HydrophobicContact CB-CG 4.17Å; F472-Y568 WeakPolarHBondContact CD1-O 3.42Å; F472-Y568 AromaticContact CD2-CD1 3.85Å; F472-Y568 HydrophobicContact CD2-CD1 3.85Å; F472-Y568 HydrophobicContact CD2-CD2 4.34Å; F472-Y568 HydrophobicContact CD2-CE1 4.43Å; F472-Y568 AromaticContact CD2-CG 3.8Å; F472-Y568 HydrophobicContact CD2-CG 3.8Å; F472-Y568 HydrophobicContact CE2-CG 4.26Å; F472-Y568 AromaticContact CG-CD1 3.85Å; F472-Y568 HydrophobicContact CG-CD1 3.85Å; F472-Y568 AromaticContact CG-CG 3.95Å; F472-Y568 HydrophobicContact CG-CG 3.95Å; F472-E569 HydrophobicContact CE1-CG 4.05Å; F472-W572 HydrophobicContact CB-CB 4.29Å; F472-W572 HydrophobicContact CD1-CB 3.95Å; F472-W572 HydrophobicContact CD1-CG 4.37Å; F472-W572 WeakPolarHBondContact O-CB 3.47Å
473L88.1Confident77.5Confident5 Ų536.3 Ų36.33%0.02620%0.196CC..Iπ-helixtrans-101.7-27.7-173.8-47178.2000113D469 Y568 I571 I624 F651 I655D469-L473 HydrophobicContact CB-CD1 4.15Å; D469-L473 CarbonylContact O-C 3.59Å; D469-L473 WeakPolarHBondContact O-CA 3.39Å; D469-L473 VanDerWaalsContact O-CB 3.29Å; D469-L473 WeakPolarHBondContact O-CB 3.13Å; D469-L473 PolarHBondContact O-N 3.37Å; D469-L473 VanDerWaalsContact O-N 3.13Å; L473-Y568 HydrophobicContact CD1-CE1 4.22Å; L473-Y568 HydrophobicContact CD2-CD1 4.25Å; L473-Y568 HydrophobicContact CD2-CE1 4.34Å; L473-Y568 HydrophobicContact CG-CD1 4.47Å; L473-Y568 HydrophobicContact CG-CE1 4.18Å; L473-I571 HydrophobicContact CD2-CB 4.41Å; L473-I571 HydrophobicContact CD2-CG2 3.5Å; L473-I624 HydrophobicContact CB-CG2 3.95Å; L473-I624 HydrophobicContact CD1-CG2 4.41Å; L473-F651 HydrophobicContact CD1-CE1 4.48Å; L473-F651 HydrophobicContact CD1-CZ 3.91Å; L473-I655 HydrophobicContact CD1-CD1 3.54Å; L473-I655 HydrophobicContact CD2-CD1 4.12Å
474G78Confident77.6Confident8 Ų834.7 Ų34.78%0.08218%0.184CC..  trans66.738.4177.200000114.3D469 D476 T480D469-G474 PolarHBondContact O-N 2.56Å; G474-D476 PolarHBondContact O-N 2.81Å; G474-T480 PolarHBondContact O-OG1 3.18Å
475R67.5Low77.7Confident95 Ų9534.6 Ų34.636%0.35818%0.183SC..  trans-42.1-9.6-174.6-175.5173.1173.2166.64.1120.1D469 C628D469-R475 IonicContact OD2-NH1 3.91Å; R475-C628 HydrophobicContact CG-CB 4.47Å; R475-C628 PolarHBondContact NH2-O 3.05Å
476D57.4Low77.9Confident71 Ų7137.1 Ų37.138%0.3820%0.195SC..  trans-146.8122.9-175.5166.115.6000111.1G474 A478 S479 T480G474-D476 PolarHBondContact O-N 2.81Å; D476-A478 PolarHBondContact O-N 2.91Å; D476-A478 VanDerWaalsContact O-N 3.15Å; D476-A478 PolarHBondContact OD1-N 3.13Å; D476-S479 PolarHBondContact O-N 3.25Å; D476-S479 WeakPolarHBondContact OD2-CB 3.29Å; D476-S479 PolarHBondContact OD2-N 3.3Å; D476-S479 PolarHBondContact OD2-OG 2.75Å; D476-T480 HydrophobicContact CB-CG2 3.94Å; D476-T480 WeakPolarHBondContact O-CB 2.84Å; D476-T480 WeakPolarHBondContact O-CG2 3.47Å; D476-T480 PolarHBondContact O-N 3.29Å; D476-T480 PolarHBondContact O-OG1 2.85Å
477K48.2Very low78.1Confident169 Ų16942.1 Ų42.174%0.73522%0.215SC*.THydrogen-bonded Turntrans-63.9-16.6-176.6-61.1-172178.6-173.10113.7P483K477-P483 WeakPolarHBondContact O-CG 3.21Å
478A45.4Very low78.4Confident87 Ų8742.2 Ų42.272%0.71922%0.215SC*.THydrogen-bonded Turntrans-102-32.8179.100000114.5D476D476-A478 PolarHBondContact O-N 2.91Å; D476-A478 VanDerWaalsContact O-N 3.15Å; D476-A478 PolarHBondContact OD1-N 3.13Å
479S50.7Low78.6Confident56 Ų5642.1 Ų42.139%0.39222%0.215SC..THydrogen-bonded Turntrans-109.3-1.7-16973.80000116.7D476 K518D476-S479 PolarHBondContact O-N 3.25Å; D476-S479 WeakPolarHBondContact OD2-CB 3.29Å; D476-S479 PolarHBondContact OD2-N 3.3Å; D476-S479 PolarHBondContact OD2-OG 2.75Å; S479-K518 WeakPolarHBondContact O-CD 3.49Å; S479-K518 WeakPolarHBondContact O-CE 3.39Å; S479-K518 PolarHBondContact O-NZ 3.28Å
480T66Low79Confident5 Ų542 Ų423%0.03121%0.214CC..SBendtrans-102.1-156-163.761.50000115.7G474 D476 K518G474-T480 PolarHBondContact O-OG1 3.18Å; D476-T480 HydrophobicContact CB-CG2 3.94Å; D476-T480 WeakPolarHBondContact O-CB 2.84Å; D476-T480 WeakPolarHBondContact O-CG2 3.47Å; D476-T480 PolarHBondContact O-N 3.29Å; D476-T480 PolarHBondContact O-OG1 2.85Å; T480-K518 PolarHBondContact O-NZ 3.41Å
481I83.2Confident79.5Confident4 Ų437.8 Ų37.82%0.02120%0.201CC..SBendtrans-79.6-33.5-176.6-170.8165.9000112.7I484 F485 I515 F526I481-I484 WeakPolarHBondContact O-CB 3.35Å; I481-I484 PolarHBondContact O-N 3.1Å; I481-F485 HydrophobicContact CD1-CE1 4.12Å; I481-F485 HydrophobicContact CD1-CE2 3.91Å; I481-F485 HydrophobicContact CD1-CZ 3.61Å; I481-F485 HydrophobicContact CG1-CD1 4.11Å; I481-F485 HydrophobicContact CG1-CD2 4.19Å; I481-F485 HydrophobicContact CG1-CE1 3.83Å; I481-F485 HydrophobicContact CG1-CE2 3.91Å; I481-F485 HydrophobicContact CG1-CG 4.29Å; I481-F485 HydrophobicContact CG1-CZ 3.74Å; I481-F485 PolarHBondContact O-N 3.5Å; I481-I515 HydrophobicContact CD1-CD1 4.17Å; I481-I515 HydrophobicContact CG1-CD1 3.88Å; I481-I515 HydrophobicContact CG1-CG1 4.39Å; I481-F526 HydrophobicContact CD1-CE1 4.43Å; I481-F526 HydrophobicContact CD1-CZ 3.97Å
482W87.3Confident79.9Confident19 Ų1938.1 Ų38.17%0.07220%0.203CC..Hα-helixtrans-63.9-48.1-173.5-50.4127.9000113.2I484 F485 E486 F490 W572 L575 C576 N579W482-I484 VanDerWaalsContact C-N 3.26Å; W482-I484 PolarHBondContact O-N 3.45Å; W482-F485 HydrophobicContact CE3-CD2 4.12Å; W482-F485 HydrophobicContact CZ3-CD2 4.06Å; W482-F485 HydrophobicContact CZ3-CE2 4.3Å; W482-F485 CarbonylContact O-C 3.58Å; W482-F485 WeakPolarHBondContact O-CA 3.32Å; W482-F485 PolarHBondContact O-N 3.47Å; W482-E486 WeakPolarHBondContact O-CG 3.44Å; W482-E486 PolarHBondContact O-N 2.94Å; W482-F490 HydrophobicContact CE3-CZ 4.42Å; W482-W572 AromaticContact CH2-CD1 3.79Å; W482-W572 AromaticContact CH2-NE1 3.84Å; W482-L575 HydrophobicContact CH2-CB 3.77Å; W482-L575 HydrophobicContact CZ2-CB 3.5Å; W482-L575 VanDerWaalsContact CZ2-CB 3.5Å; W482-L575 HydrophobicContact CZ2-CD1 4.22Å; W482-L575 HydrophobicContact CZ2-CG 4.48Å; W482-C576 HydrophobicContact CH2-CB 4.07Å; W482-C576 HydrophobicContact CZ3-CB 3.85Å; W482-N579 HydrophobicContact CD2-CB 4.39Å; W482-N579 HydrophobicContact CE3-CB 4.36Å
483P87.8Confident80Confident40 Ų4038.1 Ų38.126%0.2620%0.203SC..Hα-helixtrans-61.1-34.5176.3-23.735.2000113.2K477 F485 E486 E487K477-P483 WeakPolarHBondContact O-CG 3.21Å; P483-F485 VanDerWaalsContact C-N 3.34Å; P483-E486 PolarHBondContact O-N 2.88Å; P483-E487 PolarHBondContact O-N 2.89Å
484I88.8Confident80.2Confident9 Ų938.1 Ų38.15%0.04620%0.204CC..Hα-helixtrans-63.1-44.1174.2-62.1178.5000109.8I481 W482 E487 S488 A511 Q514 I515 K518I481-I484 WeakPolarHBondContact O-CB 3.35Å; I481-I484 PolarHBondContact O-N 3.1Å; W482-I484 VanDerWaalsContact C-N 3.26Å; W482-I484 PolarHBondContact O-N 3.45Å; I484-E487 PolarHBondContact O-N 2.97Å; I484-S488 VanDerWaalsContact O-CB 3.31Å; I484-S488 WeakPolarHBondContact O-CB 3.37Å; I484-S488 PolarHBondContact O-N 3.31Å; I484-S488 PolarHBondContact O-OG 3.27Å; I484-A511 HydrophobicContact CG2-CB 3.41Å; I484-A511 VanDerWaalsContact CG2-CB 3.41Å; I484-Q514 HydrophobicContact CD1-CB 3.89Å; I484-I515 HydrophobicContact CD1-CG1 3.78Å; I484-I515 HydrophobicContact CG2-CD1 4.2Å; I484-I515 HydrophobicContact CG2-CG1 4.35Å; I484-K518 HydrophobicContact CD1-CD 4.22Å
485F91.3Very high80.8Confident1 Ų143 Ų430%0.00423%0.228CC..Hα-helixtrans-69.4-35.5178.3-77.74.5000113.1I481 W482 P483 E487 S488 L489 F490 I515 F526 W572I481-F485 HydrophobicContact CD1-CE1 4.12Å; I481-F485 HydrophobicContact CD1-CE2 3.91Å; I481-F485 HydrophobicContact CD1-CZ 3.61Å; I481-F485 HydrophobicContact CG1-CD1 4.11Å; I481-F485 HydrophobicContact CG1-CD2 4.19Å; I481-F485 HydrophobicContact CG1-CE1 3.83Å; I481-F485 HydrophobicContact CG1-CE2 3.91Å; I481-F485 HydrophobicContact CG1-CG 4.29Å; I481-F485 HydrophobicContact CG1-CZ 3.74Å; I481-F485 PolarHBondContact O-N 3.5Å; W482-F485 HydrophobicContact CE3-CD2 4.12Å; W482-F485 HydrophobicContact CZ3-CD2 4.06Å; W482-F485 HydrophobicContact CZ3-CE2 4.3Å; W482-F485 CarbonylContact O-C 3.58Å; W482-F485 WeakPolarHBondContact O-CA 3.32Å; W482-F485 PolarHBondContact O-N 3.47Å; P483-F485 VanDerWaalsContact C-N 3.34Å; F485-E487 VanDerWaalsContact C-N 3.26Å; F485-E487 PolarHBondContact O-N 3.4Å; F485-S488 PolarHBondContact O-N 3.4Å; F485-L489 HydrophobicContact CB-CB 4.15Å; F485-L489 HydrophobicContact CD1-CB 4.09Å; F485-L489 HydrophobicContact CD1-CD2 4.18Å; F485-L489 HydrophobicContact CD2-CD2 3.75Å; F485-L489 HydrophobicContact CE1-CD2 4.16Å; F485-L489 HydrophobicContact CE2-CD2 3.74Å; F485-L489 HydrophobicContact CG-CB 4.07Å; F485-L489 HydrophobicContact CG-CD2 3.96Å; F485-L489 HydrophobicContact CZ-CD2 3.94Å; F485-L489 PolarHBondContact O-N 2.84Å; F485-F490 HydrophobicContact CB-CD1 4.2Å; F485-F490 HydrophobicContact CB-CD2 4.38Å; F485-F490 HydrophobicContact CB-CE1 3.92Å; F485-F490 HydrophobicContact CB-CE2 4.12Å; F485-F490 HydrophobicContact CB-CG 4.42Å; F485-F490 HydrophobicContact CB-CZ 3.89Å; F485-F490 HydrophobicContact CD2-CE1 4.07Å; F485-F490 HydrophobicContact CD2-CZ 4.26Å; F485-F490 HydrophobicContact CG-CE1 4.46Å; F485-F490 PolarHBondContact O-N 2.8Å; F485-I515 HydrophobicContact CD1-CD1 4.3Å; F485-I515 HydrophobicContact CE1-CD1 3.67Å; F485-I515 HydrophobicContact CZ-CD1 4.47Å; F485-F526 HydrophobicContact CE1-CZ 4.44Å; F485-F526 AromaticContact CZ-CE1 3.97Å; F485-F526 HydrophobicContact CZ-CE1 3.97Å; F485-F526 HydrophobicContact CZ-CZ 4.13Å; F485-W572 AromaticContact CE2-CZ2 3.76Å; F485-W572 HydrophobicContact CE2-CZ2 3.76Å; F485-W572 HydrophobicContact CZ-CZ2 4.08Å
486E92Very high81.7Confident56 Ų5644.4 Ų44.426%0.26223%0.234SC..Hα-helixtrans-57.9-35.7172-69.5-172.5-134.800111.9W482 P483 F490 P491 W583 K586W482-E486 WeakPolarHBondContact O-CG 3.44Å; W482-E486 PolarHBondContact O-N 2.94Å; P483-E486 PolarHBondContact O-N 2.88Å; E486-F490 HydrophobicContact CB-CD2 4.5Å; E486-F490 HydrophobicContact CG-CD2 4.03Å; E486-F490 HydrophobicContact CG-CE2 4.2Å; E486-P491 WeakPolarHBondContact O-CD 3.38Å; E486-P491 WeakPolarHBondContact O-CG 3.43Å; E486-W583 HydrophobicContact CB-CG 4.45Å; E486-W583 HydrophobicContact CG-CB 4.31Å; E486-W583 HydrophobicContact CG-CG 3.95Å; E486-W583 PolarHBondContact O-NE1 3.2Å; E486-W583 VanDerWaalsContact OE2-CD1 3.31Å; E486-K586 IonicContact OE2-NZ 2.74Å; E486-K586 PolarHBondContact OE2-NZ 3.33Å
487E90.4Very high83.2Confident138 Ų13843.3 Ų43.365%0.64523%0.228SC*.Hα-helixtrans-84.4-28.1177.9-68-176.9175.900114.2P483 I484 F485 R507P483-E487 PolarHBondContact O-N 2.89Å; I484-E487 PolarHBondContact O-N 2.97Å; F485-E487 VanDerWaalsContact C-N 3.26Å; F485-E487 PolarHBondContact O-N 3.4Å; E487-R507 PolarHBondContact O-NH1 3.37Å
488S92.2Very high85Confident5 Ų539.2 Ų39.24%0.03521%0.211CC..Hα-helixtrans-119.7-50-164.665.70000116.5I484 F485 L492 A511I484-S488 VanDerWaalsContact O-CB 3.31Å; I484-S488 WeakPolarHBondContact O-CB 3.37Å; I484-S488 PolarHBondContact O-N 3.31Å; I484-S488 PolarHBondContact O-OG 3.27Å; F485-S488 PolarHBondContact O-N 3.4Å; S488-L492 WeakPolarHBondContact O-CD1 3.3Å; S488-L492 VanDerWaalsContact O-CG 3.3Å; S488-L492 WeakPolarHBondContact O-CG 3.42Å; S488-A511 WeakPolarHBondContact OG-CB 3.33Å
489L92.2Very high86.8Confident0 Ų035.2 Ų35.20%018%0.177CC..THydrogen-bonded Turntrans-92.5-53-171.6177.658.5000111.2F485 L492 I493 I502 M508 F543 W545 I546F485-L489 HydrophobicContact CB-CB 4.15Å; F485-L489 HydrophobicContact CD1-CB 4.09Å; F485-L489 HydrophobicContact CD1-CD2 4.18Å; F485-L489 HydrophobicContact CD2-CD2 3.75Å; F485-L489 HydrophobicContact CE1-CD2 4.16Å; F485-L489 HydrophobicContact CE2-CD2 3.74Å; F485-L489 HydrophobicContact CG-CB 4.07Å; F485-L489 HydrophobicContact CG-CD2 3.96Å; F485-L489 HydrophobicContact CZ-CD2 3.94Å; F485-L489 PolarHBondContact O-N 2.84Å; L489-L492 PolarHBondContact O-N 3Å; L489-L492 VanDerWaalsContact O-N 3.08Å; L489-I493 HydrophobicContact CD1-CD1 3.79Å; L489-I493 HydrophobicContact CD1-CG1 4.13Å; L489-I493 HydrophobicContact CD2-CD1 4.41Å; L489-I493 HydrophobicContact CG-CD1 3.81Å; L489-I493 HydrophobicContact CG-CG1 4.46Å; L489-I493 PolarHBondContact O-N 2.85Å; L489-I493 VanDerWaalsContact O-N 3.12Å; L489-I502 HydrophobicContact CD1-CG2 3.83Å; L489-M508 VanDerWaalsContact CA-SD 3.57Å; L489-M508 HydrophobicContact CB-CE 4.23Å; L489-M508 HydrophobicContact CB-SD 3.6Å; L489-M508 VanDerWaalsContact CB-SD 3.6Å; L489-M508 HydrophobicContact CD1-CE 3.84Å; L489-M508 HydrophobicContact CD1-SD 3.73Å; L489-M508 HydrophobicContact CG-CE 4.43Å; L489-M508 HydrophobicContact CG-SD 4.22Å; L489-F543 HydrophobicContact CD2-CE1 4.45Å; L489-W545 HydrophobicContact CD1-CH2 4.05Å; L489-W545 HydrophobicContact CD1-CZ2 4.34Å; L489-I546 HydrophobicContact CD2-CD1 4.37Å
490F94.7Very high88.3Confident0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-60.3-39.3-174.2-62.3-16.1000113.4W482 F485 E486 L492 I493 A494 F543 N579 F580 W583W482-F490 HydrophobicContact CE3-CZ 4.42Å; F485-F490 HydrophobicContact CB-CD1 4.2Å; F485-F490 HydrophobicContact CB-CD2 4.38Å; F485-F490 HydrophobicContact CB-CE1 3.92Å; F485-F490 HydrophobicContact CB-CE2 4.12Å; F485-F490 HydrophobicContact CB-CG 4.42Å; F485-F490 HydrophobicContact CB-CZ 3.89Å; F485-F490 HydrophobicContact CD2-CE1 4.07Å; F485-F490 HydrophobicContact CD2-CZ 4.26Å; F485-F490 HydrophobicContact CG-CE1 4.46Å; F485-F490 PolarHBondContact O-N 2.8Å; E486-F490 HydrophobicContact CB-CD2 4.5Å; E486-F490 HydrophobicContact CG-CD2 4.03Å; E486-F490 HydrophobicContact CG-CE2 4.2Å; F490-L492 VanDerWaalsContact C-N 3.33Å; F490-L492 PolarHBondContact O-N 3.03Å; F490-I493 PolarHBondContact O-N 2.35Å; F490-A494 WeakPolarHBondContact O-CB 2.92Å; F490-A494 PolarHBondContact O-N 2.97Å; F490-F543 HydrophobicContact CE1-CE1 4.28Å; F490-F543 HydrophobicContact CE1-CZ 4.33Å; F490-N579 HydrophobicContact CE2-CB 4.32Å; F490-N579 HydrophobicContact CZ-CB 4.33Å; F490-F580 HydrophobicContact CB-CD2 3.78Å; F490-F580 HydrophobicContact CB-CE2 4.17Å; F490-F580 HydrophobicContact CD1-CB 4.1Å; F490-F580 AromaticContact CD1-CD2 3.71Å; F490-F580 HydrophobicContact CD1-CD2 3.71Å; F490-F580 HydrophobicContact CD1-CG 4.31Å; F490-F580 HydrophobicContact CD2-CD2 4.38Å; F490-F580 HydrophobicContact CE1-CB 3.88Å; F490-F580 HydrophobicContact CE1-CD2 4.37Å; F490-F580 HydrophobicContact CE2-CB 4.42Å; F490-F580 HydrophobicContact CG-CB 4.47Å; F490-F580 AromaticContact CG-CD2 3.72Å; F490-F580 HydrophobicContact CG-CD2 3.72Å; F490-F580 HydrophobicContact CZ-CB 4.05Å; F490-W583 HydrophobicContact CB-CD2 3.76Å; F490-W583 HydrophobicContact CB-CE3 3.54Å; F490-W583 HydrophobicContact CB-CG 4.49Å; F490-W583 HydrophobicContact CB-CH2 4.1Å; F490-W583 HydrophobicContact CB-CZ2 4.26Å; F490-W583 HydrophobicContact CB-CZ3 3.73Å; F490-W583 HydrophobicContact CD2-CB 4.01Å; F490-W583 HydrophobicContact CD2-CD2 4.01Å; F490-W583 HydrophobicContact CD2-CE3 4.29Å; F490-W583 AromaticContact CD2-CG 3.87Å; F490-W583 HydrophobicContact CD2-CG 3.87Å; F490-W583 HydrophobicContact CE2-CB 4.42Å; F490-W583 HydrophobicContact CG-CD2 4.38Å; F490-W583 HydrophobicContact CG-CE3 4.3Å
491P94.4Very high89.3Confident22 Ų2240.2 Ų40.214%0.14320%0.203CC..Hα-helixtrans-58-42.3172.4-25.135000113.1E486 I493 A494 D495 W583E486-P491 WeakPolarHBondContact O-CD 3.38Å; E486-P491 WeakPolarHBondContact O-CG 3.43Å; P491-I493 PolarHBondContact O-N 3.25Å; P491-A494 PolarHBondContact O-N 2.84Å; P491-D495 WeakPolarHBondContact O-CB 3.42Å; P491-D495 PolarHBondContact O-N 2.93Å; P491-W583 HydrophobicContact CB-CH2 4.44Å; P491-W583 HydrophobicContact CG-CH2 4.17Å; P491-W583 HydrophobicContact CG-CZ2 3.86Å
492L93Very high89.5Confident10 Ų1040 Ų405%0.05220%0.202CC..Hα-helixtrans-72.7-30.7-176.5-53.7172.2000112.3S488 L489 F490 R496 L497 I502 H505 M508S488-L492 WeakPolarHBondContact O-CD1 3.3Å; S488-L492 VanDerWaalsContact O-CG 3.3Å; S488-L492 WeakPolarHBondContact O-CG 3.42Å; L489-L492 PolarHBondContact O-N 3Å; L489-L492 VanDerWaalsContact O-N 3.08Å; F490-L492 VanDerWaalsContact C-N 3.33Å; F490-L492 PolarHBondContact O-N 3.03Å; L492-R496 PolarHBondContact O-N 3.32Å; L492-L497 HydrophobicContact CB-CB 4.45Å; L492-L497 HydrophobicContact CB-CD2 4.29Å; L492-L497 HydrophobicContact CD2-CD2 4.1Å; L492-L497 VanDerWaalsContact O-CB 3.27Å; L492-L497 WeakPolarHBondContact O-CB 3.4Å; L492-L497 PolarHBondContact O-N 2.73Å; L492-I502 HydrophobicContact CB-CD1 4.15Å; L492-I502 HydrophobicContact CB-CG1 3.94Å; L492-I502 HydrophobicContact CB-CG2 4.37Å; L492-I502 HydrophobicContact CD1-CG2 4.06Å; L492-H505 HydrophobicContact CD1-CB 3.8Å; L492-H505 WeakPolarHBondContact CD1-ND1 3.42Å; L492-M508 HydrophobicContact CD1-CG 3.83Å
493I92.4Very high89.2Confident0 Ų041 Ų410%021%0.21CC..Hα-helixtrans-69.8-43.1171.1-66.6178000110.5L489 F490 P491 D495 R496 I502 L535 L537 L542 F543 W545 F580L489-I493 HydrophobicContact CD1-CD1 3.79Å; L489-I493 HydrophobicContact CD1-CG1 4.13Å; L489-I493 HydrophobicContact CD2-CD1 4.41Å; L489-I493 HydrophobicContact CG-CD1 3.81Å; L489-I493 HydrophobicContact CG-CG1 4.46Å; L489-I493 PolarHBondContact O-N 2.85Å; L489-I493 VanDerWaalsContact O-N 3.12Å; F490-I493 PolarHBondContact O-N 2.35Å; P491-I493 PolarHBondContact O-N 3.25Å; I493-D495 VanDerWaalsContact C-N 3.31Å; I493-D495 PolarHBondContact O-N 3.4Å; I493-R496 VanDerWaalsContact O-CA 3.32Å; I493-R496 WeakPolarHBondContact O-CA 3.48Å; I493-R496 PolarHBondContact O-N 2.9Å; I493-I502 HydrophobicContact CG1-CD1 3.89Å; I493-L535 HydrophobicContact CB-CD1 4.42Å; I493-L535 HydrophobicContact CG1-CD1 4.26Å; I493-L535 HydrophobicContact CG2-CD1 4.29Å; I493-L537 HydrophobicContact CG2-CD2 3.56Å; I493-L542 HydrophobicContact CG2-CD1 4.19Å; I493-F543 HydrophobicContact CD1-CD1 4.27Å; I493-F543 HydrophobicContact CD1-CE1 3.41Å; I493-F543 VanDerWaalsContact CD1-CE1 3.41Å; I493-F543 HydrophobicContact CD1-CZ 3.93Å; I493-W545 HydrophobicContact CD1-CZ2 4.32Å; I493-F580 HydrophobicContact CB-CE2 4.14Å; I493-F580 HydrophobicContact CB-CZ 4.29Å; I493-F580 HydrophobicContact CG2-CE1 4.04Å; I493-F580 HydrophobicContact CG2-CE2 3.85Å; I493-F580 HydrophobicContact CG2-CZ 3.53Å
494A91.7Very high89Confident6 Ų644.6 Ų44.65%0.0523%0.227CC..Hα-helixtrans-70.4-24177.400000113.9F490 P491 F580 W583 Y584 R685F490-A494 WeakPolarHBondContact O-CB 2.92Å; F490-A494 PolarHBondContact O-N 2.97Å; P491-A494 PolarHBondContact O-N 2.84Å; A494-F580 HydrophobicContact CB-CE2 4.46Å; A494-W583 HydrophobicContact CB-CH2 4.15Å; A494-W583 HydrophobicContact CB-CZ3 3.92Å; A494-Y584 HydrophobicContact CB-CD2 4.06Å; A494-Y584 HydrophobicContact CB-CE2 3.77Å; A494-R685 PolarHBondContact O-NH1 3.34Å
495D89.7Confident89.1Confident111 Ų11146.9 Ų46.959%0.59424%0.237SC*.THydrogen-bonded Turntrans-83.75.4166.9-68.6-23.8000112.5P491 I493 L497P491-D495 WeakPolarHBondContact O-CB 3.42Å; P491-D495 PolarHBondContact O-N 2.93Å; I493-D495 VanDerWaalsContact C-N 3.31Å; I493-D495 PolarHBondContact O-N 3.4Å; D495-L497 PolarHBondContact O-N 2.96Å
496R87.7Confident89.1Confident124 Ų12451.4 Ų51.447%0.46827%0.267SS..THydrogen-bonded Turntrans54.631.6177-64.6172.6166.3-92.112.1113.8L492 I493 L537 E682L492-R496 PolarHBondContact O-N 3.32Å; I493-R496 VanDerWaalsContact O-CA 3.32Å; I493-R496 WeakPolarHBondContact O-CA 3.48Å; I493-R496 PolarHBondContact O-N 2.9Å; R496-L537 HydrophobicContact CG-CD1 4.11Å; R496-E682 IonicContact CZ-OE2 2.74Å; R496-E682 VanDerWaalsContact CZ-OE2 3.24Å; R496-E682 IonicContact NE-OE2 3.59Å; R496-E682 PolarHBondContact NE-OE2 3.32Å; R496-E682 IonicContact NH2-OE2 3.04Å; R496-E682 PolarHBondContact NH2-OE2 3.22Å
497L88.6Confident89.1Confident48 Ų4854.9 Ų54.925%0.25128%0.277SS..  trans-65137.3178.6-172.761.4000110.5L492 D495 K501 I502 L535L492-L497 HydrophobicContact CB-CB 4.45Å; L492-L497 HydrophobicContact CB-CD2 4.29Å; L492-L497 HydrophobicContact CD2-CD2 4.1Å; L492-L497 VanDerWaalsContact O-CB 3.27Å; L492-L497 WeakPolarHBondContact O-CB 3.4Å; L492-L497 PolarHBondContact O-N 2.73Å; D495-L497 PolarHBondContact O-N 2.96Å; L497-K501 HydrophobicContact CD1-CB 3.62Å; L497-K501 HydrophobicContact CD1-CD 3.8Å; L497-K501 HydrophobicContact CD1-CG 4.35Å; L497-K501 HydrophobicContact CD2-CB 4.09Å; L497-K501 HydrophobicContact CG-CB 3.7Å; L497-I502 HydrophobicContact CB-CD1 4.28Å; L497-I502 HydrophobicContact CB-CG1 3.76Å; L497-I502 HydrophobicContact CD2-CG1 3.95Å; L497-I502 HydrophobicContact CG-CG1 3.87Å; L497-I502 VanDerWaalsContact O-CD1 3.25Å; L497-I502 WeakPolarHBondContact O-CD1 3.5Å; L497-L535 VanDerWaalsContact O-CD1 3.23Å; L497-L535 WeakPolarHBondContact O-CD1 3.44Å
498E84.7Confident89Confident82 Ų8248.6 Ų48.638%0.38325%0.248SC..  trans-60141.6179.7-65.1159.1-158.100111.2A500 K501 I502E498-A500 VanDerWaalsContact C-N 3.3Å; E498-A500 PolarHBondContact O-N 3.38Å; E498-A500 VanDerWaalsContact O-N 3.16Å; E498-K501 HydrophobicContact CB-CB 4.5Å; E498-K501 HydrophobicContact CB-CD 4.19Å; E498-K501 HydrophobicContact CB-CG 4.42Å; E498-K501 HydrophobicContact CG-CD 4.49Å; E498-K501 WeakPolarHBondContact O-CA 3.48Å; E498-K501 WeakPolarHBondContact O-CB 3.45Å; E498-K501 PolarHBondContact O-N 2.86Å; E498-K501 IonicContact OE1-NZ 2.69Å; E498-K501 PolarHBondContact OE1-NZ 2.88Å; E498-K501 WeakPolarHBondContact OE2-CD 3.34Å; E498-K501 WeakPolarHBondContact OE2-CE 3.46Å; E498-K501 IonicContact OE2-NZ 3.79Å; E498-K501 PolarHBondContact OE2-NZ 3.24Å; E498-I502 PolarHBondContact O-N 3.41Å
499P84.6Confident88.7Confident3 Ų351.5 Ų51.52%0.01926%0.263CS..Hα-helixtrans-52-43.7-176.4-32.138.8000114.2K501 I502 V503 L535 W545P499-K501 PolarHBondContact O-N 3.2Å; P499-I502 PolarHBondContact O-N 3.05Å; P499-I502 VanDerWaalsContact O-N 3.15Å; P499-V503 VanDerWaalsContact O-CG2 3.24Å; P499-V503 WeakPolarHBondContact O-CG2 3.48Å; P499-V503 PolarHBondContact O-N 3.08Å; P499-L535 HydrophobicContact CG-CD2 3.76Å; P499-L535 HydrophobicContact CG-CG 4.17Å; P499-W545 HydrophobicContact CB-CD2 3.82Å; P499-W545 HydrophobicContact CB-CE3 3.72Å; P499-W545 HydrophobicContact CB-CG 4.3Å; P499-W545 HydrophobicContact CB-CZ3 4.15Å; P499-W545 HydrophobicContact CG-CD2 4.18Å; P499-W545 HydrophobicContact CG-CG 4.35Å
500A82.4Confident88.5Confident59 Ų5958.3 Ų58.349%0.48829%0.289SS..Hα-helixtrans-61.6-26.8176.700000113.9E498 N504E498-A500 VanDerWaalsContact C-N 3.3Å; E498-A500 PolarHBondContact O-N 3.38Å; E498-A500 VanDerWaalsContact O-N 3.16Å; A500-N504 PolarHBondContact O-ND2 3.15Å
501K87.2Confident88.1Confident107 Ų10758.4 Ų58.447%0.46529%0.29SS..Hα-helixtrans-84.6-37.8173.5-68.6170.6179.6150.90111.6L497 E498 P499 V503 N504 H505L497-K501 HydrophobicContact CD1-CB 3.62Å; L497-K501 HydrophobicContact CD1-CD 3.8Å; L497-K501 HydrophobicContact CD1-CG 4.35Å; L497-K501 HydrophobicContact CD2-CB 4.09Å; L497-K501 HydrophobicContact CG-CB 3.7Å; E498-K501 HydrophobicContact CB-CB 4.5Å; E498-K501 HydrophobicContact CB-CD 4.19Å; E498-K501 HydrophobicContact CB-CG 4.42Å; E498-K501 HydrophobicContact CG-CD 4.49Å; E498-K501 WeakPolarHBondContact O-CA 3.48Å; E498-K501 WeakPolarHBondContact O-CB 3.45Å; E498-K501 PolarHBondContact O-N 2.86Å; E498-K501 IonicContact OE1-NZ 2.69Å; E498-K501 PolarHBondContact OE1-NZ 2.88Å; E498-K501 WeakPolarHBondContact OE2-CD 3.34Å; E498-K501 WeakPolarHBondContact OE2-CE 3.46Å; E498-K501 IonicContact OE2-NZ 3.79Å; E498-K501 PolarHBondContact OE2-NZ 3.24Å; P499-K501 PolarHBondContact O-N 3.2Å; K501-V503 VanDerWaalsContact C-N 3.35Å; K501-V503 PolarHBondContact O-N 3.01Å; K501-N504 PolarHBondContact O-N 3.22Å; K501-H505 PolarHBondContact O-N 3.43Å; K501-H505 VanDerWaalsContact O-N 3.13Å
502I87.5Confident87.6Confident0 Ų059.3 Ų59.30%030%0.295CS..Hα-helixtrans-56.3-49.8173.3-64.9-176.8000110.4L489 L492 I493 L497 E498 P499 N504 H505 M508 L535 W545L489-I502 HydrophobicContact CD1-CG2 3.83Å; L492-I502 HydrophobicContact CB-CD1 4.15Å; L492-I502 HydrophobicContact CB-CG1 3.94Å; L492-I502 HydrophobicContact CB-CG2 4.37Å; L492-I502 HydrophobicContact CD1-CG2 4.06Å; I493-I502 HydrophobicContact CG1-CD1 3.89Å; L497-I502 HydrophobicContact CB-CD1 4.28Å; L497-I502 HydrophobicContact CB-CG1 3.76Å; L497-I502 HydrophobicContact CD2-CG1 3.95Å; L497-I502 HydrophobicContact CG-CG1 3.87Å; L497-I502 VanDerWaalsContact O-CD1 3.25Å; L497-I502 WeakPolarHBondContact O-CD1 3.5Å; E498-I502 PolarHBondContact O-N 3.41Å; P499-I502 PolarHBondContact O-N 3.05Å; P499-I502 VanDerWaalsContact O-N 3.15Å; I502-N504 VanDerWaalsContact C-N 3.32Å; I502-N504 PolarHBondContact O-N 3.13Å; I502-H505 WeakPolarHBondContact O-CB 3.47Å; I502-H505 PolarHBondContact O-N 3.06Å; I502-M508 HydrophobicContact CG2-CG 3.69Å; I502-M508 HydrophobicContact CG2-SD 4.31Å; I502-M508 WeakPolarHBondContact O-CB 3.33Å; I502-M508 WeakPolarHBondContact O-CG 3.32Å; I502-L535 HydrophobicContact CD1-CD1 3.86Å; I502-W545 HydrophobicContact CB-CH2 4.14Å; I502-W545 HydrophobicContact CD1-CH2 4.21Å; I502-W545 HydrophobicContact CD1-CZ2 4.21Å; I502-W545 HydrophobicContact CG2-CH2 3.75Å; I502-W545 HydrophobicContact CG2-CZ3 4.48Å
503V80.5Confident87.2Confident40 Ų4066.3 Ų66.324%0.24232%0.321CS..Hα-helixtrans-51.9-47.6179.4164.70000113P499 K501 H505 L528 W545P499-V503 VanDerWaalsContact O-CG2 3.24Å; P499-V503 WeakPolarHBondContact O-CG2 3.48Å; P499-V503 PolarHBondContact O-N 3.08Å; K501-V503 VanDerWaalsContact C-N 3.35Å; K501-V503 PolarHBondContact O-N 3.01Å; V503-H505 VanDerWaalsContact C-N 3.27Å; V503-H505 PolarHBondContact O-N 3.3Å; V503-L528 HydrophobicContact CB-CD1 4.06Å; V503-L528 HydrophobicContact CG1-CD1 3.41Å; V503-L528 VanDerWaalsContact CG1-CD1 3.41Å; V503-L528 HydrophobicContact CG2-CD1 3.41Å; V503-L528 VanDerWaalsContact CG2-CD1 3.41Å; V503-L528 HydrophobicContact CG2-CD2 3.43Å; V503-L528 VanDerWaalsContact CG2-CD2 3.43Å; V503-L528 HydrophobicContact CG2-CG 4Å; V503-W545 HydrophobicContact CG2-CZ3 4.11Å
504N83.6Confident86.9Confident116 Ų11668.6 Ų68.662%0.6233%0.332SS*.THydrogen-bonded Turntrans-861.3-176.9-68.2-74.2000112.6A500 K501 I502A500-N504 PolarHBondContact O-ND2 3.15Å; K501-N504 PolarHBondContact O-N 3.22Å; I502-N504 VanDerWaalsContact C-N 3.32Å; I502-N504 PolarHBondContact O-N 3.13Å
505H89.8Confident86.4Confident57 Ų5768.7 Ų68.726%0.26433%0.331SS..SBendtrans-71.4134.6-179.7-166.9-109.2000110.7L492 K501 I502 V503 R507 M508 I509L492-H505 HydrophobicContact CD1-CB 3.8Å; L492-H505 WeakPolarHBondContact CD1-ND1 3.42Å; K501-H505 PolarHBondContact O-N 3.43Å; K501-H505 VanDerWaalsContact O-N 3.13Å; I502-H505 WeakPolarHBondContact O-CB 3.47Å; I502-H505 PolarHBondContact O-N 3.06Å; V503-H505 VanDerWaalsContact C-N 3.27Å; V503-H505 PolarHBondContact O-N 3.3Å; H505-R507 PolarHBondContact O-N 3.3Å; H505-R507 VanDerWaalsContact O-N 3.07Å; H505-M508 PolarHBondContact O-N 2.83Å; H505-I509 PolarHBondContact O-N 3.32Å; H505-I509 VanDerWaalsContact O-N 3.14Å
506P91.6Very high85.9Confident95 Ų9565.3 Ų65.362%0.61732%0.316SS*.Hα-helixtrans-54.5-33.9-176.6-30.136.6000114.6Y510P506-Y510 VanDerWaalsContact O-CB 3.31Å; P506-Y510 WeakPolarHBondContact O-CB 3.48Å; P506-Y510 PolarHBondContact O-N 2.8Å
507R91.2Very high85.6Confident129 Ų12966.4 Ų66.449%0.48733%0.326SS..Hα-helixtrans-63.9-39.6175.2-62.6-171.3-167.7179.58.3112.6E487 H505 Y510 A511E487-R507 PolarHBondContact O-NH1 3.37Å; H505-R507 PolarHBondContact O-N 3.3Å; H505-R507 VanDerWaalsContact O-N 3.07Å; R507-Y510 PolarHBondContact O-N 3.19Å; R507-A511 VanDerWaalsContact O-CB 3.24Å; R507-A511 WeakPolarHBondContact O-CB 3Å; R507-A511 PolarHBondContact O-N 3.42Å
508M88.4Confident85.1Confident6 Ų668.2 Ų68.23%0.0333%0.332CS..Hα-helixtrans-71.4-43.7178.7-74.7-56.1-59.700111.8L489 L492 I502 H505 Y510 A511 T512 I546L489-M508 VanDerWaalsContact CA-SD 3.57Å; L489-M508 HydrophobicContact CB-CE 4.23Å; L489-M508 HydrophobicContact CB-SD 3.6Å; L489-M508 VanDerWaalsContact CB-SD 3.6Å; L489-M508 HydrophobicContact CD1-CE 3.84Å; L489-M508 HydrophobicContact CD1-SD 3.73Å; L489-M508 HydrophobicContact CG-CE 4.43Å; L489-M508 HydrophobicContact CG-SD 4.22Å; L492-M508 HydrophobicContact CD1-CG 3.83Å; I502-M508 HydrophobicContact CG2-CG 3.69Å; I502-M508 HydrophobicContact CG2-SD 4.31Å; I502-M508 WeakPolarHBondContact O-CB 3.33Å; I502-M508 WeakPolarHBondContact O-CG 3.32Å; H505-M508 PolarHBondContact O-N 2.83Å; M508-Y510 PolarHBondContact O-N 3.3Å; M508-A511 PolarHBondContact O-N 3.44Å; M508-T512 WeakPolarHBondContact O-CB 3.36Å; M508-T512 PolarHBondContact O-N 2.89Å; M508-T512 PolarHBondContact O-OG1 2.73Å; M508-I546 HydrophobicContact CE-CD1 3.85Å
509I85.7Confident84.5Confident67 Ų6765 Ų6534%0.34432%0.318SS..Hα-helixtrans-58.2-38.6174.9-62170000110.6H505 R513H505-I509 PolarHBondContact O-N 3.32Å; H505-I509 VanDerWaalsContact O-N 3.14Å; I509-R513 WeakPolarHBondContact O-CD 3.45Å; I509-R513 VanDerWaalsContact O-CG 3.23Å; I509-R513 WeakPolarHBondContact O-CG 3.46Å; I509-R513 PolarHBondContact O-N 3.14Å
510Y88.4Confident83.8Confident142 Ų14275.5 Ų75.556%0.55736%0.358SS*.Hα-helixtrans-71.5-44.8175.7-176.5-111.7000112.8P506 R507 M508 R513 Q514P506-Y510 VanDerWaalsContact O-CB 3.31Å; P506-Y510 WeakPolarHBondContact O-CB 3.48Å; P506-Y510 PolarHBondContact O-N 2.8Å; R507-Y510 PolarHBondContact O-N 3.19Å; M508-Y510 PolarHBondContact O-N 3.3Å; Y510-R513 WeakPolarHBondContact O-CB 3.34Å; Y510-R513 PolarHBondContact O-N 2.72Å; Y510-Q514 HydrophobicContact CE1-CG 4.19Å; Y510-Q514 VanDerWaalsContact CZ-NE2 3.33Å; Y510-Q514 PolarHBondContact O-N 3.42Å; Y510-Q514 PolarHBondContact OH-NE2 3.32Å; Y510-Q514 VanDerWaalsContact OH-NE2 3.1Å
511A87.2Confident83.4Confident2 Ų280 Ų802%0.01736%0.362CS..Hα-helixtrans-59.5-48.9176.300000112.7I484 S488 R507 M508 R513 Q514 I515I484-A511 HydrophobicContact CG2-CB 3.41Å; I484-A511 VanDerWaalsContact CG2-CB 3.41Å; S488-A511 WeakPolarHBondContact OG-CB 3.33Å; R507-A511 VanDerWaalsContact O-CB 3.24Å; R507-A511 WeakPolarHBondContact O-CB 3Å; R507-A511 PolarHBondContact O-N 3.42Å; M508-A511 PolarHBondContact O-N 3.44Å; A511-R513 VanDerWaalsContact C-N 3.3Å; A511-R513 PolarHBondContact O-N 2.97Å; A511-Q514 PolarHBondContact O-N 2.92Å; A511-Q514 VanDerWaalsContact O-N 3.15Å; A511-I515 VanDerWaalsContact O-CG1 3.32Å; A511-I515 WeakPolarHBondContact O-CG1 3.46Å; A511-I515 PolarHBondContact O-N 3.13Å
512T83.8Confident82.9Confident42 Ų4275.1 Ų75.126%0.25834%0.341SS..Hα-helixtrans-55.2-46.4173.6-64.10000110.6M508 Q514 I515 C516 F526M508-T512 WeakPolarHBondContact O-CB 3.36Å; M508-T512 PolarHBondContact O-N 2.89Å; M508-T512 PolarHBondContact O-OG1 2.73Å; T512-Q514 PolarHBondContact O-N 3.38Å; T512-I515 PolarHBondContact O-N 2.97Å; T512-C516 WeakPolarHBondContact O-CB 3.16Å; T512-C516 PolarHBondContact O-N 2.79Å; T512-C516 PolarHBondContact O-SG 3.44Å; T512-F526 HydrophobicContact CG2-CD2 4.04Å
513R84.4Confident82.5Confident157 Ų15781.5 Ų81.559%0.59237%0.369SS*.Hα-helixtrans-60.6-43176.3-73.2169.4-177.2-178.52.1112.7I509 Y510 A511 Q517I509-R513 WeakPolarHBondContact O-CD 3.45Å; I509-R513 VanDerWaalsContact O-CG 3.23Å; I509-R513 WeakPolarHBondContact O-CG 3.46Å; I509-R513 PolarHBondContact O-N 3.14Å; Y510-R513 WeakPolarHBondContact O-CB 3.34Å; Y510-R513 PolarHBondContact O-N 2.72Å; A511-R513 VanDerWaalsContact C-N 3.3Å; A511-R513 PolarHBondContact O-N 2.97Å; R513-Q517 WeakPolarHBondContact O-CB 3.42Å; R513-Q517 WeakPolarHBondContact O-CG 3.26Å; R513-Q517 PolarHBondContact O-N 3.03Å
514Q85.8Confident82.3Confident48 Ų4880.6 Ų80.622%0.22436%0.364CS..Hα-helixtrans-61.6-44.6175.3-75.2-164-0.300112.1I484 Y510 A511 T512 Q517 K518I484-Q514 HydrophobicContact CD1-CB 3.89Å; Y510-Q514 HydrophobicContact CE1-CG 4.19Å; Y510-Q514 VanDerWaalsContact CZ-NE2 3.33Å; Y510-Q514 PolarHBondContact O-N 3.42Å; Y510-Q514 PolarHBondContact OH-NE2 3.32Å; Y510-Q514 VanDerWaalsContact OH-NE2 3.1Å; A511-Q514 PolarHBondContact O-N 2.92Å; A511-Q514 VanDerWaalsContact O-N 3.15Å; T512-Q514 PolarHBondContact O-N 3.38Å; Q514-Q517 PolarHBondContact O-N 3.3Å; Q514-K518 WeakPolarHBondContact O-CG 3.47Å; Q514-K518 PolarHBondContact O-N 2.93Å
515I81.9Confident81.9Confident7 Ų777.3 Ų77.34%0.03635%0.349CS..Hα-helixtrans-63.7-47.2179.8-64.8160.1000109.9I481 I484 F485 A511 T512 Q517 K518 C519 F526I481-I515 HydrophobicContact CD1-CD1 4.17Å; I481-I515 HydrophobicContact CG1-CD1 3.88Å; I481-I515 HydrophobicContact CG1-CG1 4.39Å; I484-I515 HydrophobicContact CD1-CG1 3.78Å; I484-I515 HydrophobicContact CG2-CD1 4.2Å; I484-I515 HydrophobicContact CG2-CG1 4.35Å; F485-I515 HydrophobicContact CD1-CD1 4.3Å; F485-I515 HydrophobicContact CE1-CD1 3.67Å; F485-I515 HydrophobicContact CZ-CD1 4.47Å; A511-I515 VanDerWaalsContact O-CG1 3.32Å; A511-I515 WeakPolarHBondContact O-CG1 3.46Å; A511-I515 PolarHBondContact O-N 3.13Å; T512-I515 PolarHBondContact O-N 2.97Å; I515-Q517 VanDerWaalsContact C-N 3.26Å; I515-Q517 PolarHBondContact O-N 3.04Å; I515-K518 PolarHBondContact O-N 3.44Å; I515-K518 VanDerWaalsContact O-N 3.15Å; I515-C519 PolarHBondContact O-N 3.43Å; I515-C519 PolarHBondContact O-SG 3.05Å; I515-F526 HydrophobicContact CB-CE2 4.23Å; I515-F526 HydrophobicContact CD1-CE2 3.83Å; I515-F526 HydrophobicContact CD1-CZ 3.84Å; I515-F526 HydrophobicContact CG2-CE2 3.92Å; I515-F526 HydrophobicContact CG2-CZ 4.13Å
516C79.4Confident81.3Confident40 Ų4075.9 Ų75.927%0.2734%0.342SS..Hα-helixtrans-60-33.4174-62.70000113T512 C519 T524T512-C516 WeakPolarHBondContact O-CB 3.16Å; T512-C516 PolarHBondContact O-N 2.79Å; T512-C516 PolarHBondContact O-SG 3.44Å; C516-C519 VanDerWaalsContact O-O 3.09Å; C516-T524 WeakPolarHBondContact CA-OG1 3.42Å; C516-T524 PolarHBondContact SG-O 3.18Å
517Q80.7Confident80.4Confident148 Ų14874.3 Ų74.369%0.69233%0.331SS*.Hα-helixtrans-76.9-24.9176.6-75.6169.9-8.100113.8R513 Q514 I515R513-Q517 WeakPolarHBondContact O-CB 3.42Å; R513-Q517 WeakPolarHBondContact O-CG 3.26Å; R513-Q517 PolarHBondContact O-N 3.03Å; Q514-Q517 PolarHBondContact O-N 3.3Å; I515-Q517 VanDerWaalsContact C-N 3.26Å; I515-Q517 PolarHBondContact O-N 3.04Å
518K77.4Confident79.5Confident85 Ų8572.1 Ų72.137%0.3733%0.329SS..Hα-helixtrans-72.1-31.4171.7-73178.2-179.8-173.50111.7S479 T480 I484 Q514 I515 R520S479-K518 WeakPolarHBondContact O-CD 3.49Å; S479-K518 WeakPolarHBondContact O-CE 3.39Å; S479-K518 PolarHBondContact O-NZ 3.28Å; T480-K518 PolarHBondContact O-NZ 3.41Å; I484-K518 HydrophobicContact CD1-CD 4.22Å; Q514-K518 WeakPolarHBondContact O-CG 3.47Å; Q514-K518 PolarHBondContact O-N 2.93Å; I515-K518 PolarHBondContact O-N 3.44Å; I515-K518 VanDerWaalsContact O-N 3.15Å; K518-R520 PolarHBondContact O-N 2.9Å
519C72.6Confident78.5Confident14 Ų1473.5 Ų73.510%0.09535%0.345CS..  trans-81.9104.9177.4-52.40000109.8I471 I515 C516 L522 T524I471-C519 VanDerWaalsContact CG1-SG 3.54Å; I515-C519 PolarHBondContact O-N 3.43Å; I515-C519 PolarHBondContact O-SG 3.05Å; C516-C519 VanDerWaalsContact O-O 3.09Å; C519-L522 VanDerWaalsContact CB-O 3.32Å; C519-L522 WeakPolarHBondContact CB-O 3.38Å; C519-T524 HydrophobicContact CB-CG2 3.97Å
520R69.9Low77.2Confident225 Ų22578.9 Ų78.985%0.84937%0.374SS*.SBendtrans-92-25.4-173.2-70.5-172.4179.1-175.21.1113.8D467 K518D467-R520 PolarHBondContact OD2-N 2.86Å; K518-R520 PolarHBondContact O-N 2.9Å
521R74.5Confident75.8Confident152 Ų15274.8 Ų74.857%0.57437%0.366SS*.SBendtrans-107.7-43.2179.1-63.7-53.9-161.8175.59.8111.4D460 V464 D467D460-R521 IonicContact OD2-CZ 2.72Å; D460-R521 IonicContact OD2-NE 2.97Å; D460-R521 PolarHBondContact OD2-NE 3.43Å; D460-R521 IonicContact OD2-NH2 2.67Å; D460-R521 PolarHBondContact OD2-NH2 3.09Å; V464-R521 HydrophobicContact CG2-CB 3.94Å; D467-R521 PolarHBondContact OD2-N 3.21Å
522L76.3Confident74.7Confident5 Ų579.4 Ų79.43%0.02640%0.395CS..SBendtrans-84.8119.4-176.9-166.950.3000110.4V464 D467 C468 I471 C519 T524 V550 L552V464-L522 HydrophobicContact CG1-CD1 4.19Å; V464-L522 HydrophobicContact CG1-CD2 4.4Å; D467-L522 HydrophobicContact CB-CB 4.02Å; D467-L522 PolarHBondContact OD2-N 2.86Å; C468-L522 WeakPolarHBondContact SG-CD2 3.5Å; I471-L522 HydrophobicContact CD1-CD2 3.98Å; C519-L522 VanDerWaalsContact CB-O 3.32Å; C519-L522 WeakPolarHBondContact CB-O 3.38Å; L522-T524 HydrophobicContact CB-CG2 4.45Å; L522-T524 HydrophobicContact CG-CG2 4.14Å; L522-T524 PolarHBondContact O-N 3.31Å; L522-V550 HydrophobicContact CD1-CB 4.08Å; L522-V550 HydrophobicContact CD2-CB 3.96Å; L522-V550 HydrophobicContact CD2-CG1 3.54Å; L522-V550 HydrophobicContact CG-CB 4.14Å; L522-V550 HydrophobicContact CG-CG1 4.03Å; L522-L552 HydrophobicContact CD1-CD2 3.77Å
523K78.7Confident73.7Confident135 Ų13582.3 Ų82.359%0.58742%0.417SS*.EExtended strand (participates in β ladder)trans-66.2115166.1-85.9-172.6177.4-179.60108.7E551K523-E551 HydrophobicContact CB-CB 3.76Å; K523-E551 HydrophobicContact CD-CB 4.03Å; K523-E551 HydrophobicContact CD-CG 4.49Å; K523-E551 WeakPolarHBondContact CD-OE2 3.48Å; K523-E551 WeakPolarHBondContact CE-OE2 3.19Å; K523-E551 IonicContact NZ-OE2 3.24Å; K523-E551 PolarHBondContact NZ-OE2 2.83Å; K523-E551 PolarHBondContact O-N 2.97Å
524T75.9Confident73.3Confident21 Ų2182.8 Ų82.813%0.12942%0.423CS..EExtended strand (participates in β ladder)trans-115148.9179.151.80000111.8I471 C516 C519 L522 C549 V550I471-T524 HydrophobicContact CD1-CG2 3.37Å; I471-T524 HydrophobicContact CG1-CG2 4.17Å; C516-T524 WeakPolarHBondContact CA-OG1 3.42Å; C516-T524 PolarHBondContact SG-O 3.18Å; C519-T524 HydrophobicContact CB-CG2 3.97Å; L522-T524 HydrophobicContact CB-CG2 4.45Å; L522-T524 HydrophobicContact CG-CG2 4.14Å; L522-T524 PolarHBondContact O-N 3.31Å; T524-C549 WeakPolarHBondContact CA-O 3.33Å; T524-V550 HydrophobicContact CG2-CG1 4.32Å
525S76.6Confident73.2Confident46 Ų4681.2 Ų81.232%0.32242%0.416SS..EExtended strand (participates in β ladder)trans-141.3176.9167.663.60000108.8P548 C549S525-P548 WeakPolarHBondContact O-CA 3.43Å; S525-C549 PolarHBondContact N-O 2.92Å; S525-C549 PolarHBondContact O-N 3.4Å
526F76.8Confident73.4Confident27 Ų2785.1 Ų85.112%0.11844%0.437CS..EExtended strand (participates in β ladder)trans-114.7122161.3-73-94.4000107.7I481 F485 T512 I515 I546 Q547 P548 W572I481-F526 HydrophobicContact CD1-CE1 4.43Å; I481-F526 HydrophobicContact CD1-CZ 3.97Å; F485-F526 HydrophobicContact CE1-CZ 4.44Å; F485-F526 AromaticContact CZ-CE1 3.97Å; F485-F526 HydrophobicContact CZ-CE1 3.97Å; F485-F526 HydrophobicContact CZ-CZ 4.13Å; T512-F526 HydrophobicContact CG2-CD2 4.04Å; I515-F526 HydrophobicContact CB-CE2 4.23Å; I515-F526 HydrophobicContact CD1-CE2 3.83Å; I515-F526 HydrophobicContact CD1-CZ 3.84Å; I515-F526 HydrophobicContact CG2-CE2 3.92Å; I515-F526 HydrophobicContact CG2-CZ 4.13Å; F526-I546 HydrophobicContact CB-CG1 4.38Å; F526-I546 HydrophobicContact CD1-CD1 4.2Å; F526-I546 HydrophobicContact CD1-CG1 3.88Å; F526-I546 HydrophobicContact CG-CG1 4.49Å; F526-Q547 CarbonylContact C-O 3.57Å; F526-Q547 VanDerWaalsContact CA-O 3.29Å; F526-Q547 WeakPolarHBondContact CA-O 3.39Å; F526-P548 HydrophobicContact CD1-CB 4.2Å; F526-P548 HydrophobicContact CE1-CB 3.72Å; F526-P548 HydrophobicContact CE1-CG 4.3Å; F526-P548 HydrophobicContact CZ-CB 4.14Å; F526-W572 HydrophobicContact CE1-CZ2 4.28Å
527T73.7Confident73.8Confident63 Ų6383.3 Ų83.339%0.38743%0.425SS..EExtended strand (participates in β ladder)trans-85.5159.6168.5630000109.9Q547 C549T527-Q547 PolarHBondContact N-O 3.05Å; T527-Q547 PolarHBondContact O-N 3.42Å; T527-Q547 WeakPolarHBondContact OG1-CG 3.32Å; T527-C549 HydrophobicContact CG2-CB 3.81Å; T527-C549 WeakPolarHBondContact CG2-SG 3.47Å; T527-C549 PolarHBondContact OG1-SG 2.86Å
528L71.6Confident74.1Confident82 Ų8279.4 Ų79.443%0.42941%0.406SS..EExtended strand (participates in β ladder)trans-129.8112.6-170.5-62.8165.5000108.2V503 W545 I546V503-L528 HydrophobicContact CB-CD1 4.06Å; V503-L528 HydrophobicContact CG1-CD1 3.41Å; V503-L528 VanDerWaalsContact CG1-CD1 3.41Å; V503-L528 HydrophobicContact CG2-CD1 3.41Å; V503-L528 VanDerWaalsContact CG2-CD1 3.41Å; V503-L528 HydrophobicContact CG2-CD2 3.43Å; V503-L528 VanDerWaalsContact CG2-CD2 3.43Å; V503-L528 HydrophobicContact CG2-CG 4Å; L528-W545 CarbonylContact C-O 3.55Å; L528-W545 VanDerWaalsContact CA-O 3.26Å; L528-W545 WeakPolarHBondContact CA-O 3.41Å; L528-W545 HydrophobicContact CD2-CE3 4.16Å; L528-W545 HydrophobicContact CD2-CZ3 4.13Å; L528-I546 HydrophobicContact CD2-CB 4.23Å; L528-I546 HydrophobicContact CD2-CG1 4.35Å
529G67Low74.5Confident36 Ų3677.2 Ų77.237%0.37140%0.402SS..  trans-68.7163177.700000111.7S531 W545G529-S531 PolarHBondContact O-N 3.14Å; G529-W545 PolarHBondContact N-O 3Å
530N59Low75Confident179 Ų17980.9 Ų80.996%0.95742%0.421SS*.  trans-59.7102.6167.8-76.7-27.5000108.9
531S58.9Low75.5Confident56 Ų5679.4 Ų79.439%0.39242%0.415SS..  trans-85.5146.7-171.132.10000111.9G529G529-S531 PolarHBondContact O-N 3.14Å
532T62.7Low76.1Confident100 Ų10072.3 Ų72.361%0.61339%0.389SS*.  trans-67.3147.3165.846.20000110.1K534T532-K534 WeakPolarHBondContact CB-O 3.23Å; T532-K534 PolarHBondContact O-N 3.11Å; T532-K534 PolarHBondContact OG1-O 3.15Å
533S64.7Low76.6Confident103 Ų10372.2 Ų72.272%0.7239%0.388SS*.SBendtrans-68-2.2178.355.60000114.5
534K75.9Confident76.9Confident166 Ų16668.4 Ų68.472%0.72238%0.378SS*.SBendtrans-139.4143.8173.3-62.6-173.6179.3-176.10109.5T532T532-K534 WeakPolarHBondContact CB-O 3.23Å; T532-K534 PolarHBondContact O-N 3.11Å; T532-K534 PolarHBondContact OG1-O 3.15Å
535L82.9Confident77.3Confident15 Ų1568.1 Ų68.18%0.07938%0.375CS..  trans-80.3127.9164.3-73.4177.3000109.7I493 L497 P499 I502 L537 L542I493-L535 HydrophobicContact CB-CD1 4.42Å; I493-L535 HydrophobicContact CG1-CD1 4.26Å; I493-L535 HydrophobicContact CG2-CD1 4.29Å; L497-L535 VanDerWaalsContact O-CD1 3.23Å; L497-L535 WeakPolarHBondContact O-CD1 3.44Å; P499-L535 HydrophobicContact CG-CD2 3.76Å; P499-L535 HydrophobicContact CG-CG 4.17Å; I502-L535 HydrophobicContact CD1-CD1 3.86Å; L535-L537 HydrophobicContact CB-CD2 4.48Å; L535-L542 HydrophobicContact CD2-CD1 4.17Å
536D85.7Confident77.7Confident90 Ų9066.1 Ų66.148%0.48136%0.36SS..  trans-102.2110.2164.7176.412.6000109Q538 S539D536-Q538 PolarHBondContact O-N 3.39Å; D536-Q538 PolarHBondContact OD1-N 3.23Å; D536-S539 PolarHBondContact O-N 3.41Å
537L88.6Confident77.9Confident2 Ų266.7 Ų66.71%0.0136%0.363CS..THydrogen-bonded Turntrans-74.11.9-179-56-174.4000113.5I493 R496 L535 L542 Y577 I678I493-L537 HydrophobicContact CG2-CD2 3.56Å; R496-L537 HydrophobicContact CG-CD1 4.11Å; L535-L537 HydrophobicContact CB-CD2 4.48Å; L537-L542 HydrophobicContact CD2-CD1 3.76Å; L537-L542 HydrophobicContact CD2-CD2 4.33Å; L537-Y577 PolarHBondContact O-OH 2.97Å; L537-I678 HydrophobicContact CB-CG2 3.91Å
538Q86.1Confident78.4Confident65 Ų6563.7 Ų63.730%0.30435%0.345SS..THydrogen-bonded Turntrans-112.5-5.8174.7-63.9-65-82.100113.2D536 K675D536-Q538 PolarHBondContact O-N 3.39Å; D536-Q538 PolarHBondContact OD1-N 3.23Å; Q538-K675 PolarHBondContact NE2-O 2.86Å; Q538-K675 PolarHBondContact OE1-O 2.94Å
539S86.5Confident78.9Confident39 Ų3961 Ų6127%0.27333%0.333SS..  trans-75.8133.1178.3-170.60000111.6D536 R541 L542 Y577D536-S539 PolarHBondContact O-N 3.41Å; S539-R541 PolarHBondContact O-N 3.34Å; S539-R541 PolarHBondContact OG-N 2.89Å; S539-L542 VanDerWaalsContact O-CB 3.26Å; S539-L542 WeakPolarHBondContact O-CB 3.45Å; S539-L542 PolarHBondContact O-N 3.41Å; S539-Y577 WeakPolarHBondContact O-CE2 3.28Å
540D82Confident79.7Confident92 Ų9260.4 Ų60.449%0.49232%0.322SS..THydrogen-bonded Turntrans-56.2-18.2166.9-58.1-83000112.7K675D540-K675 VanDerWaalsContact CG-CE 3.49Å; D540-K675 WeakPolarHBondContact OD1-CE 3.37Å; D540-K675 IonicContact OD1-NZ 3.68Å; D540-K675 PolarHBondContact OD1-NZ 2.66Å; D540-K675 WeakPolarHBondContact OD2-CE 3.48Å; D540-K675 IonicContact OD2-NZ 3.32Å; D540-K675 PolarHBondContact OD2-NZ 3.33Å
541R82Confident80.8Confident193 Ų19357.6 Ų57.673%0.72830%0.303SS*.THydrogen-bonded Turntrans-94.512.1176.8-62.2-173.9-177.9-169.2-0.8113.9S539 F543 S544S539-R541 PolarHBondContact O-N 3.34Å; S539-R541 PolarHBondContact OG-N 2.89Å; R541-F543 PolarHBondContact O-N 3.21Å; R541-S544 PolarHBondContact O-N 2.88Å; R541-S544 PolarHBondContact O-OG 3.43Å
542L86.1Confident81.9Confident4 Ų456.9 Ų56.92%0.02129%0.294CS..THydrogen-bonded Turntrans-50-33.1177.2175.658.8000113.3I493 L535 L537 S539 W545 Y577 F580I493-L542 HydrophobicContact CG2-CD1 4.19Å; L535-L542 HydrophobicContact CD2-CD1 4.17Å; L537-L542 HydrophobicContact CD2-CD1 3.76Å; L537-L542 HydrophobicContact CD2-CD2 4.33Å; S539-L542 VanDerWaalsContact O-CB 3.26Å; S539-L542 WeakPolarHBondContact O-CB 3.45Å; S539-L542 PolarHBondContact O-N 3.41Å; L542-W545 PolarHBondContact O-NE1 3.33Å; L542-Y577 HydrophobicContact CB-CD2 4.26Å; L542-Y577 HydrophobicContact CB-CE2 3.79Å; L542-Y577 HydrophobicContact CD2-CD2 4.38Å; L542-Y577 HydrophobicContact CD2-CE2 3.86Å; L542-Y577 HydrophobicContact CG-CE2 4.44Å; L542-F580 HydrophobicContact CD2-CD1 4.04Å; L542-F580 HydrophobicContact CD2-CE1 3.98Å
543F87.9Confident82.7Confident3 Ų354.5 Ų54.51%0.01328%0.282CS..THydrogen-bonded Turntrans-108.812.4177.5-65.1-79.3000114.1L489 F490 I493 R541 W545 C576 Y577 F580L489-F543 HydrophobicContact CD2-CE1 4.45Å; F490-F543 HydrophobicContact CE1-CE1 4.28Å; F490-F543 HydrophobicContact CE1-CZ 4.33Å; I493-F543 HydrophobicContact CD1-CD1 4.27Å; I493-F543 HydrophobicContact CD1-CE1 3.41Å; I493-F543 VanDerWaalsContact CD1-CE1 3.41Å; I493-F543 HydrophobicContact CD1-CZ 3.93Å; R541-F543 PolarHBondContact O-N 3.21Å; F543-W545 VanDerWaalsContact C-N 3.28Å; F543-W545 PolarHBondContact O-N 3.25Å; F543-C576 HydrophobicContact CD1-CB 4.28Å; F543-C576 WeakPolarHBondContact CD1-SG 3.24Å; F543-C576 HydrophobicContact CD2-CB 4.39Å; F543-C576 WeakPolarHBondContact CE1-SG 3.47Å; F543-C576 HydrophobicContact CG-CB 4.18Å; F543-Y577 AromaticContact CD2-CD2 3.9Å; F543-Y577 HydrophobicContact CD2-CD2 3.9Å; F543-Y577 HydrophobicContact CD2-CG 4.41Å; F543-Y577 HydrophobicContact CE2-CD2 4.06Å; F543-Y577 HydrophobicContact CE2-CG 4.33Å; F543-F580 HydrophobicContact CE2-CB 4.13Å; F543-F580 HydrophobicContact CE2-CD1 4.26Å; F543-F580 HydrophobicContact CE2-CG 4.37Å; F543-F580 HydrophobicContact CZ-CB 3.73Å; F543-F580 HydrophobicContact CZ-CD1 4.07Å; F543-F580 AromaticContact CZ-CG 3.85Å; F543-F580 HydrophobicContact CZ-CG 3.85Å
544S83.4Confident83.2Confident54 Ų5453.3 Ų53.338%0.37826%0.262SS..THydrogen-bonded Turntrans-81.3-4179.389.10000114.2R541R541-S544 PolarHBondContact O-N 2.88Å; R541-S544 PolarHBondContact O-OG 3.43Å
545W84.1Confident83.4Confident16 Ų1645.5 Ų45.56%0.06123%0.229CC..THydrogen-bonded Turntrans-94.1-10.117863.7-91000113.2L489 I493 P499 I502 V503 L528 G529 L542 F543L489-W545 HydrophobicContact CD1-CH2 4.05Å; L489-W545 HydrophobicContact CD1-CZ2 4.34Å; I493-W545 HydrophobicContact CD1-CZ2 4.32Å; P499-W545 HydrophobicContact CB-CD2 3.82Å; P499-W545 HydrophobicContact CB-CE3 3.72Å; P499-W545 HydrophobicContact CB-CG 4.3Å; P499-W545 HydrophobicContact CB-CZ3 4.15Å; P499-W545 HydrophobicContact CG-CD2 4.18Å; P499-W545 HydrophobicContact CG-CG 4.35Å; I502-W545 HydrophobicContact CB-CH2 4.14Å; I502-W545 HydrophobicContact CD1-CH2 4.21Å; I502-W545 HydrophobicContact CD1-CZ2 4.21Å; I502-W545 HydrophobicContact CG2-CH2 3.75Å; I502-W545 HydrophobicContact CG2-CZ3 4.48Å; V503-W545 HydrophobicContact CG2-CZ3 4.11Å; L528-W545 CarbonylContact C-O 3.55Å; L528-W545 VanDerWaalsContact CA-O 3.26Å; L528-W545 WeakPolarHBondContact CA-O 3.41Å; L528-W545 HydrophobicContact CD2-CE3 4.16Å; L528-W545 HydrophobicContact CD2-CZ3 4.13Å; G529-W545 PolarHBondContact N-O 3Å; L542-W545 PolarHBondContact O-NE1 3.33Å; F543-W545 VanDerWaalsContact C-N 3.28Å; F543-W545 PolarHBondContact O-N 3.25Å
546I85Confident83.4Confident3 Ų345.5 Ų45.52%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-134.3126.3177.3176.4168.9000108L489 M508 F526 L528 W572L489-I546 HydrophobicContact CD2-CD1 4.37Å; M508-I546 HydrophobicContact CE-CD1 3.85Å; F526-I546 HydrophobicContact CB-CG1 4.38Å; F526-I546 HydrophobicContact CD1-CD1 4.2Å; F526-I546 HydrophobicContact CD1-CG1 3.88Å; F526-I546 HydrophobicContact CG-CG1 4.49Å; L528-I546 HydrophobicContact CD2-CB 4.23Å; L528-I546 HydrophobicContact CD2-CG1 4.35Å; I546-W572 HydrophobicContact CG2-CH2 4.48Å; I546-W572 WeakPolarHBondContact O-CH2 3.44Å; I546-W572 WeakPolarHBondContact O-CZ3 3.46Å
547Q82Confident83.2Confident39 Ų3943.2 Ų43.218%0.18222%0.22CC..EExtended strand (participates in β ladder)trans-145.2142.1174.663.1-168.150.500111.7F526 T527 C549 E569 W572F526-Q547 CarbonylContact C-O 3.57Å; F526-Q547 VanDerWaalsContact CA-O 3.29Å; F526-Q547 WeakPolarHBondContact CA-O 3.39Å; T527-Q547 PolarHBondContact N-O 3.05Å; T527-Q547 PolarHBondContact O-N 3.42Å; T527-Q547 WeakPolarHBondContact OG1-CG 3.32Å; Q547-C549 PolarHBondContact O-N 3.34Å; Q547-E569 PolarHBondContact NE2-OE1 3Å; Q547-E569 PolarHBondContact NE2-OE2 2.99Å; Q547-E569 VanDerWaalsContact NE2-OE2 3.1Å; Q547-W572 HydrophobicContact CB-CZ3 4.32Å
548P83.3Confident82.7Confident1 Ų143.4 Ų43.41%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-65.9129.5172.426.6-31.9000109.4I471 F472 S525 F526 W572I471-P548 HydrophobicContact CG2-CB 3.46Å; I471-P548 VanDerWaalsContact CG2-CB 3.46Å; I471-P548 HydrophobicContact CG2-CG 4.03Å; F472-P548 HydrophobicContact CD1-CG 3.79Å; F472-P548 HydrophobicContact CE1-CB 4.31Å; F472-P548 HydrophobicContact CE1-CG 3.62Å; F472-P548 HydrophobicContact CZ-CG 4.42Å; S525-P548 WeakPolarHBondContact O-CA 3.43Å; F526-P548 HydrophobicContact CD1-CB 4.2Å; F526-P548 HydrophobicContact CE1-CB 3.72Å; F526-P548 HydrophobicContact CE1-CG 4.3Å; F526-P548 HydrophobicContact CZ-CB 4.14Å; P548-W572 HydrophobicContact CG-CD2 3.9Å; P548-W572 HydrophobicContact CG-CE3 4.41Å; P548-W572 HydrophobicContact CG-CG 4.09Å; P548-W572 HydrophobicContact CG-CZ2 4.37Å
549C82.6Confident82.5Confident25 Ų2540.3 Ų40.317%0.16921%0.206CC..EExtended strand (participates in β ladder)trans-120.5142.2176.2-70.10000111T524 S525 T527 Q547T524-C549 WeakPolarHBondContact CA-O 3.33Å; S525-C549 PolarHBondContact N-O 2.92Å; S525-C549 PolarHBondContact O-N 3.4Å; T527-C549 HydrophobicContact CG2-CB 3.81Å; T527-C549 WeakPolarHBondContact CG2-SG 3.47Å; T527-C549 PolarHBondContact OG1-SG 2.86Å; Q547-C549 PolarHBondContact O-N 3.34Å
550V83.9Confident82.5Confident24 Ų2438.5 Ų38.515%0.14519%0.194CC..EExtended strand (participates in β ladder)trans-119.2114.1-168.3-68.40000109.9I471 F472 L522 T524 L552 V565I471-V550 HydrophobicContact CD1-CG1 4.5Å; F472-V550 HydrophobicContact CE2-CG1 3.84Å; F472-V550 HydrophobicContact CZ-CG1 3.95Å; F472-V550 HydrophobicContact CZ-CG2 4.41Å; L522-V550 HydrophobicContact CD1-CB 4.08Å; L522-V550 HydrophobicContact CD2-CB 3.96Å; L522-V550 HydrophobicContact CD2-CG1 3.54Å; L522-V550 HydrophobicContact CG-CB 4.14Å; L522-V550 HydrophobicContact CG-CG1 4.03Å; T524-V550 HydrophobicContact CG2-CG1 4.32Å; V550-L552 HydrophobicContact CG2-CG 4.37Å; V550-L552 PolarHBondContact O-N 3.26Å; V550-V565 HydrophobicContact CG2-CG1 3.88Å; V550-V565 HydrophobicContact CG2-CG2 4.18Å
551E81.4Confident82.4Confident119 Ų11935.1 Ų35.156%0.55618%0.176SC*.EExtended strand (participates in β ladder)trans-78.190.2173-77.6-177.9-147.600109K523K523-E551 HydrophobicContact CB-CB 3.76Å; K523-E551 HydrophobicContact CD-CB 4.03Å; K523-E551 HydrophobicContact CD-CG 4.49Å; K523-E551 WeakPolarHBondContact CD-OE2 3.48Å; K523-E551 WeakPolarHBondContact CE-OE2 3.19Å; K523-E551 IonicContact NZ-OE2 3.24Å; K523-E551 PolarHBondContact NZ-OE2 2.83Å; K523-E551 PolarHBondContact O-N 2.97Å
552L82.2Confident82.3Confident41 Ų4130.9 Ų30.922%0.21517%0.165CC..  trans-77.1145.4169.4-61.4173.5000110.4V464 L522 V550 L556 I560 V565V464-L552 HydrophobicContact CG1-CD2 4.33Å; L522-L552 HydrophobicContact CD1-CD2 3.77Å; V550-L552 HydrophobicContact CG2-CG 4.37Å; V550-L552 PolarHBondContact O-N 3.26Å; L552-L556 HydrophobicContact CB-CB 4.21Å; L552-L556 HydrophobicContact CD2-CB 4.09Å; L552-I560 HydrophobicContact CD1-CB 3.97Å; L552-I560 HydrophobicContact CD1-CG2 3.97Å; L552-I560 WeakPolarHBondContact CD1-O 3.43Å; L552-I560 HydrophobicContact CD2-CD1 4.37Å; L552-V565 HydrophobicContact CD1-CG2 4.15Å
553S79.3Confident82.2Confident51 Ų5136.3 Ų36.336%0.35719%0.185SC..  trans-75.1156.916466.50000109.9A555 L556 S557S553-A555 PolarHBondContact O-N 2.79Å; S553-A555 VanDerWaalsContact O-N 3.13Å; S553-L556 WeakPolarHBondContact O-CA 3.3Å; S553-L556 PolarHBondContact O-N 3.2Å; S553-L556 WeakPolarHBondContact OG-CG 3.23Å; S553-L556 PolarHBondContact OG-N 3.09Å; S553-S557 PolarHBondContact O-N 2.69Å; S553-S557 PolarHBondContact O-OG 2.91Å
554W76.7Confident82.3Confident77 Ų7736.4 Ų36.429%0.29219%0.186SC..Hα-helixtrans-50.6-40177.3175.984.2000112.6E346 F378 V379 K382 C383 S557 L558E346-W554 PolarHBondContact OE2-NE1 3.46Å; F378-W554 HydrophobicContact CD1-CH2 4.12Å; F378-W554 AromaticContact CE1-CH2 3.61Å; F378-W554 HydrophobicContact CE1-CH2 3.61Å; F378-W554 AromaticContact CE1-CZ2 3.77Å; F378-W554 HydrophobicContact CE1-CZ2 3.77Å; F378-W554 HydrophobicContact CZ-CH2 4.33Å; F378-W554 HydrophobicContact CZ-CZ2 4.4Å; V379-W554 HydrophobicContact CG2-CH2 4.25Å; V379-W554 HydrophobicContact CG2-CZ3 4.47Å; K382-W554 HydrophobicContact CB-CH2 4.02Å; K382-W554 HydrophobicContact CB-CZ3 3.68Å; K382-W554 HydrophobicContact CG-CH2 4.01Å; K382-W554 HydrophobicContact CG-CZ3 4.18Å; C383-W554 VanDerWaalsContact SG-CZ3 3.6Å; W554-S557 WeakPolarHBondContact CA-OG 3.37Å; W554-S557 PolarHBondContact O-N 3.34Å; W554-S557 PolarHBondContact O-OG 3.4Å; W554-L558 HydrophobicContact CE3-CD1 4.41Å; W554-L558 HydrophobicContact CH2-CD1 4Å; W554-L558 HydrophobicContact CZ2-CD1 4.24Å; W554-L558 HydrophobicContact CZ3-CD1 4.09Å; W554-L558 WeakPolarHBondContact O-CG 3.22Å; W554-L558 PolarHBondContact O-N 2.91Å
555A78.7Confident82.5Confident3 Ų334.8 Ų34.83%0.02517%0.174CC..Hα-helixtrans-63.2-46.7173.700000112.6Y454 Y455 L459 S553 S557 L558Y454-A555 HydrophobicContact CE1-CB 4.15Å; Y455-A555 HydrophobicContact CE1-CB 4.23Å; Y455-A555 WeakPolarHBondContact CE1-O 3.41Å; Y455-A555 PolarHBondContact OH-O 3.1Å; Y455-A555 VanDerWaalsContact OH-O 3.1Å; L459-A555 HydrophobicContact CD1-CB 3.67Å; S553-A555 PolarHBondContact O-N 2.79Å; S553-A555 VanDerWaalsContact O-N 3.13Å; A555-S557 VanDerWaalsContact C-N 3.32Å; A555-S557 PolarHBondContact O-N 2.91Å; A555-L558 WeakPolarHBondContact O-CB 3.5Å; A555-L558 PolarHBondContact O-N 3.24Å
556L83.6Confident82.7Confident15 Ų1537.8 Ų37.88%0.07919%0.187CC..Hα-helixtrans-65.4-33.3178.6-73171.4000112.5L459 V461 V464 L552 S553 L558 I559 I560L459-L556 HydrophobicContact CB-CD2 4.21Å; L459-L556 HydrophobicContact CD1-CD2 4.25Å; L459-L556 HydrophobicContact CD1-CG 4.26Å; V461-L556 HydrophobicContact CB-CD2 4.32Å; V461-L556 HydrophobicContact CG2-CD2 4.07Å; V464-L556 HydrophobicContact CG1-CD1 4.4Å; V464-L556 HydrophobicContact CG2-CD1 4.1Å; V464-L556 HydrophobicContact CG2-CD2 4.35Å; L552-L556 HydrophobicContact CB-CB 4.21Å; L552-L556 HydrophobicContact CD2-CB 4.09Å; S553-L556 WeakPolarHBondContact O-CA 3.3Å; S553-L556 PolarHBondContact O-N 3.2Å; S553-L556 WeakPolarHBondContact OG-CG 3.23Å; S553-L556 PolarHBondContact OG-N 3.09Å; L556-L558 PolarHBondContact O-N 3.49Å; L556-I559 PolarHBondContact O-N 3.44Å; L556-I560 PolarHBondContact O-N 2.83Å
557S82.1Confident82.9Confident42 Ų4239 Ų3929%0.29420%0.195SC..Hα-helixtrans-67.7-18.3175.147.90000114.2S553 W554 A555 I559 I560 P561S553-S557 PolarHBondContact O-N 2.69Å; S553-S557 PolarHBondContact O-OG 2.91Å; W554-S557 WeakPolarHBondContact CA-OG 3.37Å; W554-S557 PolarHBondContact O-N 3.34Å; W554-S557 PolarHBondContact O-OG 3.4Å; A555-S557 VanDerWaalsContact C-N 3.32Å; A555-S557 PolarHBondContact O-N 2.91Å; S557-I559 VanDerWaalsContact C-N 3.26Å; S557-I559 PolarHBondContact O-N 3.33Å; S557-I560 WeakPolarHBondContact CA-O 3.49Å; S557-I560 CarbonylContact O-C 3.43Å; S557-P561 VanDerWaalsContact O-CA 3.25Å; S557-P561 WeakPolarHBondContact O-CA 3.24Å
558L77.5Confident83.4Confident5 Ų537.2 Ų37.23%0.02619%0.187CC..Hα-helixtrans-71-23.2170.3-62.1175.3000112.4L348 L351 V379 W554 A555 L556 R645L348-L558 HydrophobicContact CD1-CB 4.22Å; L348-L558 HydrophobicContact CD2-CB 4.42Å; L348-L558 HydrophobicContact CD2-CD1 4.21Å; L348-L558 HydrophobicContact CD2-CD2 4.49Å; L348-L558 HydrophobicContact CG-CB 4.04Å; L348-L558 HydrophobicContact CG-CD2 4.2Å; L348-L558 HydrophobicContact CG-CG 4.5Å; L351-L558 HydrophobicContact CD1-CD2 4.45Å; V379-L558 HydrophobicContact CG1-CD1 4.32Å; V379-L558 HydrophobicContact CG2-CD1 3.53Å; W554-L558 HydrophobicContact CE3-CD1 4.41Å; W554-L558 HydrophobicContact CH2-CD1 4Å; W554-L558 HydrophobicContact CZ2-CD1 4.24Å; W554-L558 HydrophobicContact CZ3-CD1 4.09Å; W554-L558 WeakPolarHBondContact O-CG 3.22Å; W554-L558 PolarHBondContact O-N 2.91Å; A555-L558 WeakPolarHBondContact O-CB 3.5Å; A555-L558 PolarHBondContact O-N 3.24Å; L556-L558 PolarHBondContact O-N 3.49Å; L558-R645 WeakPolarHBondContact O-CD 3.46Å
559I82.9Confident83.6Confident0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-99.5-41.2179-48.6-54.3000111.3Y455 V461 L556 S557 P561 V641 L644Y455-I559 HydrophobicContact CD1-CD1 4.37Å; Y455-I559 HydrophobicContact CD1-CG1 3.79Å; Y455-I559 HydrophobicContact CE1-CD1 3.94Å; Y455-I559 HydrophobicContact CE1-CG1 3.42Å; Y455-I559 VanDerWaalsContact CE1-CG1 3.42Å; Y455-I559 HydrophobicContact CE2-CD1 4.09Å; Y455-I559 HydrophobicContact CE2-CG1 4.47Å; Y455-I559 HydrophobicContact CG-CG1 4.47Å; V461-I559 HydrophobicContact CG2-CG2 4.2Å; L556-I559 PolarHBondContact O-N 3.44Å; S557-I559 VanDerWaalsContact C-N 3.26Å; S557-I559 PolarHBondContact O-N 3.33Å; I559-P561 WeakPolarHBondContact O-CD 3.28Å; I559-V641 HydrophobicContact CD1-CG1 3.36Å; I559-L644 HydrophobicContact CG2-CD2 4.01Å; I559-L644 HydrophobicContact CG2-CG 4.17Å
560I85.2Confident83.9Confident2 Ų241.9 Ų41.91%0.0121%0.206CC..SBendtrans-111.777176.7-52.4174000107.3V464 L465 L552 L556 S557 V565V464-I560 HydrophobicContact CG1-CD1 3.92Å; L465-I560 HydrophobicContact CD2-CD1 3.72Å; L465-I560 HydrophobicContact CD2-CG1 4.02Å; L465-I560 HydrophobicContact CG-CD1 4.29Å; L552-I560 HydrophobicContact CD1-CB 3.97Å; L552-I560 HydrophobicContact CD1-CG2 3.97Å; L552-I560 WeakPolarHBondContact CD1-O 3.43Å; L552-I560 HydrophobicContact CD2-CD1 4.37Å; L556-I560 PolarHBondContact O-N 2.83Å; S557-I560 WeakPolarHBondContact CA-O 3.49Å; S557-I560 CarbonylContact O-C 3.43Å; I560-V565 HydrophobicContact CG2-CG2 4.09Å
561P80.9Confident84.3Confident20 Ų2040.8 Ų40.813%0.1320%0.199CC..  trans-66161.4-17928.3-36.3000111.8S557 I559 R563 S564 V565S557-P561 VanDerWaalsContact O-CA 3.25Å; S557-P561 WeakPolarHBondContact O-CA 3.24Å; I559-P561 WeakPolarHBondContact O-CD 3.28Å; P561-R563 HydrophobicContact CB-CG 4.17Å; P561-R563 HydrophobicContact CG-CG 3.86Å; P561-R563 PolarHBondContact O-N 3.23Å; P561-R563 VanDerWaalsContact O-N 3.15Å; P561-S564 WeakPolarHBondContact O-CA 3.32Å; P561-S564 WeakPolarHBondContact O-CB 3.37Å; P561-S564 PolarHBondContact O-N 3.42Å; P561-V565 PolarHBondContact O-N 2.96Å
562E80.1Confident84.8Confident105 Ų10535.1 Ų35.149%0.49117%0.172SC..Hα-helixtrans-56.2-36.4-175.7-161.8-174.9120.500112.7S564 V565 K566E562-S564 VanDerWaalsContact C-N 3.28Å; E562-S564 PolarHBondContact O-N 3.26Å; E562-V565 WeakPolarHBondContact O-CA 3.31Å; E562-V565 WeakPolarHBondContact O-CB 3.42Å; E562-V565 PolarHBondContact O-N 3.27Å; E562-K566 WeakPolarHBondContact O-CG 3.25Å; E562-K566 PolarHBondContact O-N 3.26Å; E562-K566 WeakPolarHBondContact OE1-CE 3.31Å; E562-K566 IonicContact OE1-NZ 3.91Å; E562-K566 PolarHBondContact OE1-NZ 3Å
563R84.3Confident85.1Confident118 Ų11836.2 Ų36.245%0.44517%0.174SC..Hα-helixtrans-53.9-38.7170.772-174.3-166.8-161.34.5113.9P561 K566 V567P561-R563 HydrophobicContact CB-CG 4.17Å; P561-R563 HydrophobicContact CG-CG 3.86Å; P561-R563 PolarHBondContact O-N 3.23Å; P561-R563 VanDerWaalsContact O-N 3.15Å; R563-K566 PolarHBondContact O-N 2.97Å; R563-V567 WeakPolarHBondContact O-CG2 3.42Å; R563-V567 PolarHBondContact O-N 3.3Å; R563-V567 VanDerWaalsContact O-N 3.13Å
564S89Confident85.7Confident4 Ų434.4 Ų34.43%0.02816%0.161CC..Hα-helixtrans-72.9-32.5177.5-59.60000111.4P561 E562 Y568P561-S564 WeakPolarHBondContact O-CA 3.32Å; P561-S564 WeakPolarHBondContact O-CB 3.37Å; P561-S564 PolarHBondContact O-N 3.42Å; E562-S564 VanDerWaalsContact C-N 3.28Å; E562-S564 PolarHBondContact O-N 3.26Å; S564-Y568 WeakPolarHBondContact O-CD2 3.42Å; S564-Y568 PolarHBondContact O-N 3.02Å
565V87.8Confident86.4Confident20 Ų2031 Ų3112%0.12115%0.148CC..Hα-helixtrans-68-42.3172.4-174.70000110.7F472 V550 L552 I560 P561 E562 V567 Y568 E569F472-V565 HydrophobicContact CZ-CG1 4.39Å; V550-V565 HydrophobicContact CG2-CG1 3.88Å; V550-V565 HydrophobicContact CG2-CG2 4.18Å; L552-V565 HydrophobicContact CD1-CG2 4.15Å; I560-V565 HydrophobicContact CG2-CG2 4.09Å; P561-V565 PolarHBondContact O-N 2.96Å; E562-V565 WeakPolarHBondContact O-CA 3.31Å; E562-V565 WeakPolarHBondContact O-CB 3.42Å; E562-V565 PolarHBondContact O-N 3.27Å; V565-V567 PolarHBondContact O-N 2.93Å; V565-Y568 WeakPolarHBondContact O-CB 3.47Å; V565-Y568 PolarHBondContact O-N 3.49Å; V565-E569 WeakPolarHBondContact O-CG 3.48Å; V565-E569 PolarHBondContact O-N 2.91Å
566K87.4Confident87.1Confident79 Ų7930.8 Ų30.834%0.34315%0.147SC..Hα-helixtrans-57.2-45.5174.7-69.2162-176156.20111.6E345 E562 R563 E569 E570E345-K566 IonicContact OE1-NZ 3.57Å; E345-K566 PolarHBondContact OE1-NZ 2.66Å; E562-K566 WeakPolarHBondContact O-CG 3.25Å; E562-K566 PolarHBondContact O-N 3.26Å; E562-K566 WeakPolarHBondContact OE1-CE 3.31Å; E562-K566 IonicContact OE1-NZ 3.91Å; E562-K566 PolarHBondContact OE1-NZ 3Å; R563-K566 PolarHBondContact O-N 2.97Å; K566-E569 WeakPolarHBondContact O-CB 3.46Å; K566-E569 PolarHBondContact O-N 3.33Å; K566-E570 WeakPolarHBondContact O-CG 3Å; K566-E570 PolarHBondContact O-N 3.02Å
567V90.4Very high87.5Confident30 Ų3030.2 Ų30.218%0.18214%0.143CC..Hα-helixtrans-63.7-43.2175171.50000112.2R563 V565 E569 E570 I571 L652 Q656R563-V567 WeakPolarHBondContact O-CG2 3.42Å; R563-V567 PolarHBondContact O-N 3.3Å; R563-V567 VanDerWaalsContact O-N 3.13Å; V565-V567 PolarHBondContact O-N 2.93Å; V567-E569 VanDerWaalsContact C-N 3.31Å; V567-E569 PolarHBondContact O-N 3.22Å; V567-E570 PolarHBondContact O-N 2.78Å; V567-I571 HydrophobicContact CG1-CD1 3.8Å; V567-I571 HydrophobicContact CG1-CG1 4.5Å; V567-I571 WeakPolarHBondContact O-CG1 3.16Å; V567-I571 PolarHBondContact O-N 3.1Å; V567-L652 HydrophobicContact CG1-CB 4.03Å; V567-L652 HydrophobicContact CG1-CD1 4.43Å; V567-L652 HydrophobicContact CG1-CD2 4.39Å; V567-Q656 HydrophobicContact CG1-CG 4.15Å
568Y91.5Very high88Confident1 Ų128.2 Ų28.20%0.00413%0.129CC..Hα-helixtrans-58.6-40172.8-93-57.7000112.2C468 D469 F472 L473 S564 V565 W572 H648 L652C468-Y568 HydrophobicContact CB-CE1 4.28Å; C468-Y568 HydrophobicContact CB-CE2 3.94Å; D469-Y568 PolarHBondContact OD1-OH 2.74Å; F472-Y568 HydrophobicContact CB-CD1 3.55Å; F472-Y568 HydrophobicContact CB-CE1 4.28Å; F472-Y568 HydrophobicContact CB-CG 4.17Å; F472-Y568 WeakPolarHBondContact CD1-O 3.42Å; F472-Y568 AromaticContact CD2-CD1 3.85Å; F472-Y568 HydrophobicContact CD2-CD1 3.85Å; F472-Y568 HydrophobicContact CD2-CD2 4.34Å; F472-Y568 HydrophobicContact CD2-CE1 4.43Å; F472-Y568 AromaticContact CD2-CG 3.8Å; F472-Y568 HydrophobicContact CD2-CG 3.8Å; F472-Y568 HydrophobicContact CE2-CG 4.26Å; F472-Y568 AromaticContact CG-CD1 3.85Å; F472-Y568 HydrophobicContact CG-CD1 3.85Å; F472-Y568 AromaticContact CG-CG 3.95Å; F472-Y568 HydrophobicContact CG-CG 3.95Å; L473-Y568 HydrophobicContact CD1-CE1 4.22Å; L473-Y568 HydrophobicContact CD2-CD1 4.25Å; L473-Y568 HydrophobicContact CD2-CE1 4.34Å; L473-Y568 HydrophobicContact CG-CD1 4.47Å; L473-Y568 HydrophobicContact CG-CE1 4.18Å; S564-Y568 WeakPolarHBondContact O-CD2 3.42Å; S564-Y568 PolarHBondContact O-N 3.02Å; V565-Y568 WeakPolarHBondContact O-CB 3.47Å; V565-Y568 PolarHBondContact O-N 3.49Å; Y568-W572 VanDerWaalsContact O-CB 3.28Å; Y568-W572 WeakPolarHBondContact O-CB 3.28Å; Y568-W572 PolarHBondContact O-N 2.9Å; Y568-H648 AromaticContact CE2-CE1 3.71Å; Y568-H648 AromaticContact CE2-NE2 3.39Å; Y568-H648 WeakPolarHBondContact CE2-NE2 3.45Å; Y568-H648 AromaticContact CZ-NE2 3.64Å; Y568-H648 PolarHBondContact OH-NE2 2.71Å; Y568-L652 HydrophobicContact CD1-CD2 3.76Å; Y568-L652 HydrophobicContact CD2-CD1 4.17Å; Y568-L652 HydrophobicContact CD2-CD2 4.05Å; Y568-L652 HydrophobicContact CE1-CD2 3.69Å; Y568-L652 HydrophobicContact CE2-CD1 4.2Å; Y568-L652 HydrophobicContact CE2-CD2 3.98Å; Y568-L652 HydrophobicContact CG-CD2 3.95Å
569E88.8Confident88.8Confident23 Ų2329.2 Ų29.211%0.10714%0.135CC..Hα-helixtrans-66.4-40.5175.6-70.6-176.1173.800112.9F472 Q547 V565 K566 V567 W572 R573F472-E569 HydrophobicContact CE1-CG 4.05Å; Q547-E569 PolarHBondContact NE2-OE1 3Å; Q547-E569 PolarHBondContact NE2-OE2 2.99Å; Q547-E569 VanDerWaalsContact NE2-OE2 3.1Å; V565-E569 WeakPolarHBondContact O-CG 3.48Å; V565-E569 PolarHBondContact O-N 2.91Å; K566-E569 WeakPolarHBondContact O-CB 3.46Å; K566-E569 PolarHBondContact O-N 3.33Å; V567-E569 VanDerWaalsContact C-N 3.31Å; V567-E569 PolarHBondContact O-N 3.22Å; E569-W572 PolarHBondContact O-N 3.04Å; E569-R573 VanDerWaalsContact O-CG 3.28Å; E569-R573 WeakPolarHBondContact O-CG 3.24Å; E569-R573 PolarHBondContact O-N 2.69Å; E569-R573 IonicContact OE2-CZ 2.91Å; E569-R573 IonicContact OE2-NH1 3.41Å; E569-R573 IonicContact OE2-NH2 2.73Å; E569-R573 PolarHBondContact OE2-NH2 2.89Å
570E88.6Confident89.4Confident100 Ų10029.2 Ų29.247%0.46714%0.135SC..Hα-helixtrans-64-45.3177.5-72.9170.3176.500112.1K566 V567 R573 T574K566-E570 WeakPolarHBondContact O-CG 3Å; K566-E570 PolarHBondContact O-N 3.02Å; V567-E570 PolarHBondContact O-N 2.78Å; E570-R573 PolarHBondContact O-N 3.2Å; E570-T574 PolarHBondContact O-N 3.07Å; E570-T574 PolarHBondContact O-OG1 2.72Å
571I91.9Very high89.8Confident1 Ų129.1 Ų29.11%0.00514%0.135CC..Hα-helixtrans-60-49.2172.8-65.8162.7000109.8L473 V567 R573 T574 L575 L652 I655 Q656 F661L473-I571 HydrophobicContact CD2-CB 4.41Å; L473-I571 HydrophobicContact CD2-CG2 3.5Å; V567-I571 HydrophobicContact CG1-CD1 3.8Å; V567-I571 HydrophobicContact CG1-CG1 4.5Å; V567-I571 WeakPolarHBondContact O-CG1 3.16Å; V567-I571 PolarHBondContact O-N 3.1Å; I571-R573 PolarHBondContact O-N 3.44Å; I571-T574 WeakPolarHBondContact O-CB 3.46Å; I571-T574 PolarHBondContact O-N 3.33Å; I571-L575 HydrophobicContact CG2-CD1 3.71Å; I571-L575 HydrophobicContact CG2-CG 4.27Å; I571-L575 WeakPolarHBondContact O-CG 3.28Å; I571-L575 PolarHBondContact O-N 3.38Å; I571-L652 HydrophobicContact CD1-CD2 4.33Å; I571-I655 HydrophobicContact CD1-CB 4.31Å; I571-I655 HydrophobicContact CD1-CG2 3.86Å; I571-I655 HydrophobicContact CG1-CG2 4.37Å; I571-I655 HydrophobicContact CG2-CG2 4.25Å; I571-Q656 HydrophobicContact CD1-CG 4.05Å; I571-Q656 HydrophobicContact CG1-CG 4.21Å; I571-F661 HydrophobicContact CG1-CD2 4.47Å; I571-F661 HydrophobicContact CG2-CE2 4.36Å
572W91.7Very high90.5Very high0 Ų028.8 Ų28.80%013%0.132CC..Hα-helixtrans-61.1-41.3-179.5175.386.4000113.2F472 W482 F485 F526 I546 Q547 P548 Y568 E569 T574 L575 C576F472-W572 HydrophobicContact CB-CB 4.29Å; F472-W572 HydrophobicContact CD1-CB 3.95Å; F472-W572 HydrophobicContact CD1-CG 4.37Å; F472-W572 WeakPolarHBondContact O-CB 3.47Å; W482-W572 AromaticContact CH2-CD1 3.79Å; W482-W572 AromaticContact CH2-NE1 3.84Å; F485-W572 AromaticContact CE2-CZ2 3.76Å; F485-W572 HydrophobicContact CE2-CZ2 3.76Å; F485-W572 HydrophobicContact CZ-CZ2 4.08Å; F526-W572 HydrophobicContact CE1-CZ2 4.28Å; I546-W572 HydrophobicContact CG2-CH2 4.48Å; I546-W572 WeakPolarHBondContact O-CH2 3.44Å; I546-W572 WeakPolarHBondContact O-CZ3 3.46Å; Q547-W572 HydrophobicContact CB-CZ3 4.32Å; P548-W572 HydrophobicContact CG-CD2 3.9Å; P548-W572 HydrophobicContact CG-CE3 4.41Å; P548-W572 HydrophobicContact CG-CG 4.09Å; P548-W572 HydrophobicContact CG-CZ2 4.37Å; Y568-W572 VanDerWaalsContact O-CB 3.28Å; Y568-W572 WeakPolarHBondContact O-CB 3.28Å; Y568-W572 PolarHBondContact O-N 2.9Å; E569-W572 PolarHBondContact O-N 3.04Å; W572-T574 VanDerWaalsContact C-N 3.31Å; W572-T574 PolarHBondContact O-N 3.47Å; W572-L575 PolarHBondContact O-N 2.93Å; W572-C576 VanDerWaalsContact O-CB 3.25Å; W572-C576 WeakPolarHBondContact O-CB 3.34Å; W572-C576 PolarHBondContact O-N 2.88Å
573R89.7Confident91.2Very high64 Ų6425.2 Ų25.224%0.24211%0.114CC..Hα-helixtrans-59.5-43.4176.4-73.8172.4-165.8114.23.3111E569 E570 I571 C576 Y577E569-R573 VanDerWaalsContact O-CG 3.28Å; E569-R573 WeakPolarHBondContact O-CG 3.24Å; E569-R573 PolarHBondContact O-N 2.69Å; E569-R573 IonicContact OE2-CZ 2.91Å; E569-R573 IonicContact OE2-NH1 3.41Å; E569-R573 IonicContact OE2-NH2 2.73Å; E569-R573 PolarHBondContact OE2-NH2 2.89Å; E570-R573 PolarHBondContact O-N 3.2Å; I571-R573 PolarHBondContact O-N 3.44Å; R573-C576 PolarHBondContact O-N 3.36Å; R573-Y577 PolarHBondContact O-N 3.2Å; R573-Y577 VanDerWaalsContact O-N 3.1Å
574T90.8Very high91.7Very high14 Ų1419.7 Ų19.79%0.0869%0.093CC..Hα-helixtrans-62.9-47.7177.3-51.90000111.4E570 I571 W572 C576 Y577 A578 F661 M671E570-T574 PolarHBondContact O-N 3.07Å; E570-T574 PolarHBondContact O-OG1 2.72Å; I571-T574 WeakPolarHBondContact O-CB 3.46Å; I571-T574 PolarHBondContact O-N 3.33Å; W572-T574 VanDerWaalsContact C-N 3.31Å; W572-T574 PolarHBondContact O-N 3.47Å; T574-C576 PolarHBondContact O-N 2.95Å; T574-Y577 PolarHBondContact O-N 3.25Å; T574-A578 PolarHBondContact O-N 2.96Å; T574-F661 HydrophobicContact CG2-CD1 4.39Å; T574-F661 HydrophobicContact CG2-CE1 3.77Å; T574-F661 HydrophobicContact CG2-CE2 4.16Å; T574-F661 HydrophobicContact CG2-CZ 3.64Å; T574-M671 HydrophobicContact CG2-SD 4.35Å
575L92.4Very high91.9Very high4 Ų419.5 Ų19.52%0.0219%0.092CC..Hα-helixtrans-65.3-38178.5-66.1170.8000112.9W482 I571 W572 Y577 A578 N579 I620 I624W482-L575 HydrophobicContact CH2-CB 3.77Å; W482-L575 HydrophobicContact CZ2-CB 3.5Å; W482-L575 VanDerWaalsContact CZ2-CB 3.5Å; W482-L575 HydrophobicContact CZ2-CD1 4.22Å; W482-L575 HydrophobicContact CZ2-CG 4.48Å; I571-L575 HydrophobicContact CG2-CD1 3.71Å; I571-L575 HydrophobicContact CG2-CG 4.27Å; I571-L575 WeakPolarHBondContact O-CG 3.28Å; I571-L575 PolarHBondContact O-N 3.38Å; W572-L575 PolarHBondContact O-N 2.93Å; L575-Y577 VanDerWaalsContact C-N 3.31Å; L575-Y577 PolarHBondContact O-N 3.42Å; L575-A578 PolarHBondContact O-N 3.4Å; L575-N579 WeakPolarHBondContact O-CB 3.43Å; L575-N579 PolarHBondContact O-N 3.4Å; L575-N579 PolarHBondContact O-ND2 2.87Å; L575-I620 HydrophobicContact CD2-CG2 3.42Å; L575-I620 VanDerWaalsContact CD2-CG2 3.42Å; L575-I624 HydrophobicContact CD1-CD1 3.62Å; L575-I624 HydrophobicContact CD2-CD1 3.6Å; L575-I624 HydrophobicContact CG-CD1 4.17Å
576C91.8Very high92.1Very high0 Ų023.4 Ų23.40%011%0.107CC..Hα-helixtrans-63.9-40176.9-159.30000110.7W482 F543 W572 R573 T574 F580W482-C576 HydrophobicContact CH2-CB 4.07Å; W482-C576 HydrophobicContact CZ3-CB 3.85Å; F543-C576 HydrophobicContact CD1-CB 4.28Å; F543-C576 WeakPolarHBondContact CD1-SG 3.24Å; F543-C576 HydrophobicContact CD2-CB 4.39Å; F543-C576 WeakPolarHBondContact CE1-SG 3.47Å; F543-C576 HydrophobicContact CG-CB 4.18Å; W572-C576 VanDerWaalsContact O-CB 3.25Å; W572-C576 WeakPolarHBondContact O-CB 3.34Å; W572-C576 PolarHBondContact O-N 2.88Å; R573-C576 PolarHBondContact O-N 3.36Å; T574-C576 PolarHBondContact O-N 2.95Å; C576-F580 WeakPolarHBondContact O-CB 3.46Å; C576-F580 PolarHBondContact O-N 3.34Å
577Y93.1Very high92.4Very high2 Ų221.6 Ų21.61%0.00810%0.103CC..Hα-helixtrans-65.9-47.4174.7-152.1-70.3000112.5L537 S539 L542 F543 R573 T574 L575 F580 S581 M671 F674 K675 I678L537-Y577 PolarHBondContact O-OH 2.97Å; S539-Y577 WeakPolarHBondContact O-CE2 3.28Å; L542-Y577 HydrophobicContact CB-CD2 4.26Å; L542-Y577 HydrophobicContact CB-CE2 3.79Å; L542-Y577 HydrophobicContact CD2-CD2 4.38Å; L542-Y577 HydrophobicContact CD2-CE2 3.86Å; L542-Y577 HydrophobicContact CG-CE2 4.44Å; F543-Y577 AromaticContact CD2-CD2 3.9Å; F543-Y577 HydrophobicContact CD2-CD2 3.9Å; F543-Y577 HydrophobicContact CD2-CG 4.41Å; F543-Y577 HydrophobicContact CE2-CD2 4.06Å; F543-Y577 HydrophobicContact CE2-CG 4.33Å; R573-Y577 PolarHBondContact O-N 3.2Å; R573-Y577 VanDerWaalsContact O-N 3.1Å; T574-Y577 PolarHBondContact O-N 3.25Å; L575-Y577 VanDerWaalsContact C-N 3.31Å; L575-Y577 PolarHBondContact O-N 3.42Å; Y577-F580 PolarHBondContact O-N 3.41Å; Y577-S581 PolarHBondContact O-N 3.48Å; Y577-M671 HydrophobicContact CD1-CE 4.03Å; Y577-M671 HydrophobicContact CD2-CE 3.79Å; Y577-M671 HydrophobicContact CE1-CE 4.41Å; Y577-M671 HydrophobicContact CE2-CE 4.19Å; Y577-M671 HydrophobicContact CG-CE 3.73Å; Y577-F674 HydrophobicContact CD1-CB 3.7Å; Y577-F674 HydrophobicContact CE1-CB 3.83Å; Y577-K675 HydrophobicContact CE1-CG 4.26Å; Y577-K675 WeakPolarHBondContact OH-CG 3.36Å; Y577-I678 HydrophobicContact CD1-CD1 4.28Å; Y577-I678 HydrophobicContact CE1-CD1 3.5Å; Y577-I678 VanDerWaalsContact CE1-CD1 3.5Å
578A93.1Very high92.4Very high0 Ų020.4 Ų20.40%010%0.096CC..Hα-helixtrans-59-53.6178.400000111.4T574 L575 F580 S581 V582 N617 F674T574-A578 PolarHBondContact O-N 2.96Å; L575-A578 PolarHBondContact O-N 3.4Å; A578-F580 PolarHBondContact O-N 3.3Å; A578-S581 PolarHBondContact O-N 3.05Å; A578-S581 PolarHBondContact O-OG 3Å; A578-V582 PolarHBondContact O-N 3.16Å; A578-V582 VanDerWaalsContact O-N 3.15Å; A578-N617 HydrophobicContact CB-CB 4.49Å; A578-N617 WeakPolarHBondContact CB-OD1 3.43Å; A578-F674 HydrophobicContact CB-CD1 4.5Å; A578-F674 HydrophobicContact CB-CD2 4.14Å; A578-F674 HydrophobicContact CB-CE1 3.99Å; A578-F674 HydrophobicContact CB-CE2 3.59Å; A578-F674 HydrophobicContact CB-CZ 3.51Å
579N93.4Very high92.1Very high27 Ų2722.3 Ų22.314%0.14411%0.108CC..Hα-helixtrans-65.3-36.2-179.9-73.4-78000112.6W482 F490 L575 W583 N617W482-N579 HydrophobicContact CD2-CB 4.39Å; W482-N579 HydrophobicContact CE3-CB 4.36Å; F490-N579 HydrophobicContact CE2-CB 4.32Å; F490-N579 HydrophobicContact CZ-CB 4.33Å; L575-N579 WeakPolarHBondContact O-CB 3.43Å; L575-N579 PolarHBondContact O-N 3.4Å; L575-N579 PolarHBondContact O-ND2 2.87Å; N579-W583 WeakPolarHBondContact O-CB 3.36Å; N579-W583 PolarHBondContact O-N 3.41Å; N579-N617 PolarHBondContact ND2-OD1 3.09Å; N579-N617 PolarHBondContact OD1-ND2 2.99Å
580F94.7Very high92Very high0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-61-45.6172.4175-115.2000112F490 I493 A494 L542 F543 C576 Y577 A578 V582 W583 Y584 I678F490-F580 HydrophobicContact CB-CD2 3.78Å; F490-F580 HydrophobicContact CB-CE2 4.17Å; F490-F580 HydrophobicContact CD1-CB 4.1Å; F490-F580 AromaticContact CD1-CD2 3.71Å; F490-F580 HydrophobicContact CD1-CD2 3.71Å; F490-F580 HydrophobicContact CD1-CG 4.31Å; F490-F580 HydrophobicContact CD2-CD2 4.38Å; F490-F580 HydrophobicContact CE1-CB 3.88Å; F490-F580 HydrophobicContact CE1-CD2 4.37Å; F490-F580 HydrophobicContact CE2-CB 4.42Å; F490-F580 HydrophobicContact CG-CB 4.47Å; F490-F580 AromaticContact CG-CD2 3.72Å; F490-F580 HydrophobicContact CG-CD2 3.72Å; F490-F580 HydrophobicContact CZ-CB 4.05Å; I493-F580 HydrophobicContact CB-CE2 4.14Å; I493-F580 HydrophobicContact CB-CZ 4.29Å; I493-F580 HydrophobicContact CG2-CE1 4.04Å; I493-F580 HydrophobicContact CG2-CE2 3.85Å; I493-F580 HydrophobicContact CG2-CZ 3.53Å; A494-F580 HydrophobicContact CB-CE2 4.46Å; L542-F580 HydrophobicContact CD2-CD1 4.04Å; L542-F580 HydrophobicContact CD2-CE1 3.98Å; F543-F580 HydrophobicContact CE2-CB 4.13Å; F543-F580 HydrophobicContact CE2-CD1 4.26Å; F543-F580 HydrophobicContact CE2-CG 4.37Å; F543-F580 HydrophobicContact CZ-CB 3.73Å; F543-F580 HydrophobicContact CZ-CD1 4.07Å; F543-F580 AromaticContact CZ-CG 3.85Å; F543-F580 HydrophobicContact CZ-CG 3.85Å; C576-F580 WeakPolarHBondContact O-CB 3.46Å; C576-F580 PolarHBondContact O-N 3.34Å; Y577-F580 PolarHBondContact O-N 3.41Å; A578-F580 PolarHBondContact O-N 3.3Å; F580-V582 PolarHBondContact O-N 3.17Å; F580-W583 HydrophobicContact CD2-CE3 4.08Å; F580-W583 HydrophobicContact CD2-CZ3 4.41Å; F580-W583 HydrophobicContact CE2-CE3 4.11Å; F580-W583 AromaticContact CE2-CZ3 4Å; F580-W583 HydrophobicContact CE2-CZ3 4Å; F580-W583 PolarHBondContact O-N 2.87Å; F580-Y584 HydrophobicContact CZ-CD1 4.27Å; F580-Y584 VanDerWaalsContact O-CB 3.25Å; F580-Y584 WeakPolarHBondContact O-CB 3.42Å; F580-Y584 PolarHBondContact O-N 3.2Å; F580-I678 HydrophobicContact CD1-CD1 3.74Å; F580-I678 HydrophobicContact CD1-CG1 4.32Å; F580-I678 HydrophobicContact CE1-CD1 3.83Å; F580-I678 HydrophobicContact CE1-CG1 4.18Å
581S94.8Very high91.8Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-63-42.5-178.974.90000112.7Y577 A578 Y584 A585 F674Y577-S581 PolarHBondContact O-N 3.48Å; A578-S581 PolarHBondContact O-N 3.05Å; A578-S581 PolarHBondContact O-OG 3Å; S581-Y584 PolarHBondContact O-N 2.99Å; S581-A585 WeakPolarHBondContact O-CB 3.48Å; S581-A585 PolarHBondContact O-N 2.86Å; S581-F674 WeakPolarHBondContact OG-CD1 3.21Å
582V94.2Very high91.4Very high12 Ų1223.2 Ų23.27%0.07312%0.121CC..Hα-helixtrans-69.7-45.7177.41760000111.3A578 F580 Y584 A585 K586 A613 D614 N617A578-V582 PolarHBondContact O-N 3.16Å; A578-V582 VanDerWaalsContact O-N 3.15Å; F580-V582 PolarHBondContact O-N 3.17Å; V582-Y584 VanDerWaalsContact C-N 3.27Å; V582-Y584 PolarHBondContact O-N 3.37Å; V582-A585 PolarHBondContact O-N 3.27Å; V582-K586 WeakPolarHBondContact O-CB 3.35Å; V582-K586 PolarHBondContact O-N 3.04Å; V582-A613 HydrophobicContact CG2-CB 3.91Å; V582-A613 WeakPolarHBondContact CG2-O 3.41Å; V582-D614 HydrophobicContact CG1-CB 4.13Å; V582-D614 WeakPolarHBondContact CG1-OD1 3.36Å; V582-D614 HydrophobicContact CG2-CB 4.47Å; V582-N617 HydrophobicContact CG2-CB 3.79Å
583W95.1Very high90.7Very high30 Ų3029.8 Ų29.811%0.11416%0.155CC..Hα-helixtrans-57.5-41.5174.6169.785.5000111.9E486 F490 P491 A494 N579 F580 K586 T587E486-W583 HydrophobicContact CB-CG 4.45Å; E486-W583 HydrophobicContact CG-CB 4.31Å; E486-W583 HydrophobicContact CG-CG 3.95Å; E486-W583 PolarHBondContact O-NE1 3.2Å; E486-W583 VanDerWaalsContact OE2-CD1 3.31Å; F490-W583 HydrophobicContact CB-CD2 3.76Å; F490-W583 HydrophobicContact CB-CE3 3.54Å; F490-W583 HydrophobicContact CB-CG 4.49Å; F490-W583 HydrophobicContact CB-CH2 4.1Å; F490-W583 HydrophobicContact CB-CZ2 4.26Å; F490-W583 HydrophobicContact CB-CZ3 3.73Å; F490-W583 HydrophobicContact CD2-CB 4.01Å; F490-W583 HydrophobicContact CD2-CD2 4.01Å; F490-W583 HydrophobicContact CD2-CE3 4.29Å; F490-W583 AromaticContact CD2-CG 3.87Å; F490-W583 HydrophobicContact CD2-CG 3.87Å; F490-W583 HydrophobicContact CE2-CB 4.42Å; F490-W583 HydrophobicContact CG-CD2 4.38Å; F490-W583 HydrophobicContact CG-CE3 4.3Å; P491-W583 HydrophobicContact CB-CH2 4.44Å; P491-W583 HydrophobicContact CG-CH2 4.17Å; P491-W583 HydrophobicContact CG-CZ2 3.86Å; A494-W583 HydrophobicContact CB-CH2 4.15Å; A494-W583 HydrophobicContact CB-CZ3 3.92Å; N579-W583 WeakPolarHBondContact O-CB 3.36Å; N579-W583 PolarHBondContact O-N 3.41Å; F580-W583 HydrophobicContact CD2-CE3 4.08Å; F580-W583 HydrophobicContact CD2-CZ3 4.41Å; F580-W583 HydrophobicContact CE2-CE3 4.11Å; F580-W583 AromaticContact CE2-CZ3 4Å; F580-W583 HydrophobicContact CE2-CZ3 4Å; F580-W583 PolarHBondContact O-N 2.87Å; W583-K586 PolarHBondContact O-N 2.94Å; W583-T587 WeakPolarHBondContact O-CB 3.47Å; W583-T587 PolarHBondContact O-N 3.42Å; W583-T587 PolarHBondContact O-OG1 2.98Å
584Y94.9Very high90.3Very high3 Ų335.1 Ų35.11%0.01218%0.175CC..Hα-helixtrans-71.8-37.4-177.1-169-152.2000111.6A494 F580 S581 V582 T587 T588 I678 C681 E682 R685A494-Y584 HydrophobicContact CB-CD2 4.06Å; A494-Y584 HydrophobicContact CB-CE2 3.77Å; F580-Y584 HydrophobicContact CZ-CD1 4.27Å; F580-Y584 VanDerWaalsContact O-CB 3.25Å; F580-Y584 WeakPolarHBondContact O-CB 3.42Å; F580-Y584 PolarHBondContact O-N 3.2Å; S581-Y584 PolarHBondContact O-N 2.99Å; V582-Y584 VanDerWaalsContact C-N 3.27Å; V582-Y584 PolarHBondContact O-N 3.37Å; Y584-T587 PolarHBondContact O-N 2.91Å; Y584-T588 WeakPolarHBondContact O-CB 3.27Å; Y584-T588 PolarHBondContact O-N 2.92Å; Y584-T588 PolarHBondContact O-OG1 3.39Å; Y584-I678 HydrophobicContact CD1-CG2 4.17Å; Y584-I678 HydrophobicContact CE1-CG2 4.21Å; Y584-C681 HydrophobicContact CD1-CB 3.74Å; Y584-C681 HydrophobicContact CE1-CB 3.66Å; Y584-C681 HydrophobicContact CG-CB 4.25Å; Y584-E682 WeakPolarHBondContact CE1-OE1 3.45Å; Y584-E682 PolarHBondContact OH-OE1 3.19Å; Y584-R685 WeakPolarHBondContact OH-CD 3.48Å; Y584-R685 PolarHBondContact OH-NH1 3.2Å
585A93.6Very high89.4Confident0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-67-44.7173.100000112.6S581 V582 T587 T588 C589 F606 H610 T677 C681S581-A585 WeakPolarHBondContact O-CB 3.48Å; S581-A585 PolarHBondContact O-N 2.86Å; V582-A585 PolarHBondContact O-N 3.27Å; A585-T587 VanDerWaalsContact C-N 3.31Å; A585-T587 PolarHBondContact O-N 3.34Å; A585-T588 PolarHBondContact O-N 3.05Å; A585-C589 VanDerWaalsContact O-CB 3.27Å; A585-C589 WeakPolarHBondContact O-CB 3.14Å; A585-C589 PolarHBondContact O-N 3.12Å; A585-F606 HydrophobicContact CB-CE2 4.14Å; A585-F606 HydrophobicContact CB-CZ 4.01Å; A585-F606 WeakPolarHBondContact O-CZ 3.46Å; A585-H610 HydrophobicContact CB-CB 4Å; A585-H610 WeakPolarHBondContact CB-CD2 3.37Å; A585-T677 HydrophobicContact CB-CG2 3.88Å; A585-C681 VanDerWaalsContact CA-SG 3.53Å
586K92.7Very high88.1Confident102 Ų10247.6 Ų47.644%0.44324%0.236SC..Hα-helixtrans-56.9-41.7172.1176.2-173.5171.1-165.10112.4E486 V582 W583 S590E486-K586 IonicContact OE2-NZ 2.74Å; E486-K586 PolarHBondContact OE2-NZ 3.33Å; V582-K586 WeakPolarHBondContact O-CB 3.35Å; V582-K586 PolarHBondContact O-N 3.04Å; W583-K586 PolarHBondContact O-N 2.94Å; K586-S590 PolarHBondContact O-N 3.49Å; K586-S590 VanDerWaalsContact O-N 3.09Å; K586-S590 PolarHBondContact O-OG 3.43Å
587T92.4Very high86.5Confident41 Ų4155.8 Ų55.825%0.25227%0.274SS..Hα-helixtrans-66.6-51.2176.1-59.30000111.1W583 Y584 A585 C589 S590 D591W583-T587 WeakPolarHBondContact O-CB 3.47Å; W583-T587 PolarHBondContact O-N 3.42Å; W583-T587 PolarHBondContact O-OG1 2.98Å; Y584-T587 PolarHBondContact O-N 2.91Å; A585-T587 VanDerWaalsContact C-N 3.31Å; A585-T587 PolarHBondContact O-N 3.34Å; T587-C589 VanDerWaalsContact C-N 3.29Å; T587-C589 PolarHBondContact O-N 3.29Å; T587-S590 WeakPolarHBondContact O-CA 3.43Å; T587-S590 WeakPolarHBondContact O-CB 3.49Å; T587-S590 PolarHBondContact O-N 3.12Å; T587-D591 PolarHBondContact O-N 2.96Å
588T90.8Very high85Confident5 Ų557.2 Ų57.23%0.03129%0.29CS..Hα-helixtrans-59.7-38.7178.4-57.10000112Y584 A585 D591 L592 F606 C681 I684 R685Y584-T588 WeakPolarHBondContact O-CB 3.27Å; Y584-T588 PolarHBondContact O-N 2.92Å; Y584-T588 PolarHBondContact O-OG1 3.39Å; A585-T588 PolarHBondContact O-N 3.05Å; T588-D591 PolarHBondContact O-N 3.15Å; T588-L592 PolarHBondContact O-N 3.36Å; T588-F606 HydrophobicContact CG2-CE1 4.2Å; T588-F606 HydrophobicContact CG2-CZ 3.98Å; T588-C681 HydrophobicContact CG2-CB 4.47Å; T588-I684 HydrophobicContact CG2-CB 4.16Å; T588-I684 HydrophobicContact CG2-CG2 3.72Å; T588-R685 HydrophobicContact CG2-CG 4.49Å
589C86.2Confident84.2Confident40 Ų4061.2 Ų61.227%0.2731%0.311SS..Hα-helixtrans-62-43.1173-171.90000112.1A585 T587 D591 L592 L593 F606A585-C589 VanDerWaalsContact O-CB 3.27Å; A585-C589 WeakPolarHBondContact O-CB 3.14Å; A585-C589 PolarHBondContact O-N 3.12Å; T587-C589 VanDerWaalsContact C-N 3.29Å; T587-C589 PolarHBondContact O-N 3.29Å; C589-D591 VanDerWaalsContact C-N 3.31Å; C589-D591 PolarHBondContact O-N 2.98Å; C589-L592 PolarHBondContact O-N 3.3Å; C589-L593 WeakPolarHBondContact O-CG 3.34Å; C589-L593 PolarHBondContact O-N 3.01Å; C589-F606 HydrophobicContact CB-CE1 3.93Å
590S85.8Confident83.5Confident51 Ų5165.3 Ų65.336%0.35734%0.337SS..Hα-helixtrans-63.1-36.9178.2-57.90000112.3K586 T587 R594K586-S590 PolarHBondContact O-N 3.49Å; K586-S590 VanDerWaalsContact O-N 3.09Å; K586-S590 PolarHBondContact O-OG 3.43Å; T587-S590 WeakPolarHBondContact O-CA 3.43Å; T587-S590 WeakPolarHBondContact O-CB 3.49Å; T587-S590 PolarHBondContact O-N 3.12Å; S590-R594 WeakPolarHBondContact O-CD 3.49Å; S590-R594 VanDerWaalsContact O-CG 3.3Å; S590-R594 WeakPolarHBondContact O-CG 3.33Å; S590-R594 PolarHBondContact O-N 3.46Å
591D84.8Confident82.8Confident56 Ų5670.2 Ų70.230%0.29936%0.358SS..Hα-helixtrans-78-34.9178-67.8-26.7000112.8T587 T588 C589 L593 R594 N595T587-D591 PolarHBondContact O-N 2.96Å; T588-D591 PolarHBondContact O-N 3.15Å; C589-D591 VanDerWaalsContact C-N 3.31Å; C589-D591 PolarHBondContact O-N 2.98Å; D591-L593 VanDerWaalsContact C-N 3.33Å; D591-L593 PolarHBondContact O-N 3.45Å; D591-R594 PolarHBondContact O-N 3.09Å; D591-R594 IonicContact OD1-CZ 3.7Å; D591-R594 IonicContact OD1-NH1 3.8Å; D591-R594 PolarHBondContact OD1-NH1 3.09Å; D591-N595 WeakPolarHBondContact O-CB 3.48Å; D591-N595 VanDerWaalsContact O-CG 3.23Å; D591-N595 PolarHBondContact O-N 3.47Å; D591-N595 PolarHBondContact O-ND2 3.19Å
592L82.4Confident82.1Confident37 Ų3770.8 Ų70.819%0.19436%0.362CS..Hα-helixtrans-57.3-45.4168.3-80.5177.8000111.9T588 C589 R594 N595 Q596 F606 I684T588-L592 PolarHBondContact O-N 3.36Å; C589-L592 PolarHBondContact O-N 3.3Å; L592-R594 VanDerWaalsContact C-N 3.32Å; L592-R594 PolarHBondContact O-N 3.1Å; L592-N595 PolarHBondContact O-N 2.94Å; L592-Q596 PolarHBondContact O-N 2.97Å; L592-F606 HydrophobicContact CD1-CD1 3.95Å; L592-F606 HydrophobicContact CD1-CE1 4.21Å; L592-I684 HydrophobicContact CD1-CG2 3.87Å; L592-I684 HydrophobicContact CD2-CG2 3.86Å; L592-I684 HydrophobicContact CG-CG2 3.98Å
593L78.7Confident81.5Confident137 Ų13772.5 Ų72.572%0.71737%0.374SS*.Hα-helixtrans-63.9-35.2178.7-72.6169.1000112.6C589 D591C589-L593 WeakPolarHBondContact O-CG 3.34Å; C589-L593 PolarHBondContact O-N 3.01Å; D591-L593 VanDerWaalsContact C-N 3.33Å; D591-L593 PolarHBondContact O-N 3.45Å
594R80.2Confident80.9Confident176 Ų17674.5 Ų74.566%0.66439%0.389SS*.Hα-helixtrans-69.5-40.8175.5-73.5163.6174.4163.1-3.6112.7S590 D591 L592S590-R594 WeakPolarHBondContact O-CD 3.49Å; S590-R594 VanDerWaalsContact O-CG 3.3Å; S590-R594 WeakPolarHBondContact O-CG 3.33Å; S590-R594 PolarHBondContact O-N 3.46Å; D591-R594 PolarHBondContact O-N 3.09Å; D591-R594 IonicContact OD1-CZ 3.7Å; D591-R594 IonicContact OD1-NH1 3.8Å; D591-R594 PolarHBondContact OD1-NH1 3.09Å; L592-R594 VanDerWaalsContact C-N 3.32Å; L592-R594 PolarHBondContact O-N 3.1Å
595N73Confident80.3Confident105 Ų10575.7 Ų75.756%0.56140%0.396SS*.Hα-helixtrans-84.5-9.2-168.6-68.7-24.1000114.6D591 L592 H597D591-N595 WeakPolarHBondContact O-CB 3.48Å; D591-N595 VanDerWaalsContact O-CG 3.23Å; D591-N595 PolarHBondContact O-N 3.47Å; D591-N595 PolarHBondContact O-ND2 3.19Å; L592-N595 PolarHBondContact O-N 2.94Å; N595-H597 PolarHBondContact O-CD2 3.07Å; N595-H597 VanDerWaalsContact O-CG 3.29Å; N595-H597 PolarHBondContact O-N 2.77Å
596Q64Low80Confident175 Ų17575.9 Ų75.982%0.81840%0.397SS*.  trans55.38.4179.8-57-170.82.300116.1L592L592-Q596 PolarHBondContact O-N 2.97Å
597H59Low79.7Confident172 Ų17276.2 Ų76.280%0.79640%0.4SS*.  trans-110.348.2-174.6-65.4-29.5000112.2N595N595-H597 PolarHBondContact O-CD2 3.07Å; N595-H597 VanDerWaalsContact O-CG 3.29Å; N595-H597 PolarHBondContact O-N 2.77Å
598G61.8Low79.2Confident33 Ų3375.6 Ų75.634%0.3440%0.395SS..  trans-99122.317500000112.4V600G598-V600 PolarHBondContact O-N 3Å
599N75.8Confident79.2Confident83 Ų8375.4 Ų75.444%0.44439%0.394SS..  trans-65.7124.9163.5177.1-29.7000108.3K601 C602 C603 L689N599-K601 PolarHBondContact O-N 3.26Å; N599-K601 VanDerWaalsContact O-N 3.12Å; N599-K601 PolarHBondContact OD1-N 3.48Å; N599-C602 HydrophobicContact CB-CB 3.97Å; N599-C602 WeakPolarHBondContact O-CA 3.29Å; N599-C602 VanDerWaalsContact O-CB 3.26Å; N599-C602 WeakPolarHBondContact O-CB 3.47Å; N599-C602 PolarHBondContact O-N 3.06Å; N599-C603 PolarHBondContact O-N 2.86Å; N599-C603 PolarHBondContact O-SG 3.31Å; N599-L689 HydrophobicContact CB-CD1 4.23Å
600V78.1Confident79.4Confident114 Ų11475 Ų7569%0.69139%0.388SS*.Hα-helixtrans-51.1-40.6-176.1-179.10000112.4G598 C603 V604G598-V600 PolarHBondContact O-N 3Å; V600-C603 PolarHBondContact O-N 3.31Å; V600-V604 WeakPolarHBondContact O-CG2 3.31Å; V600-V604 PolarHBondContact O-N 2.95Å
601K79.7Confident79.5Confident103 Ų10375.6 Ų75.645%0.44838%0.384SS..Hα-helixtrans-63.6-44.9176.3-178.2-176.6175.1-74.10111.6N599 C603 V604 D605N599-K601 PolarHBondContact O-N 3.26Å; N599-K601 VanDerWaalsContact O-N 3.12Å; N599-K601 PolarHBondContact OD1-N 3.48Å; K601-C603 VanDerWaalsContact C-N 3.33Å; K601-C603 PolarHBondContact O-N 3.4Å; K601-V604 PolarHBondContact O-N 2.85Å; K601-D605 WeakPolarHBondContact CG-OD2 3.39Å; K601-D605 IonicContact NZ-OD2 3.02Å; K601-D605 PolarHBondContact NZ-OD2 2.99Å; K601-D605 WeakPolarHBondContact O-CB 3.31Å; K601-D605 VanDerWaalsContact O-CG 3.25Å; K601-D605 PolarHBondContact O-N 3.47Å
602C80.8Confident79.6Confident11 Ų1173 Ų737%0.07437%0.37CS..Hα-helixtrans-60.5-42.6176.8-178.20000111.4N599 V604 D605 F606 L689N599-C602 HydrophobicContact CB-CB 3.97Å; N599-C602 WeakPolarHBondContact O-CA 3.29Å; N599-C602 VanDerWaalsContact O-CB 3.26Å; N599-C602 WeakPolarHBondContact O-CB 3.47Å; N599-C602 PolarHBondContact O-N 3.06Å; C602-V604 VanDerWaalsContact C-N 3.35Å; C602-V604 PolarHBondContact O-N 2.93Å; C602-D605 PolarHBondContact O-N 2.96Å; C602-F606 WeakPolarHBondContact O-CB 3.46Å; C602-F606 PolarHBondContact O-N 2.58Å; C602-L689 HydrophobicContact CB-CD2 3.91Å
603C82Confident80.1Confident48 Ų4871.3 Ų71.332%0.32436%0.361SS..Hα-helixtrans-62.6-38.9175.8-61.20000112.6N599 V600 K601 H607N599-C603 PolarHBondContact O-N 2.86Å; N599-C603 PolarHBondContact O-SG 3.31Å; V600-C603 PolarHBondContact O-N 3.31Å; K601-C603 VanDerWaalsContact C-N 3.33Å; K601-C603 PolarHBondContact O-N 3.4Å; C603-H607 WeakPolarHBondContact O-CB 3.5Å; C603-H607 PolarHBondContact O-N 2.94Å
604V82.3Confident80.7Confident72 Ų7268 Ų6844%0.43634%0.344SS..Hα-helixtrans-70.4-50.9175.5171.40000111.3V600 K601 C602 F606 H607 N608V600-V604 WeakPolarHBondContact O-CG2 3.31Å; V600-V604 PolarHBondContact O-N 2.95Å; K601-V604 PolarHBondContact O-N 2.85Å; C602-V604 VanDerWaalsContact C-N 3.35Å; C602-V604 PolarHBondContact O-N 2.93Å; V604-F606 PolarHBondContact O-N 3.41Å; V604-H607 PolarHBondContact O-N 3.41Å; V604-N608 VanDerWaalsContact O-CB 3.27Å; V604-N608 WeakPolarHBondContact O-CB 3.42Å; V604-N608 PolarHBondContact O-N 2.73Å; V604-N608 PolarHBondContact O-ND2 2.65Å
605D83.1Confident81.2Confident29 Ų2961 Ų6116%0.15532%0.32CS..Hα-helixtrans-56.4-35.8178.2-72.2-16.2000111.4K601 C602 V609 S696K601-D605 WeakPolarHBondContact CG-OD2 3.39Å; K601-D605 IonicContact NZ-OD2 3.02Å; K601-D605 PolarHBondContact NZ-OD2 2.99Å; K601-D605 WeakPolarHBondContact O-CB 3.31Å; K601-D605 VanDerWaalsContact O-CG 3.25Å; K601-D605 PolarHBondContact O-N 3.47Å; C602-D605 PolarHBondContact O-N 2.96Å; D605-V609 WeakPolarHBondContact O-CG2 3.46Å; D605-S696 WeakPolarHBondContact O-CB 3.32Å; D605-S696 PolarHBondContact O-OG 2.81Å
606F87.4Confident82.1Confident4 Ų456 Ų562%0.01829%0.293CS..Hα-helixtrans-78.8-46.1176.3178.8-129.6000113.9A585 T588 C589 L592 C602 V604 N608 V609 H610 I684A585-F606 HydrophobicContact CB-CE2 4.14Å; A585-F606 HydrophobicContact CB-CZ 4.01Å; A585-F606 WeakPolarHBondContact O-CZ 3.46Å; T588-F606 HydrophobicContact CG2-CE1 4.2Å; T588-F606 HydrophobicContact CG2-CZ 3.98Å; C589-F606 HydrophobicContact CB-CE1 3.93Å; L592-F606 HydrophobicContact CD1-CD1 3.95Å; L592-F606 HydrophobicContact CD1-CE1 4.21Å; C602-F606 WeakPolarHBondContact O-CB 3.46Å; C602-F606 PolarHBondContact O-N 2.58Å; V604-F606 PolarHBondContact O-N 3.41Å; F606-N608 PolarHBondContact O-N 3.49Å; F606-V609 PolarHBondContact O-N 2.88Å; F606-H610 PolarHBondContact O-N 3.31Å; F606-I684 HydrophobicContact CB-CD1 3.61Å; F606-I684 HydrophobicContact CD1-CD1 3.71Å; F606-I684 HydrophobicContact CD2-CD1 3.25Å; F606-I684 HydrophobicContact CE1-CD1 4.14Å; F606-I684 HydrophobicContact CE2-CD1 3.75Å; F606-I684 HydrophobicContact CG-CD1 3.22Å; F606-I684 HydrophobicContact CZ-CD1 4.16Å
607H85.9Confident83.4Confident109 Ų10948.3 Ų48.351%0.50526%0.257SS..Hα-helixtrans-55.6-40.7176.8174.676.6000111.2C603 V604 V609 H610 K611C603-H607 WeakPolarHBondContact O-CB 3.5Å; C603-H607 PolarHBondContact O-N 2.94Å; V604-H607 PolarHBondContact O-N 3.41Å; H607-V609 PolarHBondContact O-N 2.94Å; H607-H610 PolarHBondContact O-N 2.94Å; H607-K611 WeakPolarHBondContact O-CB 3.45Å; H607-K611 PolarHBondContact O-N 2.93Å
608N82.3Confident84.9Confident27 Ų2741.3 Ų41.314%0.14423%0.228CC..Hα-helixtrans-55.7-46.2172.9-80.3-10.3000113V604 F606 F612 F734V604-N608 VanDerWaalsContact O-CB 3.27Å; V604-N608 WeakPolarHBondContact O-CB 3.42Å; V604-N608 PolarHBondContact O-N 2.73Å; V604-N608 PolarHBondContact O-ND2 2.65Å; F606-N608 PolarHBondContact O-N 3.49Å; N608-F612 WeakPolarHBondContact O-CD2 3.48Å; N608-F612 PolarHBondContact O-N 3.01Å; N608-F734 HydrophobicContact CB-CD1 4.03Å; N608-F734 HydrophobicContact CB-CE1 3.47Å; N608-F734 VanDerWaalsContact CB-CE1 3.47Å; N608-F734 HydrophobicContact CB-CZ 4.4Å
609V89.3Confident86.4Confident2 Ų239.8 Ų39.81%0.01221%0.212CC..Hα-helixtrans-70.2-46.5178.6173.10000111.4D605 F606 H607 K611 F612 A613 T677 C680 T699D605-V609 WeakPolarHBondContact O-CG2 3.46Å; F606-V609 PolarHBondContact O-N 2.88Å; H607-V609 PolarHBondContact O-N 2.94Å; V609-K611 VanDerWaalsContact C-N 3.33Å; V609-K611 PolarHBondContact O-N 3.04Å; V609-F612 PolarHBondContact O-N 2.69Å; V609-A613 PolarHBondContact O-N 2.94Å; V609-T677 HydrophobicContact CG1-CG2 4.17Å; V609-T677 WeakPolarHBondContact CG1-OG1 3.35Å; V609-C680 HydrophobicContact CG1-CB 4.23Å; V609-T699 HydrophobicContact CB-CG2 4.5Å; V609-T699 HydrophobicContact CG1-CG2 4.25Å; V609-T699 HydrophobicContact CG2-CG2 4.18Å
610H91Very high87.1Confident31 Ų3135.9 Ų35.914%0.14419%0.191CC..Hα-helixtrans-58.8-42.8177.5177.1-148.7000111.9A585 F606 H607 A613 D614A585-H610 HydrophobicContact CB-CB 4Å; A585-H610 WeakPolarHBondContact CB-CD2 3.37Å; F606-H610 PolarHBondContact O-N 3.31Å; H607-H610 PolarHBondContact O-N 2.94Å; H610-A613 PolarHBondContact O-N 3.21Å; H610-D614 PolarHBondContact O-N 2.93Å
611K88.2Confident87.7Confident64 Ų6432 Ų3228%0.27817%0.171SC..Hα-helixtrans-60.5-47.5177.9-167.4-165.4176.4-67.70111.4H607 V609 A613 D614 D615H607-K611 WeakPolarHBondContact O-CB 3.45Å; H607-K611 PolarHBondContact O-N 2.93Å; V609-K611 VanDerWaalsContact C-N 3.33Å; V609-K611 PolarHBondContact O-N 3.04Å; K611-A613 VanDerWaalsContact C-N 3.32Å; K611-A613 PolarHBondContact O-N 3.45Å; K611-D614 PolarHBondContact O-N 3.34Å; K611-D615 IonicContact NZ-OD1 3.71Å; K611-D615 PolarHBondContact NZ-OD1 3.41Å; K611-D615 IonicContact NZ-OD2 3.61Å; K611-D615 PolarHBondContact NZ-OD2 3.19Å; K611-D615 WeakPolarHBondContact O-CB 3.49Å; K611-D615 PolarHBondContact O-N 2.91Å
612F87.7Confident88.1Confident2 Ų231.2 Ų31.21%0.00917%0.169CC..Hα-helixtrans-58.4-43.2177.2-82.5-50.5000112.4N608 V609 D614 L616 I673 T699 I700 A703 L729 I731 F734N608-F612 WeakPolarHBondContact O-CD2 3.48Å; N608-F612 PolarHBondContact O-N 3.01Å; V609-F612 PolarHBondContact O-N 2.69Å; F612-D614 PolarHBondContact O-N 3.33Å; F612-L616 WeakPolarHBondContact O-CB 3.42Å; F612-L616 VanDerWaalsContact O-CG 3.29Å; F612-L616 WeakPolarHBondContact O-CG 3.35Å; F612-L616 PolarHBondContact O-N 3.11Å; F612-I673 HydrophobicContact CB-CG2 4.41Å; F612-T699 HydrophobicContact CB-CG2 4.39Å; F612-T699 HydrophobicContact CD2-CG2 3.93Å; F612-I700 HydrophobicContact CE2-CG1 4.38Å; F612-A703 HydrophobicContact CD1-CB 4.44Å; F612-A703 HydrophobicContact CD2-CB 4.41Å; F612-A703 HydrophobicContact CE1-CB 3.98Å; F612-A703 HydrophobicContact CE2-CB 3.9Å; F612-A703 HydrophobicContact CZ-CB 3.68Å; F612-L729 HydrophobicContact CD1-CD2 3.85Å; F612-L729 HydrophobicContact CE1-CD2 4.09Å; F612-I731 HydrophobicContact CE1-CG1 4.05Å; F612-I731 HydrophobicContact CZ-CG1 4.01Å; F612-F734 HydrophobicContact CD1-CZ 4.39Å; F612-F734 HydrophobicContact CD2-CD1 4.36Å; F612-F734 AromaticContact CD2-CE1 3.61Å; F612-F734 HydrophobicContact CD2-CE1 3.61Å; F612-F734 AromaticContact CD2-CZ 3.83Å; F612-F734 HydrophobicContact CD2-CZ 3.83Å; F612-F734 HydrophobicContact CE1-CE2 4.01Å; F612-F734 AromaticContact CE1-CZ 3.98Å; F612-F734 HydrophobicContact CE1-CZ 3.98Å; F612-F734 AromaticContact CE2-CD1 3.45Å; F612-F734 HydrophobicContact CE2-CD1 3.45Å; F612-F734 VanDerWaalsContact CE2-CD1 3.45Å; F612-F734 HydrophobicContact CE2-CD2 4.21Å; F612-F734 AromaticContact CE2-CE1 3.09Å; F612-F734 HydrophobicContact CE2-CE1 3.09Å; F612-F734 AromaticContact CE2-CE2 3.95Å; F612-F734 HydrophobicContact CE2-CE2 3.95Å; F612-F734 AromaticContact CE2-CG 3.99Å; F612-F734 HydrophobicContact CE2-CG 3.99Å; F612-F734 AromaticContact CE2-CZ 3.39Å; F612-F734 HydrophobicContact CE2-CZ 3.39Å; F612-F734 HydrophobicContact CG-CZ 4.32Å; F612-F734 AromaticContact CZ-CD1 3.87Å; F612-F734 HydrophobicContact CZ-CD1 3.87Å; F612-F734 AromaticContact CZ-CD2 3.75Å; F612-F734 HydrophobicContact CZ-CD2 3.75Å; F612-F734 AromaticContact CZ-CE1 3.61Å; F612-F734 HydrophobicContact CZ-CE1 3.61Å; F612-F734 AromaticContact CZ-CE2 3.54Å; F612-F734 HydrophobicContact CZ-CE2 3.54Å; F612-F734 AromaticContact CZ-CG 3.92Å; F612-F734 HydrophobicContact CZ-CG 3.92Å; F612-F734 AromaticContact CZ-CZ 3.46Å; F612-F734 HydrophobicContact CZ-CZ 3.46Å; F612-F734 VanDerWaalsContact CZ-CZ 3.46Å
613A92.1Very high88.6Confident0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-63.9-40.3177.400000112.6V582 V609 H610 K611 N617 F674 T677V582-A613 HydrophobicContact CG2-CB 3.91Å; V582-A613 WeakPolarHBondContact CG2-O 3.41Å; V609-A613 PolarHBondContact O-N 2.94Å; H610-A613 PolarHBondContact O-N 3.21Å; K611-A613 VanDerWaalsContact C-N 3.32Å; K611-A613 PolarHBondContact O-N 3.45Å; A613-N617 VanDerWaalsContact O-CB 3.29Å; A613-N617 WeakPolarHBondContact O-CB 3.31Å; A613-N617 PolarHBondContact O-N 2.86Å; A613-F674 HydrophobicContact CB-CD1 4.22Å; A613-F674 HydrophobicContact CB-CE1 4.42Å; A613-T677 HydrophobicContact CB-CG2 3.92Å
614D91.8Very high89Confident67 Ų6728.9 Ų28.936%0.35815%0.152SC..Hα-helixtrans-72.5-37.7179-166.940.2000112.7V582 H610 K611 F612 S618V582-D614 HydrophobicContact CG1-CB 4.13Å; V582-D614 WeakPolarHBondContact CG1-OD1 3.36Å; V582-D614 HydrophobicContact CG2-CB 4.47Å; H610-D614 PolarHBondContact O-N 2.93Å; K611-D614 PolarHBondContact O-N 3.34Å; F612-D614 PolarHBondContact O-N 3.33Å; D614-S618 WeakPolarHBondContact O-CB 3.32Å; D614-S618 PolarHBondContact O-N 3.3Å; D614-S618 PolarHBondContact O-OG 2.93Å
615D90.1Very high89.3Confident31 Ų3128.9 Ų28.917%0.16615%0.152CC..Hα-helixtrans-59.9-46.3171.9-67.1-38.5000110.8K611 F619K611-D615 IonicContact NZ-OD1 3.71Å; K611-D615 PolarHBondContact NZ-OD1 3.41Å; K611-D615 IonicContact NZ-OD2 3.61Å; K611-D615 PolarHBondContact NZ-OD2 3.19Å; K611-D615 WeakPolarHBondContact O-CB 3.49Å; K611-D615 PolarHBondContact O-N 2.91Å; D615-F619 WeakPolarHBondContact O-CB 3.35Å; D615-F619 PolarHBondContact O-N 2.91Å
616L92.5Very high89.6Confident0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-66.1-48.2177.8-71.3-176.3000112.3F612 S618 F619 I620 F670 I673 F674 L706 L725 L729F612-L616 WeakPolarHBondContact O-CB 3.42Å; F612-L616 VanDerWaalsContact O-CG 3.29Å; F612-L616 WeakPolarHBondContact O-CG 3.35Å; F612-L616 PolarHBondContact O-N 3.11Å; L616-S618 VanDerWaalsContact C-N 3.27Å; L616-S618 PolarHBondContact O-N 2.88Å; L616-F619 PolarHBondContact O-N 3.46Å; L616-I620 VanDerWaalsContact O-CG1 3.31Å; L616-I620 WeakPolarHBondContact O-CG1 3.49Å; L616-I620 PolarHBondContact O-N 2.85Å; L616-F670 HydrophobicContact CD1-CD1 4.09Å; L616-F670 HydrophobicContact CD2-CD1 4.07Å; L616-F670 HydrophobicContact CD2-CE1 3.77Å; L616-F670 HydrophobicContact CD2-CZ 4.35Å; L616-I673 HydrophobicContact CD1-CB 4.12Å; L616-I673 HydrophobicContact CD1-CD1 3.88Å; L616-I673 HydrophobicContact CD1-CG2 3.77Å; L616-F674 HydrophobicContact CB-CE1 4.04Å; L616-F674 HydrophobicContact CB-CZ 3.99Å; L616-F674 HydrophobicContact CD1-CE1 4.43Å; L616-F674 HydrophobicContact CD1-CZ 4.46Å; L616-L706 HydrophobicContact CD2-CD2 3.95Å; L616-L725 HydrophobicContact CD2-CD1 3.83Å; L616-L729 HydrophobicContact CD2-CD2 4.23Å
617N91.9Very high89.7Confident12 Ų1231 Ų316%0.06416%0.163CC..Hα-helixtrans-63.2-36.1178.8-17152.9000111.4A578 N579 V582 A613 A621A578-N617 HydrophobicContact CB-CB 4.49Å; A578-N617 WeakPolarHBondContact CB-OD1 3.43Å; N579-N617 PolarHBondContact ND2-OD1 3.09Å; N579-N617 PolarHBondContact OD1-ND2 2.99Å; V582-N617 HydrophobicContact CG2-CB 3.79Å; A613-N617 VanDerWaalsContact O-CB 3.29Å; A613-N617 WeakPolarHBondContact O-CB 3.31Å; A613-N617 PolarHBondContact O-N 2.86Å; N617-A621 WeakPolarHBondContact O-CB 3.48Å; N617-A621 PolarHBondContact O-N 3.08Å
618S90.3Very high89.9Confident26 Ų2625.8 Ų25.818%0.18214%0.139CC..Hα-helixtrans-69.2-41.8175.1-66.20000112.8D614 L616 A621 E622D614-S618 WeakPolarHBondContact O-CB 3.32Å; D614-S618 PolarHBondContact O-N 3.3Å; D614-S618 PolarHBondContact O-OG 2.93Å; L616-S618 VanDerWaalsContact C-N 3.27Å; L616-S618 PolarHBondContact O-N 2.88Å; S618-A621 PolarHBondContact O-N 3.42Å; S618-E622 WeakPolarHBondContact O-CG 3.48Å; S618-E622 PolarHBondContact O-N 3Å
619F91.6Very high90.2Very high0 Ų026.8 Ų26.80%015%0.152CC..Hα-helixtrans-56.6-50.6171.7167.3-102.1000111.7D615 L616 A621 E622 E623 L660 F670 L725D615-F619 WeakPolarHBondContact O-CB 3.35Å; D615-F619 PolarHBondContact O-N 2.91Å; L616-F619 PolarHBondContact O-N 3.46Å; F619-A621 VanDerWaalsContact C-N 3.34Å; F619-A621 PolarHBondContact O-N 2.97Å; F619-E622 PolarHBondContact O-N 3.33Å; F619-E623 HydrophobicContact CD2-CG 4.15Å; F619-E623 HydrophobicContact CE1-CG 4.4Å; F619-E623 HydrophobicContact CE2-CG 3.68Å; F619-E623 HydrophobicContact CZ-CG 3.83Å; F619-E623 PolarHBondContact O-N 3.43Å; F619-L660 HydrophobicContact CE1-CD1 4.23Å; F619-L660 HydrophobicContact CE1-CG 4.39Å; F619-L660 HydrophobicContact CZ-CD1 4.26Å; F619-L660 HydrophobicContact CZ-CG 4.43Å; F619-F670 HydrophobicContact CD1-CZ 4.45Å; F619-F670 HydrophobicContact CE1-CZ 4.33Å; F619-L725 HydrophobicContact CB-CD1 4.2Å; F619-L725 HydrophobicContact CD1-CD1 4Å; F619-L725 HydrophobicContact CD1-CD2 4.23Å; F619-L725 HydrophobicContact CD2-CB 4.12Å; F619-L725 HydrophobicContact CD2-CD1 4.27Å; F619-L725 HydrophobicContact CE1-CB 4.39Å; F619-L725 HydrophobicContact CE1-CD1 4.49Å; F619-L725 HydrophobicContact CE1-CD2 3.99Å; F619-L725 HydrophobicContact CE2-CB 3.86Å; F619-L725 HydrophobicContact CG-CB 4.49Å; F619-L725 HydrophobicContact CG-CD1 3.89Å; F619-L725 HydrophobicContact CZ-CB 4.01Å; F619-L725 HydrophobicContact CZ-CD2 4.33Å
620I92Very high90.3Very high1 Ų132.2 Ų32.21%0.00518%0.175CC..Hα-helixtrans-59.8-44.2179-65.3164.5000110.9L575 L616 E622 E623 I624 C659 F661 F670 F674L575-I620 HydrophobicContact CD2-CG2 3.42Å; L575-I620 VanDerWaalsContact CD2-CG2 3.42Å; L616-I620 VanDerWaalsContact O-CG1 3.31Å; L616-I620 WeakPolarHBondContact O-CG1 3.49Å; L616-I620 PolarHBondContact O-N 2.85Å; I620-E622 PolarHBondContact O-N 3.43Å; I620-E623 PolarHBondContact O-N 2.89Å; I620-I624 HydrophobicContact CG2-CD1 4.07Å; I620-I624 WeakPolarHBondContact O-CB 3.42Å; I620-I624 WeakPolarHBondContact O-CG1 3.37Å; I620-I624 PolarHBondContact O-N 3.1Å; I620-C659 HydrophobicContact CG2-CB 4.45Å; I620-F661 HydrophobicContact CD1-CE1 4.09Å; I620-F661 HydrophobicContact CD1-CZ 4.31Å; I620-F661 HydrophobicContact CG1-CE1 4.31Å; I620-F661 HydrophobicContact CG1-CZ 4.44Å; I620-F661 HydrophobicContact CG2-CE1 4.5Å; I620-F661 HydrophobicContact CG2-CZ 3.82Å; I620-F670 HydrophobicContact CD1-CD2 3.91Å; I620-F670 HydrophobicContact CD1-CE2 3.97Å; I620-F670 HydrophobicContact CG1-CE2 4.1Å; I620-F674 HydrophobicContact CD1-CE2 4.44Å; I620-F674 HydrophobicContact CD1-CZ 4.16Å
621A89.3Confident90.3Very high32 Ų3231 Ų3126%0.26417%0.169SC..Hα-helixtrans-65.7-36.3179.300000113.1N617 S618 F619 T625N617-A621 WeakPolarHBondContact O-CB 3.48Å; N617-A621 PolarHBondContact O-N 3.08Å; S618-A621 PolarHBondContact O-N 3.42Å; F619-A621 VanDerWaalsContact C-N 3.34Å; F619-A621 PolarHBondContact O-N 2.97Å; A621-T625 WeakPolarHBondContact O-CB 3.44Å; A621-T625 PolarHBondContact O-N 3.48Å; A621-T625 PolarHBondContact O-OG1 2.84Å
622E88.9Confident90.3Very high87 Ų8729.6 Ų29.641%0.40717%0.17SC..Hα-helixtrans-69.9-44.2174.6-77.8175.4-120.400111.9S618 F619 I620 I624 T625 I626 R728S618-E622 WeakPolarHBondContact O-CG 3.48Å; S618-E622 PolarHBondContact O-N 3Å; F619-E622 PolarHBondContact O-N 3.33Å; I620-E622 PolarHBondContact O-N 3.43Å; E622-I624 PolarHBondContact O-N 3.1Å; E622-T625 CarbonylContact O-C 3.56Å; E622-T625 WeakPolarHBondContact O-CA 3.26Å; E622-T625 WeakPolarHBondContact O-CB 3.41Å; E622-T625 PolarHBondContact O-N 3.47Å; E622-I626 WeakPolarHBondContact O-CG1 3.43Å; E622-I626 PolarHBondContact O-N 3.32Å; E622-R728 VanDerWaalsContact CD-NH1 3.28Å; E622-R728 IonicContact OE1-CZ 3.14Å; E622-R728 IonicContact OE1-NH1 3.99Å; E622-R728 PolarHBondContact OE1-NH1 3.36Å; E622-R728 IonicContact OE1-NH2 3.5Å; E622-R728 IonicContact OE2-CZ 2.73Å; E622-R728 IonicContact OE2-NH1 2.69Å; E622-R728 PolarHBondContact OE2-NH1 3.47Å; E622-R728 IonicContact OE2-NH2 3.27Å; E622-R728 PolarHBondContact OE2-NH2 2.58Å
623E91Very high90.5Very high7 Ų734.9 Ų34.93%0.03320%0.195CC..Hα-helixtrans-64.9-37.4177.8-75.9-56.6144.100112.9F619 I620 T625 I626 A627 R658 N721F619-E623 HydrophobicContact CD2-CG 4.15Å; F619-E623 HydrophobicContact CE1-CG 4.4Å; F619-E623 HydrophobicContact CE2-CG 3.68Å; F619-E623 HydrophobicContact CZ-CG 3.83Å; F619-E623 PolarHBondContact O-N 3.43Å; I620-E623 PolarHBondContact O-N 2.89Å; E623-T625 VanDerWaalsContact C-N 3.32Å; E623-I626 PolarHBondContact O-N 2.88Å; E623-A627 WeakPolarHBondContact O-CB 3.16Å; E623-A627 PolarHBondContact O-N 2.94Å; E623-R658 HydrophobicContact CB-CB 4.14Å; E623-R658 IonicContact OE1-NH1 2.64Å; E623-R658 WeakPolarHBondContact OE2-CB 3.5Å; E623-R658 WeakPolarHBondContact OE2-CD 3.01Å; E623-R658 IonicContact OE2-CZ 2.69Å; E623-R658 IonicContact OE2-NE 3.06Å; E623-R658 IonicContact OE2-NH1 3.31Å; E623-R658 PolarHBondContact OE2-NH1 3.28Å; E623-N721 PolarHBondContact OE2-ND2 3.46Å
624I91Very high90.4Very high4 Ų437.6 Ų37.62%0.02121%0.209CC..Hα-helixtrans-60.9-42.3167.7-75.7175.4000111L473 L575 I620 E622 I626 A627 C628 I655L473-I624 HydrophobicContact CB-CG2 3.95Å; L473-I624 HydrophobicContact CD1-CG2 4.41Å; L575-I624 HydrophobicContact CD1-CD1 3.62Å; L575-I624 HydrophobicContact CD2-CD1 3.6Å; L575-I624 HydrophobicContact CG-CD1 4.17Å; I620-I624 HydrophobicContact CG2-CD1 4.07Å; I620-I624 WeakPolarHBondContact O-CB 3.42Å; I620-I624 WeakPolarHBondContact O-CG1 3.37Å; I620-I624 PolarHBondContact O-N 3.1Å; E622-I624 PolarHBondContact O-N 3.1Å; I624-I626 VanDerWaalsContact C-N 3.35Å; I624-I626 PolarHBondContact O-N 3.47Å; I624-A627 PolarHBondContact O-N 3.49Å; I624-C628 VanDerWaalsContact O-CB 3.31Å; I624-C628 WeakPolarHBondContact O-CB 3.33Å; I624-C628 PolarHBondContact O-N 3.5Å; I624-C628 PolarHBondContact O-SG 2.97Å; I624-I655 HydrophobicContact CG1-CG2 4.02Å
625T88.8Confident90.2Very high71 Ų7136 Ų3644%0.43620%0.201SC..Hα-helixtrans-64-41.1179.3-59.40000111.2A621 E622 E623 C628 A629A621-T625 WeakPolarHBondContact O-CB 3.44Å; A621-T625 PolarHBondContact O-N 3.48Å; A621-T625 PolarHBondContact O-OG1 2.84Å; E622-T625 CarbonylContact O-C 3.56Å; E622-T625 WeakPolarHBondContact O-CA 3.26Å; E622-T625 WeakPolarHBondContact O-CB 3.41Å; E622-T625 PolarHBondContact O-N 3.47Å; E623-T625 VanDerWaalsContact C-N 3.32Å; T625-C628 PolarHBondContact O-N 3.32Å; T625-A629 WeakPolarHBondContact O-CB 3.26Å; T625-A629 PolarHBondContact O-N 2.75Å
626I88.5Confident90.1Very high74 Ų7441.4 Ų41.438%0.37922%0.223SC..Hα-helixtrans-64.9-45.6175.1-65.9162.7000110.8E622 E623 I624 C628 A629 K630E622-I626 WeakPolarHBondContact O-CG1 3.43Å; E622-I626 PolarHBondContact O-N 3.32Å; E623-I626 PolarHBondContact O-N 2.88Å; I624-I626 VanDerWaalsContact C-N 3.35Å; I624-I626 PolarHBondContact O-N 3.47Å; I626-C628 PolarHBondContact O-N 3.11Å; I626-A629 PolarHBondContact O-N 3.08Å; I626-K630 PolarHBondContact O-N 2.83Å
627A90.3Very high89.7Confident3 Ų344.8 Ų44.83%0.02525%0.25CS..Hα-helixtrans-60.3-45.8175.800000111.9E623 I624 A629 K630 F631 F651 I655E623-A627 WeakPolarHBondContact O-CB 3.16Å; E623-A627 PolarHBondContact O-N 2.94Å; I624-A627 PolarHBondContact O-N 3.49Å; A627-A629 VanDerWaalsContact C-N 3.29Å; A627-A629 PolarHBondContact O-N 3.42Å; A627-K630 PolarHBondContact O-N 3.35Å; A627-F631 WeakPolarHBondContact O-CB 3.48Å; A627-F631 PolarHBondContact O-N 2.92Å; A627-F651 HydrophobicContact CB-CD2 4.44Å; A627-F651 HydrophobicContact CB-CE2 4.21Å; A627-I655 HydrophobicContact CB-CG1 3.66Å
628C89.3Confident89.3Confident0 Ų044.6 Ų44.60%025%0.25CC..Hα-helixtrans-64.9-30.7177-690000113.2R475 I624 T625 I626 A632R475-C628 HydrophobicContact CG-CB 4.47Å; R475-C628 PolarHBondContact NH2-O 3.05Å; I624-C628 VanDerWaalsContact O-CB 3.31Å; I624-C628 WeakPolarHBondContact O-CB 3.33Å; I624-C628 PolarHBondContact O-N 3.5Å; I624-C628 PolarHBondContact O-SG 2.97Å; T625-C628 PolarHBondContact O-N 3.32Å; I626-C628 PolarHBondContact O-N 3.11Å; C628-A632 WeakPolarHBondContact O-CB 3.17Å; C628-A632 PolarHBondContact O-N 3.13Å
629A88.5Confident88.6Confident49 Ų4950.2 Ų50.241%0.40527%0.273SS..Hα-helixtrans-73.1-46.9174.300000110.9T625 I626 A627 F631 A632 E633T625-A629 WeakPolarHBondContact O-CB 3.26Å; T625-A629 PolarHBondContact O-N 2.75Å; I626-A629 PolarHBondContact O-N 3.08Å; A627-A629 VanDerWaalsContact C-N 3.29Å; A627-A629 PolarHBondContact O-N 3.42Å; A629-F631 PolarHBondContact O-N 3.13Å; A629-A632 PolarHBondContact O-N 3.26Å; A629-E633 PolarHBondContact O-N 3.39Å
630K90.8Very high88Confident115 Ų11551 Ų5150%0.528%0.279SS..Hα-helixtrans-59.5-47.8176-164.9-159.5175.6-110.20111.4I626 A627 A632 E633 D634I626-K630 PolarHBondContact O-N 2.83Å; A627-K630 PolarHBondContact O-N 3.35Å; K630-A632 VanDerWaalsContact C-N 3.26Å; K630-A632 PolarHBondContact O-N 3.13Å; K630-E633 CarbonylContact O-C 3.57Å; K630-E633 WeakPolarHBondContact O-CA 3.49Å; K630-E633 WeakPolarHBondContact O-CB 3.41Å; K630-E633 PolarHBondContact O-N 3.38Å; K630-D634 WeakPolarHBondContact CE-OD2 3.26Å; K630-D634 IonicContact NZ-OD1 3.53Å; K630-D634 PolarHBondContact NZ-OD1 2.95Å; K630-D634 IonicContact NZ-OD2 2.78Å; K630-D634 PolarHBondContact NZ-OD2 3.01Å; K630-D634 PolarHBondContact O-N 2.7Å
631F91.5Very high87.4Confident5 Ų551.1 Ų51.12%0.02228%0.279CS..Hα-helixtrans-58.4-36.7177.8-179.3-134000112.9L465 A627 A629 E633 D634 I635 T647 H648 F651L465-F631 HydrophobicContact CD1-CZ 4.21Å; A627-F631 WeakPolarHBondContact O-CB 3.48Å; A627-F631 PolarHBondContact O-N 2.92Å; A629-F631 PolarHBondContact O-N 3.13Å; F631-E633 VanDerWaalsContact C-N 3.28Å; F631-E633 PolarHBondContact O-N 2.86Å; F631-D634 PolarHBondContact O-N 3.3Å; F631-I635 HydrophobicContact CD1-CD1 3.99Å; F631-I635 HydrophobicContact CD2-CD1 3.99Å; F631-I635 HydrophobicContact CD2-CG1 4.04Å; F631-I635 HydrophobicContact CE1-CD1 3.76Å; F631-I635 HydrophobicContact CE2-CD1 3.75Å; F631-I635 HydrophobicContact CE2-CG1 3.85Å; F631-I635 HydrophobicContact CG-CD1 4.11Å; F631-I635 HydrophobicContact CZ-CD1 3.65Å; F631-I635 HydrophobicContact CZ-CG1 4.22Å; F631-I635 VanDerWaalsContact O-CB 3.31Å; F631-I635 WeakPolarHBondContact O-CB 3.35Å; F631-I635 WeakPolarHBondContact O-CD1 3.25Å; F631-I635 VanDerWaalsContact O-CG1 3.22Å; F631-I635 WeakPolarHBondContact O-CG1 3.42Å; F631-I635 PolarHBondContact O-N 3.08Å; F631-T647 HydrophobicContact CD2-CG2 4.03Å; F631-T647 HydrophobicContact CE2-CG2 4.05Å; F631-H648 HydrophobicContact CE2-CB 4.41Å; F631-H648 HydrophobicContact CZ-CB 4.24Å; F631-H648 AromaticContact CZ-CD2 3.79Å; F631-F651 HydrophobicContact CB-CB 4.17Å; F631-F651 HydrophobicContact CB-CD2 3.42Å; F631-F651 VanDerWaalsContact CB-CD2 3.42Å; F631-F651 HydrophobicContact CB-CE2 3.81Å; F631-F651 HydrophobicContact CB-CG 3.8Å; F631-F651 HydrophobicContact CB-CZ 4.49Å; F631-F651 HydrophobicContact CD1-CB 4.31Å; F631-F651 AromaticContact CD1-CD1 3.46Å; F631-F651 HydrophobicContact CD1-CD1 3.46Å; F631-F651 VanDerWaalsContact CD1-CD1 3.46Å; F631-F651 AromaticContact CD1-CD2 3.85Å; F631-F651 HydrophobicContact CD1-CD2 3.85Å; F631-F651 AromaticContact CD1-CE1 3.5Å; F631-F651 HydrophobicContact CD1-CE1 3.5Å; F631-F651 AromaticContact CD1-CE2 3.89Å; F631-F651 HydrophobicContact CD1-CE2 3.89Å; F631-F651 AromaticContact CD1-CG 3.61Å; F631-F651 HydrophobicContact CD1-CG 3.61Å; F631-F651 AromaticContact CD1-CZ 3.7Å; F631-F651 HydrophobicContact CD1-CZ 3.7Å; F631-F651 HydrophobicContact CD2-CB 3.52Å; F631-F651 HydrophobicContact CD2-CD1 4.16Å; F631-F651 HydrophobicContact CD2-CD2 4.3Å; F631-F651 AromaticContact CD2-CG 3.75Å; F631-F651 HydrophobicContact CD2-CG 3.75Å; F631-F651 AromaticContact CE1-CD1 3.46Å; F631-F651 HydrophobicContact CE1-CD1 3.46Å; F631-F651 VanDerWaalsContact CE1-CD1 3.46Å; F631-F651 AromaticContact CE1-CE1 3.58Å; F631-F651 HydrophobicContact CE1-CE1 3.58Å; F631-F651 HydrophobicContact CE1-CG 4.01Å; F631-F651 HydrophobicContact CE1-CZ 4.23Å; F631-F651 HydrophobicContact CE2-CB 3.85Å; F631-F651 HydrophobicContact CE2-CD1 4.16Å; F631-F651 HydrophobicContact CE2-CG 4.15Å; F631-F651 HydrophobicContact CG-CB 3.77Å; F631-F651 AromaticContact CG-CD1 3.82Å; F631-F651 HydrophobicContact CG-CD1 3.82Å; F631-F651 AromaticContact CG-CD2 3.63Å; F631-F651 HydrophobicContact CG-CD2 3.63Å; F631-F651 HydrophobicContact CG-CE1 4.24Å; F631-F651 HydrophobicContact CG-CE2 4.07Å; F631-F651 AromaticContact CG-CG 3.46Å; F631-F651 HydrophobicContact CG-CG 3.46Å; F631-F651 VanDerWaalsContact CG-CG 3.46Å; F631-F651 HydrophobicContact CG-CZ 4.34Å; F631-F651 HydrophobicContact CZ-CB 4.37Å; F631-F651 AromaticContact CZ-CD1 3.81Å; F631-F651 HydrophobicContact CZ-CD1 3.81Å; F631-F651 HydrophobicContact CZ-CE1 4.37Å; F631-F651 HydrophobicContact CZ-CG 4.26Å
632A88.9Confident86.8Confident36 Ų3650.3 Ų50.330%0.29827%0.271SS..Hα-helixtrans-70.1-21.1175.700000113.9C628 A629 K630 K636C628-A632 WeakPolarHBondContact O-CB 3.17Å; C628-A632 PolarHBondContact O-N 3.13Å; A629-A632 PolarHBondContact O-N 3.26Å; K630-A632 VanDerWaalsContact C-N 3.26Å; K630-A632 PolarHBondContact O-N 3.13Å; A632-K636 VanDerWaalsContact O-CE 3.25Å; A632-K636 WeakPolarHBondContact O-CE 3.49Å
633E90.7Very high86.6Confident112 Ų11252 Ų5252%0.52327%0.273SS..Hα-helixtrans-84.7-48.1168.1-62.1-55.6129.400111.3A629 K630 F631 I635 K636A629-E633 PolarHBondContact O-N 3.39Å; K630-E633 CarbonylContact O-C 3.57Å; K630-E633 WeakPolarHBondContact O-CA 3.49Å; K630-E633 WeakPolarHBondContact O-CB 3.41Å; K630-E633 PolarHBondContact O-N 3.38Å; F631-E633 VanDerWaalsContact C-N 3.28Å; F631-E633 PolarHBondContact O-N 2.86Å; E633-I635 VanDerWaalsContact C-N 3.26Å; E633-I635 PolarHBondContact O-N 3.04Å; E633-K636 VanDerWaalsContact O-CB 3.28Å; E633-K636 WeakPolarHBondContact O-CB 3.45Å; E633-K636 PolarHBondContact O-N 2.93Å; E633-K636 WeakPolarHBondContact OE1-CE 3.19Å; E633-K636 IonicContact OE1-NZ 2.73Å; E633-K636 PolarHBondContact OE1-NZ 2.74Å; E633-K636 WeakPolarHBondContact OE2-CE 3.42Å; E633-K636 IonicContact OE2-NZ 2.76Å; E633-K636 PolarHBondContact OE2-NZ 3.15Å
634D90.8Very high86.4Confident57 Ų5751.6 Ų51.631%0.30527%0.272SS..Hα-helixtrans-55.9-40.1179.6-65.9-26.5000111.3K630 F631 K636 A637 T647K630-D634 WeakPolarHBondContact CE-OD2 3.26Å; K630-D634 IonicContact NZ-OD1 3.53Å; K630-D634 PolarHBondContact NZ-OD1 2.95Å; K630-D634 IonicContact NZ-OD2 2.78Å; K630-D634 PolarHBondContact NZ-OD2 3.01Å; K630-D634 PolarHBondContact O-N 2.7Å; F631-D634 PolarHBondContact O-N 3.3Å; D634-K636 PolarHBondContact O-N 3.35Å; D634-K636 VanDerWaalsContact O-N 3.15Å; D634-A637 PolarHBondContact O-N 3.38Å; D634-A637 VanDerWaalsContact O-N 3.08Å; D634-T647 HydrophobicContact CB-CG2 3.76Å
635I88.5Confident86.1Confident35 Ų3552.5 Ų52.518%0.17928%0.275CS..G310 helixtrans-53.2-32.1173.5-82.4168.4000113L462 F631 E633 A637 V638L462-I635 HydrophobicContact CD1-CG2 4.33Å; L462-I635 HydrophobicContact CD2-CD1 4.39Å; L462-I635 HydrophobicContact CD2-CG2 3.86Å; F631-I635 HydrophobicContact CD1-CD1 3.99Å; F631-I635 HydrophobicContact CD2-CD1 3.99Å; F631-I635 HydrophobicContact CD2-CG1 4.04Å; F631-I635 HydrophobicContact CE1-CD1 3.76Å; F631-I635 HydrophobicContact CE2-CD1 3.75Å; F631-I635 HydrophobicContact CE2-CG1 3.85Å; F631-I635 HydrophobicContact CG-CD1 4.11Å; F631-I635 HydrophobicContact CZ-CD1 3.65Å; F631-I635 HydrophobicContact CZ-CG1 4.22Å; F631-I635 VanDerWaalsContact O-CB 3.31Å; F631-I635 WeakPolarHBondContact O-CB 3.35Å; F631-I635 WeakPolarHBondContact O-CD1 3.25Å; F631-I635 VanDerWaalsContact O-CG1 3.22Å; F631-I635 WeakPolarHBondContact O-CG1 3.42Å; F631-I635 PolarHBondContact O-N 3.08Å; E633-I635 VanDerWaalsContact C-N 3.26Å; E633-I635 PolarHBondContact O-N 3.04Å; I635-A637 VanDerWaalsContact C-N 3.25Å; I635-A637 PolarHBondContact O-N 3.3Å; I635-V638 WeakPolarHBondContact O-CB 3.16Å; I635-V638 PolarHBondContact O-N 3.5Å
636K86.2Confident86Confident144 Ų14456.5 Ų56.563%0.62628%0.282SS*.G310 helixtrans-71.8-22.4-177.6-55.4175.2-169.5170.70112.6A632 E633 D634A632-K636 VanDerWaalsContact O-CE 3.25Å; A632-K636 WeakPolarHBondContact O-CE 3.49Å; E633-K636 VanDerWaalsContact O-CB 3.28Å; E633-K636 WeakPolarHBondContact O-CB 3.45Å; E633-K636 PolarHBondContact O-N 2.93Å; E633-K636 WeakPolarHBondContact OE1-CE 3.19Å; E633-K636 IonicContact OE1-NZ 2.73Å; E633-K636 PolarHBondContact OE1-NZ 2.74Å; E633-K636 WeakPolarHBondContact OE2-CE 3.42Å; E633-K636 IonicContact OE2-NZ 2.76Å; E633-K636 PolarHBondContact OE2-NZ 3.15Å; D634-K636 PolarHBondContact O-N 3.35Å; D634-K636 VanDerWaalsContact O-N 3.15Å
637A84.8Confident86.1Confident70 Ų7054.2 Ų54.258%0.57927%0.271SS*.G310 helixtrans-953.4176.300000112.9D634 I635 E639D634-A637 PolarHBondContact O-N 3.38Å; D634-A637 VanDerWaalsContact O-N 3.08Å; I635-A637 VanDerWaalsContact C-N 3.25Å; I635-A637 PolarHBondContact O-N 3.3Å; A637-E639 PolarHBondContact O-N 3.18Å
638V84.6Confident86.1Confident9 Ų954 Ų546%0.05527%0.27CS..  trans-74.7100178.9175.40000110W452 I635 S640 W643 L644 T647W452-V638 HydrophobicContact CH2-CB 4.13Å; W452-V638 HydrophobicContact CH2-CG1 3.64Å; W452-V638 VanDerWaalsContact CH2-O 3.24Å; W452-V638 WeakPolarHBondContact CH2-O 3.47Å; W452-V638 WeakPolarHBondContact CZ2-O 3.43Å; W452-V638 HydrophobicContact CZ3-CG1 3.76Å; I635-V638 WeakPolarHBondContact O-CB 3.16Å; I635-V638 PolarHBondContact O-N 3.5Å; V638-S640 WeakPolarHBondContact CG1-O 3.34Å; V638-W643 HydrophobicContact CG1-CB 4Å; V638-L644 HydrophobicContact CG1-CB 3.73Å; V638-L644 HydrophobicContact CG1-CD1 4.28Å; V638-L644 VanDerWaalsContact CG1-N 3.34Å; V638-T647 HydrophobicContact CG2-CG2 4.24Å
639E75.5Confident86.1Confident143 Ų14355.7 Ų55.767%0.66828%0.28SS*.  trans-79.7-15.1175.7-61.6-167.4164.500113.4H448 A637 W643H448-E639 PolarHBondContact CE1-O 3.21Å; A637-E639 PolarHBondContact O-N 3.18Å; E639-W643 HydrophobicContact CB-CE3 4.22Å; E639-W643 HydrophobicContact CB-CZ3 4.17Å; E639-W643 HydrophobicContact CG-CZ3 4.1Å
640S77.2Confident86.2Confident18 Ų1857.9 Ų57.913%0.12629%0.285CS..SBendtrans-144.3165.6-17482.90000117H448 V638 W643 L644H448-S640 VanDerWaalsContact CE1-CA 3.47Å; H448-S640 WeakPolarHBondContact CE1-CA 3.2Å; H448-S640 WeakPolarHBondContact NE2-CA 3.32Å; H448-S640 VanDerWaalsContact NE2-CB 3.27Å; H448-S640 WeakPolarHBondContact NE2-CB 3.49Å; V638-S640 WeakPolarHBondContact CG1-O 3.34Å; S640-W643 PolarHBondContact O-N 3.35Å; S640-W643 WeakPolarHBondContact OG-CB 3.32Å; S640-W643 PolarHBondContact OG-N 3.4Å; S640-L644 PolarHBondContact O-N 2.65Å
641V80.5Confident86.3Confident2 Ų252.9 Ų52.91%0.01226%0.263CS..Hα-helixtrans-73-37.4-179.1177.70000111H448 L451 W452 Y455 I559 W643 L644 R645H448-V641 WeakPolarHBondContact NE2-CG2 3.18Å; H448-V641 PolarHBondContact NE2-N 2.84Å; L451-V641 HydrophobicContact CD2-CB 3.96Å; L451-V641 HydrophobicContact CD2-CG1 4.03Å; L451-V641 HydrophobicContact CD2-CG2 3.79Å; L451-V641 HydrophobicContact CG-CG2 4.04Å; W452-V641 HydrophobicContact CE3-CG2 4.02Å; Y455-V641 HydrophobicContact CD2-CG1 3.75Å; Y455-V641 HydrophobicContact CD2-CG2 3.94Å; Y455-V641 HydrophobicContact CE2-CG1 3.72Å; I559-V641 HydrophobicContact CD1-CG1 3.36Å; V641-W643 VanDerWaalsContact C-N 3.33Å; V641-L644 WeakPolarHBondContact O-CB 3.39Å; V641-L644 PolarHBondContact O-N 2.88Å; V641-R645 PolarHBondContact O-N 3.37Å; V641-R645 VanDerWaalsContact O-N 3.16Å
642D76.8Confident86.4Confident16 Ų1652.8 Ų52.89%0.08626%0.263CS..Hα-helixtrans-66.1-35169.2-98.4-33.1000112.2R375 Y376 R645 R646R375-D642 IonicContact NH2-OD2 3.72Å; Y376-D642 PolarHBondContact OH-OD2 3Å; D642-R645 IonicContact OD1-CZ 3.67Å; D642-R645 IonicContact OD1-NE 2.8Å; D642-R645 PolarHBondContact OD1-NE 3.09Å; D642-R645 IonicContact OD1-NH2 2.63Å; D642-R645 PolarHBondContact OD1-NH2 3.27Å; D642-R646 WeakPolarHBondContact O-CG 3.45Å; D642-R646 PolarHBondContact O-N 2.86Å; D642-R646 VanDerWaalsContact O-N 3.1Å
643W83.8Confident86.5Confident121 Ų12153.7 Ų53.746%0.45827%0.267SS..Hα-helixtrans-66.6-43.6172.6-72.722.5000111.1V638 E639 S640 V641 R645 R646 T647V638-W643 HydrophobicContact CG1-CB 4Å; E639-W643 HydrophobicContact CB-CE3 4.22Å; E639-W643 HydrophobicContact CB-CZ3 4.17Å; E639-W643 HydrophobicContact CG-CZ3 4.1Å; S640-W643 PolarHBondContact O-N 3.35Å; S640-W643 WeakPolarHBondContact OG-CB 3.32Å; S640-W643 PolarHBondContact OG-N 3.4Å; V641-W643 VanDerWaalsContact C-N 3.33Å; W643-R645 VanDerWaalsContact C-N 3.27Å; W643-R645 PolarHBondContact O-N 3.21Å; W643-R646 CarbonylContact O-C 3.59Å; W643-R646 WeakPolarHBondContact O-CB 3.29Å; W643-R646 PolarHBondContact O-N 2.6Å; W643-T647 WeakPolarHBondContact O-CB 3.45Å; W643-T647 PolarHBondContact O-N 3.39Å; W643-T647 PolarHBondContact O-OG1 2.75Å
644L87.3Confident86.5Confident0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-54.9-44.3176.9-17563.7000111.8W452 V461 L462 L465 I559 V638 S640 V641 H648W452-L644 HydrophobicContact CZ3-CB 4.45Å; V461-L644 HydrophobicContact CG1-CD2 3.66Å; V461-L644 HydrophobicContact CG2-CD2 4.13Å; L462-L644 HydrophobicContact CD2-CD1 4.15Å; L465-L644 HydrophobicContact CD1-CD1 4.39Å; I559-L644 HydrophobicContact CG2-CD2 4.01Å; I559-L644 HydrophobicContact CG2-CG 4.17Å; V638-L644 HydrophobicContact CG1-CB 3.73Å; V638-L644 HydrophobicContact CG1-CD1 4.28Å; V638-L644 VanDerWaalsContact CG1-N 3.34Å; S640-L644 PolarHBondContact O-N 2.65Å; V641-L644 WeakPolarHBondContact O-CB 3.39Å; V641-L644 PolarHBondContact O-N 2.88Å; L644-H648 WeakPolarHBondContact O-CB 3.42Å; L644-H648 PolarHBondContact O-N 3.42Å
645R84.9Confident86.6Confident23 Ų2347.3 Ų47.39%0.08724%0.241CC..Hα-helixtrans-65.8-37.9177.6-176.2171.868.8127.1-6.5112.7E349 L558 V641 D642 W643 T649E349-R645 IonicContact OE1-CZ 3.6Å; E349-R645 IonicContact OE1-NH1 2.63Å; E349-R645 IonicContact OE1-NH2 2.68Å; E349-R645 PolarHBondContact OE1-NH2 3.14Å; E349-R645 IonicContact OE2-CZ 3.97Å; E349-R645 IonicContact OE2-NH1 3.72Å; E349-R645 PolarHBondContact OE2-NH1 3.48Å; E349-R645 IonicContact OE2-NH2 3.49Å; E349-R645 PolarHBondContact OE2-NH2 3.41Å; L558-R645 WeakPolarHBondContact O-CD 3.46Å; V641-R645 PolarHBondContact O-N 3.37Å; V641-R645 VanDerWaalsContact O-N 3.16Å; D642-R645 IonicContact OD1-CZ 3.67Å; D642-R645 IonicContact OD1-NE 2.8Å; D642-R645 PolarHBondContact OD1-NE 3.09Å; D642-R645 IonicContact OD1-NH2 2.63Å; D642-R645 PolarHBondContact OD1-NH2 3.27Å; W643-R645 VanDerWaalsContact C-N 3.27Å; W643-R645 PolarHBondContact O-N 3.21Å; R645-T649 PolarHBondContact O-N 2.69Å; R645-T649 PolarHBondContact O-OG1 3.21Å
646R86Confident86.8Confident155 Ų15547 Ų4759%0.58524%0.239SC*.Hα-helixtrans-66.4-58.8172.5-71.3174-174-170.90.5110.5D642 W643 H648 T649 D650D642-R646 WeakPolarHBondContact O-CG 3.45Å; D642-R646 PolarHBondContact O-N 2.86Å; D642-R646 VanDerWaalsContact O-N 3.1Å; W643-R646 CarbonylContact O-C 3.59Å; W643-R646 WeakPolarHBondContact O-CB 3.29Å; W643-R646 PolarHBondContact O-N 2.6Å; R646-H648 PolarHBondContact O-N 2.91Å; R646-H648 VanDerWaalsContact O-N 3.08Å; R646-T649 CarbonylContact O-C 3.6Å; R646-T649 WeakPolarHBondContact O-CA 3.37Å; R646-T649 WeakPolarHBondContact O-CB 3.29Å; R646-T649 PolarHBondContact O-N 3.06Å; R646-D650 PolarHBondContact O-N 2.77Å; R646-D650 VanDerWaalsContact O-OD2 3.08Å
647T90.4Very high87Confident25 Ų2542.5 Ų42.515%0.15322%0.22CC..Hα-helixtrans-54.3-33.9179.9-51.90000113F631 D634 V638 W643 F651F631-T647 HydrophobicContact CD2-CG2 4.03Å; F631-T647 HydrophobicContact CE2-CG2 4.05Å; D634-T647 HydrophobicContact CB-CG2 3.76Å; V638-T647 HydrophobicContact CG2-CG2 4.24Å; W643-T647 WeakPolarHBondContact O-CB 3.45Å; W643-T647 PolarHBondContact O-N 3.39Å; W643-T647 PolarHBondContact O-OG1 2.75Å; T647-F651 VanDerWaalsContact O-CB 3.26Å; T647-F651 WeakPolarHBondContact O-CB 3.28Å; T647-F651 PolarHBondContact O-N 2.98Å
648H91.5Very high87.2Confident0 Ų042.4 Ų42.40%020%0.204CC..Hα-helixtrans-69.8-42.4171.4-179.4-120.5000113.7L465 Y568 F631 L644 R646 F651 L652L465-H648 WeakPolarHBondContact CD2-CD2 3.47Å; L465-H648 WeakPolarHBondContact CD2-NE2 3.14Å; Y568-H648 AromaticContact CE2-CE1 3.71Å; Y568-H648 AromaticContact CE2-NE2 3.39Å; Y568-H648 WeakPolarHBondContact CE2-NE2 3.45Å; Y568-H648 AromaticContact CZ-NE2 3.64Å; Y568-H648 PolarHBondContact OH-NE2 2.71Å; F631-H648 HydrophobicContact CE2-CB 4.41Å; F631-H648 HydrophobicContact CZ-CB 4.24Å; F631-H648 AromaticContact CZ-CD2 3.79Å; L644-H648 WeakPolarHBondContact O-CB 3.42Å; L644-H648 PolarHBondContact O-N 3.42Å; R646-H648 PolarHBondContact O-N 2.91Å; R646-H648 VanDerWaalsContact O-N 3.08Å; H648-F651 PolarHBondContact O-N 2.96Å; H648-L652 PolarHBondContact O-N 2.96Å; H648-L652 VanDerWaalsContact O-N 3.17Å
649T88.9Confident87.6Confident35 Ų3542 Ų4222%0.21520%0.202CC..Hα-helixtrans-63.3-44.7174.3-53.90000110.7R645 R646 F651 L652 S653R645-T649 PolarHBondContact O-N 2.69Å; R645-T649 PolarHBondContact O-OG1 3.21Å; R646-T649 CarbonylContact O-C 3.6Å; R646-T649 WeakPolarHBondContact O-CA 3.37Å; R646-T649 WeakPolarHBondContact O-CB 3.29Å; R646-T649 PolarHBondContact O-N 3.06Å; T649-F651 VanDerWaalsContact C-N 3.32Å; T649-F651 PolarHBondContact O-N 2.79Å; T649-L652 PolarHBondContact O-N 3.04Å; T649-S653 PolarHBondContact O-N 3.21Å; T649-S653 PolarHBondContact O-OG 3.03Å
650D90.2Very high88.3Confident95 Ų9535.2 Ų35.251%0.50817%0.17SC..Hα-helixtrans-63.7-37.2179.2-55-31.6000111.4R646 A654R646-D650 PolarHBondContact O-N 2.77Å; R646-D650 VanDerWaalsContact O-OD2 3.08Å; D650-A654 WeakPolarHBondContact O-CB 3.15Å; D650-A654 PolarHBondContact O-N 3.35Å
651F93.7Very high88.9Confident9 Ų935.6 Ų35.64%0.03917%0.169CC..Hα-helixtrans-63.7-44.1173.5160.8-118.2000113.1D469 L473 A627 F631 T647 H648 T649 A654 I655D469-F651 WeakPolarHBondContact OD1-CE1 3.45Å; L473-F651 HydrophobicContact CD1-CE1 4.48Å; L473-F651 HydrophobicContact CD1-CZ 3.91Å; A627-F651 HydrophobicContact CB-CD2 4.44Å; A627-F651 HydrophobicContact CB-CE2 4.21Å; F631-F651 HydrophobicContact CB-CB 4.17Å; F631-F651 HydrophobicContact CB-CD2 3.42Å; F631-F651 VanDerWaalsContact CB-CD2 3.42Å; F631-F651 HydrophobicContact CB-CE2 3.81Å; F631-F651 HydrophobicContact CB-CG 3.8Å; F631-F651 HydrophobicContact CB-CZ 4.49Å; F631-F651 HydrophobicContact CD1-CB 4.31Å; F631-F651 AromaticContact CD1-CD1 3.46Å; F631-F651 HydrophobicContact CD1-CD1 3.46Å; F631-F651 VanDerWaalsContact CD1-CD1 3.46Å; F631-F651 AromaticContact CD1-CD2 3.85Å; F631-F651 HydrophobicContact CD1-CD2 3.85Å; F631-F651 AromaticContact CD1-CE1 3.5Å; F631-F651 HydrophobicContact CD1-CE1 3.5Å; F631-F651 AromaticContact CD1-CE2 3.89Å; F631-F651 HydrophobicContact CD1-CE2 3.89Å; F631-F651 AromaticContact CD1-CG 3.61Å; F631-F651 HydrophobicContact CD1-CG 3.61Å; F631-F651 AromaticContact CD1-CZ 3.7Å; F631-F651 HydrophobicContact CD1-CZ 3.7Å; F631-F651 HydrophobicContact CD2-CB 3.52Å; F631-F651 HydrophobicContact CD2-CD1 4.16Å; F631-F651 HydrophobicContact CD2-CD2 4.3Å; F631-F651 AromaticContact CD2-CG 3.75Å; F631-F651 HydrophobicContact CD2-CG 3.75Å; F631-F651 AromaticContact CE1-CD1 3.46Å; F631-F651 HydrophobicContact CE1-CD1 3.46Å; F631-F651 VanDerWaalsContact CE1-CD1 3.46Å; F631-F651 AromaticContact CE1-CE1 3.58Å; F631-F651 HydrophobicContact CE1-CE1 3.58Å; F631-F651 HydrophobicContact CE1-CG 4.01Å; F631-F651 HydrophobicContact CE1-CZ 4.23Å; F631-F651 HydrophobicContact CE2-CB 3.85Å; F631-F651 HydrophobicContact CE2-CD1 4.16Å; F631-F651 HydrophobicContact CE2-CG 4.15Å; F631-F651 HydrophobicContact CG-CB 3.77Å; F631-F651 AromaticContact CG-CD1 3.82Å; F631-F651 HydrophobicContact CG-CD1 3.82Å; F631-F651 AromaticContact CG-CD2 3.63Å; F631-F651 HydrophobicContact CG-CD2 3.63Å; F631-F651 HydrophobicContact CG-CE1 4.24Å; F631-F651 HydrophobicContact CG-CE2 4.07Å; F631-F651 AromaticContact CG-CG 3.46Å; F631-F651 HydrophobicContact CG-CG 3.46Å; F631-F651 VanDerWaalsContact CG-CG 3.46Å; F631-F651 HydrophobicContact CG-CZ 4.34Å; F631-F651 HydrophobicContact CZ-CB 4.37Å; F631-F651 AromaticContact CZ-CD1 3.81Å; F631-F651 HydrophobicContact CZ-CD1 3.81Å; F631-F651 HydrophobicContact CZ-CE1 4.37Å; F631-F651 HydrophobicContact CZ-CG 4.26Å; T647-F651 VanDerWaalsContact O-CB 3.26Å; T647-F651 WeakPolarHBondContact O-CB 3.28Å; T647-F651 PolarHBondContact O-N 2.98Å; H648-F651 PolarHBondContact O-N 2.96Å; T649-F651 VanDerWaalsContact C-N 3.32Å; T649-F651 PolarHBondContact O-N 2.79Å; F651-A654 PolarHBondContact O-N 2.99Å; F651-I655 HydrophobicContact CD2-CD1 4.04Å; F651-I655 HydrophobicContact CD2-CG1 4.31Å; F651-I655 HydrophobicContact CE1-CD1 4.04Å; F651-I655 HydrophobicContact CE2-CD1 3.48Å; F651-I655 VanDerWaalsContact CE2-CD1 3.48Å; F651-I655 HydrophobicContact CE2-CG1 4Å; F651-I655 HydrophobicContact CZ-CD1 3.5Å; F651-I655 HydrophobicContact CZ-CG1 4.5Å; F651-I655 PolarHBondContact O-N 2.73Å
652L93.2Very high89.2Confident4 Ų439.6 Ų39.62%0.02119%0.191CC..Hα-helixtrans-63.6-46.3176-73.7176.5000111.4V567 Y568 I571 H648 T649 A654 I655 Q656V567-L652 HydrophobicContact CG1-CB 4.03Å; V567-L652 HydrophobicContact CG1-CD1 4.43Å; V567-L652 HydrophobicContact CG1-CD2 4.39Å; Y568-L652 HydrophobicContact CD1-CD2 3.76Å; Y568-L652 HydrophobicContact CD2-CD1 4.17Å; Y568-L652 HydrophobicContact CD2-CD2 4.05Å; Y568-L652 HydrophobicContact CE1-CD2 3.69Å; Y568-L652 HydrophobicContact CE2-CD1 4.2Å; Y568-L652 HydrophobicContact CE2-CD2 3.98Å; Y568-L652 HydrophobicContact CG-CD2 3.95Å; I571-L652 HydrophobicContact CD1-CD2 4.33Å; H648-L652 PolarHBondContact O-N 2.96Å; H648-L652 VanDerWaalsContact O-N 3.17Å; T649-L652 PolarHBondContact O-N 3.04Å; L652-A654 VanDerWaalsContact C-N 3.29Å; L652-A654 PolarHBondContact O-N 2.78Å; L652-I655 PolarHBondContact O-N 3.14Å; L652-I655 VanDerWaalsContact O-N 3.15Å; L652-Q656 PolarHBondContact O-N 3.42Å; L652-Q656 VanDerWaalsContact O-N 3.11Å
653S91Very high89.7Confident55 Ų5539.5 Ų39.539%0.38519%0.191SC..Hα-helixtrans-58-41.8173.1-60.10000111.6T649 I655 Q656 F657T649-S653 PolarHBondContact O-N 3.21Å; T649-S653 PolarHBondContact O-OG 3.03Å; S653-I655 PolarHBondContact O-N 3.17Å; S653-Q656 PolarHBondContact O-N 2.91Å; S653-F657 VanDerWaalsContact O-CB 3.25Å; S653-F657 WeakPolarHBondContact O-CB 3.44Å; S653-F657 PolarHBondContact O-N 3.3Å
654A90.9Very high90Very high34 Ų3438.7 Ų38.728%0.28120%0.202SC..Hα-helixtrans-66-31.8177.300000113.2D650 F651 L652 R658D650-A654 WeakPolarHBondContact O-CB 3.15Å; D650-A654 PolarHBondContact O-N 3.35Å; F651-A654 PolarHBondContact O-N 2.99Å; L652-A654 VanDerWaalsContact C-N 3.29Å; L652-A654 PolarHBondContact O-N 2.78Å; A654-R658 WeakPolarHBondContact O-CB 3.43Å; A654-R658 VanDerWaalsContact O-CG 3.23Å; A654-R658 WeakPolarHBondContact O-CG 3.34Å; A654-R658 PolarHBondContact O-N 3.15Å
655I92.8Very high90.1Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-66.1-51.5170.8-70.6163.6000110.4L473 I571 I624 A627 F651 L652 S653 F657 R658 C659L473-I655 HydrophobicContact CD1-CD1 3.54Å; L473-I655 HydrophobicContact CD2-CD1 4.12Å; I571-I655 HydrophobicContact CD1-CB 4.31Å; I571-I655 HydrophobicContact CD1-CG2 3.86Å; I571-I655 HydrophobicContact CG1-CG2 4.37Å; I571-I655 HydrophobicContact CG2-CG2 4.25Å; I624-I655 HydrophobicContact CG1-CG2 4.02Å; A627-I655 HydrophobicContact CB-CG1 3.66Å; F651-I655 HydrophobicContact CD2-CD1 4.04Å; F651-I655 HydrophobicContact CD2-CG1 4.31Å; F651-I655 HydrophobicContact CE1-CD1 4.04Å; F651-I655 HydrophobicContact CE2-CD1 3.48Å; F651-I655 VanDerWaalsContact CE2-CD1 3.48Å; F651-I655 HydrophobicContact CE2-CG1 4Å; F651-I655 HydrophobicContact CZ-CD1 3.5Å; F651-I655 HydrophobicContact CZ-CG1 4.5Å; F651-I655 PolarHBondContact O-N 2.73Å; L652-I655 PolarHBondContact O-N 3.14Å; L652-I655 VanDerWaalsContact O-N 3.15Å; S653-I655 PolarHBondContact O-N 3.17Å; I655-F657 PolarHBondContact O-N 2.89Å; I655-R658 PolarHBondContact O-N 3.15Å; I655-C659 WeakPolarHBondContact O-CB 3.29Å; I655-C659 PolarHBondContact O-N 3.19Å; I655-C659 PolarHBondContact O-SG 2.97Å
656Q92Very high90.3Very high29 Ų2939.9 Ų39.914%0.13621%0.213CC..Hα-helixtrans-61.4-35.3-178.8-62.1174.7-66.900111.9V567 I571 L652 S653 L660 F661 N662V567-Q656 HydrophobicContact CG1-CG 4.15Å; I571-Q656 HydrophobicContact CD1-CG 4.05Å; I571-Q656 HydrophobicContact CG1-CG 4.21Å; L652-Q656 PolarHBondContact O-N 3.42Å; L652-Q656 VanDerWaalsContact O-N 3.11Å; S653-Q656 PolarHBondContact O-N 2.91Å; Q656-L660 PolarHBondContact O-N 3.46Å; Q656-F661 PolarHBondContact O-N 3.38Å; Q656-N662 VanDerWaalsContact CB-OD1 3.27Å; Q656-N662 WeakPolarHBondContact CB-OD1 3.43Å; Q656-N662 PolarHBondContact O-N 3.42Å; Q656-N662 VanDerWaalsContact O-N 3.08Å
657F90.2Very high90.6Very high50 Ų5035 Ų3522%0.21920%0.197CC..Hα-helixtrans-69.1-55174.3-171.7-98.4000111.9S653 I655 C659 L660 E717 L718S653-F657 VanDerWaalsContact O-CB 3.25Å; S653-F657 WeakPolarHBondContact O-CB 3.44Å; S653-F657 PolarHBondContact O-N 3.3Å; I655-F657 PolarHBondContact O-N 2.89Å; F657-C659 PolarHBondContact O-N 3.49Å; F657-L660 WeakPolarHBondContact O-CA 3.22Å; F657-L660 PolarHBondContact O-N 2.98Å; F657-E717 HydrophobicContact CE1-CB 3.94Å; F657-E717 HydrophobicContact CZ-CB 3.52Å; F657-L718 HydrophobicContact CD1-CD2 3.95Å; F657-L718 HydrophobicContact CD2-CD2 3.76Å; F657-L718 HydrophobicContact CD2-CG 4.45Å; F657-L718 HydrophobicContact CE1-CD2 3.63Å; F657-L718 HydrophobicContact CE1-CG 4.18Å; F657-L718 HydrophobicContact CE2-CD1 4.49Å; F657-L718 HydrophobicContact CE2-CD2 3.41Å; F657-L718 VanDerWaalsContact CE2-CD2 3.41Å; F657-L718 HydrophobicContact CE2-CG 3.65Å; F657-L718 HydrophobicContact CG-CD2 4.01Å; F657-L718 HydrophobicContact CZ-CB 4.3Å; F657-L718 HydrophobicContact CZ-CD2 3.34Å; F657-L718 HydrophobicContact CZ-CG 3.49Å; F657-L718 VanDerWaalsContact CZ-CG 3.49Å
658R90.8Very high90.7Very high68 Ų6838.2 Ų38.226%0.25721%0.213SC..Hα-helixtrans-62.1-38.9-177.9-79.3-177163.9-75.7-12.8113.9E623 A654 I655 L660 N721E623-R658 HydrophobicContact CB-CB 4.14Å; E623-R658 IonicContact OE1-NH1 2.64Å; E623-R658 WeakPolarHBondContact OE2-CB 3.5Å; E623-R658 WeakPolarHBondContact OE2-CD 3.01Å; E623-R658 IonicContact OE2-CZ 2.69Å; E623-R658 IonicContact OE2-NE 3.06Å; E623-R658 IonicContact OE2-NH1 3.31Å; E623-R658 PolarHBondContact OE2-NH1 3.28Å; A654-R658 WeakPolarHBondContact O-CB 3.43Å; A654-R658 VanDerWaalsContact O-CG 3.23Å; A654-R658 WeakPolarHBondContact O-CG 3.34Å; A654-R658 PolarHBondContact O-N 3.15Å; I655-R658 PolarHBondContact O-N 3.15Å; R658-L660 PolarHBondContact O-N 2.89Å; R658-N721 VanDerWaalsContact CA-ND2 3.3Å; R658-N721 WeakPolarHBondContact CA-ND2 3.2Å; R658-N721 WeakPolarHBondContact CB-ND2 3.26Å; R658-N721 PolarHBondContact O-ND2 3.04Å
659C91.2Very high90.7Very high0 Ų038.4 Ų38.40%021%0.214CC..THydrogen-bonded Turntrans-80.34176.7-55.10000112.8I620 I655 F657 F661 F670I620-C659 HydrophobicContact CG2-CB 4.45Å; I655-C659 WeakPolarHBondContact O-CB 3.29Å; I655-C659 PolarHBondContact O-N 3.19Å; I655-C659 PolarHBondContact O-SG 2.97Å; F657-C659 PolarHBondContact O-N 3.49Å; C659-F661 HydrophobicContact CB-CD1 3.86Å; C659-F661 HydrophobicContact CB-CD2 3.89Å; C659-F661 HydrophobicContact CB-CE1 3.67Å; C659-F661 HydrophobicContact CB-CE2 3.72Å; C659-F661 HydrophobicContact CB-CG 3.97Å; C659-F661 HydrophobicContact CB-CZ 3.61Å; C659-F661 WeakPolarHBondContact O-CD1 3.27Å; C659-F661 WeakPolarHBondContact O-CE1 3.47Å; C659-F661 PolarHBondContact O-N 3.48Å; C659-F661 VanDerWaalsContact O-N 3.14Å; C659-F670 WeakPolarHBondContact O-CE2 3.47Å
660L91.2Very high90.9Very high1 Ų136.8 Ų36.81%0.00520%0.204CC..THydrogen-bonded Turntrans62.114.2180-45.8177.2000114.4F619 Q656 F657 R658 N662 S663 I666 F670 L710 L718 N721 T722 L725F619-L660 HydrophobicContact CE1-CD1 4.23Å; F619-L660 HydrophobicContact CE1-CG 4.39Å; F619-L660 HydrophobicContact CZ-CD1 4.26Å; F619-L660 HydrophobicContact CZ-CG 4.43Å; Q656-L660 PolarHBondContact O-N 3.46Å; F657-L660 WeakPolarHBondContact O-CA 3.22Å; F657-L660 PolarHBondContact O-N 2.98Å; R658-L660 PolarHBondContact O-N 2.89Å; L660-N662 VanDerWaalsContact C-N 3.28Å; L660-N662 PolarHBondContact O-N 3.46Å; L660-S663 PolarHBondContact O-N 2.98Å; L660-S663 VanDerWaalsContact O-N 3.09Å; L660-I666 HydrophobicContact CB-CB 4.38Å; L660-I666 HydrophobicContact CB-CD1 4.48Å; L660-I666 HydrophobicContact CB-CG2 3.62Å; L660-I666 HydrophobicContact CD1-CD1 4.4Å; L660-I666 HydrophobicContact CD1-CG2 3.91Å; L660-I666 HydrophobicContact CG-CG2 4.42Å; L660-F670 HydrophobicContact CD1-CZ 4.41Å; L660-L710 HydrophobicContact CD1-CD2 3.6Å; L660-L718 HydrophobicContact CD2-CD2 3.77Å; L660-N721 HydrophobicContact CD2-CB 4.23Å; L660-T722 HydrophobicContact CD2-CG2 4.49Å; L660-L725 HydrophobicContact CD1-CD2 3.73Å
661F90.4Very high91.1Very high25 Ų2532.8 Ų32.811%0.1118%0.183CC..THydrogen-bonded Turntrans-66.9-28.7179.1-59.7-16.6000112.5I571 T574 I620 Q656 C659 S663 H667 F670I571-F661 HydrophobicContact CG1-CD2 4.47Å; I571-F661 HydrophobicContact CG2-CE2 4.36Å; T574-F661 HydrophobicContact CG2-CD1 4.39Å; T574-F661 HydrophobicContact CG2-CE1 3.77Å; T574-F661 HydrophobicContact CG2-CE2 4.16Å; T574-F661 HydrophobicContact CG2-CZ 3.64Å; I620-F661 HydrophobicContact CD1-CE1 4.09Å; I620-F661 HydrophobicContact CD1-CZ 4.31Å; I620-F661 HydrophobicContact CG1-CE1 4.31Å; I620-F661 HydrophobicContact CG1-CZ 4.44Å; I620-F661 HydrophobicContact CG2-CE1 4.5Å; I620-F661 HydrophobicContact CG2-CZ 3.82Å; Q656-F661 PolarHBondContact O-N 3.38Å; C659-F661 HydrophobicContact CB-CD1 3.86Å; C659-F661 HydrophobicContact CB-CD2 3.89Å; C659-F661 HydrophobicContact CB-CE1 3.67Å; C659-F661 HydrophobicContact CB-CE2 3.72Å; C659-F661 HydrophobicContact CB-CG 3.97Å; C659-F661 HydrophobicContact CB-CZ 3.61Å; C659-F661 WeakPolarHBondContact O-CD1 3.27Å; C659-F661 WeakPolarHBondContact O-CE1 3.47Å; C659-F661 PolarHBondContact O-N 3.48Å; C659-F661 VanDerWaalsContact O-N 3.14Å; F661-S663 PolarHBondContact O-N 3.16Å; F661-H667 AromaticContact CD1-ND1 3.73Å; F661-F670 HydrophobicContact CE1-CD2 4.2Å; F661-F670 HydrophobicContact CE1-CE2 4.33Å
662N85.8Confident91Very high87 Ų8733.5 Ų33.547%0.46519%0.187SC..THydrogen-bonded Turntrans-67.9-8.6172.7-79.5-14.9000113.9Q656 L660 P664Q656-N662 VanDerWaalsContact CB-OD1 3.27Å; Q656-N662 WeakPolarHBondContact CB-OD1 3.43Å; Q656-N662 PolarHBondContact O-N 3.42Å; Q656-N662 VanDerWaalsContact O-N 3.08Å; L660-N662 VanDerWaalsContact C-N 3.28Å; L660-N662 PolarHBondContact O-N 3.46Å; N662-P664 WeakPolarHBondContact O-CD 3.45Å
663S87.8Confident91Very high13 Ų1333.4 Ų33.49%0.09119%0.186CC..SBendtrans-104.2104.3176.8-168.40000110.4L660 F661 S665 I666 H667 Q713L660-S663 PolarHBondContact O-N 2.98Å; L660-S663 VanDerWaalsContact O-N 3.09Å; F661-S663 PolarHBondContact O-N 3.16Å; S663-S665 VanDerWaalsContact C-N 3.29Å; S663-S665 PolarHBondContact O-N 3.05Å; S663-I666 PolarHBondContact O-N 3.47Å; S663-H667 WeakPolarHBondContact O-CB 3.31Å; S663-H667 PolarHBondContact O-N 2.64Å; S663-Q713 PolarHBondContact OG-NE2 2.75Å
664P89.3Confident91.2Very high104 Ų10430.8 Ų30.868%0.67517%0.168SC*.Hα-helixtrans-62.3-31-169-26.636.1000114.7N662 L668N662-P664 WeakPolarHBondContact O-CD 3.45Å; P664-L668 VanDerWaalsContact O-CB 3.23Å; P664-L668 WeakPolarHBondContact O-CB 3.04Å; P664-L668 PolarHBondContact O-N 2.76Å
665S89.4Confident91.3Very high48 Ų4830.2 Ų30.234%0.33616%0.159SC..Hα-helixtrans-70.6-43.9176.550.80000112.2S663 L668 C669S663-S665 VanDerWaalsContact C-N 3.29Å; S663-S665 PolarHBondContact O-N 3.05Å; S665-L668 PolarHBondContact O-N 3.05Å; S665-C669 PolarHBondContact O-N 3Å; S665-C669 PolarHBondContact O-SG 3.23Å
666I90.6Very high91.3Very high0 Ų030.7 Ų30.70%016%0.163CC..Hα-helixtrans-67.4-45.4178.2-63.9170.6000110.4L660 S663 L668 C669 F670 L706 N709 L710 Q713L660-I666 HydrophobicContact CB-CB 4.38Å; L660-I666 HydrophobicContact CB-CD1 4.48Å; L660-I666 HydrophobicContact CB-CG2 3.62Å; L660-I666 HydrophobicContact CD1-CD1 4.4Å; L660-I666 HydrophobicContact CD1-CG2 3.91Å; L660-I666 HydrophobicContact CG-CG2 4.42Å; S663-I666 PolarHBondContact O-N 3.47Å; I666-L668 VanDerWaalsContact C-N 3.33Å; I666-L668 PolarHBondContact O-N 3.4Å; I666-C669 WeakPolarHBondContact O-CB 3.18Å; I666-C669 PolarHBondContact O-N 3.27Å; I666-F670 HydrophobicContact CG2-CD1 4.3Å; I666-F670 HydrophobicContact CG2-CE1 3.78Å; I666-F670 HydrophobicContact CG2-CZ 3.93Å; I666-F670 WeakPolarHBondContact O-CD1 3.49Å; I666-F670 PolarHBondContact O-N 3.15Å; I666-L706 HydrophobicContact CB-CD1 4.46Å; I666-L706 HydrophobicContact CG2-CD1 3.77Å; I666-N709 HydrophobicContact CG1-CB 4.01Å; I666-L710 HydrophobicContact CD1-CD2 3.83Å; I666-L710 HydrophobicContact CG1-CD2 4.41Å; I666-Q713 HydrophobicContact CD1-CG 4.09Å
667H91.5Very high91.4Very high53 Ų5329.3 Ų29.325%0.24516%0.156CC..Hα-helixtrans-60.9-40.2176.2-178.376.1000112.2F661 S663 F670 M671F661-H667 AromaticContact CD1-ND1 3.73Å; S663-H667 WeakPolarHBondContact O-CB 3.31Å; S663-H667 PolarHBondContact O-N 2.64Å; H667-F670 PolarHBondContact O-N 2.92Å; H667-M671 WeakPolarHBondContact O-CG 3.43Å; H667-M671 PolarHBondContact O-N 2.96Å
668L91.7Very high91.6Very high92 Ų9227 Ų2748%0.48215%0.146SC..Hα-helixtrans-62.1-43.7173.7-179.462.9000111.9P664 S665 I666 F670 M671 D672P664-L668 VanDerWaalsContact O-CB 3.23Å; P664-L668 WeakPolarHBondContact O-CB 3.04Å; P664-L668 PolarHBondContact O-N 2.76Å; S665-L668 PolarHBondContact O-N 3.05Å; I666-L668 VanDerWaalsContact C-N 3.33Å; I666-L668 PolarHBondContact O-N 3.4Å; L668-F670 VanDerWaalsContact C-N 3.34Å; L668-F670 PolarHBondContact O-N 2.95Å; L668-M671 PolarHBondContact O-N 2.76Å; L668-D672 WeakPolarHBondContact O-CB 3.47Å; L668-D672 PolarHBondContact O-N 3.32Å
669C92.2Very high91.7Very high5 Ų524 Ų243%0.03414%0.136CC..Hα-helixtrans-60.2-41175-68.70000112.3S665 I666 I673 L706S665-C669 PolarHBondContact O-N 3Å; S665-C669 PolarHBondContact O-SG 3.23Å; I666-C669 WeakPolarHBondContact O-CB 3.18Å; I666-C669 PolarHBondContact O-N 3.27Å; C669-I673 WeakPolarHBondContact O-CB 3.32Å; C669-I673 WeakPolarHBondContact O-CD1 3.46Å; C669-I673 VanDerWaalsContact O-CG1 3.27Å; C669-I673 WeakPolarHBondContact O-CG1 3.42Å; C669-I673 PolarHBondContact O-N 3.45Å; C669-L706 HydrophobicContact CB-CB 3.94Å; C669-L706 HydrophobicContact CB-CD1 4.17Å
670F93.3Very high91.7Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-60.1-52174.7-72.46.7000111.2L616 F619 I620 C659 L660 F661 I666 H667 L668 D672 I673 F674 L706 L725L616-F670 HydrophobicContact CD1-CD1 4.09Å; L616-F670 HydrophobicContact CD2-CD1 4.07Å; L616-F670 HydrophobicContact CD2-CE1 3.77Å; L616-F670 HydrophobicContact CD2-CZ 4.35Å; F619-F670 HydrophobicContact CD1-CZ 4.45Å; F619-F670 HydrophobicContact CE1-CZ 4.33Å; I620-F670 HydrophobicContact CD1-CD2 3.91Å; I620-F670 HydrophobicContact CD1-CE2 3.97Å; I620-F670 HydrophobicContact CG1-CE2 4.1Å; C659-F670 WeakPolarHBondContact O-CE2 3.47Å; L660-F670 HydrophobicContact CD1-CZ 4.41Å; F661-F670 HydrophobicContact CE1-CD2 4.2Å; F661-F670 HydrophobicContact CE1-CE2 4.33Å; I666-F670 HydrophobicContact CG2-CD1 4.3Å; I666-F670 HydrophobicContact CG2-CE1 3.78Å; I666-F670 HydrophobicContact CG2-CZ 3.93Å; I666-F670 WeakPolarHBondContact O-CD1 3.49Å; I666-F670 PolarHBondContact O-N 3.15Å; H667-F670 PolarHBondContact O-N 2.92Å; L668-F670 VanDerWaalsContact C-N 3.34Å; L668-F670 PolarHBondContact O-N 2.95Å; F670-D672 VanDerWaalsContact C-N 3.34Å; F670-D672 PolarHBondContact O-N 3.28Å; F670-I673 PolarHBondContact O-N 2.88Å; F670-F674 HydrophobicContact CB-CE2 4.05Å; F670-F674 WeakPolarHBondContact O-CD2 3.25Å; F670-F674 WeakPolarHBondContact O-CG 3.37Å; F670-F674 PolarHBondContact O-N 2.9Å; F670-L706 HydrophobicContact CD1-CD1 4.17Å; F670-L706 HydrophobicContact CD1-CD2 4.08Å; F670-L706 HydrophobicContact CE1-CD1 3.79Å; F670-L706 HydrophobicContact CE1-CD2 3.89Å; F670-L725 HydrophobicContact CE1-CD2 3.88Å; F670-L725 HydrophobicContact CZ-CD2 3.79Å
671M93.6Very high91.8Very high11 Ų1124 Ų245%0.05414%0.136CC..Hα-helixtrans-62.1-39.8-178.3-69.4-58.8-63.900112.3T574 Y577 H667 L668 F674 K675T574-M671 HydrophobicContact CG2-SD 4.35Å; Y577-M671 HydrophobicContact CD1-CE 4.03Å; Y577-M671 HydrophobicContact CD2-CE 3.79Å; Y577-M671 HydrophobicContact CE1-CE 4.41Å; Y577-M671 HydrophobicContact CE2-CE 4.19Å; Y577-M671 HydrophobicContact CG-CE 3.73Å; H667-M671 WeakPolarHBondContact O-CG 3.43Å; H667-M671 PolarHBondContact O-N 2.96Å; L668-M671 PolarHBondContact O-N 2.76Å; M671-F674 PolarHBondContact O-N 3.47Å; M671-F674 HydrophobicContact SD-CD2 4.4Å; M671-K675 WeakPolarHBondContact O-CB 3.19Å; M671-K675 VanDerWaalsContact O-CG 3.26Å; M671-K675 WeakPolarHBondContact O-CG 3.27Å; M671-K675 PolarHBondContact O-N 2.82Å
672D92.9Very high91.8Very high25 Ų2524.8 Ų24.813%0.13414%0.14CC..Hα-helixtrans-70.5-30.4176.9-83.512.7000113.3L668 F670 K675 S676 R702L668-D672 WeakPolarHBondContact O-CB 3.47Å; L668-D672 PolarHBondContact O-N 3.32Å; F670-D672 VanDerWaalsContact C-N 3.34Å; F670-D672 PolarHBondContact O-N 3.28Å; D672-K675 IonicContact OD1-NZ 2.66Å; D672-K675 PolarHBondContact OD1-NZ 3.15Å; D672-S676 VanDerWaalsContact O-CB 3.24Å; D672-S676 WeakPolarHBondContact O-CB 3.45Å; D672-S676 PolarHBondContact O-N 3.41Å; D672-S676 PolarHBondContact O-OG 2.88Å; D672-R702 HydrophobicContact CB-CG 4.08Å; D672-R702 IonicContact OD2-CZ 3.45Å; D672-R702 VanDerWaalsContact OD2-CZ 3.27Å; D672-R702 IonicContact OD2-NE 2.71Å; D672-R702 PolarHBondContact OD2-NE 3.33Å; D672-R702 IonicContact OD2-NH2 2.71Å; D672-R702 PolarHBondContact OD2-NH2 3.35Å
673I93.3Very high92.1Very high1 Ų121 Ų211%0.00512%0.12CC..Hα-helixtrans-68.4-43.4171-72.4166.3000110.6F612 L616 C669 F670 S676 T677 T699 R702 L706F612-I673 HydrophobicContact CB-CG2 4.41Å; L616-I673 HydrophobicContact CD1-CB 4.12Å; L616-I673 HydrophobicContact CD1-CD1 3.88Å; L616-I673 HydrophobicContact CD1-CG2 3.77Å; C669-I673 WeakPolarHBondContact O-CB 3.32Å; C669-I673 WeakPolarHBondContact O-CD1 3.46Å; C669-I673 VanDerWaalsContact O-CG1 3.27Å; C669-I673 WeakPolarHBondContact O-CG1 3.42Å; C669-I673 PolarHBondContact O-N 3.45Å; F670-I673 PolarHBondContact O-N 2.88Å; I673-S676 PolarHBondContact O-N 3.43Å; I673-T677 WeakPolarHBondContact O-CB 3.5Å; I673-T677 PolarHBondContact O-N 3.46Å; I673-T677 PolarHBondContact O-OG1 2.83Å; I673-T699 HydrophobicContact CG1-CG2 4.38Å; I673-T699 HydrophobicContact CG2-CG2 4.14Å; I673-R702 HydrophobicContact CD1-CB 4.23Å; I673-R702 HydrophobicContact CG1-CB 3.75Å; I673-L706 HydrophobicContact CD1-CD2 4.24Å
674F94.6Very high92.1Very high0 Ų021.3 Ų21.30%012%0.121CC..Hα-helixtrans-66-41.1176-59.3-44.5000112.3Y577 A578 S581 A613 L616 I620 F670 M671 T677 I678Y577-F674 HydrophobicContact CD1-CB 3.7Å; Y577-F674 HydrophobicContact CE1-CB 3.83Å; A578-F674 HydrophobicContact CB-CD1 4.5Å; A578-F674 HydrophobicContact CB-CD2 4.14Å; A578-F674 HydrophobicContact CB-CE1 3.99Å; A578-F674 HydrophobicContact CB-CE2 3.59Å; A578-F674 HydrophobicContact CB-CZ 3.51Å; S581-F674 WeakPolarHBondContact OG-CD1 3.21Å; A613-F674 HydrophobicContact CB-CD1 4.22Å; A613-F674 HydrophobicContact CB-CE1 4.42Å; L616-F674 HydrophobicContact CB-CE1 4.04Å; L616-F674 HydrophobicContact CB-CZ 3.99Å; L616-F674 HydrophobicContact CD1-CE1 4.43Å; L616-F674 HydrophobicContact CD1-CZ 4.46Å; I620-F674 HydrophobicContact CD1-CE2 4.44Å; I620-F674 HydrophobicContact CD1-CZ 4.16Å; F670-F674 HydrophobicContact CB-CE2 4.05Å; F670-F674 WeakPolarHBondContact O-CD2 3.25Å; F670-F674 WeakPolarHBondContact O-CG 3.37Å; F670-F674 PolarHBondContact O-N 2.9Å; M671-F674 PolarHBondContact O-N 3.47Å; M671-F674 HydrophobicContact SD-CD2 4.4Å; F674-T677 WeakPolarHBondContact O-CB 3.37Å; F674-T677 PolarHBondContact O-N 2.8Å; F674-I678 WeakPolarHBondContact O-CG1 3.43Å; F674-I678 PolarHBondContact O-N 3.49Å; F674-I678 VanDerWaalsContact O-N 3.08Å
675K93.7Very high92Very high23 Ų2322.8 Ų22.810%0.111%0.113CC..Hα-helixtrans-58.3-51.7171.6-74.5168.1-162.5162.20111.6Q538 D540 Y577 M671 D672 T677 I678 A679Q538-K675 PolarHBondContact NE2-O 2.86Å; Q538-K675 PolarHBondContact OE1-O 2.94Å; D540-K675 VanDerWaalsContact CG-CE 3.49Å; D540-K675 WeakPolarHBondContact OD1-CE 3.37Å; D540-K675 IonicContact OD1-NZ 3.68Å; D540-K675 PolarHBondContact OD1-NZ 2.66Å; D540-K675 WeakPolarHBondContact OD2-CE 3.48Å; D540-K675 IonicContact OD2-NZ 3.32Å; D540-K675 PolarHBondContact OD2-NZ 3.33Å; Y577-K675 HydrophobicContact CE1-CG 4.26Å; Y577-K675 WeakPolarHBondContact OH-CG 3.36Å; M671-K675 WeakPolarHBondContact O-CB 3.19Å; M671-K675 VanDerWaalsContact O-CG 3.26Å; M671-K675 WeakPolarHBondContact O-CG 3.27Å; M671-K675 PolarHBondContact O-N 2.82Å; D672-K675 IonicContact OD1-NZ 2.66Å; D672-K675 PolarHBondContact OD1-NZ 3.15Å; K675-T677 PolarHBondContact O-N 2.54Å; K675-I678 PolarHBondContact O-N 3.01Å; K675-I678 VanDerWaalsContact O-N 3.1Å; K675-A679 PolarHBondContact O-N 3Å
676S92.1Very high91.8Very high10 Ų1025.1 Ų25.17%0.0713%0.128CC..Hα-helixtrans-61.1-33.6179.8-59.20000111.5D672 I673 A679 C680 S698 T699D672-S676 VanDerWaalsContact O-CB 3.24Å; D672-S676 WeakPolarHBondContact O-CB 3.45Å; D672-S676 PolarHBondContact O-N 3.41Å; D672-S676 PolarHBondContact O-OG 2.88Å; I673-S676 PolarHBondContact O-N 3.43Å; S676-A679 PolarHBondContact O-N 2.98Å; S676-C680 WeakPolarHBondContact O-CB 3.24Å; S676-C680 PolarHBondContact O-N 2.67Å; S676-S698 PolarHBondContact OG-OG 3Å; S676-T699 WeakPolarHBondContact CB-OG1 3.17Å
677T94Very high91.5Very high0 Ų027.5 Ų27.50%015%0.152CC..Hα-helixtrans-63.5-47.4172.9-59.50000111.9A585 V609 A613 I673 F674 K675 C680 C681A585-T677 HydrophobicContact CB-CG2 3.88Å; V609-T677 HydrophobicContact CG1-CG2 4.17Å; V609-T677 WeakPolarHBondContact CG1-OG1 3.35Å; A613-T677 HydrophobicContact CB-CG2 3.92Å; I673-T677 WeakPolarHBondContact O-CB 3.5Å; I673-T677 PolarHBondContact O-N 3.46Å; I673-T677 PolarHBondContact O-OG1 2.83Å; F674-T677 WeakPolarHBondContact O-CB 3.37Å; F674-T677 PolarHBondContact O-N 2.8Å; K675-T677 PolarHBondContact O-N 2.54Å; T677-C680 WeakPolarHBondContact O-CB 3.4Å; T677-C680 PolarHBondContact O-N 3Å; T677-C681 PolarHBondContact O-N 2.73Å; T677-C681 PolarHBondContact O-SG 3.22Å
678I94.2Very high91.3Very high0 Ų028.4 Ų28.40%016%0.159CC..Hα-helixtrans-63.6-43.2176.2-65.8161.9000111L537 Y577 F580 Y584 F674 K675 C680 C681 E682L537-I678 HydrophobicContact CB-CG2 3.91Å; Y577-I678 HydrophobicContact CD1-CD1 4.28Å; Y577-I678 HydrophobicContact CE1-CD1 3.5Å; Y577-I678 VanDerWaalsContact CE1-CD1 3.5Å; F580-I678 HydrophobicContact CD1-CD1 3.74Å; F580-I678 HydrophobicContact CD1-CG1 4.32Å; F580-I678 HydrophobicContact CE1-CD1 3.83Å; F580-I678 HydrophobicContact CE1-CG1 4.18Å; Y584-I678 HydrophobicContact CD1-CG2 4.17Å; Y584-I678 HydrophobicContact CE1-CG2 4.21Å; F674-I678 WeakPolarHBondContact O-CG1 3.43Å; F674-I678 PolarHBondContact O-N 3.49Å; F674-I678 VanDerWaalsContact O-N 3.08Å; K675-I678 PolarHBondContact O-N 3.01Å; K675-I678 VanDerWaalsContact O-N 3.1Å; I678-C680 VanDerWaalsContact C-N 3.34Å; I678-C680 PolarHBondContact O-N 2.93Å; I678-C681 WeakPolarHBondContact O-CB 3.09Å; I678-C681 PolarHBondContact O-N 3.16Å; I678-C681 VanDerWaalsContact O-N 3.15Å; I678-E682 WeakPolarHBondContact O-CG 3.25Å; I678-E682 PolarHBondContact O-N 3.15Å
679A92.7Very high91Very high6 Ų628 Ų285%0.0516%0.157CC..Hα-helixtrans-65.4-36.3178.300000112.9K675 S676 E682 S683 Y695K675-A679 PolarHBondContact O-N 3Å; S676-A679 PolarHBondContact O-N 2.98Å; A679-E682 PolarHBondContact O-N 2.94Å; A679-S683 WeakPolarHBondContact O-CB 3.42Å; A679-S683 PolarHBondContact O-N 2.84Å; A679-S683 PolarHBondContact O-OG 2.95Å; A679-Y695 HydrophobicContact CB-CD1 3.69Å; A679-Y695 HydrophobicContact CB-CD2 3.86Å; A679-Y695 HydrophobicContact CB-CE1 3.57Å; A679-Y695 HydrophobicContact CB-CE2 3.75Å; A679-Y695 HydrophobicContact CB-CG 3.85Å
680C92.4Very high90.7Very high0 Ų034.1 Ų34.10%019%0.185CC..Hα-helixtrans-62.4-42.8171.3-165.40000111V609 S676 T677 I678 S683 I684V609-C680 HydrophobicContact CG1-CB 4.23Å; S676-C680 WeakPolarHBondContact O-CB 3.24Å; S676-C680 PolarHBondContact O-N 2.67Å; T677-C680 WeakPolarHBondContact O-CB 3.4Å; T677-C680 PolarHBondContact O-N 3Å; I678-C680 VanDerWaalsContact C-N 3.34Å; I678-C680 PolarHBondContact O-N 2.93Å; C680-S683 PolarHBondContact O-N 3.42Å; C680-I684 WeakPolarHBondContact O-CD1 3.32Å; C680-I684 VanDerWaalsContact O-CG1 3.26Å; C680-I684 WeakPolarHBondContact O-CG1 3.39Å; C680-I684 PolarHBondContact O-N 3.27Å
681C92.2Very high90.5Very high0 Ų034.8 Ų34.80%019%0.191CC..Hα-helixtrans-61.3-46174.2-610000112.6Y584 A585 T588 T677 I678 S683 I684 R685Y584-C681 HydrophobicContact CD1-CB 3.74Å; Y584-C681 HydrophobicContact CE1-CB 3.66Å; Y584-C681 HydrophobicContact CG-CB 4.25Å; A585-C681 VanDerWaalsContact CA-SG 3.53Å; T588-C681 HydrophobicContact CG2-CB 4.47Å; T677-C681 PolarHBondContact O-N 2.73Å; T677-C681 PolarHBondContact O-SG 3.22Å; I678-C681 WeakPolarHBondContact O-CB 3.09Å; I678-C681 PolarHBondContact O-N 3.16Å; I678-C681 VanDerWaalsContact O-N 3.15Å; C681-S683 VanDerWaalsContact C-N 3.34Å; C681-S683 PolarHBondContact O-N 2.51Å; C681-I684 PolarHBondContact O-N 3.47Å; C681-R685 WeakPolarHBondContact O-CG 3.23Å; C681-R685 PolarHBondContact O-N 2.85Å
682E91.3Very high90.2Very high42 Ų4234.3 Ų34.320%0.19619%0.188CC..Hα-helixtrans-59.2-44.5175.9-66.9-70.3120.300111.7R496 Y584 I678 A679 I684 R685 C686R496-E682 IonicContact CZ-OE2 2.74Å; R496-E682 VanDerWaalsContact CZ-OE2 3.24Å; R496-E682 IonicContact NE-OE2 3.59Å; R496-E682 PolarHBondContact NE-OE2 3.32Å; R496-E682 IonicContact NH2-OE2 3.04Å; R496-E682 PolarHBondContact NH2-OE2 3.22Å; Y584-E682 WeakPolarHBondContact CE1-OE1 3.45Å; Y584-E682 PolarHBondContact OH-OE1 3.19Å; I678-E682 WeakPolarHBondContact O-CG 3.25Å; I678-E682 PolarHBondContact O-N 3.15Å; A679-E682 PolarHBondContact O-N 2.94Å; E682-I684 VanDerWaalsContact C-N 3.32Å; E682-I684 PolarHBondContact O-N 3.46Å; E682-R685 PolarHBondContact O-N 3.22Å; E682-C686 PolarHBondContact O-N 3.02Å; E682-C686 PolarHBondContact O-SG 3.12Å
683S90.7Very high89.9Confident8 Ų834 Ų346%0.05619%0.189CC..Hα-helixtrans-61.2-40.3179.4-56.10000112A679 C680 C681 C686 G687 D688 T692 Y695A679-S683 WeakPolarHBondContact O-CB 3.42Å; A679-S683 PolarHBondContact O-N 2.84Å; A679-S683 PolarHBondContact O-OG 2.95Å; C680-S683 PolarHBondContact O-N 3.42Å; C681-S683 VanDerWaalsContact C-N 3.34Å; C681-S683 PolarHBondContact O-N 2.51Å; S683-C686 PolarHBondContact O-SG 3.38Å; S683-G687 PolarHBondContact O-N 2.8Å; S683-D688 PolarHBondContact O-N 2.95Å; S683-T692 VanDerWaalsContact CB-OG1 3.25Å; S683-T692 WeakPolarHBondContact CB-OG1 3.36Å; S683-Y695 VanDerWaalsContact OG-CD2 3.31Å; S683-Y695 WeakPolarHBondContact OG-CD2 3.49Å; S683-Y695 VanDerWaalsContact OG-CE2 3.27Å; S683-Y695 WeakPolarHBondContact OG-CE2 3.45Å
684I88.9Confident89.7Confident19 Ų1939.1 Ų39.110%0.09721%0.213CC..Hα-helixtrans-67-43.9175.1-69.1163.3000111T588 L592 F606 C680 C681 E682 C686 G687 T692T588-I684 HydrophobicContact CG2-CB 4.16Å; T588-I684 HydrophobicContact CG2-CG2 3.72Å; L592-I684 HydrophobicContact CD1-CG2 3.87Å; L592-I684 HydrophobicContact CD2-CG2 3.86Å; L592-I684 HydrophobicContact CG-CG2 3.98Å; F606-I684 HydrophobicContact CB-CD1 3.61Å; F606-I684 HydrophobicContact CD1-CD1 3.71Å; F606-I684 HydrophobicContact CD2-CD1 3.25Å; F606-I684 HydrophobicContact CE1-CD1 4.14Å; F606-I684 HydrophobicContact CE2-CD1 3.75Å; F606-I684 HydrophobicContact CG-CD1 3.22Å; F606-I684 HydrophobicContact CZ-CD1 4.16Å; C680-I684 WeakPolarHBondContact O-CD1 3.32Å; C680-I684 VanDerWaalsContact O-CG1 3.26Å; C680-I684 WeakPolarHBondContact O-CG1 3.39Å; C680-I684 PolarHBondContact O-N 3.27Å; C681-I684 PolarHBondContact O-N 3.47Å; E682-I684 VanDerWaalsContact C-N 3.32Å; E682-I684 PolarHBondContact O-N 3.46Å; I684-C686 VanDerWaalsContact C-N 3.28Å; I684-C686 PolarHBondContact O-N 3.48Å; I684-G687 PolarHBondContact O-N 3.08Å; I684-G687 VanDerWaalsContact O-N 3.15Å; I684-T692 HydrophobicContact CD1-CG2 4Å; I684-T692 HydrophobicContact CG1-CG2 3.68Å
685R86Confident89.5Confident136 Ų13643.3 Ų43.351%0.51323%0.23SC..Hα-helixtrans-65.5-27.7179.4-71.5-179.786.3-165.14.6113.1A494 Y584 T588 C681 E682A494-R685 PolarHBondContact O-NH1 3.34Å; Y584-R685 WeakPolarHBondContact OH-CD 3.48Å; Y584-R685 PolarHBondContact OH-NH1 3.2Å; T588-R685 HydrophobicContact CG2-CG 4.49Å; C681-R685 WeakPolarHBondContact O-CG 3.23Å; C681-R685 PolarHBondContact O-N 2.85Å; E682-R685 PolarHBondContact O-N 3.22Å
686C86.4Confident89.3Confident97 Ų9742.4 Ų42.466%0.65523%0.226SC*.Hα-helixtrans-92.4-7.8173.272.20000114.5E682 S683 I684E682-C686 PolarHBondContact O-N 3.02Å; E682-C686 PolarHBondContact O-SG 3.12Å; S683-C686 PolarHBondContact O-SG 3.38Å; I684-C686 VanDerWaalsContact C-N 3.28Å; I684-C686 PolarHBondContact O-N 3.48Å
687G84.3Confident89Confident49 Ų4944.1 Ų44.151%0.50524%0.238SC..THydrogen-bonded Turntrans84.111.4-179.800000115.3S683 I684 L689S683-G687 PolarHBondContact O-N 2.8Å; I684-G687 PolarHBondContact O-N 3.08Å; I684-G687 VanDerWaalsContact O-N 3.15Å; G687-L689 PolarHBondContact O-N 3.22Å
688D87.7Confident88.8Confident73 Ų7345.9 Ų45.939%0.3925%0.25SC..  trans-78.790.3178.1-166.7-23.3000111.4S683 Q690 A691 T692S683-D688 PolarHBondContact O-N 2.95Å; D688-Q690 PolarHBondContact O-N 3.37Å; D688-Q690 WeakPolarHBondContact OD1-CA 3.47Å; D688-Q690 WeakPolarHBondContact OD1-CB 3.42Å; D688-Q690 PolarHBondContact OD1-N 2.84Å; D688-A691 HydrophobicContact CB-CB 4.01Å; D688-A691 VanDerWaalsContact CG-CB 3.42Å; D688-A691 PolarHBondContact OD1-N 3.15Å; D688-A691 WeakPolarHBondContact OD2-CB 3.42Å; D688-T692 WeakPolarHBondContact O-CB 3.43Å; D688-T692 PolarHBondContact O-N 3.36Å; D688-T692 PolarHBondContact O-OG1 3.17Å
689L84Confident88.5Confident84 Ų8445.9 Ų45.944%0.4425%0.25SC..Hα-helixtrans-68.4-18.7177.1-54.6-174.9000113.4N599 C602 G687 A693N599-L689 HydrophobicContact CB-CD1 4.23Å; C602-L689 HydrophobicContact CB-CD2 3.91Å; G687-L689 PolarHBondContact O-N 3.22Å; L689-A693 PolarHBondContact O-N 3.28Å
690Q87.3Confident88.2Confident133 Ų13346.1 Ų46.162%0.62125%0.25SC*.Hα-helixtrans-80.6-54.3176.3177.5174.1-24.800109.6D688 T692 A693 E694D688-Q690 PolarHBondContact O-N 3.37Å; D688-Q690 WeakPolarHBondContact OD1-CA 3.47Å; D688-Q690 WeakPolarHBondContact OD1-CB 3.42Å; D688-Q690 PolarHBondContact OD1-N 2.84Å; Q690-T692 VanDerWaalsContact C-N 3.26Å; Q690-T692 PolarHBondContact O-N 3.45Å; Q690-A693 WeakPolarHBondContact O-CA 3.49Å; Q690-A693 WeakPolarHBondContact O-CB 3.13Å; Q690-A693 PolarHBondContact O-N 3.45Å; Q690-E694 HydrophobicContact CG-CG 4.47Å; Q690-E694 VanDerWaalsContact CG-OE1 3.26Å; Q690-E694 WeakPolarHBondContact CG-OE1 3.41Å; Q690-E694 PolarHBondContact NE2-OE1 2.9Å; Q690-E694 WeakPolarHBondContact O-CG 3.26Å; Q690-E694 PolarHBondContact O-N 2.66Å
691A89.2Confident88Confident14 Ų1451.7 Ų51.712%0.11628%0.276CS..Hα-helixtrans-57.4-40176.200000111.5D688 A693 E694 Y695D688-A691 HydrophobicContact CB-CB 4.01Å; D688-A691 VanDerWaalsContact CG-CB 3.42Å; D688-A691 PolarHBondContact OD1-N 3.15Å; D688-A691 WeakPolarHBondContact OD2-CB 3.42Å; A691-A693 VanDerWaalsContact C-N 3.31Å; A691-A693 PolarHBondContact O-N 3.26Å; A691-E694 PolarHBondContact O-N 2.86Å; A691-Y695 HydrophobicContact CB-CD2 4.35Å; A691-Y695 HydrophobicContact CB-CE2 4.03Å; A691-Y695 WeakPolarHBondContact O-CD2 3.45Å; A691-Y695 PolarHBondContact O-N 3.33Å
692T87.2Confident87.9Confident1 Ų155.1 Ų55.11%0.00629%0.289CS..Hα-helixtrans-56.3-43.9173.6-56.20000112.2S683 I684 D688 Q690 S696S683-T692 VanDerWaalsContact CB-OG1 3.25Å; S683-T692 WeakPolarHBondContact CB-OG1 3.36Å; I684-T692 HydrophobicContact CD1-CG2 4Å; I684-T692 HydrophobicContact CG1-CG2 3.68Å; D688-T692 WeakPolarHBondContact O-CB 3.43Å; D688-T692 PolarHBondContact O-N 3.36Å; D688-T692 PolarHBondContact O-OG1 3.17Å; Q690-T692 VanDerWaalsContact C-N 3.26Å; Q690-T692 PolarHBondContact O-N 3.45Å; T692-S696 WeakPolarHBondContact O-CB 3.44Å; T692-S696 PolarHBondContact O-N 2.99Å
693A85.7Confident87.7Confident18 Ų1853.2 Ų53.215%0.14928%0.28CS..Hα-helixtrans-70.8-36.4177.600000112.4L689 Q690 A691 S696 C697L689-A693 PolarHBondContact O-N 3.28Å; Q690-A693 WeakPolarHBondContact O-CA 3.49Å; Q690-A693 WeakPolarHBondContact O-CB 3.13Å; Q690-A693 PolarHBondContact O-N 3.45Å; A691-A693 VanDerWaalsContact C-N 3.31Å; A691-A693 PolarHBondContact O-N 3.26Å; A693-S696 PolarHBondContact O-N 3.05Å; A693-C697 PolarHBondContact O-N 2.91Å; A693-C697 PolarHBondContact O-SG 2.86Å
694E90Very high87.5Confident109 Ų10954.9 Ų54.951%0.50929%0.291SS..Hα-helixtrans-66-45.2175.9-70.8174.1-17100111.9Q690 A691 S696 C697 S698Q690-E694 HydrophobicContact CG-CG 4.47Å; Q690-E694 VanDerWaalsContact CG-OE1 3.26Å; Q690-E694 WeakPolarHBondContact CG-OE1 3.41Å; Q690-E694 PolarHBondContact NE2-OE1 2.9Å; Q690-E694 WeakPolarHBondContact O-CG 3.26Å; Q690-E694 PolarHBondContact O-N 2.66Å; A691-E694 PolarHBondContact O-N 2.86Å; E694-S696 VanDerWaalsContact C-N 3.33Å; E694-S696 PolarHBondContact O-N 3.03Å; E694-C697 WeakPolarHBondContact O-CA 3.25Å; E694-C697 WeakPolarHBondContact O-CB 3.39Å; E694-C697 PolarHBondContact O-N 3.34Å; E694-C697 VanDerWaalsContact O-N 3.11Å; E694-S698 PolarHBondContact O-N 3.05Å
695Y90.3Very high87.5Confident88 Ų8857.7 Ų57.735%0.34530%0.304SS..Hα-helixtrans-65.6-34.8173.4-67.4-58.4000112.4A679 S683 A691 C697 S698 T699A679-Y695 HydrophobicContact CB-CD1 3.69Å; A679-Y695 HydrophobicContact CB-CD2 3.86Å; A679-Y695 HydrophobicContact CB-CE1 3.57Å; A679-Y695 HydrophobicContact CB-CE2 3.75Å; A679-Y695 HydrophobicContact CB-CG 3.85Å; S683-Y695 VanDerWaalsContact OG-CD2 3.31Å; S683-Y695 WeakPolarHBondContact OG-CD2 3.49Å; S683-Y695 VanDerWaalsContact OG-CE2 3.27Å; S683-Y695 WeakPolarHBondContact OG-CE2 3.45Å; A691-Y695 HydrophobicContact CB-CD2 4.35Å; A691-Y695 HydrophobicContact CB-CE2 4.03Å; A691-Y695 WeakPolarHBondContact O-CD2 3.45Å; A691-Y695 PolarHBondContact O-N 3.33Å; Y695-C697 VanDerWaalsContact C-N 3.32Å; Y695-C697 PolarHBondContact O-N 3.42Å; Y695-S698 PolarHBondContact O-N 3.36Å; Y695-T699 PolarHBondContact O-N 2.99Å; Y695-T699 PolarHBondContact O-OG1 3.46Å
696S88.2Confident87.6Confident3 Ų351.2 Ų51.22%0.02128%0.28CS..Hα-helixtrans-64-36.8170.9-166.70000112.2D605 T692 A693 E694 I700D605-S696 WeakPolarHBondContact O-CB 3.32Å; D605-S696 PolarHBondContact O-OG 2.81Å; T692-S696 WeakPolarHBondContact O-CB 3.44Å; T692-S696 PolarHBondContact O-N 2.99Å; A693-S696 PolarHBondContact O-N 3.05Å; E694-S696 VanDerWaalsContact C-N 3.33Å; E694-S696 PolarHBondContact O-N 3.03Å; S696-I700 WeakPolarHBondContact O-CD1 3.34Å; S696-I700 VanDerWaalsContact O-CG1 3.32Å; S696-I700 WeakPolarHBondContact O-CG1 3.18Å; S696-I700 PolarHBondContact O-N 2.93Å
697C86.6Confident87.7Confident47 Ų4747.4 Ų47.432%0.31825%0.254SS..Hα-helixtrans-65.4-44.8171.9-65.30000112.5A693 E694 Y695 I700 Q701 R738A693-C697 PolarHBondContact O-N 2.91Å; A693-C697 PolarHBondContact O-SG 2.86Å; E694-C697 WeakPolarHBondContact O-CA 3.25Å; E694-C697 WeakPolarHBondContact O-CB 3.39Å; E694-C697 PolarHBondContact O-N 3.34Å; E694-C697 VanDerWaalsContact O-N 3.11Å; Y695-C697 VanDerWaalsContact C-N 3.32Å; Y695-C697 PolarHBondContact O-N 3.42Å; C697-I700 PolarHBondContact O-N 3.31Å; C697-Q701 WeakPolarHBondContact O-CG 3.18Å; C697-Q701 PolarHBondContact O-N 3.15Å; C697-R738 PolarHBondContact SG-NH2 3.3Å
698S88.5Confident87.7Confident37 Ų3748.5 Ų48.526%0.25925%0.251SS..Hα-helixtrans-57.5-49.4175.7179.40000111.6S676 E694 Y695 I700 Q701 R702S676-S698 PolarHBondContact OG-OG 3Å; E694-S698 PolarHBondContact O-N 3.05Å; Y695-S698 PolarHBondContact O-N 3.36Å; S698-I700 VanDerWaalsContact C-N 3.32Å; S698-I700 PolarHBondContact O-N 3.2Å; S698-Q701 WeakPolarHBondContact O-CB 3.4Å; S698-Q701 PolarHBondContact O-N 3.25Å; S698-Q701 VanDerWaalsContact O-N 3.09Å; S698-R702 PolarHBondContact O-N 3.33Å
699T89.2Confident87.7Confident0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-59-41.5178.3-56.30000112.1V609 F612 I673 S676 Y695 R702 A703V609-T699 HydrophobicContact CB-CG2 4.5Å; V609-T699 HydrophobicContact CG1-CG2 4.25Å; V609-T699 HydrophobicContact CG2-CG2 4.18Å; F612-T699 HydrophobicContact CB-CG2 4.39Å; F612-T699 HydrophobicContact CD2-CG2 3.93Å; I673-T699 HydrophobicContact CG1-CG2 4.38Å; I673-T699 HydrophobicContact CG2-CG2 4.14Å; S676-T699 WeakPolarHBondContact CB-OG1 3.17Å; Y695-T699 PolarHBondContact O-N 2.99Å; Y695-T699 PolarHBondContact O-OG1 3.46Å; T699-R702 PolarHBondContact O-N 3.41Å; T699-A703 WeakPolarHBondContact O-CB 3.26Å; T699-A703 PolarHBondContact O-N 3.15Å
700I85.5Confident87.8Confident10 Ų1043.1 Ų43.15%0.05122%0.223CC..Hα-helixtrans-65.4-40.4176-67.8165.7000111.1F612 S696 C697 S698 A703 C704 F734F612-I700 HydrophobicContact CE2-CG1 4.38Å; S696-I700 WeakPolarHBondContact O-CD1 3.34Å; S696-I700 VanDerWaalsContact O-CG1 3.32Å; S696-I700 WeakPolarHBondContact O-CG1 3.18Å; S696-I700 PolarHBondContact O-N 2.93Å; C697-I700 PolarHBondContact O-N 3.31Å; S698-I700 VanDerWaalsContact C-N 3.32Å; S698-I700 PolarHBondContact O-N 3.2Å; I700-A703 PolarHBondContact O-N 2.93Å; I700-C704 PolarHBondContact O-N 2.78Å; I700-C704 PolarHBondContact O-SG 3.26Å; I700-C704 VanDerWaalsContact O-SG 3.33Å; I700-F734 HydrophobicContact CD1-CB 4.44Å; I700-F734 HydrophobicContact CD1-CD1 4.11Å; I700-F734 HydrophobicContact CG1-CB 4.44Å; I700-F734 HydrophobicContact CG1-CD1 3.93Å
701Q88Confident87.6Confident118 Ų11843.5 Ų43.555%0.55122%0.224SC*.Hα-helixtrans-63-46.2175.4-71.6171.8-59.700111.4C697 S698 A703 C704 E705C697-Q701 WeakPolarHBondContact O-CG 3.18Å; C697-Q701 PolarHBondContact O-N 3.15Å; S698-Q701 WeakPolarHBondContact O-CB 3.4Å; S698-Q701 PolarHBondContact O-N 3.25Å; S698-Q701 VanDerWaalsContact O-N 3.09Å; Q701-A703 VanDerWaalsContact C-N 3.33Å; Q701-A703 PolarHBondContact O-N 2.97Å; Q701-C704 PolarHBondContact O-N 2.88Å; Q701-E705 WeakPolarHBondContact O-CG 3.36Å; Q701-E705 PolarHBondContact O-N 3.49Å
702R90.1Very high87.3Confident72 Ų7248.2 Ų48.227%0.27225%0.247SC..Hα-helixtrans-64.7-32.4175.6-67.7-51.6-157.2-1493113.3D672 I673 S698 T699 E705 L706D672-R702 HydrophobicContact CB-CG 4.08Å; D672-R702 IonicContact OD2-CZ 3.45Å; D672-R702 VanDerWaalsContact OD2-CZ 3.27Å; D672-R702 IonicContact OD2-NE 2.71Å; D672-R702 PolarHBondContact OD2-NE 3.33Å; D672-R702 IonicContact OD2-NH2 2.71Å; D672-R702 PolarHBondContact OD2-NH2 3.35Å; I673-R702 HydrophobicContact CD1-CB 4.23Å; I673-R702 HydrophobicContact CG1-CB 3.75Å; S698-R702 PolarHBondContact O-N 3.33Å; T699-R702 PolarHBondContact O-N 3.41Å; R702-E705 WeakPolarHBondContact CD-OE2 3.27Å; R702-E705 IonicContact CZ-OE2 2.73Å; R702-E705 IonicContact NE-OE2 3.54Å; R702-E705 VanDerWaalsContact NH1-CD 3.34Å; R702-E705 IonicContact NH1-OE1 3.43Å; R702-E705 PolarHBondContact NH1-OE1 2.9Å; R702-E705 VanDerWaalsContact NH1-OE1 3.14Å; R702-E705 IonicContact NH1-OE2 3.58Å; R702-E705 PolarHBondContact NH1-OE2 3.44Å; R702-L706 VanDerWaalsContact O-CB 3.26Å; R702-L706 WeakPolarHBondContact O-CB 3.39Å; R702-L706 PolarHBondContact O-N 2.84Å
703A87.3Confident87Confident1 Ų150.9 Ų50.91%0.00826%0.259CS..Hα-helixtrans-68.5-39.7172.800000112F612 T699 I700 Q701 L706 C707 I731F612-A703 HydrophobicContact CD1-CB 4.44Å; F612-A703 HydrophobicContact CD2-CB 4.41Å; F612-A703 HydrophobicContact CE1-CB 3.98Å; F612-A703 HydrophobicContact CE2-CB 3.9Å; F612-A703 HydrophobicContact CZ-CB 3.68Å; T699-A703 WeakPolarHBondContact O-CB 3.26Å; T699-A703 PolarHBondContact O-N 3.15Å; I700-A703 PolarHBondContact O-N 2.93Å; Q701-A703 VanDerWaalsContact C-N 3.33Å; Q701-A703 PolarHBondContact O-N 2.97Å; A703-L706 WeakPolarHBondContact O-CB 3.22Å; A703-L706 PolarHBondContact O-N 3.24Å; A703-C707 PolarHBondContact O-N 2.91Å; A703-I731 HydrophobicContact CB-CD1 3.89Å; A703-I731 WeakPolarHBondContact O-CD1 3.35Å
704C86.2Confident86.2Confident43 Ų4359.2 Ų59.229%0.29129%0.292SS..Hα-helixtrans-64.9-45.6172.5-67.40000111.9I700 Q701 L706 C707 T708I700-C704 PolarHBondContact O-N 2.78Å; I700-C704 PolarHBondContact O-SG 3.26Å; I700-C704 VanDerWaalsContact O-SG 3.33Å; Q701-C704 PolarHBondContact O-N 2.88Å; C704-L706 VanDerWaalsContact C-N 3.3Å; C704-L706 PolarHBondContact O-N 2.9Å; C704-C707 PolarHBondContact O-N 3.29Å; C704-T708 PolarHBondContact O-N 2.74Å; C704-T708 PolarHBondContact O-OG1 3Å
705E89.6Confident85.5Confident79 Ų7959.2 Ų59.237%0.36929%0.292SS..Hα-helixtrans-59.2-40.2173.8-72.1172.6-17600111.9Q701 R702 T708 N709Q701-E705 WeakPolarHBondContact O-CG 3.36Å; Q701-E705 PolarHBondContact O-N 3.49Å; R702-E705 WeakPolarHBondContact CD-OE2 3.27Å; R702-E705 IonicContact CZ-OE2 2.73Å; R702-E705 IonicContact NE-OE2 3.54Å; R702-E705 VanDerWaalsContact NH1-CD 3.34Å; R702-E705 IonicContact NH1-OE1 3.43Å; R702-E705 PolarHBondContact NH1-OE1 2.9Å; R702-E705 VanDerWaalsContact NH1-OE1 3.14Å; R702-E705 IonicContact NH1-OE2 3.58Å; R702-E705 PolarHBondContact NH1-OE2 3.44Å; E705-T708 PolarHBondContact O-N 2.88Å; E705-N709 WeakPolarHBondContact O-CB 3.36Å; E705-N709 VanDerWaalsContact O-CG 3.31Å; E705-N709 PolarHBondContact O-N 3.04Å; E705-N709 PolarHBondContact O-ND2 3.44Å
706L89.5Confident84.7Confident0 Ų062.9 Ų62.90%031%0.312CS..Hα-helixtrans-59.4-51.8173.8174.158000111L616 I666 C669 F670 I673 R702 A703 C704 T708 N709 L710 L729L616-L706 HydrophobicContact CD2-CD2 3.95Å; I666-L706 HydrophobicContact CB-CD1 4.46Å; I666-L706 HydrophobicContact CG2-CD1 3.77Å; C669-L706 HydrophobicContact CB-CB 3.94Å; C669-L706 HydrophobicContact CB-CD1 4.17Å; F670-L706 HydrophobicContact CD1-CD1 4.17Å; F670-L706 HydrophobicContact CD1-CD2 4.08Å; F670-L706 HydrophobicContact CE1-CD1 3.79Å; F670-L706 HydrophobicContact CE1-CD2 3.89Å; I673-L706 HydrophobicContact CD1-CD2 4.24Å; R702-L706 VanDerWaalsContact O-CB 3.26Å; R702-L706 WeakPolarHBondContact O-CB 3.39Å; R702-L706 PolarHBondContact O-N 2.84Å; A703-L706 WeakPolarHBondContact O-CB 3.22Å; A703-L706 PolarHBondContact O-N 3.24Å; C704-L706 VanDerWaalsContact C-N 3.3Å; C704-L706 PolarHBondContact O-N 2.9Å; L706-T708 VanDerWaalsContact C-N 3.33Å; L706-T708 PolarHBondContact O-N 3.23Å; L706-N709 WeakPolarHBondContact O-CB 3.45Å; L706-N709 PolarHBondContact O-N 3.36Å; L706-N709 VanDerWaalsContact O-N 3.1Å; L706-L710 HydrophobicContact CD1-CD1 3.9Å; L706-L710 HydrophobicContact CD1-CD2 4.44Å; L706-L710 HydrophobicContact CD1-CG 4.01Å; L706-L710 HydrophobicContact CG-CD1 3.89Å; L706-L710 HydrophobicContact CG-CG 4.43Å; L706-L710 VanDerWaalsContact O-CG 3.24Å; L706-L710 WeakPolarHBondContact O-CG 3.34Å; L706-L710 PolarHBondContact O-N 2.95Å; L706-L729 HydrophobicContact CD2-CD1 3.73Å; L706-L729 HydrophobicContact CG-CD1 4.19Å
707C86.7Confident83.8Confident16 Ų1670.1 Ų70.111%0.10835%0.346CS..Hα-helixtrans-60.7-40.8177.6-720000112.4A703 C704 N709 L710 E711 L726 I731A703-C707 PolarHBondContact O-N 2.91Å; C704-C707 PolarHBondContact O-N 3.29Å; C707-N709 PolarHBondContact O-N 2.92Å; C707-L710 PolarHBondContact O-N 2.86Å; C707-E711 WeakPolarHBondContact O-CB 3.42Å; C707-E711 WeakPolarHBondContact O-CG 3.18Å; C707-E711 PolarHBondContact O-N 3.37Å; C707-L726 HydrophobicContact CB-CD2 3.86Å; C707-L726 VanDerWaalsContact SG-CD2 3.57Å; C707-I731 HydrophobicContact CB-CD1 4.23Å; C707-I731 WeakPolarHBondContact SG-CD1 3.47Å
708T86Confident83.4Confident72 Ų7268.2 Ų68.244%0.44233%0.333SS..Hα-helixtrans-61.9-40.6172.8-580000112.2C704 E705 L706 L710 E711 L712C704-T708 PolarHBondContact O-N 2.74Å; C704-T708 PolarHBondContact O-OG1 3Å; E705-T708 PolarHBondContact O-N 2.88Å; L706-T708 VanDerWaalsContact C-N 3.33Å; L706-T708 PolarHBondContact O-N 3.23Å; T708-L710 VanDerWaalsContact C-N 3.32Å; T708-L710 PolarHBondContact O-N 3.47Å; T708-E711 PolarHBondContact O-N 3.12Å; T708-L712 HydrophobicContact CG2-CD1 3.87Å; T708-L712 HydrophobicContact CG2-CG 4.39Å; T708-L712 VanDerWaalsContact O-CB 3.27Å; T708-L712 WeakPolarHBondContact O-CB 3.43Å; T708-L712 WeakPolarHBondContact O-CG 3.13Å; T708-L712 PolarHBondContact O-N 2.83Å
709N87.4Confident83Confident42 Ų4273.8 Ų73.823%0.22535%0.348CS..Hα-helixtrans-66.3-32.2175.5-77.1-44.3000112.7I666 E705 L706 C707I666-N709 HydrophobicContact CG1-CB 4.01Å; E705-N709 WeakPolarHBondContact O-CB 3.36Å; E705-N709 VanDerWaalsContact O-CG 3.31Å; E705-N709 PolarHBondContact O-N 3.04Å; E705-N709 PolarHBondContact O-ND2 3.44Å; L706-N709 WeakPolarHBondContact O-CB 3.45Å; L706-N709 PolarHBondContact O-N 3.36Å; L706-N709 VanDerWaalsContact O-N 3.1Å; C707-N709 PolarHBondContact O-N 2.92Å
710L86.5Confident82.7Confident3 Ų379.6 Ų79.62%0.01638%0.379CS..Hα-helixtrans-73.4-45.9175-66.1167.4000111.5L660 I666 L706 C707 T708 L712 Q713 T722 L725 L726 L729L660-L710 HydrophobicContact CD1-CD2 3.6Å; I666-L710 HydrophobicContact CD1-CD2 3.83Å; I666-L710 HydrophobicContact CG1-CD2 4.41Å; L706-L710 HydrophobicContact CD1-CD1 3.9Å; L706-L710 HydrophobicContact CD1-CD2 4.44Å; L706-L710 HydrophobicContact CD1-CG 4.01Å; L706-L710 HydrophobicContact CG-CD1 3.89Å; L706-L710 HydrophobicContact CG-CG 4.43Å; L706-L710 VanDerWaalsContact O-CG 3.24Å; L706-L710 WeakPolarHBondContact O-CG 3.34Å; L706-L710 PolarHBondContact O-N 2.95Å; C707-L710 PolarHBondContact O-N 2.86Å; T708-L710 VanDerWaalsContact C-N 3.32Å; T708-L710 PolarHBondContact O-N 3.47Å; L710-L712 PolarHBondContact O-N 3.13Å; L710-Q713 WeakPolarHBondContact O-CB 3.27Å; L710-Q713 PolarHBondContact O-N 3.48Å; L710-Q713 VanDerWaalsContact O-N 3.12Å; L710-T722 HydrophobicContact CD2-CG2 3.65Å; L710-L725 HydrophobicContact CD1-CB 4.43Å; L710-L725 HydrophobicContact CD1-CD2 3.74Å; L710-L725 HydrophobicContact CD1-CG 3.89Å; L710-L725 HydrophobicContact CD2-CD2 4.01Å; L710-L726 HydrophobicContact CB-CD1 4.14Å; L710-L726 HydrophobicContact CB-CD2 3.96Å; L710-L726 HydrophobicContact CB-CG 4.03Å; L710-L726 HydrophobicContact CD1-CD2 3.83Å; L710-L726 HydrophobicContact CD1-CG 4.03Å; L710-L729 HydrophobicContact CD1-CD1 4.21Å
711E82.5Confident82.6Confident141 Ų14179.6 Ų79.666%0.65938%0.379SS*.Hα-helixtrans-62.8-29.4175-72.9172.7178.600112.9C707 T708 Q713 L726C707-E711 WeakPolarHBondContact O-CB 3.42Å; C707-E711 WeakPolarHBondContact O-CG 3.18Å; C707-E711 PolarHBondContact O-N 3.37Å; T708-E711 PolarHBondContact O-N 3.12Å; E711-Q713 VanDerWaalsContact C-N 3.33Å; E711-L726 HydrophobicContact CG-CD1 4.45Å
712L82.7Confident82.3Confident113 Ų11374.2 Ų74.259%0.59235%0.354SS*.THydrogen-bonded Turntrans-81.2-6.8176.2-74.2172.9000114T708 L710T708-L712 HydrophobicContact CG2-CD1 3.87Å; T708-L712 HydrophobicContact CG2-CG 4.39Å; T708-L712 VanDerWaalsContact O-CB 3.27Å; T708-L712 WeakPolarHBondContact O-CB 3.43Å; T708-L712 WeakPolarHBondContact O-CG 3.13Å; T708-L712 PolarHBondContact O-N 2.83Å; L710-L712 PolarHBondContact O-N 3.13Å
713Q80.1Confident82Confident56 Ų5674.2 Ų74.226%0.26236%0.36SS..  trans-70.7133.6177-82.2-59.7-11.200112.2S663 I666 L710 E711 L718 T722S663-Q713 PolarHBondContact OG-NE2 2.75Å; I666-Q713 HydrophobicContact CD1-CG 4.09Å; L710-Q713 WeakPolarHBondContact O-CB 3.27Å; L710-Q713 PolarHBondContact O-N 3.48Å; L710-Q713 VanDerWaalsContact O-N 3.12Å; E711-Q713 VanDerWaalsContact C-N 3.33Å; Q713-L718 HydrophobicContact CG-CD1 4.27Å; Q713-T722 HydrophobicContact CB-CG2 4.22Å; Q713-T722 HydrophobicContact CG-CG2 4.35Å
714K69Low81.8Confident193 Ų19375.9 Ų75.984%0.83937%0.372SS*.  trans-116.5-8.3-175.4-62.9-178.8-175.8177.40113.3E716K714-E716 PolarHBondContact O-N 3.17Å
715E75.4Confident81.8Confident109 Ų10973.9 Ų73.951%0.50936%0.358SS..  trans-73.3108.6175.2-67.1175.8-169.200108.6E717 L718 R719E715-E717 PolarHBondContact O-N 3.38Å; E715-L718 HydrophobicContact CB-CB 4.26Å; E715-L718 HydrophobicContact CB-CD1 4.09Å; E715-L718 HydrophobicContact CB-CG 4.1Å; E715-L718 WeakPolarHBondContact O-CB 3.38Å; E715-L718 PolarHBondContact O-N 3.31Å; E715-L718 WeakPolarHBondContact OE2-CD1 3.19Å; E715-R719 PolarHBondContact O-N 2.92Å
716E74.8Confident81.5Confident165 Ų16572.3 Ų72.377%0.77135%0.352SS*.Hα-helixtrans-57.9-32-177.1-174.6166.3-155.700112.2K714 L718 R719K714-E716 PolarHBondContact O-N 3.17Å; E716-L718 PolarHBondContact O-N 2.99Å; E716-R719 VanDerWaalsContact O-CB 3.31Å; E716-R719 WeakPolarHBondContact O-CB 3.44Å; E716-R719 PolarHBondContact O-N 3.07Å
717E69.4Low81.1Confident156 Ų15676.5 Ų76.573%0.72939%0.387SS*.Hα-helixtrans-64.1-33.8174.2-66.1-177.4-171.100113.4F657 E715F657-E717 HydrophobicContact CE1-CB 3.94Å; F657-E717 HydrophobicContact CZ-CB 3.52Å; E715-E717 PolarHBondContact O-N 3.38Å
718L78.1Confident80.8Confident7 Ų778.9 Ų78.94%0.03739%0.393CS..Hα-helixtrans-76.5-23.8174.7-74179.9000112.5F657 L660 Q713 E715 E716 N720 N721 T722F657-L718 HydrophobicContact CD1-CD2 3.95Å; F657-L718 HydrophobicContact CD2-CD2 3.76Å; F657-L718 HydrophobicContact CD2-CG 4.45Å; F657-L718 HydrophobicContact CE1-CD2 3.63Å; F657-L718 HydrophobicContact CE1-CG 4.18Å; F657-L718 HydrophobicContact CE2-CD1 4.49Å; F657-L718 HydrophobicContact CE2-CD2 3.41Å; F657-L718 VanDerWaalsContact CE2-CD2 3.41Å; F657-L718 HydrophobicContact CE2-CG 3.65Å; F657-L718 HydrophobicContact CG-CD2 4.01Å; F657-L718 HydrophobicContact CZ-CB 4.3Å; F657-L718 HydrophobicContact CZ-CD2 3.34Å; F657-L718 HydrophobicContact CZ-CG 3.49Å; F657-L718 VanDerWaalsContact CZ-CG 3.49Å; L660-L718 HydrophobicContact CD2-CD2 3.77Å; Q713-L718 HydrophobicContact CG-CD1 4.27Å; E715-L718 HydrophobicContact CB-CB 4.26Å; E715-L718 HydrophobicContact CB-CD1 4.09Å; E715-L718 HydrophobicContact CB-CG 4.1Å; E715-L718 WeakPolarHBondContact O-CB 3.38Å; E715-L718 PolarHBondContact O-N 3.31Å; E715-L718 WeakPolarHBondContact OE2-CD1 3.19Å; E716-L718 PolarHBondContact O-N 2.99Å; L718-N720 VanDerWaalsContact C-N 3.35Å; L718-N720 PolarHBondContact O-N 3.37Å; L718-N721 WeakPolarHBondContact O-CA 3.15Å; L718-N721 WeakPolarHBondContact O-CB 3.33Å; L718-N721 PolarHBondContact O-N 2.91Å; L718-T722 HydrophobicContact CB-CG2 4.41Å; L718-T722 PolarHBondContact O-N 3.01Å
719R79.4Confident80.5Confident153 Ų15376 Ų7658%0.57738%0.375SS*.Hα-helixtrans-58.4-40.4-163.6-171.4176.7179.8166.86.1114.4E715 E716 N721 T722 D723E715-R719 PolarHBondContact O-N 2.92Å; E716-R719 VanDerWaalsContact O-CB 3.31Å; E716-R719 WeakPolarHBondContact O-CB 3.44Å; E716-R719 PolarHBondContact O-N 3.07Å; R719-N721 PolarHBondContact O-N 3.14Å; R719-T722 WeakPolarHBondContact CA-OG1 3.3Å; R719-T722 PolarHBondContact O-N 3.36Å; R719-T722 PolarHBondContact O-OG1 2.87Å; R719-D723 IonicContact NE-OD2 2.65Å; R719-D723 VanDerWaalsContact O-CB 3.3Å; R719-D723 WeakPolarHBondContact O-CB 3.24Å; R719-D723 PolarHBondContact O-N 2.85Å
720N81.9Confident79.6Confident123 Ų12376.2 Ų76.266%0.65838%0.376SS*.Hα-helixtrans-62.6-33.8177-65.8-59.8000112.1L718 S724L718-N720 VanDerWaalsContact C-N 3.35Å; L718-N720 PolarHBondContact O-N 3.37Å; N720-S724 WeakPolarHBondContact O-CB 3.22Å; N720-S724 PolarHBondContact O-N 3.45Å
721N83.7Confident78.6Confident10 Ų1077 Ų775%0.05338%0.38CS..Hα-helixtrans-79.1-36.7178.8-79.754.2000111.7E623 R658 L660 L718 R719 L725E623-N721 PolarHBondContact OE2-ND2 3.46Å; R658-N721 VanDerWaalsContact CA-ND2 3.3Å; R658-N721 WeakPolarHBondContact CA-ND2 3.2Å; R658-N721 WeakPolarHBondContact CB-ND2 3.26Å; R658-N721 PolarHBondContact O-ND2 3.04Å; L660-N721 HydrophobicContact CD2-CB 4.23Å; L718-N721 WeakPolarHBondContact O-CA 3.15Å; L718-N721 WeakPolarHBondContact O-CB 3.33Å; L718-N721 PolarHBondContact O-N 2.91Å; R719-N721 PolarHBondContact O-N 3.14Å; N721-L725 WeakPolarHBondContact O-CB 3.46Å; N721-L725 PolarHBondContact O-N 3.21Å; N721-L725 VanDerWaalsContact O-N 3.09Å
722T82.8Confident77.8Confident4 Ų474 Ų743%0.02538%0.375CS..Hα-helixtrans-66.3-44.1172.1600000111.5L660 L710 Q713 L718 R719 L725 L726L660-T722 HydrophobicContact CD2-CG2 4.49Å; L710-T722 HydrophobicContact CD2-CG2 3.65Å; Q713-T722 HydrophobicContact CB-CG2 4.22Å; Q713-T722 HydrophobicContact CG-CG2 4.35Å; L718-T722 HydrophobicContact CB-CG2 4.41Å; L718-T722 PolarHBondContact O-N 3.01Å; R719-T722 WeakPolarHBondContact CA-OG1 3.3Å; R719-T722 PolarHBondContact O-N 3.36Å; R719-T722 PolarHBondContact O-OG1 2.87Å; T722-L725 PolarHBondContact O-N 2.98Å; T722-L726 WeakPolarHBondContact O-CB 3.1Å; T722-L726 VanDerWaalsContact O-CG 3.28Å; T722-L726 WeakPolarHBondContact O-CG 3.31Å; T722-L726 PolarHBondContact O-N 3.15Å
723D82.2Confident76.6Confident73 Ų7376.7 Ų76.739%0.3938%0.377SS..Hα-helixtrans-67.6-38.3179.8-66.6-3.1000111R719 L725 A727R719-D723 IonicContact NE-OD2 2.65Å; R719-D723 VanDerWaalsContact O-CB 3.3Å; R719-D723 WeakPolarHBondContact O-CB 3.24Å; R719-D723 PolarHBondContact O-N 2.85Å; D723-L725 VanDerWaalsContact C-N 3.33Å; D723-L725 PolarHBondContact O-N 2.92Å; D723-A727 VanDerWaalsContact O-CB 3.31Å; D723-A727 WeakPolarHBondContact O-CB 3.42Å; D723-A727 PolarHBondContact O-N 3.19Å
724S83.4Confident75.6Confident36 Ų3674.2 Ų74.225%0.25237%0.366SS..Hα-helixtrans-59.6-39.4171176.30000112.7N720 R728N720-S724 WeakPolarHBondContact O-CB 3.22Å; N720-S724 PolarHBondContact O-N 3.45Å; S724-R728 WeakPolarHBondContact O-CD 3.37Å; S724-R728 WeakPolarHBondContact O-CG 3.38Å; S724-R728 PolarHBondContact O-NE 3.24Å
725L86.6Confident74.9Confident0 Ų069.4 Ų69.40%035%0.348CS..Hα-helixtrans-75.3-45.6177.7178.354.5000112.1L616 F619 L660 F670 L710 N721 T722 D723 A727 R728 L729L616-L725 HydrophobicContact CD2-CD1 3.83Å; F619-L725 HydrophobicContact CB-CD1 4.2Å; F619-L725 HydrophobicContact CD1-CD1 4Å; F619-L725 HydrophobicContact CD1-CD2 4.23Å; F619-L725 HydrophobicContact CD2-CB 4.12Å; F619-L725 HydrophobicContact CD2-CD1 4.27Å; F619-L725 HydrophobicContact CE1-CB 4.39Å; F619-L725 HydrophobicContact CE1-CD1 4.49Å; F619-L725 HydrophobicContact CE1-CD2 3.99Å; F619-L725 HydrophobicContact CE2-CB 3.86Å; F619-L725 HydrophobicContact CG-CB 4.49Å; F619-L725 HydrophobicContact CG-CD1 3.89Å; F619-L725 HydrophobicContact CZ-CB 4.01Å; F619-L725 HydrophobicContact CZ-CD2 4.33Å; L660-L725 HydrophobicContact CD1-CD2 3.73Å; F670-L725 HydrophobicContact CE1-CD2 3.88Å; F670-L725 HydrophobicContact CZ-CD2 3.79Å; L710-L725 HydrophobicContact CD1-CB 4.43Å; L710-L725 HydrophobicContact CD1-CD2 3.74Å; L710-L725 HydrophobicContact CD1-CG 3.89Å; L710-L725 HydrophobicContact CD2-CD2 4.01Å; N721-L725 WeakPolarHBondContact O-CB 3.46Å; N721-L725 PolarHBondContact O-N 3.21Å; N721-L725 VanDerWaalsContact O-N 3.09Å; T722-L725 PolarHBondContact O-N 2.98Å; D723-L725 VanDerWaalsContact C-N 3.33Å; D723-L725 PolarHBondContact O-N 2.92Å; L725-A727 PolarHBondContact O-N 3.28Å; L725-R728 WeakPolarHBondContact O-CB 3.23Å; L725-R728 PolarHBondContact O-N 3.02Å; L725-L729 HydrophobicContact CD1-CD1 3.92Å; L725-L729 HydrophobicContact CD1-CG 4.01Å; L725-L729 HydrophobicContact CG-CD1 3.88Å; L725-L729 HydrophobicContact CG-CG 4.41Å; L725-L729 WeakPolarHBondContact O-CG 3.31Å; L725-L729 PolarHBondContact O-N 3.1Å; L725-L729 VanDerWaalsContact O-N 3.07Å
726L83.7Confident73.7Confident46 Ų4666.9 Ų66.924%0.24135%0.347CS..Hα-helixtrans-56.4-39.3174.9-73.7171000111.6C707 L710 E711 T722 R728 L729C707-L726 HydrophobicContact CB-CD2 3.86Å; C707-L726 VanDerWaalsContact SG-CD2 3.57Å; L710-L726 HydrophobicContact CB-CD1 4.14Å; L710-L726 HydrophobicContact CB-CD2 3.96Å; L710-L726 HydrophobicContact CB-CG 4.03Å; L710-L726 HydrophobicContact CD1-CD2 3.83Å; L710-L726 HydrophobicContact CD1-CG 4.03Å; E711-L726 HydrophobicContact CG-CD1 4.45Å; T722-L726 WeakPolarHBondContact O-CB 3.1Å; T722-L726 VanDerWaalsContact O-CG 3.28Å; T722-L726 WeakPolarHBondContact O-CG 3.31Å; T722-L726 PolarHBondContact O-N 3.15Å; L726-R728 VanDerWaalsContact C-N 3.26Å; L726-R728 PolarHBondContact O-N 3.07Å; L726-L729 PolarHBondContact O-N 3.31Å
727A80.8Confident72.3Confident89 Ų8962.1 Ų62.174%0.73633%0.331SS*.THydrogen-bonded Turntrans-66.8-21.5176.400000114.4D723 L725D723-A727 VanDerWaalsContact O-CB 3.31Å; D723-A727 WeakPolarHBondContact O-CB 3.42Å; D723-A727 PolarHBondContact O-N 3.19Å; L725-A727 PolarHBondContact O-N 3.28Å
728R81.1Confident71.1Confident65 Ų6560 Ų6025%0.24532%0.317CS..THydrogen-bonded Turntrans-85.8-36.2173.9-64.5164.2-170.7-105.2-2.5111.9E622 S724 L725 L726 D730E622-R728 VanDerWaalsContact CD-NH1 3.28Å; E622-R728 IonicContact OE1-CZ 3.14Å; E622-R728 IonicContact OE1-NH1 3.99Å; E622-R728 PolarHBondContact OE1-NH1 3.36Å; E622-R728 IonicContact OE1-NH2 3.5Å; E622-R728 IonicContact OE2-CZ 2.73Å; E622-R728 IonicContact OE2-NH1 2.69Å; E622-R728 PolarHBondContact OE2-NH1 3.47Å; E622-R728 IonicContact OE2-NH2 3.27Å; E622-R728 PolarHBondContact OE2-NH2 2.58Å; S724-R728 WeakPolarHBondContact O-CD 3.37Å; S724-R728 WeakPolarHBondContact O-CG 3.38Å; S724-R728 PolarHBondContact O-NE 3.24Å; L725-R728 WeakPolarHBondContact O-CB 3.23Å; L725-R728 PolarHBondContact O-N 3.02Å; L726-R728 VanDerWaalsContact C-N 3.26Å; L726-R728 PolarHBondContact O-N 3.07Å; R728-D730 VanDerWaalsContact C-N 3.32Å; R728-D730 PolarHBondContact O-N 2.98Å
729L78.4Confident69.4Low11 Ų1165.5 Ų65.56%0.05835%0.35CS..  trans-7775.5-177-66.2174.2000111.8F612 L616 L706 L710 L725 L726 I731F612-L729 HydrophobicContact CD1-CD2 3.85Å; F612-L729 HydrophobicContact CE1-CD2 4.09Å; L616-L729 HydrophobicContact CD2-CD2 4.23Å; L706-L729 HydrophobicContact CD2-CD1 3.73Å; L706-L729 HydrophobicContact CG-CD1 4.19Å; L710-L729 HydrophobicContact CD1-CD1 4.21Å; L725-L729 HydrophobicContact CD1-CD1 3.92Å; L725-L729 HydrophobicContact CD1-CG 4.01Å; L725-L729 HydrophobicContact CG-CD1 3.88Å; L725-L729 HydrophobicContact CG-CG 4.41Å; L725-L729 WeakPolarHBondContact O-CG 3.31Å; L725-L729 PolarHBondContact O-N 3.1Å; L725-L729 VanDerWaalsContact O-N 3.07Å; L726-L729 PolarHBondContact O-N 3.31Å; L729-I731 HydrophobicContact CB-CG1 4.43Å; L729-I731 PolarHBondContact O-N 3.06Å
730D68.6Low67.3Low47 Ų4764 Ų6425%0.25136%0.358SS..  trans-69.469.2173.1-174.30.3000112.2R728 S732 R733 F734R728-D730 VanDerWaalsContact C-N 3.32Å; R728-D730 PolarHBondContact O-N 2.98Å; D730-S732 PolarHBondContact O-N 3.37Å; D730-S732 WeakPolarHBondContact OD1-CB 3.49Å; D730-S732 PolarHBondContact OD1-N 3.04Å; D730-S732 PolarHBondContact OD1-OG 2.8Å; D730-R733 IonicContact OD2-CZ 2.66Å; D730-R733 VanDerWaalsContact OD2-CZ 3.31Å; D730-R733 IonicContact OD2-NE 3.95Å; D730-R733 PolarHBondContact OD2-NE 3.09Å; D730-R733 IonicContact OD2-NH2 3Å; D730-R733 PolarHBondContact OD2-NH2 3.02Å; D730-F734 WeakPolarHBondContact O-CD2 3.4Å; D730-F734 WeakPolarHBondContact O-CE2 3.45Å
731I67Low64.9Low19 Ų1970 Ų7010%0.09738%0.378CS..THydrogen-bonded Turntrans-66-17.9175.3-62.1-167.5000111.4F612 A703 C707 L729 R733 F734 L735F612-I731 HydrophobicContact CE1-CG1 4.05Å; F612-I731 HydrophobicContact CZ-CG1 4.01Å; A703-I731 HydrophobicContact CB-CD1 3.89Å; A703-I731 WeakPolarHBondContact O-CD1 3.35Å; C707-I731 HydrophobicContact CB-CD1 4.23Å; C707-I731 WeakPolarHBondContact SG-CD1 3.47Å; L729-I731 HydrophobicContact CB-CG1 4.43Å; L729-I731 PolarHBondContact O-N 3.06Å; I731-R733 VanDerWaalsContact C-N 3.27Å; I731-R733 PolarHBondContact O-N 3.38Å; I731-F734 WeakPolarHBondContact O-CB 3.33Å; I731-F734 PolarHBondContact O-N 3.44Å; I731-L735 HydrophobicContact CG2-CD1 4.06Å; I731-L735 HydrophobicContact CG2-CG 3.99Å; I731-L735 PolarHBondContact O-N 3.18Å; I731-L735 VanDerWaalsContact O-N 3.09Å
732S63.8Low63.9Low79 Ų7973 Ų7355%0.55239%0.394SS*.Hα-helixtrans-56.2-39.7-176.482.30000112.7D730 F734 L735 A736D730-S732 PolarHBondContact O-N 3.37Å; D730-S732 WeakPolarHBondContact OD1-CB 3.49Å; D730-S732 PolarHBondContact OD1-N 3.04Å; D730-S732 PolarHBondContact OD1-OG 2.8Å; S732-F734 VanDerWaalsContact C-N 3.32Å; S732-F734 PolarHBondContact O-N 2.88Å; S732-L735 PolarHBondContact O-N 3.39Å; S732-A736 WeakPolarHBondContact O-CB 3.32Å; S732-A736 PolarHBondContact O-N 3.42Å
733R59.2Low62.9Low169 Ų16976.6 Ų76.664%0.63841%0.414SS*.Hα-helixtrans-65.5-32.7176.6-58.3-173.8-160.5-155.32.8113.2D730 I731 S737D730-R733 IonicContact OD2-CZ 2.66Å; D730-R733 VanDerWaalsContact OD2-CZ 3.31Å; D730-R733 IonicContact OD2-NE 3.95Å; D730-R733 PolarHBondContact OD2-NE 3.09Å; D730-R733 IonicContact OD2-NH2 3Å; D730-R733 PolarHBondContact OD2-NH2 3.02Å; I731-R733 VanDerWaalsContact C-N 3.27Å; I731-R733 PolarHBondContact O-N 3.38Å; R733-S737 PolarHBondContact O-N 2.74Å; R733-S737 VanDerWaalsContact O-N 3.14Å; R733-S737 PolarHBondContact O-OG 3.39Å
734F57.7Low61.9Low5 Ų576.8 Ų76.82%0.02242%0.415CS..Hα-helixtrans-79.9-31.4-176.8-58.5-107.2000111.5N608 F612 I700 D730 I731 S732 S737N608-F734 HydrophobicContact CB-CD1 4.03Å; N608-F734 HydrophobicContact CB-CE1 3.47Å; N608-F734 VanDerWaalsContact CB-CE1 3.47Å; N608-F734 HydrophobicContact CB-CZ 4.4Å; F612-F734 HydrophobicContact CD1-CZ 4.39Å; F612-F734 HydrophobicContact CD2-CD1 4.36Å; F612-F734 AromaticContact CD2-CE1 3.61Å; F612-F734 HydrophobicContact CD2-CE1 3.61Å; F612-F734 AromaticContact CD2-CZ 3.83Å; F612-F734 HydrophobicContact CD2-CZ 3.83Å; F612-F734 HydrophobicContact CE1-CE2 4.01Å; F612-F734 AromaticContact CE1-CZ 3.98Å; F612-F734 HydrophobicContact CE1-CZ 3.98Å; F612-F734 AromaticContact CE2-CD1 3.45Å; F612-F734 HydrophobicContact CE2-CD1 3.45Å; F612-F734 VanDerWaalsContact CE2-CD1 3.45Å; F612-F734 HydrophobicContact CE2-CD2 4.21Å; F612-F734 AromaticContact CE2-CE1 3.09Å; F612-F734 HydrophobicContact CE2-CE1 3.09Å; F612-F734 AromaticContact CE2-CE2 3.95Å; F612-F734 HydrophobicContact CE2-CE2 3.95Å; F612-F734 AromaticContact CE2-CG 3.99Å; F612-F734 HydrophobicContact CE2-CG 3.99Å; F612-F734 AromaticContact CE2-CZ 3.39Å; F612-F734 HydrophobicContact CE2-CZ 3.39Å; F612-F734 HydrophobicContact CG-CZ 4.32Å; F612-F734 AromaticContact CZ-CD1 3.87Å; F612-F734 HydrophobicContact CZ-CD1 3.87Å; F612-F734 AromaticContact CZ-CD2 3.75Å; F612-F734 HydrophobicContact CZ-CD2 3.75Å; F612-F734 AromaticContact CZ-CE1 3.61Å; F612-F734 HydrophobicContact CZ-CE1 3.61Å; F612-F734 AromaticContact CZ-CE2 3.54Å; F612-F734 HydrophobicContact CZ-CE2 3.54Å; F612-F734 AromaticContact CZ-CG 3.92Å; F612-F734 HydrophobicContact CZ-CG 3.92Å; F612-F734 AromaticContact CZ-CZ 3.46Å; F612-F734 HydrophobicContact CZ-CZ 3.46Å; F612-F734 VanDerWaalsContact CZ-CZ 3.46Å; I700-F734 HydrophobicContact CD1-CB 4.44Å; I700-F734 HydrophobicContact CD1-CD1 4.11Å; I700-F734 HydrophobicContact CG1-CB 4.44Å; I700-F734 HydrophobicContact CG1-CD1 3.93Å; D730-F734 WeakPolarHBondContact O-CD2 3.4Å; D730-F734 WeakPolarHBondContact O-CE2 3.45Å; I731-F734 WeakPolarHBondContact O-CB 3.33Å; I731-F734 PolarHBondContact O-N 3.44Å; S732-F734 VanDerWaalsContact C-N 3.32Å; S732-F734 PolarHBondContact O-N 2.88Å; F734-S737 PolarHBondContact O-OG 3.45Å; F734-S737 VanDerWaalsContact O-OG 3.09Å
735L55.1Low60.6Low91 Ų9179.2 Ų79.248%0.47643%0.425SS..Hα-helixtrans-73.7-44.1169.7-64.3174.1000110.9I731 S732 S737 R738 V739I731-L735 HydrophobicContact CG2-CD1 4.06Å; I731-L735 HydrophobicContact CG2-CG 3.99Å; I731-L735 PolarHBondContact O-N 3.18Å; I731-L735 VanDerWaalsContact O-N 3.09Å; S732-L735 PolarHBondContact O-N 3.39Å; L735-S737 VanDerWaalsContact C-N 3.29Å; L735-S737 PolarHBondContact O-N 3.03Å; L735-R738 PolarHBondContact O-N 3.29Å; L735-V739 WeakPolarHBondContact O-CG2 3.3Å; L735-V739 PolarHBondContact O-N 3.46Å; L735-V739 VanDerWaalsContact O-N 3.1Å
736A49.9Very low59Low57 Ų5784.2 Ų84.247%0.47145%0.451SS..Hα-helixtrans-57-39.8177.300000112.9S732 R738 V739S732-A736 WeakPolarHBondContact O-CB 3.32Å; S732-A736 PolarHBondContact O-N 3.42Å; A736-R738 PolarHBondContact O-N 3.21Å; A736-V739 PolarHBondContact O-N 3.36Å
737S44.6Very low57.3Low64 Ų6486.7 Ų86.745%0.44847%0.465SS..Hα-helixtrans-69.7-9.1176.869.40000114.8R733 F734 L735R733-S737 PolarHBondContact O-N 2.74Å; R733-S737 VanDerWaalsContact O-N 3.14Å; R733-S737 PolarHBondContact O-OG 3.39Å; F734-S737 PolarHBondContact O-OG 3.45Å; F734-S737 VanDerWaalsContact O-OG 3.09Å; L735-S737 VanDerWaalsContact C-N 3.29Å; L735-S737 PolarHBondContact O-N 3.03Å
738R45Very low55.7Low112 Ų11286.6 Ų86.642%0.42345%0.446SS..Hα-helixtrans-104.9-22.3175-68.7-176.5173.5-139.3-8.2114.1C697 L735 A736 V740C697-R738 PolarHBondContact SG-NH2 3.3Å; L735-R738 PolarHBondContact O-N 3.29Å; A736-R738 PolarHBondContact O-N 3.21Å; R738-V740 VanDerWaalsContact C-N 3.27Å
739V42Very low53.7Low123 Ų12388.2 Ų88.275%0.74546%0.461SS*.Hα-helixtrans-75-17.8174.4174.90000111.8L735 A736 K741L735-V739 WeakPolarHBondContact O-CG2 3.3Å; L735-V739 PolarHBondContact O-N 3.46Å; L735-V739 VanDerWaalsContact O-N 3.1Å; A736-V739 PolarHBondContact O-N 3.36Å; V739-K741 PolarHBondContact O-N 3.34Å
740V36.3Very low51.7Low121 Ų12194.7 Ų94.773%0.73350%0.495SS*.  trans-96.572.1172.7-170.10000110.6R738R738-V740 VanDerWaalsContact C-N 3.27Å
741K30.6Very low50.1Low249 Ų24999 Ų99100%1.08352%0.517SS*.  trans-148.60168.6-87.7-162.6173.7-175.40111.9V739V739-K741 PolarHBondContact O-N 3.34Å

Retrieved 741 of 741 residues in 310.7 ms (Link to these results)

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