A0A096N8D6_PAPAN Loading...

Angiotensin II receptor associated protein

AlphaFold DB , UniProt , Accession A0A096N8D6, Species PAPAN (Papio anubis, Olive baboon), Gene AGTRAP, Length 159 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
1M35Very low66.8Low237 Ų23799.4 Ų99.4100%1.16755%0.545SS*.  0113.80-69-172.2-178.700106.5L3M1-L3 PolarHBondContact O-N 3.49Å
2E43.1Very low68.8Low201 Ų20192.5 Ų92.594%0.93951%0.507SS*.  trans-73.4104.3176.6-62.217713800107
3L47.6Very low70.6Confident96 Ų9694.2 Ų94.250%0.50351%0.514SS..  trans-68131.5173.5-75.8155.7000107M1 A5M1-L3 PolarHBondContact O-N 3.49Å; L3-A5 PolarHBondContact O-N 2.97Å
4P50.6Low72.2Confident101 Ų10188.9 Ų88.966%0.65649%0.492SS*.  trans-57.7133.7-179.724.4-32.4000108.5V6P4-V6 VanDerWaalsContact C-N 3.28Å; P4-V6 WeakPolarHBondContact O-CG2 3.4Å; P4-V6 PolarHBondContact O-N 3.28Å
5A56.9Low73.5Confident100 Ų10083.5 Ų83.583%0.82646%0.462SS*.  trans-61.388.7179.900000110.2L3 N7L3-A5 PolarHBondContact O-N 2.97Å; A5-N7 PolarHBondContact O-N 3.19Å
6V64.6Low74.9Confident51 Ų5186.3 Ų86.331%0.30946%0.463SS..  trans-67.3121.8175.7-177.40000107.1P4 L8 I11 F105P4-V6 VanDerWaalsContact C-N 3.28Å; P4-V6 WeakPolarHBondContact O-CG2 3.4Å; P4-V6 PolarHBondContact O-N 3.28Å; V6-L8 PolarHBondContact O-N 3.19Å; V6-I11 HydrophobicContact CG1-CD1 4.09Å; V6-I11 HydrophobicContact CG1-CG1 3.9Å; V6-F105 HydrophobicContact CB-CD1 4.48Å; V6-F105 HydrophobicContact CG2-CD1 4.11Å; V6-F105 HydrophobicContact CG2-CE1 3.85Å; V6-F105 HydrophobicContact CG2-CZ 4.22Å
7N82.3Confident76Confident84 Ų8485 Ų8545%0.44946%0.456SS..  trans-63.9125.2179.3-109.8-76.7000109.8A5 K9 V10 I11 R48A5-N7 PolarHBondContact O-N 3.19Å; N7-K9 PolarHBondContact O-N 2.85Å; N7-V10 HydrophobicContact CB-CG2 4.01Å; N7-V10 WeakPolarHBondContact O-CB 3.11Å; N7-V10 PolarHBondContact O-N 3.11Å; N7-I11 PolarHBondContact O-N 3.14Å; N7-R48 PolarHBondContact OD1-NH2 3.46Å
8L84.4Confident76.8Confident5 Ų581.6 Ų81.63%0.02644%0.437CS..Hα-helixtrans-48.4-34.5175.1-153.888.9000112V6 V10 I11 L12 A44 V45 F57 V106 M109V6-L8 PolarHBondContact O-N 3.19Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 2.75Å; L8-I11 WeakPolarHBondContact O-CB 3.4Å; L8-I11 PolarHBondContact O-N 2.79Å; L8-L12 HydrophobicContact CD2-CD1 4.17Å; L8-L12 HydrophobicContact CG-CD1 4.29Å; L8-L12 PolarHBondContact O-N 3.07Å; L8-A44 HydrophobicContact CD2-CB 3.89Å; L8-V45 HydrophobicContact CB-CG2 4.11Å; L8-V45 HydrophobicContact CD2-CB 4.41Å; L8-V45 HydrophobicContact CD2-CG2 3.46Å; L8-V45 VanDerWaalsContact CD2-CG2 3.46Å; L8-V45 HydrophobicContact CG-CG2 4.17Å; L8-F57 HydrophobicContact CD1-CE1 4.47Å; L8-V106 HydrophobicContact CD1-CG2 4.03Å; L8-M109 HydrophobicContact CB-CE 4.48Å; L8-M109 HydrophobicContact CD1-CE 4.15Å; L8-M109 HydrophobicContact CD1-SD 3.67Å
9K89.8Confident77.6Confident113 Ų11377.3 Ų77.349%0.49141%0.414SS..Hα-helixtrans-57-41.7175.4-64.7179.8175.5-177.70113.2N7 L12 L13 V45N7-K9 PolarHBondContact O-N 2.85Å; K9-L12 PolarHBondContact O-N 3.3Å; K9-L13 WeakPolarHBondContact O-CG 3.45Å; K9-L13 PolarHBondContact O-N 2.81Å; K9-V45 HydrophobicContact CD-CG1 4.48Å; K9-V45 HydrophobicContact CG-CG1 3.87Å; K9-V45 HydrophobicContact CG-CG2 4.28Å
10V90.1Very high78.3Confident93 Ų9376 Ų7656%0.56441%0.409SS*.Hα-helixtrans-68.8-42.2-179.5179.80000110N7 L8 L12 L13 G14N7-V10 HydrophobicContact CB-CG2 4.01Å; N7-V10 WeakPolarHBondContact O-CB 3.11Å; N7-V10 PolarHBondContact O-N 3.11Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 2.75Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.15Å; V10-L13 PolarHBondContact O-N 3.34Å; V10-G14 PolarHBondContact O-N 3.26Å
11I90.4Very high78.9Confident12 Ų1276.9 Ų76.96%0.06241%0.407CS..Hα-helixtrans-58.8-49.1175.4-60.5174.6000109.7V6 N7 L8 L13 G14 H15 S102 F105V6-I11 HydrophobicContact CG1-CD1 4.09Å; V6-I11 HydrophobicContact CG1-CG1 3.9Å; N7-I11 PolarHBondContact O-N 3.14Å; L8-I11 WeakPolarHBondContact O-CB 3.4Å; L8-I11 PolarHBondContact O-N 2.79Å; I11-L13 PolarHBondContact O-N 3.27Å; I11-G14 PolarHBondContact O-N 3.1Å; I11-H15 PolarHBondContact O-N 2.96Å; I11-H15 PolarHBondContact O-ND1 3.01Å; I11-S102 WeakPolarHBondContact CG2-OG 3.14Å; I11-F105 HydrophobicContact CD1-CB 3.86Å; I11-F105 HydrophobicContact CD1-CG 4.44Å
12L91Very high81.4Confident17 Ų1765.6 Ų65.69%0.08935%0.351CS..Hα-helixtrans-58.5-47.3177.2-98.4136000113.2L8 K9 V10 G14 H15 W16 L38 G41 V42 V45L8-L12 HydrophobicContact CD2-CD1 4.17Å; L8-L12 HydrophobicContact CG-CD1 4.29Å; L8-L12 PolarHBondContact O-N 3.07Å; K9-L12 PolarHBondContact O-N 3.3Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.15Å; L12-G14 VanDerWaalsContact C-N 3.32Å; L12-G14 PolarHBondContact O-N 3.15Å; L12-H15 PolarHBondContact O-N 3.34Å; L12-W16 WeakPolarHBondContact O-CB 3.45Å; L12-W16 PolarHBondContact O-N 3.24Å; L12-L38 HydrophobicContact CD2-CD2 3.91Å; L12-L38 WeakPolarHBondContact CD2-O 3.5Å; L12-G41 VanDerWaalsContact CD1-C 3.45Å; L12-G41 WeakPolarHBondContact CD1-O 3.27Å; L12-V42 HydrophobicContact CD2-CG2 3.92Å; L12-V45 HydrophobicContact CD1-CG2 3.35Å
13L92.1Very high83.5Confident115 Ų11557.5 Ų57.560%0.60232%0.317SS*.Hα-helixtrans-61.6-41.5177.6-76.4172.8000111.8K9 V10 I11 W16 L17K9-L13 WeakPolarHBondContact O-CG 3.45Å; K9-L13 PolarHBondContact O-N 2.81Å; V10-L13 PolarHBondContact O-N 3.34Å; I11-L13 PolarHBondContact O-N 3.27Å; L13-W16 PolarHBondContact O-N 3.16Å; L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 PolarHBondContact O-N 2.84Å
14G92.4Very high85.4Confident20 Ų2057.3 Ų57.321%0.20632%0.315CS..Hα-helixtrans-58.6-51.717400000111.9V10 I11 L12 W16 L17 L18V10-G14 PolarHBondContact O-N 3.26Å; I11-G14 PolarHBondContact O-N 3.1Å; L12-G14 VanDerWaalsContact C-N 3.32Å; L12-G14 PolarHBondContact O-N 3.15Å; G14-W16 VanDerWaalsContact C-N 3.33Å; G14-W16 PolarHBondContact O-N 3.39Å; G14-L17 PolarHBondContact O-N 2.91Å; G14-L18 WeakPolarHBondContact O-CD1 3.48Å; G14-L18 PolarHBondContact O-N 2.92Å
15H93Very high87Confident8 Ų854.3 Ų54.34%0.03730%0.295CS..Hα-helixtrans-63.6-39.3179.8-7369.9000112.2I11 L12 T19 L38 S102I11-H15 PolarHBondContact O-N 2.96Å; I11-H15 PolarHBondContact O-ND1 3.01Å; L12-H15 PolarHBondContact O-N 3.34Å; H15-T19 WeakPolarHBondContact O-CB 3.29Å; H15-T19 PolarHBondContact O-N 3.12Å; H15-T19 PolarHBondContact O-OG1 3.28Å; H15-L38 HydrophobicContact CB-CD2 3.64Å; H15-S102 PolarHBondContact CE1-OG 2.94Å; H15-S102 PolarHBondContact NE2-OG 3.09Å
16W94.7Very high88.2Confident127 Ų12750.2 Ų50.248%0.48126%0.259SS..Hα-helixtrans-61.7-46.6176.7173.482.3000111.9L12 L13 G14 T19 T20 F35 L38L12-W16 WeakPolarHBondContact O-CB 3.45Å; L12-W16 PolarHBondContact O-N 3.24Å; L13-W16 PolarHBondContact O-N 3.16Å; G14-W16 VanDerWaalsContact C-N 3.33Å; G14-W16 PolarHBondContact O-N 3.39Å; W16-T19 PolarHBondContact O-N 3.32Å; W16-T20 WeakPolarHBondContact O-CB 3.37Å; W16-T20 PolarHBondContact O-N 3.2Å; W16-T20 PolarHBondContact O-OG1 3.48Å; W16-F35 AromaticContact CD1-CE1 3.98Å; W16-L38 HydrophobicContact CB-CD1 4.01Å; W16-L38 HydrophobicContact CB-CD2 4.3Å
17L94.3Very high88.9Confident65 Ų6552.2 Ų52.234%0.3428%0.275SS..Hα-helixtrans-62.8-50179.6-170.989.5000110.9L13 G14 T19 T20 W21L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 PolarHBondContact O-N 2.84Å; G14-L17 PolarHBondContact O-N 2.91Å; L17-T19 PolarHBondContact O-N 2.95Å; L17-T20 PolarHBondContact O-N 3.43Å; L17-W21 HydrophobicContact CD1-CH2 3.9Å; L17-W21 HydrophobicContact CD1-CZ2 3.84Å; L17-W21 HydrophobicContact CD1-CZ3 4.4Å; L17-W21 HydrophobicContact CD2-CE3 4.09Å; L17-W21 HydrophobicContact CD2-CH2 3.28Å; L17-W21 HydrophobicContact CD2-CZ2 4.09Å; L17-W21 HydrophobicContact CD2-CZ3 3.26Å; L17-W21 HydrophobicContact CG-CD2 4.27Å; L17-W21 HydrophobicContact CG-CE3 3.89Å; L17-W21 HydrophobicContact CG-CH2 3.52Å; L17-W21 HydrophobicContact CG-CZ2 3.84Å; L17-W21 HydrophobicContact CG-CZ3 3.53Å; L17-W21 PolarHBondContact O-N 3.09Å; L17-W21 VanDerWaalsContact O-N 3.11Å
18L90.8Very high89.2Confident23 Ų2349.7 Ų49.712%0.1227%0.269CS..Hα-helixtrans-65.1-39.7-180-84.678.7000111.9G14 W21 G22 M91 L94 L98G14-L18 WeakPolarHBondContact O-CD1 3.48Å; G14-L18 PolarHBondContact O-N 2.92Å; L18-W21 PolarHBondContact O-N 2.95Å; L18-G22 PolarHBondContact O-N 3.3Å; L18-M91 HydrophobicContact CD1-CE 4.42Å; L18-M91 HydrophobicContact CD2-CE 4.38Å; L18-M91 HydrophobicContact CG-CE 3.8Å; L18-L94 HydrophobicContact CD2-CB 3.66Å; L18-L98 HydrophobicContact CD2-CD2 4.34Å
19T91.3Very high89.3Confident1 Ų153.4 Ų53.41%0.00629%0.293CS..Hα-helixtrans-63.3-46175.3-61.10000110.8H15 W16 L17 W21 G22 C23 Y30 N34 F35H15-T19 WeakPolarHBondContact O-CB 3.29Å; H15-T19 PolarHBondContact O-N 3.12Å; H15-T19 PolarHBondContact O-OG1 3.28Å; W16-T19 PolarHBondContact O-N 3.32Å; L17-T19 PolarHBondContact O-N 2.95Å; T19-W21 VanDerWaalsContact C-N 3.28Å; T19-W21 PolarHBondContact O-N 3.4Å; T19-G22 PolarHBondContact O-N 3.21Å; T19-G22 VanDerWaalsContact O-N 3.09Å; T19-C23 PolarHBondContact O-N 3.01Å; T19-C23 PolarHBondContact O-SG 3.36Å; T19-Y30 HydrophobicContact CG2-CE1 4.39Å; T19-N34 HydrophobicContact CG2-CB 3.41Å; T19-N34 VanDerWaalsContact CG2-CB 3.41Å; T19-F35 HydrophobicContact CG2-CE1 4.31Å; T19-F35 HydrophobicContact CG2-CE2 4.23Å; T19-F35 HydrophobicContact CG2-CZ 4.08Å
20T91.6Very high89.3Confident51 Ų5148 Ų4831%0.31327%0.27SS..Hα-helixtrans-57.9-42.4179.4-59.70000111.4W16 L17 C23W16-T20 WeakPolarHBondContact O-CB 3.37Å; W16-T20 PolarHBondContact O-N 3.2Å; W16-T20 PolarHBondContact O-OG1 3.48Å; L17-T20 PolarHBondContact O-N 3.43Å; T20-C23 PolarHBondContact O-N 3.38Å
21W91.1Very high89.3Confident94 Ų9444.5 Ų44.536%0.35625%0.25SS..Hα-helixtrans-74.2-33.2175.3-64.2-34.6000113.5L17 L18 T19 C23 I24 F87 G88 M91L17-W21 HydrophobicContact CD1-CH2 3.9Å; L17-W21 HydrophobicContact CD1-CZ2 3.84Å; L17-W21 HydrophobicContact CD1-CZ3 4.4Å; L17-W21 HydrophobicContact CD2-CE3 4.09Å; L17-W21 HydrophobicContact CD2-CH2 3.28Å; L17-W21 HydrophobicContact CD2-CZ2 4.09Å; L17-W21 HydrophobicContact CD2-CZ3 3.26Å; L17-W21 HydrophobicContact CG-CD2 4.27Å; L17-W21 HydrophobicContact CG-CE3 3.89Å; L17-W21 HydrophobicContact CG-CH2 3.52Å; L17-W21 HydrophobicContact CG-CZ2 3.84Å; L17-W21 HydrophobicContact CG-CZ3 3.53Å; L17-W21 PolarHBondContact O-N 3.09Å; L17-W21 VanDerWaalsContact O-N 3.11Å; L18-W21 PolarHBondContact O-N 2.95Å; T19-W21 VanDerWaalsContact C-N 3.28Å; T19-W21 PolarHBondContact O-N 3.4Å; W21-C23 VanDerWaalsContact C-N 3.28Å; W21-C23 PolarHBondContact O-N 3.48Å; W21-I24 HydrophobicContact CB-CD1 4.5Å; W21-I24 VanDerWaalsContact O-CB 3.31Å; W21-I24 WeakPolarHBondContact O-CB 3.41Å; W21-I24 WeakPolarHBondContact O-CG1 3.47Å; W21-I24 PolarHBondContact O-N 3.3Å; W21-F87 HydrophobicContact CB-CE1 4.29Å; W21-F87 HydrophobicContact CG-CE1 4.25Å; W21-G88 WeakPolarHBondContact O-CA 3.36Å; W21-M91 HydrophobicContact CB-CB 3.72Å; W21-M91 HydrophobicContact CB-CG 3.65Å; W21-M91 HydrophobicContact CE3-CE 3.4Å; W21-M91 VanDerWaalsContact CE3-CE 3.4Å; W21-M91 HydrophobicContact CE3-CG 4.11Å; W21-M91 HydrophobicContact CE3-SD 4.26Å; W21-M91 HydrophobicContact CG-CG 4.4Å; W21-M91 HydrophobicContact CZ3-CE 3.72Å
22G86.9Confident89.4Confident0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-62.2-35171.600000112.9L18 T19 I24 V25 F26L18-G22 PolarHBondContact O-N 3.3Å; T19-G22 PolarHBondContact O-N 3.21Å; T19-G22 VanDerWaalsContact O-N 3.09Å; G22-I24 PolarHBondContact O-N 3.3Å; G22-I24 VanDerWaalsContact O-N 3.15Å; G22-V25 PolarHBondContact O-N 3.45Å; G22-F26 PolarHBondContact O-N 2.97Å
23C88.7Confident89.4Confident31 Ų3152.9 Ų52.921%0.20928%0.282CS..THydrogen-bonded Turntrans-64.7-14.5177.7-70.70000114.3T19 T20 W21 V25 F26 A31T19-C23 PolarHBondContact O-N 3.01Å; T19-C23 PolarHBondContact O-SG 3.36Å; T20-C23 PolarHBondContact O-N 3.38Å; W21-C23 VanDerWaalsContact C-N 3.28Å; W21-C23 PolarHBondContact O-N 3.48Å; C23-V25 PolarHBondContact O-N 3.35Å; C23-F26 WeakPolarHBondContact CA-O 3.3Å; C23-A31 VanDerWaalsContact SG-CB 3.6Å
24I86.1Confident89.4Confident92 Ų9247.6 Ų47.647%0.47225%0.254SS..THydrogen-bonded Turntrans-61.1-30.2171.7-61.4172.5000110.5W21 G22 T84W21-I24 HydrophobicContact CB-CD1 4.5Å; W21-I24 VanDerWaalsContact O-CB 3.31Å; W21-I24 WeakPolarHBondContact O-CB 3.41Å; W21-I24 WeakPolarHBondContact O-CG1 3.47Å; W21-I24 PolarHBondContact O-N 3.3Å; G22-I24 PolarHBondContact O-N 3.3Å; G22-I24 VanDerWaalsContact O-N 3.15Å; I24-T84 HydrophobicContact CG2-CG2 3.72Å
25V84.3Confident89.5Confident39 Ų3950.6 Ų50.624%0.23626%0.262CS..THydrogen-bonded Turntrans-113.3-44-176176.20000111.9G22 C23 P77 G85G22-V25 PolarHBondContact O-N 3.45Å; C23-V25 PolarHBondContact O-N 3.35Å; V25-P77 HydrophobicContact CG1-CG 4.45Å; V25-G85 WeakPolarHBondContact CG2-O 3.41Å
26F82.1Confident89.5Confident14 Ų1453.9 Ų53.96%0.06128%0.283CS..SBendtrans-110.193.2-177-57.2-64.3000109.4G22 C23 Y30 I72 F75 Y76 A89 A92G22-F26 PolarHBondContact O-N 2.97Å; C23-F26 WeakPolarHBondContact CA-O 3.3Å; F26-Y30 HydrophobicContact CB-CD1 3.94Å; F26-Y30 HydrophobicContact CB-CG 3.94Å; F26-Y30 WeakPolarHBondContact O-CD1 3.45Å; F26-I72 HydrophobicContact CE2-CG1 4.44Å; F26-F75 HydrophobicContact CD1-CB 4.32Å; F26-F75 HydrophobicContact CE1-CB 4.24Å; F26-Y76 HydrophobicContact CZ-CD2 4.37Å; F26-A89 HydrophobicContact CE2-CB 4.12Å; F26-A89 HydrophobicContact CZ-CB 4.39Å; F26-A92 HydrophobicContact CD2-CB 3.64Å; F26-A92 HydrophobicContact CE2-CB 3.85Å
27S80.7Confident89.5Confident92 Ų9248.3 Ų48.364%0.64326%0.263SS*.  trans-98.2178.1176.770.40000111.8P29S27-P29 WeakPolarHBondContact O-CD 3.43Å
28G87.3Confident89.5Confident32 Ų3245.8 Ų45.833%0.3325%0.25SC..THydrogen-bonded Turntrans76.1-121.5177.400000112.5Y30 A31 W32G28-Y30 VanDerWaalsContact C-N 3.31Å; G28-Y30 PolarHBondContact O-N 3.29Å; G28-A31 WeakPolarHBondContact O-CB 3.27Å; G28-A31 PolarHBondContact O-N 3.44Å; G28-A31 VanDerWaalsContact O-N 3.1Å; G28-W32 PolarHBondContact O-N 3.49Å
29P87.5Confident89.6Confident82 Ų8247.6 Ų47.653%0.53227%0.268SS..Hα-helixtrans-66.4-30.5-168.8-6.317.2000113.6S27 W32 A33 H71S27-P29 WeakPolarHBondContact O-CD 3.43Å; P29-W32 PolarHBondContact O-N 2.74Å; P29-A33 VanDerWaalsContact O-CB 3.31Å; P29-A33 WeakPolarHBondContact O-CB 3.28Å; P29-A33 PolarHBondContact O-N 2.83Å; P29-H71 WeakPolarHBondContact CB-NE2 3.23Å
30Y88.4Confident89.7Confident1 Ų149.7 Ų49.70%0.00428%0.279CS..Hα-helixtrans-58.7-48.5171.1173.2-92.7000111.3T19 F26 G28 A33 N34 D68T19-Y30 HydrophobicContact CG2-CE1 4.39Å; F26-Y30 HydrophobicContact CB-CD1 3.94Å; F26-Y30 HydrophobicContact CB-CG 3.94Å; F26-Y30 WeakPolarHBondContact O-CD1 3.45Å; G28-Y30 VanDerWaalsContact C-N 3.31Å; G28-Y30 PolarHBondContact O-N 3.29Å; Y30-A33 PolarHBondContact O-N 3.48Å; Y30-N34 VanDerWaalsContact CD2-ND2 3.34Å; Y30-N34 WeakPolarHBondContact CD2-ND2 3.34Å; Y30-N34 WeakPolarHBondContact CE2-ND2 3.49Å; Y30-N34 WeakPolarHBondContact O-CB 3.4Å; Y30-N34 PolarHBondContact O-N 2.8Å; Y30-N34 PolarHBondContact O-ND2 3.47Å; Y30-D68 WeakPolarHBondContact CD2-OD1 3.48Å; Y30-D68 HydrophobicContact CE2-CB 4.41Å; Y30-D68 VanDerWaalsContact CE2-CG 3.49Å; Y30-D68 WeakPolarHBondContact CE2-OD1 3.35Å; Y30-D68 WeakPolarHBondContact CE2-OD2 3.47Å
31A90.7Very high89.7Confident18 Ų1847.3 Ų47.315%0.14926%0.264CS..Hα-helixtrans-63.1-46.5179.500000111C23 G28 A33 N34 F35C23-A31 VanDerWaalsContact SG-CB 3.6Å; G28-A31 WeakPolarHBondContact O-CB 3.27Å; G28-A31 PolarHBondContact O-N 3.44Å; G28-A31 VanDerWaalsContact O-N 3.1Å; A31-A33 PolarHBondContact O-N 3.26Å; A31-N34 PolarHBondContact O-N 3.06Å; A31-F35 HydrophobicContact CB-CD2 4.14Å; A31-F35 HydrophobicContact CB-CE2 4.18Å; A31-F35 WeakPolarHBondContact O-CB 3.39Å; A31-F35 WeakPolarHBondContact O-CD2 3.49Å; A31-F35 PolarHBondContact O-N 2.86Å
32W92.3Very high89.8Confident195 Ų19547.1 Ų47.174%0.73927%0.273SS*.Hα-helixtrans-59.5-47.4178.2-78.6105.3000112.3G28 P29 N34 T36G28-W32 PolarHBondContact O-N 3.49Å; P29-W32 PolarHBondContact O-N 2.74Å; W32-N34 PolarHBondContact O-N 3.22Å; W32-T36 WeakPolarHBondContact O-CB 3.44Å; W32-T36 WeakPolarHBondContact O-CG2 3.49Å; W32-T36 PolarHBondContact O-N 3.35Å; W32-T36 PolarHBondContact O-OG1 2.95Å
33A91.9Very high90.1Very high11 Ų1151.7 Ų51.79%0.09129%0.29CS..Hα-helixtrans-62.2-44.1178.200000112.2P29 Y30 A31 T36 V37 T64 L67P29-A33 VanDerWaalsContact O-CB 3.31Å; P29-A33 WeakPolarHBondContact O-CB 3.28Å; P29-A33 PolarHBondContact O-N 2.83Å; Y30-A33 PolarHBondContact O-N 3.48Å; A31-A33 PolarHBondContact O-N 3.26Å; A33-T36 PolarHBondContact O-OG1 3.44Å; A33-V37 PolarHBondContact O-N 3.31Å; A33-T64 HydrophobicContact CB-CG2 4.24Å; A33-T64 WeakPolarHBondContact O-CG2 3.34Å; A33-L67 HydrophobicContact CB-CD2 3.87Å
34N92.3Very high90.1Very high3 Ų350.2 Ų50.22%0.01628%0.28CS..Hα-helixtrans-72.8-41.8-178.1-78-79.8000112.9T19 Y30 A31 W32 V37 L38 D68 K99T19-N34 HydrophobicContact CG2-CB 3.41Å; T19-N34 VanDerWaalsContact CG2-CB 3.41Å; Y30-N34 VanDerWaalsContact CD2-ND2 3.34Å; Y30-N34 WeakPolarHBondContact CD2-ND2 3.34Å; Y30-N34 WeakPolarHBondContact CE2-ND2 3.49Å; Y30-N34 WeakPolarHBondContact O-CB 3.4Å; Y30-N34 PolarHBondContact O-N 2.8Å; Y30-N34 PolarHBondContact O-ND2 3.47Å; A31-N34 PolarHBondContact O-N 3.06Å; W32-N34 PolarHBondContact O-N 3.22Å; N34-V37 PolarHBondContact O-N 3.31Å; N34-L38 WeakPolarHBondContact O-CG 3.12Å; N34-L38 PolarHBondContact O-N 3.06Å; N34-D68 PolarHBondContact ND2-OD1 2.88Å; N34-D68 PolarHBondContact ND2-OD2 3.2Å; N34-D68 PolarHBondContact OD1-OD2 3.41Å; N34-K99 VanDerWaalsContact OD1-CE 3.27Å; N34-K99 WeakPolarHBondContact OD1-CE 3.38Å; N34-K99 PolarHBondContact OD1-NZ 3.44Å
35F93.7Very high90.3Very high84 Ų8447.2 Ų47.237%0.36827%0.266SS..Hα-helixtrans-70.5-33.3178.2-74.3-60.5000113.2W16 T19 A31 L38 A39W16-F35 AromaticContact CD1-CE1 3.98Å; T19-F35 HydrophobicContact CG2-CE1 4.31Å; T19-F35 HydrophobicContact CG2-CE2 4.23Å; T19-F35 HydrophobicContact CG2-CZ 4.08Å; A31-F35 HydrophobicContact CB-CD2 4.14Å; A31-F35 HydrophobicContact CB-CE2 4.18Å; A31-F35 WeakPolarHBondContact O-CB 3.39Å; A31-F35 WeakPolarHBondContact O-CD2 3.49Å; A31-F35 PolarHBondContact O-N 2.86Å; F35-L38 HydrophobicContact CD1-CD1 3.81Å; F35-L38 HydrophobicContact CE1-CD1 4.2Å; F35-L38 WeakPolarHBondContact O-CB 3.29Å; F35-L38 PolarHBondContact O-N 3.42Å; F35-A39 PolarHBondContact O-N 3.32Å
36T93.8Very high90.5Very high76 Ų7649.1 Ų49.147%0.46629%0.286SS..Hα-helixtrans-64.5-41.7174.248.60000111.7W32 A33 L38 A39 L40W32-T36 WeakPolarHBondContact O-CB 3.44Å; W32-T36 WeakPolarHBondContact O-CG2 3.49Å; W32-T36 PolarHBondContact O-N 3.35Å; W32-T36 PolarHBondContact O-OG1 2.95Å; A33-T36 PolarHBondContact O-OG1 3.44Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.27Å; T36-A39 WeakPolarHBondContact O-CB 3.38Å; T36-A39 PolarHBondContact O-N 2.85Å; T36-L40 PolarHBondContact O-N 3.29Å; T36-L40 VanDerWaalsContact O-N 3.08Å
37V93.9Very high90.7Very high10 Ų1053 Ų536%0.06130%0.304CS..Hα-helixtrans-63.8-38.8172151.50000112.5A33 N34 A39 L40 G41 F57 G60 L61 T64A33-V37 PolarHBondContact O-N 3.31Å; N34-V37 PolarHBondContact O-N 3.31Å; V37-A39 VanDerWaalsContact C-N 3.28Å; V37-A39 PolarHBondContact O-N 3.36Å; V37-L40 PolarHBondContact O-N 3.32Å; V37-G41 PolarHBondContact O-N 2.92Å; V37-F57 HydrophobicContact CG1-CD2 4.3Å; V37-F57 HydrophobicContact CG1-CE2 3.89Å; V37-F57 WeakPolarHBondContact O-CD2 3.35Å; V37-F57 WeakPolarHBondContact O-CE2 3.35Å; V37-G60 VanDerWaalsContact CG2-O 3.27Å; V37-G60 WeakPolarHBondContact CG2-O 3.49Å; V37-L61 HydrophobicContact CG1-CD2 3.85Å; V37-L61 HydrophobicContact CG1-CG 4.22Å; V37-T64 HydrophobicContact CB-CG2 4.01Å; V37-T64 HydrophobicContact CG2-CG2 3.34Å
38L93.4Very high90.6Very high13 Ų1353.8 Ų53.87%0.06829%0.293CS..Hα-helixtrans-61.4-38.5173.7-73168.4000111.5L12 H15 W16 N34 F35 T36 G41 V42L12-L38 HydrophobicContact CD2-CD2 3.91Å; L12-L38 WeakPolarHBondContact CD2-O 3.5Å; H15-L38 HydrophobicContact CB-CD2 3.64Å; W16-L38 HydrophobicContact CB-CD1 4.01Å; W16-L38 HydrophobicContact CB-CD2 4.3Å; N34-L38 WeakPolarHBondContact O-CG 3.12Å; N34-L38 PolarHBondContact O-N 3.06Å; F35-L38 HydrophobicContact CD1-CD1 3.81Å; F35-L38 HydrophobicContact CE1-CD1 4.2Å; F35-L38 WeakPolarHBondContact O-CB 3.29Å; F35-L38 PolarHBondContact O-N 3.42Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.27Å; L38-G41 CarbonylContact O-C 3.57Å; L38-G41 WeakPolarHBondContact O-CA 3.43Å; L38-G41 PolarHBondContact O-N 3.03Å; L38-G41 VanDerWaalsContact O-N 3.15Å; L38-V42 WeakPolarHBondContact O-CG2 3.5Å; L38-V42 PolarHBondContact O-N 2.94Å
39A94.4Very high90.3Very high61 Ų6159.7 Ų59.750%0.50432%0.317SS..Hα-helixtrans-63.1-43.2174.700000112.1F35 T36 V37 G41 V42 W43F35-A39 PolarHBondContact O-N 3.32Å; T36-A39 WeakPolarHBondContact O-CB 3.38Å; T36-A39 PolarHBondContact O-N 2.85Å; V37-A39 VanDerWaalsContact C-N 3.28Å; V37-A39 PolarHBondContact O-N 3.36Å; A39-G41 VanDerWaalsContact C-N 3.26Å; A39-G41 PolarHBondContact O-N 3.04Å; A39-V42 PolarHBondContact O-N 3.09Å; A39-W43 PolarHBondContact O-N 2.91Å
40L92.9Very high90.1Very high45 Ų4557.1 Ų57.124%0.23630%0.301CS..Hα-helixtrans-60.6-37.5171.8-65.4176.8000111.7T36 V37 W43 A44 M56 F57T36-L40 PolarHBondContact O-N 3.29Å; T36-L40 VanDerWaalsContact O-N 3.08Å; V37-L40 PolarHBondContact O-N 3.32Å; L40-W43 HydrophobicContact CD2-CE3 3.91Å; L40-W43 HydrophobicContact CD2-CZ3 4.21Å; L40-W43 WeakPolarHBondContact O-CB 3.49Å; L40-W43 PolarHBondContact O-N 3.38Å; L40-A44 PolarHBondContact O-N 3.3Å; L40-M56 HydrophobicContact CD2-CE 4.38Å; L40-F57 HydrophobicContact CB-CB 4.49Å; L40-F57 HydrophobicContact CB-CD2 4.36Å
41G90.9Very high89.9Confident0 Ų060.1 Ų60.10%032%0.317CS..Hα-helixtrans-64.1-43.317400000112.5L12 V37 L38 A39 W43 A44 V45 F57L12-G41 VanDerWaalsContact CD1-C 3.45Å; L12-G41 WeakPolarHBondContact CD1-O 3.27Å; V37-G41 PolarHBondContact O-N 2.92Å; L38-G41 CarbonylContact O-C 3.57Å; L38-G41 WeakPolarHBondContact O-CA 3.43Å; L38-G41 PolarHBondContact O-N 3.03Å; L38-G41 VanDerWaalsContact O-N 3.15Å; A39-G41 VanDerWaalsContact C-N 3.26Å; A39-G41 PolarHBondContact O-N 3.04Å; G41-W43 VanDerWaalsContact C-N 3.27Å; G41-W43 PolarHBondContact O-N 2.82Å; G41-A44 PolarHBondContact O-N 2.92Å; G41-A44 VanDerWaalsContact O-N 3.17Å; G41-V45 WeakPolarHBondContact O-CG2 3.44Å; G41-V45 PolarHBondContact O-N 2.87Å; G41-F57 VanDerWaalsContact CA-CE2 3.5Å; G41-F57 VanDerWaalsContact N-CD2 3.34Å
42V93.5Very high89.8Confident90 Ų9064.6 Ų64.655%0.54534%0.338SS..Hα-helixtrans-60.4-40.6174.2173.50000110.6L12 L38 A39 V45 A46L12-V42 HydrophobicContact CD2-CG2 3.92Å; L38-V42 WeakPolarHBondContact O-CG2 3.5Å; L38-V42 PolarHBondContact O-N 2.94Å; A39-V42 PolarHBondContact O-N 3.09Å; V42-V45 WeakPolarHBondContact O-CB 3.34Å; V42-V45 PolarHBondContact O-N 3.11Å; V42-A46 PolarHBondContact O-N 3.04Å
43W93.8Very high89.6Confident97 Ų9755.3 Ų55.337%0.36730%0.303SS..Hα-helixtrans-61.6-44.4174.1-178.522.1000112A39 L40 G41 V45 A46 Q47 A53 M56A39-W43 PolarHBondContact O-N 2.91Å; L40-W43 HydrophobicContact CD2-CE3 3.91Å; L40-W43 HydrophobicContact CD2-CZ3 4.21Å; L40-W43 WeakPolarHBondContact O-CB 3.49Å; L40-W43 PolarHBondContact O-N 3.38Å; G41-W43 VanDerWaalsContact C-N 3.27Å; G41-W43 PolarHBondContact O-N 2.82Å; W43-V45 VanDerWaalsContact C-N 3.27Å; W43-V45 PolarHBondContact O-N 3.25Å; W43-A46 PolarHBondContact O-N 3.17Å; W43-A46 VanDerWaalsContact O-N 3.11Å; W43-Q47 VanDerWaalsContact NE1-CD 3.34Å; W43-Q47 PolarHBondContact O-N 3.38Å; W43-A53 HydrophobicContact CD2-CB 4.17Å; W43-A53 HydrophobicContact CG-CB 4.34Å; W43-M56 HydrophobicContact CH2-SD 3.69Å; W43-M56 HydrophobicContact CZ3-CE 3.94Å; W43-M56 HydrophobicContact CZ3-SD 3.43Å; W43-M56 WeakPolarHBondContact CZ3-SD 3.28Å
44A88.9Confident89.4Confident0 Ų054.8 Ų54.80%030%0.298CS..Hα-helixtrans-63.8-27.8174.100000113.7L8 L40 G41 Q47 A53 F57L8-A44 HydrophobicContact CD2-CB 3.89Å; L40-A44 PolarHBondContact O-N 3.3Å; G41-A44 PolarHBondContact O-N 2.92Å; G41-A44 VanDerWaalsContact O-N 3.17Å; A44-Q47 CarbonylContact O-C 3.59Å; A44-A53 HydrophobicContact CB-CB 4.38Å; A44-F57 HydrophobicContact CB-CB 4.2Å
45V89.1Confident89.2Confident28 Ų2856.7 Ų56.717%0.1731%0.312CS..Hα-helixtrans-72.6-41.5170.51740000111.6L8 K9 L12 G41 V42 W43 R48L8-V45 HydrophobicContact CB-CG2 4.11Å; L8-V45 HydrophobicContact CD2-CB 4.41Å; L8-V45 HydrophobicContact CD2-CG2 3.46Å; L8-V45 VanDerWaalsContact CD2-CG2 3.46Å; L8-V45 HydrophobicContact CG-CG2 4.17Å; K9-V45 HydrophobicContact CD-CG1 4.48Å; K9-V45 HydrophobicContact CG-CG1 3.87Å; K9-V45 HydrophobicContact CG-CG2 4.28Å; L12-V45 HydrophobicContact CD1-CG2 3.35Å; G41-V45 WeakPolarHBondContact O-CG2 3.44Å; G41-V45 PolarHBondContact O-N 2.87Å; V42-V45 WeakPolarHBondContact O-CB 3.34Å; V42-V45 PolarHBondContact O-N 3.11Å; W43-V45 VanDerWaalsContact C-N 3.27Å; W43-V45 PolarHBondContact O-N 3.25Å; V45-R48 WeakPolarHBondContact O-CG 3.21Å
46A88.8Confident89Confident79 Ų7957 Ų5765%0.65332%0.316SS*.Hα-helixtrans-68.1-38.3-178.600000111.6V42 W43V42-A46 PolarHBondContact O-N 3.04Å; W43-A46 PolarHBondContact O-N 3.17Å; W43-A46 VanDerWaalsContact O-N 3.11Å
47Q85.9Confident89Confident96 Ų9653.5 Ų53.545%0.44929%0.294SS..  trans-115.278.6179.1-66.5-178.1-2.900110.8W43 A44 D49 S50W43-Q47 VanDerWaalsContact NE1-CD 3.34Å; W43-Q47 PolarHBondContact O-N 3.38Å; A44-Q47 CarbonylContact O-C 3.59Å; Q47-D49 PolarHBondContact O-N 2.72Å; Q47-S50 PolarHBondContact O-N 2.64Å
48R79.8Confident88.8Confident109 Ų10954.3 Ų54.341%0.41130%0.298SS..THydrogen-bonded Turntrans-69.1-17.1-178.7-64.6-176.2175.3-167.1-11.9114N7 V45 R113N7-R48 PolarHBondContact OD1-NH2 3.46Å; V45-R48 WeakPolarHBondContact O-CG 3.21Å; R48-R113 PolarHBondContact O-NE 3.47Å; R48-R113 VanDerWaalsContact O-NE 3.09Å; R48-R113 PolarHBondContact O-NH1 3.43Å; R48-R113 PolarHBondContact O-NH2 2.97Å
49D80.9Confident88.7Confident155 Ų15555.7 Ų55.783%0.82932%0.315SS*.THydrogen-bonded Turntrans-97.4-8179.5-52.1-46.3000111.9Q47 I51Q47-D49 PolarHBondContact O-N 2.72Å; D49-I51 PolarHBondContact O-N 3.18Å
50S83.5Confident88.6Confident29 Ų2953.4 Ų53.420%0.20330%0.298CS..  trans-81.3118.8179.51790000111.3Q47 D52 A53 I54Q47-S50 PolarHBondContact O-N 2.64Å; S50-D52 VanDerWaalsContact C-N 3.34Å; S50-D52 PolarHBondContact OG-N 3.21Å; S50-A53 PolarHBondContact OG-N 2.75Å; S50-I54 WeakPolarHBondContact O-CG2 3.47Å
51I84.1Confident88.6Confident63 Ų6351.3 Ų51.332%0.32329%0.287SS..Hα-helixtrans-70.8-33.7173.5-60.4176.7000110.4D49 I54 S55 Y110D49-I51 PolarHBondContact O-N 3.18Å; I51-I54 WeakPolarHBondContact O-CG2 3.17Å; I51-S55 VanDerWaalsContact O-CB 3.3Å; I51-S55 WeakPolarHBondContact O-CB 3.46Å; I51-S55 PolarHBondContact O-N 3.26Å; I51-S55 PolarHBondContact O-OG 3.07Å; I51-S55 VanDerWaalsContact O-OG 3.12Å; I51-Y110 HydrophobicContact CG2-CD2 4.32Å; I51-Y110 HydrophobicContact CG2-CE2 3.63Å
52D87.4Confident88.7Confident112 Ų11256.8 Ų56.860%0.59932%0.316SS*.Hα-helixtrans-66.8-44.3179.3-64.3-17000111.1S50 I54 S55 M56S50-D52 VanDerWaalsContact C-N 3.34Å; S50-D52 PolarHBondContact OG-N 3.21Å; D52-I54 PolarHBondContact O-N 2.91Å; D52-S55 WeakPolarHBondContact CA-OG 3.24Å; D52-S55 PolarHBondContact O-N 3.25Å; D52-S55 PolarHBondContact O-OG 3.39Å; D52-M56 WeakPolarHBondContact O-CB 3.02Å; D52-M56 VanDerWaalsContact O-CG 3.27Å; D52-M56 WeakPolarHBondContact O-CG 3.07Å; D52-M56 PolarHBondContact O-N 2.88Å
53A88.6Confident88.6Confident0 Ų055 Ų550%031%0.31CS..Hα-helixtrans-62.4-43179.800000112.1W43 A44 S50 F57W43-A53 HydrophobicContact CD2-CB 4.17Å; W43-A53 HydrophobicContact CG-CB 4.34Å; A44-A53 HydrophobicContact CB-CB 4.38Å; S50-A53 PolarHBondContact OG-N 2.75Å; A53-F57 PolarHBondContact O-N 3.33Å; A53-F57 VanDerWaalsContact O-N 3.09Å
54I88.3Confident88.6Confident0 Ų050.7 Ų50.70%029%0.294CS..Hα-helixtrans-73.6-33.5179.2-169.5161.2000112.4S50 I51 D52 F57 L58 V106 M109 Y110S50-I54 WeakPolarHBondContact O-CG2 3.47Å; I51-I54 WeakPolarHBondContact O-CG2 3.17Å; D52-I54 PolarHBondContact O-N 2.91Å; I54-F57 PolarHBondContact O-N 3.47Å; I54-L58 WeakPolarHBondContact O-CB 3.41Å; I54-L58 PolarHBondContact O-N 2.9Å; I54-V106 HydrophobicContact CD1-CG1 4.2Å; I54-V106 HydrophobicContact CG1-CG1 3.73Å; I54-M109 HydrophobicContact CD1-CB 3.82Å; I54-Y110 HydrophobicContact CG2-CD2 3.87Å
55S86.7Confident88.7Confident43 Ų4352.1 Ų52.130%0.30130%0.302SS..Hα-helixtrans-70.9-39176.668.10000111.9I51 D52 F57 L58 G59I51-S55 VanDerWaalsContact O-CB 3.3Å; I51-S55 WeakPolarHBondContact O-CB 3.46Å; I51-S55 PolarHBondContact O-N 3.26Å; I51-S55 PolarHBondContact O-OG 3.07Å; I51-S55 VanDerWaalsContact O-OG 3.12Å; D52-S55 WeakPolarHBondContact CA-OG 3.24Å; D52-S55 PolarHBondContact O-N 3.25Å; D52-S55 PolarHBondContact O-OG 3.39Å; S55-F57 VanDerWaalsContact C-N 3.35Å; S55-L58 PolarHBondContact O-N 3.1Å; S55-G59 PolarHBondContact O-N 3.46Å
56M91.1Very high88.9Confident92 Ų9257.4 Ų57.445%0.45332%0.323SS..Hα-helixtrans-63.9-40172.3-71.1-177.27700111.7L40 W43 D52 G60L40-M56 HydrophobicContact CD2-CE 4.38Å; W43-M56 HydrophobicContact CH2-SD 3.69Å; W43-M56 HydrophobicContact CZ3-CE 3.94Å; W43-M56 HydrophobicContact CZ3-SD 3.43Å; W43-M56 WeakPolarHBondContact CZ3-SD 3.28Å; D52-M56 WeakPolarHBondContact O-CB 3.02Å; D52-M56 VanDerWaalsContact O-CG 3.27Å; D52-M56 WeakPolarHBondContact O-CG 3.07Å; D52-M56 PolarHBondContact O-N 2.88Å; M56-G60 PolarHBondContact O-N 2.91Å
57F92.1Very high89Confident2 Ų257 Ų571%0.00931%0.31CS..Hα-helixtrans-64.4-43.2173.5-179.4-126.5000112L8 V37 L40 G41 A44 A53 I54 S55 G60 L61 V106L8-F57 HydrophobicContact CD1-CE1 4.47Å; V37-F57 HydrophobicContact CG1-CD2 4.3Å; V37-F57 HydrophobicContact CG1-CE2 3.89Å; V37-F57 WeakPolarHBondContact O-CD2 3.35Å; V37-F57 WeakPolarHBondContact O-CE2 3.35Å; L40-F57 HydrophobicContact CB-CB 4.49Å; L40-F57 HydrophobicContact CB-CD2 4.36Å; G41-F57 VanDerWaalsContact CA-CE2 3.5Å; G41-F57 VanDerWaalsContact N-CD2 3.34Å; A44-F57 HydrophobicContact CB-CB 4.2Å; A53-F57 PolarHBondContact O-N 3.33Å; A53-F57 VanDerWaalsContact O-N 3.09Å; I54-F57 PolarHBondContact O-N 3.47Å; S55-F57 VanDerWaalsContact C-N 3.35Å; F57-G60 PolarHBondContact O-N 3.39Å; F57-L61 HydrophobicContact CD1-CD1 4.15Å; F57-L61 HydrophobicContact CD2-CG 4.35Å; F57-L61 HydrophobicContact CE1-CD1 3.72Å; F57-L61 HydrophobicContact CE1-CG 4.47Å; F57-L61 HydrophobicContact CE2-CD1 4.11Å; F57-L61 HydrophobicContact CE2-CD2 4.29Å; F57-L61 HydrophobicContact CE2-CG 3.99Å; F57-L61 HydrophobicContact CZ-CD1 3.69Å; F57-L61 HydrophobicContact CZ-CD2 4.31Å; F57-L61 HydrophobicContact CZ-CG 4.05Å; F57-L61 WeakPolarHBondContact O-CB 3.27Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 3.3Å; F57-V106 HydrophobicContact CD1-CG1 3.87Å; F57-V106 HydrophobicContact CD1-CG2 3.9Å; F57-V106 HydrophobicContact CE1-CG1 4.36Å; F57-V106 HydrophobicContact CE1-CG2 3.52Å
58L90.8Very high89.2Confident26 Ų2652.5 Ų52.514%0.13629%0.288CS..Hα-helixtrans-63.5-47.5177.6-17466.1000112.1I54 S55 G60 L61 L62 C103 V106 Y107I54-L58 WeakPolarHBondContact O-CB 3.41Å; I54-L58 PolarHBondContact O-N 2.9Å; S55-L58 PolarHBondContact O-N 3.1Å; L58-G60 VanDerWaalsContact C-N 3.34Å; L58-L61 PolarHBondContact O-N 3.05Å; L58-L62 PolarHBondContact O-N 2.94Å; L58-C103 HydrophobicContact CD1-CB 4.42Å; L58-C103 WeakPolarHBondContact CD1-SG 3.35Å; L58-V106 HydrophobicContact CB-CG1 4.15Å; L58-V106 HydrophobicContact CD1-CB 4.19Å; L58-V106 HydrophobicContact CD1-CG1 4.01Å; L58-Y107 HydrophobicContact CD2-CD2 4.07Å
59G91.5Very high89.7Confident42 Ų4251 Ų5143%0.43329%0.287SS..Hα-helixtrans-62.7-40.7175.200000112.1S55 L62 A63S55-G59 PolarHBondContact O-N 3.46Å; G59-L62 PolarHBondContact O-N 2.92Å; G59-A63 WeakPolarHBondContact O-CB 3.44Å; G59-A63 PolarHBondContact O-N 3.34Å
60G92.4Very high90.2Very high14 Ų1446.2 Ų46.214%0.14426%0.264CS..Hα-helixtrans-62.3-43.9174.300000112.6V37 M56 F57 L58 L62 A63 T64V37-G60 VanDerWaalsContact CG2-O 3.27Å; V37-G60 WeakPolarHBondContact CG2-O 3.49Å; M56-G60 PolarHBondContact O-N 2.91Å; F57-G60 PolarHBondContact O-N 3.39Å; L58-G60 VanDerWaalsContact C-N 3.34Å; G60-L62 VanDerWaalsContact C-N 3.31Å; G60-L62 PolarHBondContact O-N 2.9Å; G60-A63 PolarHBondContact O-N 2.7Å; G60-T64 WeakPolarHBondContact O-CB 3.39Å; G60-T64 WeakPolarHBondContact O-CG2 3.22Å; G60-T64 PolarHBondContact O-N 2.99Å; G60-T64 PolarHBondContact O-OG1 2.87Å
61L92.3Very high90.4Very high1 Ų146.4 Ų46.41%0.00526%0.261CS..Hα-helixtrans-57.6-45.4173.7-80.6172.8000111.2V37 F57 L58 T64 I65 K99 V106V37-L61 HydrophobicContact CG1-CD2 3.85Å; V37-L61 HydrophobicContact CG1-CG 4.22Å; F57-L61 HydrophobicContact CD1-CD1 4.15Å; F57-L61 HydrophobicContact CD2-CG 4.35Å; F57-L61 HydrophobicContact CE1-CD1 3.72Å; F57-L61 HydrophobicContact CE1-CG 4.47Å; F57-L61 HydrophobicContact CE2-CD1 4.11Å; F57-L61 HydrophobicContact CE2-CD2 4.29Å; F57-L61 HydrophobicContact CE2-CG 3.99Å; F57-L61 HydrophobicContact CZ-CD1 3.69Å; F57-L61 HydrophobicContact CZ-CD2 4.31Å; F57-L61 HydrophobicContact CZ-CG 4.05Å; F57-L61 WeakPolarHBondContact O-CB 3.27Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 3.3Å; L58-L61 PolarHBondContact O-N 3.05Å; L61-T64 PolarHBondContact O-N 3.5Å; L61-T64 PolarHBondContact O-OG1 3.41Å; L61-I65 VanDerWaalsContact O-CG1 3.28Å; L61-I65 WeakPolarHBondContact O-CG1 3.49Å; L61-I65 PolarHBondContact O-N 3.47Å; L61-K99 HydrophobicContact CD2-CG 4.26Å; L61-V106 HydrophobicContact CD1-CG2 4.15Å
62L92.8Very high90.6Very high115 Ų11544.3 Ų44.360%0.60225%0.251SS*.Hα-helixtrans-63.3-44.9178.2-169.165000112.3L58 G59 G60 T64 I65 F66L58-L62 PolarHBondContact O-N 2.94Å; G59-L62 PolarHBondContact O-N 2.92Å; G60-L62 VanDerWaalsContact C-N 3.31Å; G60-L62 PolarHBondContact O-N 2.9Å; L62-T64 VanDerWaalsContact C-N 3.34Å; L62-T64 PolarHBondContact O-N 3.31Å; L62-I65 PolarHBondContact O-N 3.45Å; L62-F66 PolarHBondContact O-N 3.15Å
63A92.9Very high90.5Very high51 Ų5142.4 Ų42.442%0.42125%0.246SC..Hα-helixtrans-61.9-42.7176.700000111.6G59 G60 F66 L67G59-A63 WeakPolarHBondContact O-CB 3.44Å; G59-A63 PolarHBondContact O-N 3.34Å; G60-A63 PolarHBondContact O-N 2.7Å; A63-F66 WeakPolarHBondContact O-CB 3.48Å; A63-F66 PolarHBondContact O-N 3.26Å; A63-L67 VanDerWaalsContact O-CD1 3.29Å; A63-L67 WeakPolarHBondContact O-CD1 3.31Å; A63-L67 PolarHBondContact O-N 2.6Å
64T92.6Very high90.4Very high7 Ų747.9 Ų47.94%0.04327%0.274CS..Hα-helixtrans-72.9-26.8179.657.30000113.7A33 V37 G60 L61 L62 F66 D68 K99A33-T64 HydrophobicContact CB-CG2 4.24Å; A33-T64 WeakPolarHBondContact O-CG2 3.34Å; V37-T64 HydrophobicContact CB-CG2 4.01Å; V37-T64 HydrophobicContact CG2-CG2 3.34Å; G60-T64 WeakPolarHBondContact O-CB 3.39Å; G60-T64 WeakPolarHBondContact O-CG2 3.22Å; G60-T64 PolarHBondContact O-N 2.99Å; G60-T64 PolarHBondContact O-OG1 2.87Å; L61-T64 PolarHBondContact O-N 3.5Å; L61-T64 PolarHBondContact O-OG1 3.41Å; L62-T64 VanDerWaalsContact C-N 3.34Å; L62-T64 PolarHBondContact O-N 3.31Å; T64-F66 VanDerWaalsContact C-N 3.32Å; T64-D68 WeakPolarHBondContact O-CB 3.44Å; T64-D68 PolarHBondContact O-N 3.03Å; T64-K99 PolarHBondContact O-NZ 2.89Å; T64-K99 PolarHBondContact OG1-NZ 3.35Å
65I92.1Very high90.2Very high30 Ų3053.8 Ų53.815%0.15430%0.3CS..Hα-helixtrans-57.8-49.7167.3-71.5165.2000109.3L61 L62 D68 I69 L96 K99L61-I65 VanDerWaalsContact O-CG1 3.28Å; L61-I65 WeakPolarHBondContact O-CG1 3.49Å; L61-I65 PolarHBondContact O-N 3.47Å; L62-I65 PolarHBondContact O-N 3.45Å; I65-D68 PolarHBondContact O-N 3.25Å; I65-I69 HydrophobicContact CG2-CD1 3.85Å; I65-I69 WeakPolarHBondContact O-CD1 3.14Å; I65-I69 VanDerWaalsContact O-CG1 3.24Å; I65-I69 WeakPolarHBondContact O-CG1 3.46Å; I65-I69 PolarHBondContact O-N 2.91Å; I65-L96 HydrophobicContact CG2-CD1 4.2Å; I65-K99 HydrophobicContact CD1-CB 3.84Å; I65-K99 HydrophobicContact CG1-CB 3.47Å; I65-K99 VanDerWaalsContact CG1-CB 3.47Å; I65-K99 HydrophobicContact CG1-CD 3.82Å; I65-K99 HydrophobicContact CG1-CG 4.28Å
66F92.8Very high89.9Confident139 Ų13956.1 Ų56.161%0.6130%0.303SS*.Hα-helixtrans-63.1-48179.7-180-102.4000112.1L62 A63 T64 D68 I69 V70L62-F66 PolarHBondContact O-N 3.15Å; A63-F66 WeakPolarHBondContact O-CB 3.48Å; A63-F66 PolarHBondContact O-N 3.26Å; T64-F66 VanDerWaalsContact C-N 3.32Å; F66-D68 VanDerWaalsContact C-N 3.33Å; F66-D68 PolarHBondContact O-N 3.42Å; F66-I69 PolarHBondContact O-N 3.4Å; F66-V70 HydrophobicContact CE1-CG2 4.15Å; F66-V70 HydrophobicContact CE2-CG2 4.37Å; F66-V70 HydrophobicContact CZ-CG2 4.04Å; F66-V70 WeakPolarHBondContact O-CG2 3.34Å; F66-V70 PolarHBondContact O-N 3.33Å; F66-V70 VanDerWaalsContact O-N 3.1Å
67L90.2Very high88.9Confident72 Ų7253.8 Ų53.838%0.37730%0.295SS..Hα-helixtrans-60.8-41.2179.3-95.769000112.4A33 A63 V70 H71A33-L67 HydrophobicContact CB-CD2 3.87Å; A63-L67 VanDerWaalsContact O-CD1 3.29Å; A63-L67 WeakPolarHBondContact O-CD1 3.31Å; A63-L67 PolarHBondContact O-N 2.6Å; L67-V70 PolarHBondContact O-N 2.93Å; L67-H71 WeakPolarHBondContact O-CB 3.33Å; L67-H71 PolarHBondContact O-N 3.08Å; L67-H71 PolarHBondContact O-ND1 3.49Å
68D90.1Very high87.8Confident0 Ų064 Ų640%033%0.333CS..Hα-helixtrans-68.7-39179.3-78.512.6000111.7Y30 N34 T64 I65 F66 V70 H71 I72 L96 K99Y30-D68 WeakPolarHBondContact CD2-OD1 3.48Å; Y30-D68 HydrophobicContact CE2-CB 4.41Å; Y30-D68 VanDerWaalsContact CE2-CG 3.49Å; Y30-D68 WeakPolarHBondContact CE2-OD1 3.35Å; Y30-D68 WeakPolarHBondContact CE2-OD2 3.47Å; N34-D68 PolarHBondContact ND2-OD1 2.88Å; N34-D68 PolarHBondContact ND2-OD2 3.2Å; N34-D68 PolarHBondContact OD1-OD2 3.41Å; T64-D68 WeakPolarHBondContact O-CB 3.44Å; T64-D68 PolarHBondContact O-N 3.03Å; I65-D68 PolarHBondContact O-N 3.25Å; F66-D68 VanDerWaalsContact C-N 3.33Å; F66-D68 PolarHBondContact O-N 3.42Å; D68-V70 VanDerWaalsContact C-N 3.32Å; D68-V70 PolarHBondContact O-N 3.47Å; D68-H71 PolarHBondContact O-N 3.19Å; D68-I72 WeakPolarHBondContact O-CB 3.48Å; D68-I72 VanDerWaalsContact O-CG1 3.28Å; D68-I72 WeakPolarHBondContact O-CG1 3.34Å; D68-I72 PolarHBondContact O-N 2.93Å; D68-L96 HydrophobicContact CB-CD1 3.83Å; D68-K99 VanDerWaalsContact CG-NZ 3.27Å; D68-K99 IonicContact OD1-NZ 2.6Å; D68-K99 WeakPolarHBondContact OD2-CE 3.11Å; D68-K99 IonicContact OD2-NZ 3.65Å; D68-K99 PolarHBondContact OD2-NZ 3.5Å
69I90.8Very high86.2Confident77 Ų7766.5 Ų66.540%0.39536%0.358SS..Hα-helixtrans-58-48.4173.5-69.9163.6000109.8I65 F66 S73 L96I65-I69 HydrophobicContact CG2-CD1 3.85Å; I65-I69 WeakPolarHBondContact O-CD1 3.14Å; I65-I69 VanDerWaalsContact O-CG1 3.24Å; I65-I69 WeakPolarHBondContact O-CG1 3.46Å; I65-I69 PolarHBondContact O-N 2.91Å; F66-I69 PolarHBondContact O-N 3.4Å; I69-S73 WeakPolarHBondContact O-CB 3.35Å; I69-S73 PolarHBondContact O-N 3.17Å; I69-S73 PolarHBondContact O-OG 3.24Å; I69-L96 HydrophobicContact CG1-CD1 3.86Å; I69-L96 HydrophobicContact CG1-CD2 3.87Å; I69-L96 HydrophobicContact CG1-CG 4.47Å
70V90.8Very high84.8Confident55 Ų5570.2 Ų70.233%0.33338%0.377SS..Hα-helixtrans-63.2-45.3179.1174.10000110.9F66 L67 D68 S73 I74F66-V70 HydrophobicContact CE1-CG2 4.15Å; F66-V70 HydrophobicContact CE2-CG2 4.37Å; F66-V70 HydrophobicContact CZ-CG2 4.04Å; F66-V70 WeakPolarHBondContact O-CG2 3.34Å; F66-V70 PolarHBondContact O-N 3.33Å; F66-V70 VanDerWaalsContact O-N 3.1Å; L67-V70 PolarHBondContact O-N 2.93Å; D68-V70 VanDerWaalsContact C-N 3.32Å; D68-V70 PolarHBondContact O-N 3.47Å; V70-S73 PolarHBondContact O-N 2.73Å; V70-I74 HydrophobicContact CG1-CD1 3.72Å; V70-I74 WeakPolarHBondContact O-CG1 3.39Å; V70-I74 PolarHBondContact O-N 3.04Å
71H88.5Confident83.7Confident33 Ų3372.2 Ų72.215%0.15338%0.384CS..Hα-helixtrans-62.6-51.2179.6-8876.6000112.4P29 L67 D68 S73 I74 F75P29-H71 WeakPolarHBondContact CB-NE2 3.23Å; L67-H71 WeakPolarHBondContact O-CB 3.33Å; L67-H71 PolarHBondContact O-N 3.08Å; L67-H71 PolarHBondContact O-ND1 3.49Å; D68-H71 PolarHBondContact O-N 3.19Å; H71-S73 VanDerWaalsContact C-N 3.31Å; H71-S73 PolarHBondContact O-N 2.91Å; H71-I74 PolarHBondContact O-N 2.97Å; H71-F75 WeakPolarHBondContact O-CB 3.41Å; H71-F75 WeakPolarHBondContact O-CD2 3.38Å; H71-F75 PolarHBondContact O-N 3.42Å
72I87.6Confident83.2Confident19 Ų1976.6 Ų76.610%0.09741%0.411CS..Hα-helixtrans-61.5-44.8178.6-66.7168.5000108.8F26 D68 I74 Y76 A92 L96F26-I72 HydrophobicContact CE2-CG1 4.44Å; D68-I72 WeakPolarHBondContact O-CB 3.48Å; D68-I72 VanDerWaalsContact O-CG1 3.28Å; D68-I72 WeakPolarHBondContact O-CG1 3.34Å; D68-I72 PolarHBondContact O-N 2.93Å; I72-I74 VanDerWaalsContact C-N 3.31Å; I72-I74 PolarHBondContact O-N 2.94Å; I72-Y76 HydrophobicContact CG2-CD2 4.14Å; I72-Y76 WeakPolarHBondContact O-CB 3.43Å; I72-Y76 PolarHBondContact O-N 2.97Å; I72-A92 HydrophobicContact CD1-CB 4.49Å; I72-L96 HydrophobicContact CD1-CB 4.4Å; I72-L96 HydrophobicContact CD1-CD2 4.13Å
73S86.4Confident82.9Confident72 Ų7277.2 Ų77.250%0.50342%0.415SS..Hα-helixtrans-60-36.9-178.7-61.10000113.9I69 V70 H71I69-S73 WeakPolarHBondContact O-CB 3.35Å; I69-S73 PolarHBondContact O-N 3.17Å; I69-S73 PolarHBondContact O-OG 3.24Å; V70-S73 PolarHBondContact O-N 2.73Å; H71-S73 VanDerWaalsContact C-N 3.31Å; H71-S73 PolarHBondContact O-N 2.91Å
74I85.8Confident82.5Confident115 Ų11579 Ų7959%0.5942%0.421SS*.Hα-helixtrans-85.8-47.5-178-65.4171.7000111.6V70 H71 I72V70-I74 HydrophobicContact CG1-CD1 3.72Å; V70-I74 WeakPolarHBondContact O-CG1 3.39Å; V70-I74 PolarHBondContact O-N 3.04Å; H71-I74 PolarHBondContact O-N 2.97Å; I72-I74 VanDerWaalsContact C-N 3.31Å; I72-I74 PolarHBondContact O-N 2.94Å
75F83.2Confident82.1Confident125 Ų12579.1 Ų79.155%0.54842%0.423SS..Hα-helixtrans-95.12.2-169.3-65.5-80000113.9F26 H71 P77F26-F75 HydrophobicContact CD1-CB 4.32Å; F26-F75 HydrophobicContact CE1-CB 4.24Å; H71-F75 WeakPolarHBondContact O-CB 3.41Å; H71-F75 WeakPolarHBondContact O-CD2 3.38Å; H71-F75 PolarHBondContact O-N 3.42Å; F75-P77 VanDerWaalsContact O-CD 3.24Å; F75-P77 WeakPolarHBondContact O-CD 3.4Å; F75-P77 VanDerWaalsContact O-N 3.11Å
76Y80.8Confident81.8Confident91 Ų9185.3 Ų85.336%0.35745%0.445SS..  trans-57.6117.2177.1-162.5-97.7000110.7F26 I72 R78 L81 A89 I93F26-Y76 HydrophobicContact CZ-CD2 4.37Å; I72-Y76 HydrophobicContact CG2-CD2 4.14Å; I72-Y76 WeakPolarHBondContact O-CB 3.43Å; I72-Y76 PolarHBondContact O-N 2.97Å; Y76-R78 HydrophobicContact CD1-CG 4.48Å; Y76-R78 PolarHBondContact O-N 3.26Å; Y76-L81 HydrophobicContact CE1-CD1 4.35Å; Y76-A89 HydrophobicContact CE2-CB 4.18Å; Y76-I93 HydrophobicContact CE2-CD1 4.28Å
77P70.7Confident81.6Confident43 Ų4383.7 Ų83.728%0.27944%0.438SS..  trans-68.9109.5-179.1-10.323.8000109.4V25 F75 L81V25-P77 HydrophobicContact CG1-CG 4.45Å; F75-P77 VanDerWaalsContact O-CD 3.24Å; F75-P77 WeakPolarHBondContact O-CD 3.4Å; F75-P77 VanDerWaalsContact O-N 3.11Å; P77-L81 HydrophobicContact CB-CD2 4.06Å; P77-L81 HydrophobicContact CB-CG 4.15Å; P77-L81 HydrophobicContact CG-CD2 3.97Å; P77-L81 WeakPolarHBondContact O-CD1 3.28Å; P77-L81 WeakPolarHBondContact O-CG 3.38Å
78R69.4Low81.5Confident217 Ų21780.3 Ų80.382%0.81942%0.42SS*.  trans-86.8-15.7-178.3-60.3-174.9-164.4171.64.2113.8Y76Y76-R78 HydrophobicContact CD1-CG 4.48Å; Y76-R78 PolarHBondContact O-N 3.26Å
79A57.4Low81.3Confident78 Ų7880.3 Ų80.365%0.64542%0.42SS*.SBendtrans-127.2136179.700000110.1
80S61.9Low81.2Confident121 Ų12178 Ų7885%0.84642%0.415SS*.  trans55.656.6176.159.80000116.5T82S80-T82 PolarHBondContact O-N 3.21Å
81L69.3Low81.3Confident55 Ų5576.4 Ų76.429%0.28840%0.404SS..  trans-72.7114.7168.3-82.5149.4000110.3Y76 P77 R86Y76-L81 HydrophobicContact CE1-CD1 4.35Å; P77-L81 HydrophobicContact CB-CD2 4.06Å; P77-L81 HydrophobicContact CB-CG 4.15Å; P77-L81 HydrophobicContact CG-CD2 3.97Å; P77-L81 WeakPolarHBondContact O-CD1 3.28Å; P77-L81 WeakPolarHBondContact O-CG 3.38Å; L81-R86 HydrophobicContact CB-CG 3.74Å; L81-R86 HydrophobicContact CD2-CG 4.38Å; L81-R86 HydrophobicContact CG-CG 4.46Å
82T81.9Confident81.3Confident93 Ų9374.9 Ų74.957%0.57140%0.397SS*.  trans-63.9157.3165.258.90000110.1S80 T84 G85 R86S80-T82 PolarHBondContact O-N 3.21Å; T82-T84 PolarHBondContact O-N 2.92Å; T82-G85 WeakPolarHBondContact O-CA 3.34Å; T82-G85 PolarHBondContact O-N 3.41Å; T82-G85 PolarHBondContact OG1-N 3.31Å; T82-R86 PolarHBondContact O-N 2.87Å
83D86.7Confident81.4Confident129 Ų12977 Ų7769%0.6941%0.408SS*.Hα-helixtrans-56.7-35.9179.1-65.9-42.2000112.1R86 F87D83-R86 PolarHBondContact O-N 2.83Å; D83-F87 PolarHBondContact O-N 3.46Å
84T84.1Confident81.6Confident87 Ų8777.7 Ų77.753%0.53441%0.406SS..Hα-helixtrans-61.7-40.9171.4-47.50000112.3I24 T82 F87 G88I24-T84 HydrophobicContact CG2-CG2 3.72Å; T82-T84 PolarHBondContact O-N 2.92Å; T84-F87 PolarHBondContact O-N 2.86Å; T84-G88 PolarHBondContact O-N 3.36Å
85G83.7Confident81.8Confident10 Ų1072.2 Ų72.210%0.10338%0.378CS..Hα-helixtrans-63.3-40.1175.900000113V25 T82 A89V25-G85 WeakPolarHBondContact CG2-O 3.41Å; T82-G85 WeakPolarHBondContact O-CA 3.34Å; T82-G85 PolarHBondContact O-N 3.41Å; T82-G85 PolarHBondContact OG1-N 3.31Å; G85-A89 WeakPolarHBondContact O-CB 3.49Å; G85-A89 PolarHBondContact O-N 3.44Å
86R86.6Confident82.1Confident160 Ų16067.8 Ų67.860%0.60436%0.36SS*.Hα-helixtrans-67.9-40.4177.3-60.8173.767179.21.5111.5L81 T82 D83 G90L81-R86 HydrophobicContact CB-CG 3.74Å; L81-R86 HydrophobicContact CD2-CG 4.38Å; L81-R86 HydrophobicContact CG-CG 4.46Å; T82-R86 PolarHBondContact O-N 2.87Å; D83-R86 PolarHBondContact O-N 2.83Å; R86-G90 PolarHBondContact O-N 2.98Å
87F88.4Confident82.6Confident106 Ų10668.4 Ų68.447%0.46537%0.369SS..Hα-helixtrans-62.2-53.6176.3179.1-99.4000111.5W21 D83 T84 A89 G90 M91W21-F87 HydrophobicContact CB-CE1 4.29Å; W21-F87 HydrophobicContact CG-CE1 4.25Å; D83-F87 PolarHBondContact O-N 3.46Å; T84-F87 PolarHBondContact O-N 2.86Å; F87-A89 PolarHBondContact O-N 3.27Å; F87-G90 PolarHBondContact O-N 2.83Å; F87-G90 VanDerWaalsContact O-N 3.17Å; F87-M91 HydrophobicContact CD1-CG 4.36Å; F87-M91 HydrophobicContact CE1-CG 3.96Å; F87-M91 HydrophobicContact CE2-CG 4.3Å; F87-M91 HydrophobicContact CE2-SD 4.22Å; F87-M91 HydrophobicContact CZ-CG 3.92Å; F87-M91 HydrophobicContact CZ-SD 4.21Å; F87-M91 WeakPolarHBondContact O-CG 3.25Å; F87-M91 PolarHBondContact O-N 2.77Å
88G87.4Confident83.5Confident0 Ų068.9 Ų68.90%037%0.369CS..Hα-helixtrans-64.1-39.4-179.800000112.9W21 T84 G90 M91 A92W21-G88 WeakPolarHBondContact O-CA 3.36Å; T84-G88 PolarHBondContact O-N 3.36Å; G88-G90 VanDerWaalsContact C-N 3.33Å; G88-G90 PolarHBondContact O-N 3.46Å; G88-M91 PolarHBondContact O-N 3.31Å; G88-A92 PolarHBondContact O-N 2.97Å
89A86.8Confident84.5Confident0 Ų058.6 Ų58.60%033%0.33CS..Hα-helixtrans-63.1-40.3173.900000112.1F26 Y76 G85 F87 A92 I93F26-A89 HydrophobicContact CE2-CB 4.12Å; F26-A89 HydrophobicContact CZ-CB 4.39Å; Y76-A89 HydrophobicContact CE2-CB 4.18Å; G85-A89 WeakPolarHBondContact O-CB 3.49Å; G85-A89 PolarHBondContact O-N 3.44Å; F87-A89 PolarHBondContact O-N 3.27Å; A89-A92 PolarHBondContact O-N 3Å; A89-I93 VanDerWaalsContact O-CG1 3.29Å; A89-I93 WeakPolarHBondContact O-CG1 3.34Å; A89-I93 PolarHBondContact O-N 3.36Å
90G88.2Confident85.9Confident28 Ų2857.7 Ų57.729%0.28932%0.317SS..Hα-helixtrans-59.5-45.4172.900000112.2R86 F87 G88 A92 I93 L94R86-G90 PolarHBondContact O-N 2.98Å; F87-G90 PolarHBondContact O-N 2.83Å; F87-G90 VanDerWaalsContact O-N 3.17Å; G88-G90 VanDerWaalsContact C-N 3.33Å; G88-G90 PolarHBondContact O-N 3.46Å; G90-A92 VanDerWaalsContact C-N 3.35Å; G90-A92 PolarHBondContact O-N 3.39Å; G90-I93 PolarHBondContact O-N 2.95Å; G90-L94 WeakPolarHBondContact O-CG 3.19Å; G90-L94 PolarHBondContact O-N 3.48Å
91M92.8Very high87.1Confident23 Ų2356.8 Ų56.811%0.11330%0.302CS..Hα-helixtrans-65.3-36.2177.5-63.3-40-61.400112.8L18 W21 F87 G88 L94 S95L18-M91 HydrophobicContact CD1-CE 4.42Å; L18-M91 HydrophobicContact CD2-CE 4.38Å; L18-M91 HydrophobicContact CG-CE 3.8Å; W21-M91 HydrophobicContact CB-CB 3.72Å; W21-M91 HydrophobicContact CB-CG 3.65Å; W21-M91 HydrophobicContact CE3-CE 3.4Å; W21-M91 VanDerWaalsContact CE3-CE 3.4Å; W21-M91 HydrophobicContact CE3-CG 4.11Å; W21-M91 HydrophobicContact CE3-SD 4.26Å; W21-M91 HydrophobicContact CG-CG 4.4Å; W21-M91 HydrophobicContact CZ3-CE 3.72Å; F87-M91 HydrophobicContact CD1-CG 4.36Å; F87-M91 HydrophobicContact CE1-CG 3.96Å; F87-M91 HydrophobicContact CE2-CG 4.3Å; F87-M91 HydrophobicContact CE2-SD 4.22Å; F87-M91 HydrophobicContact CZ-CG 3.92Å; F87-M91 HydrophobicContact CZ-SD 4.21Å; F87-M91 WeakPolarHBondContact O-CG 3.25Å; F87-M91 PolarHBondContact O-N 2.77Å; G88-M91 PolarHBondContact O-N 3.31Å; M91-L94 HydrophobicContact CE-CD1 3.97Å; M91-L94 PolarHBondContact O-N 3.44Å; M91-L94 HydrophobicContact SD-CD1 3.91Å; M91-S95 WeakPolarHBondContact O-CB 3.37Å; M91-S95 PolarHBondContact O-N 2.97Å
92A88.9Confident87.9Confident0 Ų054.3 Ų54.30%029%0.29CS..Hα-helixtrans-65.9-40.8173.600000112.3F26 I72 G88 A89 G90 S95 L96F26-A92 HydrophobicContact CD2-CB 3.64Å; F26-A92 HydrophobicContact CE2-CB 3.85Å; I72-A92 HydrophobicContact CD1-CB 4.49Å; G88-A92 PolarHBondContact O-N 2.97Å; A89-A92 PolarHBondContact O-N 3Å; G90-A92 VanDerWaalsContact C-N 3.35Å; G90-A92 PolarHBondContact O-N 3.39Å; A92-S95 WeakPolarHBondContact O-CB 3.38Å; A92-S95 PolarHBondContact O-N 3.49Å; A92-L96 PolarHBondContact O-N 3.27Å
93I89.2Confident88.3Confident63 Ų6351.3 Ų51.332%0.32327%0.272SS..Hα-helixtrans-64.9-43.6174.6-67.1164.1000110.7Y76 A89 G90 S95 L96 L97Y76-I93 HydrophobicContact CE2-CD1 4.28Å; A89-I93 VanDerWaalsContact O-CG1 3.29Å; A89-I93 WeakPolarHBondContact O-CG1 3.34Å; A89-I93 PolarHBondContact O-N 3.36Å; G90-I93 PolarHBondContact O-N 2.95Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 3.45Å; I93-L96 WeakPolarHBondContact O-CB 3.35Å; I93-L96 PolarHBondContact O-N 3.28Å; I93-L97 HydrophobicContact CG2-CD1 4.17Å; I93-L97 HydrophobicContact CG2-CG 4.5Å; I93-L97 WeakPolarHBondContact O-CG 3.42Å; I93-L97 PolarHBondContact O-N 2.88Å
94L90.8Very high88.2Confident88 Ų8848.7 Ų48.746%0.46126%0.263SS..Hα-helixtrans-61.9-37.7174.7-70.7173.3000111.5L18 G90 M91 L97 L98L18-L94 HydrophobicContact CD2-CB 3.66Å; G90-L94 WeakPolarHBondContact O-CG 3.19Å; G90-L94 PolarHBondContact O-N 3.48Å; M91-L94 HydrophobicContact CE-CD1 3.97Å; M91-L94 PolarHBondContact O-N 3.44Å; M91-L94 HydrophobicContact SD-CD1 3.91Å; L94-L97 PolarHBondContact O-N 2.94Å; L94-L98 WeakPolarHBondContact O-CB 3.49Å; L94-L98 PolarHBondContact O-N 3.3Å
95S90.5Very high88.3Confident0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-60.6-48175-167.50000110.2M91 A92 I93 L97 L98 K99M91-S95 WeakPolarHBondContact O-CB 3.37Å; M91-S95 PolarHBondContact O-N 2.97Å; A92-S95 WeakPolarHBondContact O-CB 3.38Å; A92-S95 PolarHBondContact O-N 3.49Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 3.45Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 3.4Å; S95-L98 PolarHBondContact O-N 2.82Å; S95-K99 WeakPolarHBondContact O-CG 3.41Å; S95-K99 PolarHBondContact O-N 3.47Å
96L89.9Confident88.4Confident32 Ų3247.4 Ų47.417%0.16825%0.248CC..Hα-helixtrans-59.7-41.8176.8177.467.2000112.2I65 D68 I69 I72 A92 I93 P100I65-L96 HydrophobicContact CG2-CD1 4.2Å; D68-L96 HydrophobicContact CB-CD1 3.83Å; I69-L96 HydrophobicContact CG1-CD1 3.86Å; I69-L96 HydrophobicContact CG1-CD2 3.87Å; I69-L96 HydrophobicContact CG1-CG 4.47Å; I72-L96 HydrophobicContact CD1-CB 4.4Å; I72-L96 HydrophobicContact CD1-CD2 4.13Å; A92-L96 PolarHBondContact O-N 3.27Å; I93-L96 WeakPolarHBondContact O-CB 3.35Å; I93-L96 PolarHBondContact O-N 3.28Å; L96-P100 WeakPolarHBondContact O-CD 3.29Å
97L90Very high88.4Confident104 Ų10442.7 Ų42.755%0.54523%0.23SC..Hα-helixtrans-71.1-28.9178-70.4174.3000113.3I93 L94 S95 P100I93-L97 HydrophobicContact CG2-CD1 4.17Å; I93-L97 HydrophobicContact CG2-CG 4.5Å; I93-L97 WeakPolarHBondContact O-CG 3.42Å; I93-L97 PolarHBondContact O-N 2.88Å; L94-L97 PolarHBondContact O-N 2.94Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 3.4Å; L97-P100 VanDerWaalsContact O-CD 3.23Å; L97-P100 WeakPolarHBondContact O-CD 3.48Å; L97-P100 WeakPolarHBondContact O-CG 3.18Å
98L89Confident88.1Confident53 Ų5341.8 Ų41.828%0.27723%0.227SC..Hα-helixtrans-76.1-26.5178.8-167.166.9000112.3L18 L94 S95 L101 S102L18-L98 HydrophobicContact CD2-CD2 4.34Å; L94-L98 WeakPolarHBondContact O-CB 3.49Å; L94-L98 PolarHBondContact O-N 3.3Å; S95-L98 PolarHBondContact O-N 2.82Å; L98-L101 HydrophobicContact CD1-CD1 4.43Å; L98-L101 PolarHBondContact O-N 2.87Å; L98-S102 WeakPolarHBondContact O-CB 3.02Å; L98-S102 PolarHBondContact O-N 2.98Å; L98-S102 PolarHBondContact O-OG 2.86Å
99K90.6Very high87.8Confident1 Ų143.8 Ų43.80%0.00424%0.237CC..Hα-helixtrans-60.9-46.5178.1-72.5175-177.8-167.90115.3N34 L61 T64 I65 D68 S95 L101 S102 C103N34-K99 VanDerWaalsContact OD1-CE 3.27Å; N34-K99 WeakPolarHBondContact OD1-CE 3.38Å; N34-K99 PolarHBondContact OD1-NZ 3.44Å; L61-K99 HydrophobicContact CD2-CG 4.26Å; T64-K99 PolarHBondContact O-NZ 2.89Å; T64-K99 PolarHBondContact OG1-NZ 3.35Å; I65-K99 HydrophobicContact CD1-CB 3.84Å; I65-K99 HydrophobicContact CG1-CB 3.47Å; I65-K99 VanDerWaalsContact CG1-CB 3.47Å; I65-K99 HydrophobicContact CG1-CD 3.82Å; I65-K99 HydrophobicContact CG1-CG 4.28Å; D68-K99 VanDerWaalsContact CG-NZ 3.27Å; D68-K99 IonicContact OD1-NZ 2.6Å; D68-K99 WeakPolarHBondContact OD2-CE 3.11Å; D68-K99 IonicContact OD2-NZ 3.65Å; D68-K99 PolarHBondContact OD2-NZ 3.5Å; S95-K99 WeakPolarHBondContact O-CG 3.41Å; S95-K99 PolarHBondContact O-N 3.47Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-L101 PolarHBondContact O-N 2.89Å; K99-S102 CarbonylContact O-C 3.6Å; K99-S102 PolarHBondContact O-N 3.01Å; K99-C103 VanDerWaalsContact O-CB 3.28Å; K99-C103 WeakPolarHBondContact O-CB 3.43Å; K99-C103 PolarHBondContact O-N 3.48Å
100P86.5Confident87.5Confident59 Ų5945 Ų4538%0.38324%0.242SC..Hα-helixtrans-63-38.7176.122.7-33.6000112L96 L97 S102 C103 C104L96-P100 WeakPolarHBondContact O-CD 3.29Å; L97-P100 VanDerWaalsContact O-CD 3.23Å; L97-P100 WeakPolarHBondContact O-CD 3.48Å; L97-P100 WeakPolarHBondContact O-CG 3.18Å; P100-S102 VanDerWaalsContact C-N 3.3Å; P100-S102 PolarHBondContact O-N 3.45Å; P100-C103 WeakPolarHBondContact O-CB 3.34Å; P100-C103 PolarHBondContact O-N 3.07Å; P100-C104 PolarHBondContact O-N 3.1Å; P100-C104 PolarHBondContact O-SG 3.4Å
101L87.6Confident87.1Confident101 Ų10151.1 Ų51.153%0.52926%0.256SS..Hα-helixtrans-61.2-43.5173.2-64176.5000111L98 K99 C104 F105L98-L101 HydrophobicContact CD1-CD1 4.43Å; L98-L101 PolarHBondContact O-N 2.87Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-L101 PolarHBondContact O-N 2.89Å; L101-C104 WeakPolarHBondContact O-CB 3.17Å; L101-C104 PolarHBondContact O-N 3.43Å; L101-F105 WeakPolarHBondContact O-CD2 3.44Å; L101-F105 PolarHBondContact O-N 3.26Å
102S87.6Confident86.4Confident4 Ų457.2 Ų57.23%0.02828%0.284CS..Hα-helixtrans-69.4-37.4180-58.50000112.5I11 H15 L98 K99 P100 C104 F105 V106I11-S102 WeakPolarHBondContact CG2-OG 3.14Å; H15-S102 PolarHBondContact CE1-OG 2.94Å; H15-S102 PolarHBondContact NE2-OG 3.09Å; L98-S102 WeakPolarHBondContact O-CB 3.02Å; L98-S102 PolarHBondContact O-N 2.98Å; L98-S102 PolarHBondContact O-OG 2.86Å; K99-S102 CarbonylContact O-C 3.6Å; K99-S102 PolarHBondContact O-N 3.01Å; P100-S102 VanDerWaalsContact C-N 3.3Å; P100-S102 PolarHBondContact O-N 3.45Å; S102-C104 VanDerWaalsContact C-N 3.31Å; S102-C104 PolarHBondContact O-N 2.99Å; S102-F105 PolarHBondContact O-N 3.46Å; S102-V106 WeakPolarHBondContact O-CB 3.24Å; S102-V106 WeakPolarHBondContact O-CG2 3.35Å; S102-V106 PolarHBondContact O-N 3.34Å
103C88.3Confident85.6Confident29 Ų2959.9 Ų59.920%0.19629%0.294CS..Hα-helixtrans-57.5-46.1170.8-1760000110.2L58 K99 P100 F105 V106 Y107L58-C103 HydrophobicContact CD1-CB 4.42Å; L58-C103 WeakPolarHBondContact CD1-SG 3.35Å; K99-C103 VanDerWaalsContact O-CB 3.28Å; K99-C103 WeakPolarHBondContact O-CB 3.43Å; K99-C103 PolarHBondContact O-N 3.48Å; P100-C103 WeakPolarHBondContact O-CB 3.34Å; P100-C103 PolarHBondContact O-N 3.07Å; C103-F105 PolarHBondContact O-N 3.47Å; C103-V106 PolarHBondContact O-N 2.84Å; C103-Y107 WeakPolarHBondContact O-CB 3.19Å; C103-Y107 PolarHBondContact O-N 3.44Å
104C86.3Confident84.7Confident75 Ų7559.6 Ų59.651%0.50731%0.307SS..Hα-helixtrans-59.8-47.2174.9-67.30000112.4P100 L101 S102 Y107 H108P100-C104 PolarHBondContact O-N 3.1Å; P100-C104 PolarHBondContact O-SG 3.4Å; L101-C104 WeakPolarHBondContact O-CB 3.17Å; L101-C104 PolarHBondContact O-N 3.43Å; S102-C104 VanDerWaalsContact C-N 3.31Å; S102-C104 PolarHBondContact O-N 2.99Å; C104-Y107 PolarHBondContact O-N 3.3Å; C104-H108 PolarHBondContact O-CD2 2.86Å; C104-H108 PolarHBondContact O-N 2.99Å
105F86.4Confident83.4Confident70 Ų7056 Ų5631%0.30729%0.291SS..Hα-helixtrans-63.6-45.7178.5-73.1-62.6000112.6V6 I11 L101 S102 C103 Y107 H108 M109V6-F105 HydrophobicContact CB-CD1 4.48Å; V6-F105 HydrophobicContact CG2-CD1 4.11Å; V6-F105 HydrophobicContact CG2-CE1 3.85Å; V6-F105 HydrophobicContact CG2-CZ 4.22Å; I11-F105 HydrophobicContact CD1-CB 3.86Å; I11-F105 HydrophobicContact CD1-CG 4.44Å; L101-F105 WeakPolarHBondContact O-CD2 3.44Å; L101-F105 PolarHBondContact O-N 3.26Å; S102-F105 PolarHBondContact O-N 3.46Å; C103-F105 PolarHBondContact O-N 3.47Å; F105-Y107 VanDerWaalsContact C-N 3.29Å; F105-Y107 PolarHBondContact O-N 2.95Å; F105-H108 WeakPolarHBondContact O-CB 3.39Å; F105-H108 PolarHBondContact O-N 3.48Å; F105-M109 PolarHBondContact O-N 3.44Å
106V85.9Confident82.1Confident0 Ų064.4 Ų64.40%033%0.33CS..Hα-helixtrans-64-37.7177.5175.20000110.7L8 I54 F57 L58 L61 S102 C103 M109 Y110L8-V106 HydrophobicContact CD1-CG2 4.03Å; I54-V106 HydrophobicContact CD1-CG1 4.2Å; I54-V106 HydrophobicContact CG1-CG1 3.73Å; F57-V106 HydrophobicContact CD1-CG1 3.87Å; F57-V106 HydrophobicContact CD1-CG2 3.9Å; F57-V106 HydrophobicContact CE1-CG1 4.36Å; F57-V106 HydrophobicContact CE1-CG2 3.52Å; L58-V106 HydrophobicContact CB-CG1 4.15Å; L58-V106 HydrophobicContact CD1-CB 4.19Å; L58-V106 HydrophobicContact CD1-CG1 4.01Å; L61-V106 HydrophobicContact CD1-CG2 4.15Å; S102-V106 WeakPolarHBondContact O-CB 3.24Å; S102-V106 WeakPolarHBondContact O-CG2 3.35Å; S102-V106 PolarHBondContact O-N 3.34Å; C103-V106 PolarHBondContact O-N 2.84Å; V106-M109 PolarHBondContact O-N 2.68Å; V106-Y110 WeakPolarHBondContact O-CB 3.49Å; V106-Y110 PolarHBondContact O-N 3.15Å
107Y84.9Confident80.2Confident60 Ų6066.1 Ų66.124%0.23534%0.339CS..Hα-helixtrans-65.3-40175.9178.4-113.9000112.3L58 C103 C104 F105 Y110 R111 L117L58-Y107 HydrophobicContact CD2-CD2 4.07Å; C103-Y107 WeakPolarHBondContact O-CB 3.19Å; C103-Y107 PolarHBondContact O-N 3.44Å; C104-Y107 PolarHBondContact O-N 3.3Å; F105-Y107 VanDerWaalsContact C-N 3.29Å; F105-Y107 PolarHBondContact O-N 2.95Å; Y107-Y110 HydrophobicContact CD2-CD1 4.21Å; Y107-Y110 HydrophobicContact CE2-CD1 4.22Å; Y107-Y110 WeakPolarHBondContact O-CB 3.4Å; Y107-Y110 PolarHBondContact O-N 3.05Å; Y107-R111 HydrophobicContact CE1-CG 4.22Å; Y107-R111 HydrophobicContact CE2-CG 4.03Å; Y107-R111 WeakPolarHBondContact O-CG 3.32Å; Y107-R111 PolarHBondContact O-N 3.16Å; Y107-L117 HydrophobicContact CD2-CD1 4.29Å; Y107-L117 HydrophobicContact CE2-CB 4.41Å; Y107-L117 HydrophobicContact CE2-CD1 3.45Å; Y107-L117 VanDerWaalsContact CE2-CD1 3.45Å; Y107-L117 HydrophobicContact CE2-CG 4.31Å
108H82.6Confident78.3Confident88 Ų8868 Ų6841%0.40735%0.349SS..Hα-helixtrans-59.6-47.9171.5-93.4-88.1000111.6C104 F105 Y110 R111 E112C104-H108 PolarHBondContact O-CD2 2.86Å; C104-H108 PolarHBondContact O-N 2.99Å; F105-H108 WeakPolarHBondContact O-CB 3.39Å; F105-H108 PolarHBondContact O-N 3.48Å; H108-Y110 VanDerWaalsContact C-N 3.27Å; H108-Y110 PolarHBondContact O-N 2.91Å; H108-R111 PolarHBondContact O-N 3.33Å; H108-R111 VanDerWaalsContact O-N 3.16Å; H108-E112 WeakPolarHBondContact O-CG 3.31Å; H108-E112 PolarHBondContact O-N 2.91Å
109M81.4Confident76.4Confident42 Ų4271.3 Ų71.321%0.20737%0.371CS..Hα-helixtrans-62.1-33.7175.4-68-176.268.700112.8L8 I54 F105 V106 R113L8-M109 HydrophobicContact CB-CE 4.48Å; L8-M109 HydrophobicContact CD1-CE 4.15Å; L8-M109 HydrophobicContact CD1-SD 3.67Å; I54-M109 HydrophobicContact CD1-CB 3.82Å; F105-M109 PolarHBondContact O-N 3.44Å; V106-M109 PolarHBondContact O-N 2.68Å; M109-R113 VanDerWaalsContact O-CG 3.29Å; M109-R113 WeakPolarHBondContact O-CG 3.48Å; M109-R113 PolarHBondContact O-N 3.25Å
110Y81.2Confident74.1Confident25 Ų2579 Ų7910%0.09841%0.407CS..Hα-helixtrans-64.8-43.8174.3172.4-98.7000111.6I51 I54 V106 Y107 H108 R113 G115 E116I51-Y110 HydrophobicContact CG2-CD2 4.32Å; I51-Y110 HydrophobicContact CG2-CE2 3.63Å; I54-Y110 HydrophobicContact CG2-CD2 3.87Å; V106-Y110 WeakPolarHBondContact O-CB 3.49Å; V106-Y110 PolarHBondContact O-N 3.15Å; Y107-Y110 HydrophobicContact CD2-CD1 4.21Å; Y107-Y110 HydrophobicContact CE2-CD1 4.22Å; Y107-Y110 WeakPolarHBondContact O-CB 3.4Å; Y107-Y110 PolarHBondContact O-N 3.05Å; H108-Y110 VanDerWaalsContact C-N 3.27Å; H108-Y110 PolarHBondContact O-N 2.91Å; Y110-R113 PolarHBondContact O-N 3.17Å; Y110-G115 WeakPolarHBondContact CE1-O 3.33Å; Y110-G115 VanDerWaalsContact CZ-CA 3.47Å; Y110-G115 PolarHBondContact O-N 3.01Å; Y110-G115 VanDerWaalsContact O-N 3.15Å; Y110-E116 PolarHBondContact OH-O 3.44Å; Y110-E116 VanDerWaalsContact OH-O 3.1Å
111R79.3Confident72.1Confident156 Ų15682.3 Ų82.359%0.58943%0.426SS*.Hα-helixtrans-65.9-38.8176.8-69.9-172.874.3161.22.4112.7Y107 H108 R113 G114Y107-R111 HydrophobicContact CE1-CG 4.22Å; Y107-R111 HydrophobicContact CE2-CG 4.03Å; Y107-R111 WeakPolarHBondContact O-CG 3.32Å; Y107-R111 PolarHBondContact O-N 3.16Å; H108-R111 PolarHBondContact O-N 3.33Å; H108-R111 VanDerWaalsContact O-N 3.16Å; R111-R113 PolarHBondContact O-N 2.74Å; R111-G114 PolarHBondContact O-N 3.05Å; R111-G114 VanDerWaalsContact O-N 3.15Å
112E78.4Confident70Confident151 Ų15179.7 Ų79.771%0.70642%0.423SS*.Hα-helixtrans-62-28.1176.6-73.7171.3-170.800112.7H108 G114H108-E112 WeakPolarHBondContact O-CG 3.31Å; H108-E112 PolarHBondContact O-N 2.91Å; E112-G114 VanDerWaalsContact C-N 3.25Å; E112-G114 PolarHBondContact O-N 2.93Å
113R71.1Confident68.2Low57 Ų5789.1 Ų89.122%0.21546%0.464CS..THydrogen-bonded Turntrans-84.58.6178-66.9172.4-172.4-165.7-3113.9R48 M109 Y110 R111 G115R48-R113 PolarHBondContact O-NE 3.47Å; R48-R113 VanDerWaalsContact O-NE 3.09Å; R48-R113 PolarHBondContact O-NH1 3.43Å; R48-R113 PolarHBondContact O-NH2 2.97Å; M109-R113 VanDerWaalsContact O-CG 3.29Å; M109-R113 WeakPolarHBondContact O-CG 3.48Å; M109-R113 PolarHBondContact O-N 3.25Å; Y110-R113 PolarHBondContact O-N 3.17Å; R111-R113 PolarHBondContact O-N 2.74Å; R113-G115 VanDerWaalsContact C-N 3.33Å
114G69.7Low66.2Low57 Ų5795.8 Ų95.859%0.58850%0.497SS*.THydrogen-bonded Turntrans76.619.8-177.600000113.7R111 E112 E116R111-G114 PolarHBondContact O-N 3.05Å; R111-G114 VanDerWaalsContact O-N 3.15Å; E112-G114 VanDerWaalsContact C-N 3.25Å; E112-G114 PolarHBondContact O-N 2.93Å; G114-E116 PolarHBondContact O-N 3.27Å
115G64.3Low63.9Low11 Ų1194.5 Ų94.511%0.11350%0.497CS..  trans-66.1103.917000000110.6Y110 R113 L117Y110-G115 WeakPolarHBondContact CE1-O 3.33Å; Y110-G115 VanDerWaalsContact CZ-CA 3.47Å; Y110-G115 PolarHBondContact O-N 3.01Å; Y110-G115 VanDerWaalsContact O-N 3.15Å; R113-G115 VanDerWaalsContact C-N 3.33Å; G115-L117 PolarHBondContact O-N 3.11Å
116E63Low62.3Low177 Ų17797 Ų9783%0.82752%0.52SS*.  trans-67.9115.3162.6-74.1-170.1157.300107.5Y110 G114 L118Y110-E116 PolarHBondContact OH-O 3.44Å; Y110-E116 VanDerWaalsContact OH-O 3.1Å; G114-E116 PolarHBondContact O-N 3.27Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.31Å
117L50.8Low60.5Low68 Ų68102.6 Ų102.636%0.35656%0.559SS.*  trans-59.398.6176.2-177.682.9000108.5Y107 G115 V119 H120Y107-L117 HydrophobicContact CD2-CD1 4.29Å; Y107-L117 HydrophobicContact CE2-CB 4.41Å; Y107-L117 HydrophobicContact CE2-CD1 3.45Å; Y107-L117 VanDerWaalsContact CE2-CD1 3.45Å; Y107-L117 HydrophobicContact CE2-CG 4.31Å; G115-L117 PolarHBondContact O-N 3.11Å; L117-V119 HydrophobicContact CD1-CB 4.28Å; L117-V119 HydrophobicContact CD1-CG2 3.98Å; L117-V119 HydrophobicContact CD2-CB 3.94Å; L117-V119 HydrophobicContact CG-CB 3.83Å; L117-V119 HydrophobicContact CG-CG2 4.03Å; L117-V119 PolarHBondContact O-N 3.32Å; L117-H120 PolarHBondContact O-N 3.06Å; L117-H120 VanDerWaalsContact O-N 3.14Å
118L50.1Low58.8Low145 Ų145108.4 Ų108.476%0.75959%0.588SS**THydrogen-bonded Turntrans-65.528.2172.2-152.5160.8000112.1E116E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.31Å
119V48.3Very low57Low122 Ų122112 Ų11274%0.73961%0.61SS**THydrogen-bonded Turntrans-108.6-10.9170.8-173.10000110.2L117L117-V119 HydrophobicContact CD1-CB 4.28Å; L117-V119 HydrophobicContact CD1-CG2 3.98Å; L117-V119 HydrophobicContact CD2-CB 3.94Å; L117-V119 HydrophobicContact CG-CB 3.83Å; L117-V119 HydrophobicContact CG-CG2 4.03Å; L117-V119 PolarHBondContact O-N 3.32Å
120H42.8Very low55.5Low163 Ų163122.2 Ų122.276%0.75565%0.646SS**SBendtrans-102.6112.3161.7-135.170.5000108.4L117L117-H120 PolarHBondContact O-N 3.06Å; L117-H120 VanDerWaalsContact O-N 3.14Å
121T43.4Very low54.3Low128 Ų128123.8 Ų123.879%0.78567%0.67SS**SBendtrans89.145.2165.5-16.90000118.5
122G45.1Very low53Low46 Ų46120.3 Ų120.347%0.47468%0.675SS.*  trans-135.6-12.2177.200000118.4
123F49Very low51.6Low201 Ų201124.7 Ų124.788%0.88269%0.687SS**SBendtrans-87.6-12.8-179.9-170.4-108.4000113.5
124L46.9Very low50.8Low170 Ų170130 Ų13089%0.8971%0.714SS**SBendtrans-145.465.5175.6-68.9176.7000111.1
125G36.9Very low50.1Low48 Ų48133.4 Ų133.450%0.49572%0.724SS.*  trans-164.1116.617300000111.3
126P54Low49.9Very low123 Ų123140.3 Ų140.380%0.79976%0.756SS**  trans-77.2153.5166.232.4-29.2000109.5
127S47.7Very low49.6Very low117 Ų117138.4 Ų138.482%0.81875%0.752SS**  trans101.1136169.9-43.20000113.5
128Q48.4Very low49.8Very low182 Ų182141.3 Ų141.385%0.8578%0.778SS**  cis-151.8129.432.3-158.3165.930.600109.3R130Q128-R130 PolarHBondContact O-N 3.4Å; Q128-R130 VanDerWaalsContact O-N 3.11Å
129D44.3Very low49.7Very low163 Ų163139.6 Ų139.687%0.87279%0.785SS**  trans-44.9116.3166.6-127.2-28000108.9G131D129-G131 PolarHBondContact O-N 3.33Å
130R51.5Low49.7Very low256 Ų256143.1 Ų143.197%0.96679%0.793SS**  trans-78.857.5178.8-163.4178.6178.6116.2-3.3108.9Q128Q128-R130 PolarHBondContact O-N 3.4Å; Q128-R130 VanDerWaalsContact O-N 3.11Å
131G56.3Low49.9Very low58 Ų58139.5 Ų139.560%0.59879%0.791SS**  trans-104.2135.4174.500000110.8D129D129-G131 PolarHBondContact O-N 3.33Å
132A50.5Low50.1Low84 Ų84139.5 Ų139.569%0.69479%0.793SS**  trans76.278.416600000117.9
133Y49Very low50.3Low243 Ų243141.7 Ų141.795%0.95381%0.807SS**  -86.993.1128.9-96.4-88.2000107.2
134Q54.3Low50.3Low167 Ų167138.4 Ų138.478%0.7880%0.799SS**  trans-70.1131.4165.5-92.6174.8-41.900108.8I136Q134-I136 PolarHBondContact O-N 3.01Å
135T56.4Low50.5Low129 Ų129135.3 Ų135.379%0.79179%0.789SS**  trans-57.1110.4173.7-51.70000110.6D137T135-D137 VanDerWaalsContact C-N 3.3Å; T135-D137 PolarHBondContact O-N 2.85Å
136I58.3Low51Low156 Ų156141 Ų14180%0.880%0.8SS**  trans-82.584.3164.3-55171000105.6Q134Q134-I136 PolarHBondContact O-N 3.01Å
137D57.2Low50.9Low138 Ų138139.7 Ų139.774%0.73880%0.8SS**  trans176.691.3156.7-89.9-21.6000108.8T135T135-D137 VanDerWaalsContact C-N 3.3Å; T135-D137 PolarHBondContact O-N 2.85Å
138S54.6Low50.8Low129 Ų129139.9 Ų139.990%0.90280%0.796SS**  trans-169.879.4155.7-790000109.3
139A48.3Very low50.9Low108 Ų108136.3 Ų136.389%0.89379%0.789SS**  trans-145.27215700000109.7
140E48.1Very low50.7Low196 Ų196138 Ų13892%0.91679%0.791SS**  trans-138.4124.1156.8-162.7125.5-14800104.2
141A47.8Very low50Low87 Ų87129.1 Ų129.172%0.71978%0.78SS**  cis-168.5-174.744.200000107.6
142P46.7Very low49Very low128 Ų128138.8 Ų138.883%0.83180%0.798SS**  cis-141175.216.535.9-11.9000117.4
143A51Low48.4Very low92 Ų92138.2 Ų138.276%0.7680%0.801SS**  trans-51.6137.7179.800000115.3
144D48.4Very low48Very low132 Ų132136.4 Ų136.471%0.70680%0.801SS**  trans-85.7120.4169.8-158.8-11.4000110.1F146D144-F146 VanDerWaalsContact C-N 3.27Å; D144-F146 PolarHBondContact O-N 3.19Å
145P50.9Low47.3Very low106 Ų106136.3 Ų136.369%0.68881%0.806SS**SBendtrans-77.31.7-174.1-13.429.4000115.7
146F47.9Very low46.6Very low166 Ų166135 Ų13573%0.72881%0.808SS**  trans-113.543.6-170.4-67.4-79.4000114.4D144 V148D144-F146 VanDerWaalsContact C-N 3.27Å; D144-F146 PolarHBondContact O-N 3.19Å; F146-V148 PolarHBondContact O-N 3.26Å
147A51Low45.7Very low97 Ų97139.6 Ų139.680%0.80282%0.815SS**  trans-67.894.8161.500000109.7
148V45.3Very low45.3Very low121 Ų121136.6 Ų136.673%0.73382%0.817SS**  trans-107.8113.4166.8-179.60000108.3F146F146-V148 PolarHBondContact O-N 3.26Å
149P50.8Low44.8Very low106 Ų106145.1 Ų145.169%0.68883%0.831SS**  trans-89.4157.5162.232-22.9000110.5
150E39.6Very low44.6Very low199 Ų199147 Ų14793%0.9383%0.828SS**  trans94.2136.6-178.7-57.7-175144.100114.8
151G37.3Very low44.4Very low70 Ų70144.4 Ų144.472%0.72282%0.824SS**  cis159.2152.66.500000109.1
152R35.2Very low44.2Very low260 Ų260147.6 Ų147.698%0.98183%0.83SS**  trans74.4128.5168.6-78-179.1169.6170.4-1.7120.6
153G37.8Very low44.1Very low73 Ų73148.8 Ų148.875%0.75383%0.83SS**  trans129.668.7137.400000117.3D155G153-D155 PolarHBondContact O-N 3.34Å
154Q40.9Very low43.6Very low204 Ų204152.3 Ų152.395%0.95383%0.834SS**  trans-82.3105.6158.6-89.3177.5-33.100109
155D40.3Very low43.3Very low166 Ų166153.7 Ų153.789%0.88884%0.842SS**  trans-87.9123165-83.9-33.3000109.8G153G153-D155 PolarHBondContact O-N 3.34Å
156A41.4Very low42.8Very low101 Ų101157.1 Ų157.184%0.83585%0.853SS**  trans-14986.4160.100000109.9
157R39.7Very low42.4Very low252 Ų252156.4 Ų156.495%0.95186%0.863SS**  trans-116.4104.7157.6-88.9-173.5173.1174.5-1.3107.9
158G47.5Very low41.7Very low75 Ų75161.3 Ų161.377%0.77387%0.868SS**  trans-95.9144.5164.300000109.9
159Y44.1Very low41.3Very low309 Ų309165 Ų165100%1.21288%0.88SS**  trans-61.90179.7-72.3-93.5000113.9

Retrieved 159 of 159 residues in 136.3 ms (Link to these results)

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