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Annexin B22

Involved in reproduction of the worm (By similarity). Involved in host-parasite interaction (By similarity). Delivered into the host cell by means of parasite exosomes (By similarity). Binds to acidic phospholipid membranes in a calcium-dependent manner in vitro1. Causes aggregation of liposomes in the presence of calcium, but not in its absence2. Likely to promote membrane fusion3. May provide structural integrity within the tegument4.

AlphaFold DB , UniProt , Accession C4QH88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 365 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.4Very low83.8Confident240 Ų24071.3 Ų71.3100%1.18242%0.421SS*.  0128.30-65.2177.8-15800106.4N3M1-N3 PolarHBondContact O-N 3.33Å
2A56.8Low85Confident104 Ų10468.5 Ų68.586%0.8641%0.409SS*.  trans-63.3131.5173.400000108.3
3N72.2Confident86Confident113 Ų11366.2 Ų66.260%0.60439%0.393SS*.  trans-61.6144.8174.2-75.7-26000109.1M1 S5M1-N3 PolarHBondContact O-N 3.33Å; N3-S5 VanDerWaalsContact CB-O 3.23Å; N3-S5 WeakPolarHBondContact CB-O 3.46Å; N3-S5 PolarHBondContact O-N 3.23Å
4I89.2Confident86.9Confident49 Ų4961.5 Ų61.525%0.25137%0.365SS..SBendtrans-62.9-27.5178.5-161.1173.5000112.8Y67 Q70 E71 Q74I4-Y67 HydrophobicContact CG2-CD2 3.62Å; I4-Y67 HydrophobicContact CG2-CE2 3.33Å; I4-Y67 HydrophobicContact CG2-CG 4.48Å; I4-Q70 HydrophobicContact CD1-CB 4.42Å; I4-Q70 WeakPolarHBondContact CD1-O 3.08Å; I4-Q70 HydrophobicContact CG1-CB 4.17Å; I4-Q70 HydrophobicContact CG2-CB 4.27Å; I4-E71 HydrophobicContact CD1-CB 4.24Å; I4-E71 HydrophobicContact CD1-CG 3.81Å; I4-E71 HydrophobicContact CG2-CG 4.26Å; I4-Q74 HydrophobicContact CD1-CB 3.77Å; I4-Q74 HydrophobicContact CD1-CG 4.37Å; I4-Q74 VanDerWaalsContact CD1-OE1 3.27Å
5S93.4Very high87.6Confident0 Ų057.5 Ų57.50%034%0.341CS..SBendtrans-116.4140.4171.8168.70000109.3N3 F7 G8 N66 D106N3-S5 VanDerWaalsContact CB-O 3.23Å; N3-S5 WeakPolarHBondContact CB-O 3.46Å; N3-S5 PolarHBondContact O-N 3.23Å; S5-F7 PolarHBondContact O-N 3.34Å; S5-F7 VanDerWaalsContact O-N 3.12Å; S5-F7 PolarHBondContact OG-N 3.33Å; S5-F7 VanDerWaalsContact OG-N 3.16Å; S5-G8 PolarHBondContact O-N 3.08Å; S5-N66 PolarHBondContact OG-ND2 2.93Å; S5-D106 WeakPolarHBondContact CA-OD2 3.43Å; S5-D106 VanDerWaalsContact CB-OD1 3.25Å; S5-D106 WeakPolarHBondContact CB-OD1 3.37Å; S5-D106 PolarHBondContact OG-OD1 3.37Å
6G93.1Very high88.3Confident46 Ų4656 Ų5647%0.47433%0.334SS..THydrogen-bonded Turntrans-61.1-16.117300000113.9D106 A143G6-D106 PolarHBondContact N-OD2 2.75Å; G6-A143 WeakPolarHBondContact O-CB 3.44Å
7F95.8Very high88.9Confident26 Ų2653 Ų5311%0.11432%0.316CS..THydrogen-bonded Turntrans-96.5-6174.4-77.75.3000113.9S5 T10 R11 T107 P108 L111 L136 E140 A143 V144S5-F7 PolarHBondContact O-N 3.34Å; S5-F7 VanDerWaalsContact O-N 3.12Å; S5-F7 PolarHBondContact OG-N 3.33Å; S5-F7 VanDerWaalsContact OG-N 3.16Å; F7-T10 VanDerWaalsContact O-O 3.05Å; F7-R11 VanDerWaalsContact CD2-CD 3.41Å; F7-T107 HydrophobicContact CD2-CG2 3.83Å; F7-T107 HydrophobicContact CE2-CG2 3.42Å; F7-T107 VanDerWaalsContact CE2-CG2 3.42Å; F7-T107 HydrophobicContact CZ-CG2 4.28Å; F7-P108 HydrophobicContact CD1-CB 4.03Å; F7-P108 HydrophobicContact CD1-CG 3.92Å; F7-P108 HydrophobicContact CE1-CB 3.65Å; F7-P108 HydrophobicContact CE1-CG 4.06Å; F7-P108 HydrophobicContact CG-CG 4.43Å; F7-P108 HydrophobicContact CZ-CB 4.23Å; F7-L111 HydrophobicContact CE2-CD1 4.39Å; F7-L111 HydrophobicContact CZ-CD1 4.22Å; F7-L136 HydrophobicContact CE2-CD2 4.45Å; F7-L136 HydrophobicContact CZ-CD2 3.73Å; F7-E140 HydrophobicContact CD1-CB 4.23Å; F7-E140 HydrophobicContact CD1-CG 4.28Å; F7-E140 HydrophobicContact CE1-CB 3.65Å; F7-E140 HydrophobicContact CE1-CG 4.15Å; F7-E140 WeakPolarHBondContact CE1-O 3.41Å; F7-E140 HydrophobicContact CE2-CB 4.41Å; F7-E140 HydrophobicContact CE2-CG 4.47Å; F7-E140 HydrophobicContact CZ-CB 3.74Å; F7-E140 HydrophobicContact CZ-CG 4.24Å; F7-A143 HydrophobicContact CD1-CB 3.86Å; F7-A143 HydrophobicContact CE1-CB 3.88Å; F7-V144 HydrophobicContact CE1-CG2 4.07Å; F7-V144 HydrophobicContact CZ-CG2 3.94Å
8G94.4Very high89.4Confident9 Ų951.7 Ų51.79%0.09331%0.307CS..  trans75.5-158.4-172.600000113.1S5 Y67S5-G8 PolarHBondContact O-N 3.08Å; G8-Y67 WeakPolarHBondContact O-CD2 3.42Å
9I95.3Very high89.9Confident105 Ų10549.8 Ų49.854%0.53830%0.297SS..SBendtrans-68.4-35.6-173.1-59.1170.8000112.1Y67I9-Y67 HydrophobicContact CB-CD2 4.33Å; I9-Y67 HydrophobicContact CB-CE2 4.44Å; I9-Y67 HydrophobicContact CB-CG 4.4Å; I9-Y67 HydrophobicContact CG1-CD2 4.13Å; I9-Y67 HydrophobicContact CG1-CE1 4.21Å; I9-Y67 HydrophobicContact CG1-CE2 3.74Å; I9-Y67 HydrophobicContact CG1-CG 4.49Å; I9-Y67 HydrophobicContact CG2-CD1 4.28Å; I9-Y67 HydrophobicContact CG2-CG 4.42Å; I9-Y67 WeakPolarHBondContact O-CB 3.33Å
10T96.1Very high90.3Very high73 Ų7353.9 Ų53.945%0.44831%0.312SS..SBendtrans-136.1163.7-179.165.70000109.9F7F7-T10 VanDerWaalsContact O-O 3.05Å
11R97.8Very high90.6Very high19 Ų1951.8 Ų51.87%0.07230%0.302CS..SBendtrans-56.7158.3159.1-63.1-63.3-52.4-88.5-1.4110.4F7 L13 T135 E140 I320F7-R11 VanDerWaalsContact CD2-CD 3.41Å; R11-L13 PolarHBondContact O-N 3.03Å; R11-T135 PolarHBondContact NH2-O 3.33Å; R11-E140 IonicContact CZ-OE1 3.1Å; R11-E140 IonicContact CZ-OE2 2.64Å; R11-E140 IonicContact NE-OE1 3.72Å; R11-E140 PolarHBondContact NE-OE1 3.1Å; R11-E140 IonicContact NE-OE2 2.81Å; R11-E140 IonicContact NH2-OE1 2.68Å; R11-E140 PolarHBondContact NH2-OE1 2.59Å; R11-E140 VanDerWaalsContact NH2-OE1 3.14Å; R11-E140 IonicContact NH2-OE2 3.18Å; R11-E140 PolarHBondContact NH2-OE2 3.33Å; R11-I320 HydrophobicContact CB-CD1 4.15Å; R11-I320 HydrophobicContact CB-CG1 4.15Å; R11-I320 HydrophobicContact CG-CD1 3.91Å; R11-I320 HydrophobicContact CG-CG1 3.99Å
12S97.4Very high93.5Very high38 Ų3846.3 Ų46.327%0.26627%0.271SS..  trans-56134.8179176.90000111.1I14 H15 E140S12-I14 PolarHBondContact O-N 3.42Å; S12-I14 WeakPolarHBondContact OG-CG2 3.49Å; S12-I14 PolarHBondContact OG-N 3.23Å; S12-H15 PolarHBondContact O-CD2 3.36Å; S12-H15 PolarHBondContact O-N 3.34Å; S12-H15 VanDerWaalsContact O-N 3.1Å; S12-E140 PolarHBondContact N-OE1 2.7Å
13L97.9Very high95.5Very high39 Ų3946.2 Ų46.220%0.20425%0.253CS..G310 helixtrans-61.7-15.8178.8-87.174.4000112.7R11 H15 S16 L196 K197R11-L13 PolarHBondContact O-N 3.03Å; L13-H15 PolarHBondContact O-N 3.48Å; L13-H15 VanDerWaalsContact O-N 3.15Å; L13-S16 WeakPolarHBondContact O-CB 3.5Å; L13-S16 PolarHBondContact O-N 3.31Å; L13-L196 HydrophobicContact CB-CB 3.98Å; L13-L196 HydrophobicContact CB-CD1 3.89Å; L13-L196 HydrophobicContact CD2-CB 4.45Å; L13-K197 HydrophobicContact CD2-CG 3.52Å
14I98.4Very high96.7Very high0 Ų041.7 Ų41.70%023%0.227CC..G310 helixtrans-60.3-24.4175.7-153.5177.9000112S12 W137 L196 T243 Y245S12-I14 PolarHBondContact O-N 3.42Å; S12-I14 WeakPolarHBondContact OG-CG2 3.49Å; S12-I14 PolarHBondContact OG-N 3.23Å; I14-W137 HydrophobicContact CD1-CD2 3.56Å; I14-W137 HydrophobicContact CD1-CE3 4.06Å; I14-W137 HydrophobicContact CD1-CG 4.05Å; I14-W137 HydrophobicContact CD1-CH2 4.04Å; I14-W137 HydrophobicContact CD1-CZ2 3.54Å; I14-W137 HydrophobicContact CD1-CZ3 4.25Å; I14-W137 HydrophobicContact CG2-CB 3.9Å; I14-W137 HydrophobicContact CG2-CD2 3.95Å; I14-W137 HydrophobicContact CG2-CE3 4.21Å; I14-W137 HydrophobicContact CG2-CG 3.77Å; I14-L196 HydrophobicContact CB-CD1 4.28Å; I14-L196 HydrophobicContact CB-CD2 4.44Å; I14-L196 HydrophobicContact CG1-CD2 4.31Å; I14-T243 HydrophobicContact CD1-CG2 4.32Å; I14-Y245 HydrophobicContact CG1-CE2 3.9Å; I14-Y245 PolarHBondContact O-OH 3.37Å
15H98.6Very high97.2Very high1 Ų143.8 Ų43.81%0.00523%0.232CC..G310 helixtrans-87.9-10.6177.6-54.6-64.1000113.4S12 L13 F17 Y24 E140 Y284 R288 I320S12-H15 PolarHBondContact O-CD2 3.36Å; S12-H15 PolarHBondContact O-N 3.34Å; S12-H15 VanDerWaalsContact O-N 3.1Å; L13-H15 PolarHBondContact O-N 3.48Å; L13-H15 VanDerWaalsContact O-N 3.15Å; H15-F17 PolarHBondContact O-N 3.22Å; H15-Y24 WeakPolarHBondContact O-CD2 3.48Å; H15-E140 IonicContact CD2-OE1 3.5Å; H15-E140 IonicContact CD2-OE2 2.73Å; H15-E140 IonicContact CE1-OE2 2.69Å; H15-E140 IonicContact NE2-OE1 3.53Å; H15-E140 IonicContact NE2-OE2 3.55Å; H15-E140 PolarHBondContact NE2-OE2 2.66Å; H15-Y284 AromaticContact ND1-CE1 3.57Å; H15-Y284 AromaticContact ND1-CZ 3.65Å; H15-Y284 PolarHBondContact ND1-OH 2.9Å; H15-R288 PolarHBondContact O-NH1 2.99Å; H15-I320 HydrophobicContact CB-CG2 4Å
16S98.3Very high97.4Very high34 Ų3445.2 Ų45.224%0.23824%0.241CC..SBendtrans-81.6-10-165.5-61.60000115.6L13 H23 Y24L13-S16 WeakPolarHBondContact O-CB 3.5Å; L13-S16 PolarHBondContact O-N 3.31Å; S16-H23 WeakPolarHBondContact O-CA 3.49Å; S16-Y24 PolarHBondContact O-N 3.4Å
17F98.5Very high97.7Very high5 Ų543.9 Ų43.92%0.02222%0.224CC..BIsolated β-bridgetrans-126.6144.1-175.1-52.5-85.6000111.6H15 G21 K22 H23 Y24 L196 I199 P200 Y245H15-F17 PolarHBondContact O-N 3.22Å; F17-G21 WeakPolarHBondContact CD1-O 3.48Å; F17-K22 CarbonylContact C-O 3.57Å; F17-K22 VanDerWaalsContact CA-O 3.32Å; F17-K22 WeakPolarHBondContact CA-O 3.23Å; F17-H23 AromaticContact CD1-CE1 3.97Å; F17-H23 AromaticContact CD1-ND1 3.83Å; F17-H23 AromaticContact CE1-CD2 3.79Å; F17-H23 AromaticContact CE1-CE1 3.09Å; F17-H23 WeakPolarHBondContact CE1-CE1 3.49Å; F17-H23 AromaticContact CE1-CG 3.85Å; F17-H23 AromaticContact CE1-ND1 3.42Å; F17-H23 WeakPolarHBondContact CE1-ND1 3.37Å; F17-H23 AromaticContact CE1-NE2 3.34Å; F17-H23 VanDerWaalsContact CE1-NE2 3.34Å; F17-H23 WeakPolarHBondContact CE1-NE2 3.35Å; F17-H23 AromaticContact CZ-CE1 3.41Å; F17-H23 VanDerWaalsContact CZ-CE1 3.41Å; F17-H23 WeakPolarHBondContact CZ-CE1 3.49Å; F17-H23 AromaticContact CZ-ND1 4Å; F17-H23 AromaticContact CZ-NE2 3.91Å; F17-Y24 VanDerWaalsContact C-CD2 3.41Å; F17-Y24 WeakPolarHBondContact O-CE2 3.31Å; F17-L196 VanDerWaalsContact CE2-O 3.27Å; F17-L196 WeakPolarHBondContact CE2-O 3.46Å; F17-L196 WeakPolarHBondContact CZ-O 3.33Å; F17-I199 HydrophobicContact CB-CG2 4.41Å; F17-I199 HydrophobicContact CD1-CB 4.33Å; F17-I199 HydrophobicContact CD1-CG2 3.92Å; F17-I199 HydrophobicContact CD2-CB 4.4Å; F17-I199 HydrophobicContact CD2-CD1 3.53Å; F17-I199 HydrophobicContact CD2-CG2 4.48Å; F17-I199 HydrophobicContact CE1-CB 4.23Å; F17-I199 HydrophobicContact CE1-CG2 4.27Å; F17-I199 HydrophobicContact CE2-CB 4.31Å; F17-I199 HydrophobicContact CE2-CD1 3.84Å; F17-I199 HydrophobicContact CG-CB 4.39Å; F17-I199 HydrophobicContact CG-CD1 4.04Å; F17-I199 HydrophobicContact CG-CG2 4.02Å; F17-I199 HydrophobicContact CZ-CB 4.22Å; F17-P200 HydrophobicContact CE1-CG 3.63Å; F17-P200 HydrophobicContact CZ-CG 4.18Å; F17-Y245 HydrophobicContact CB-CE1 3.92Å
18D98.4Very high97.8Very high30 Ų3042.9 Ų42.916%0.1622%0.22CC..  trans-72.4173.1169.380.65.1000111H20 G21 K22 Y24D18-H20 PolarHBondContact O-N 3.35Å; D18-H20 WeakPolarHBondContact OD1-CA 3.48Å; D18-H20 WeakPolarHBondContact OD1-CB 3.3Å; D18-H20 PolarHBondContact OD1-N 2.77Å; D18-G21 PolarHBondContact O-N 2.9Å; D18-G21 PolarHBondContact OD1-N 3.25Å; D18-K22 PolarHBondContact N-O 2.78Å; D18-K22 PolarHBondContact OD1-N 3.22Å; D18-K22 WeakPolarHBondContact OD2-CB 2.88Å; D18-Y24 VanDerWaalsContact CA-CE2 3.48Å; D18-Y24 HydrophobicContact CB-CE1 3.99Å; D18-Y24 HydrophobicContact CB-CE2 3.99Å
19P98.3Very high98Very high16 Ų1649.2 Ų49.210%0.10425%0.245CC..THydrogen-bonded Turntrans-58.2-18.8-179.2-28.137.3000115.7Y248 A285P19-Y248 HydrophobicContact CB-CD1 3.78Å; P19-Y248 HydrophobicContact CB-CD2 3.34Å; P19-Y248 HydrophobicContact CB-CE1 4.13Å; P19-Y248 HydrophobicContact CB-CE2 3.7Å; P19-Y248 HydrophobicContact CB-CG 3.39Å; P19-Y248 HydrophobicContact CG-CD2 3.67Å; P19-Y248 HydrophobicContact CG-CE2 4.12Å; P19-Y248 HydrophobicContact CG-CG 4.11Å; P19-A285 WeakPolarHBondContact CG-O 3.33Å
20H98Very high98.1Very high131 Ų13147.9 Ų47.961%0.60624%0.243SC*.THydrogen-bonded Turntrans-100.92.3-178.7-55-65.4000112.6D18 Y248D18-H20 PolarHBondContact O-N 3.35Å; D18-H20 WeakPolarHBondContact OD1-CA 3.48Å; D18-H20 WeakPolarHBondContact OD1-CB 3.3Å; D18-H20 PolarHBondContact OD1-N 2.77Å; H20-Y248 AromaticContact CE1-CZ 3.64Å; H20-Y248 PolarHBondContact CE1-OH 3.14Å
21G97.4Very high98.2Very high9 Ų946.6 Ų46.69%0.09324%0.235CC..SBendtrans858.7176.800000114.1F17 D18 I199F17-G21 WeakPolarHBondContact CD1-O 3.48Å; D18-G21 PolarHBondContact O-N 2.9Å; D18-G21 PolarHBondContact OD1-N 3.25Å; G21-I199 VanDerWaalsContact CA-CG2 3.43Å
22K97.9Very high98.2Very high126 Ų12652.8 Ų52.855%0.54828%0.275SS..PPolyproline II helixtrans-78.9140.5172.1178-171173.7-166.70108.8F17 D18 Y24F17-K22 CarbonylContact C-O 3.57Å; F17-K22 VanDerWaalsContact CA-O 3.32Å; F17-K22 WeakPolarHBondContact CA-O 3.23Å; D18-K22 PolarHBondContact N-O 2.78Å; D18-K22 PolarHBondContact OD1-N 3.22Å; D18-K22 WeakPolarHBondContact OD2-CB 2.88Å; K22-Y24 PolarHBondContact O-N 3.16Å
23H98.3Very high98.1Very high102 Ų10254.6 Ų54.647%0.47230%0.3SS..BIsolated β-bridgetrans-61.3128.6175.3-86.1-72.3000111.5S16 F17S16-H23 WeakPolarHBondContact O-CA 3.49Å; F17-H23 AromaticContact CD1-CE1 3.97Å; F17-H23 AromaticContact CD1-ND1 3.83Å; F17-H23 AromaticContact CE1-CD2 3.79Å; F17-H23 AromaticContact CE1-CE1 3.09Å; F17-H23 WeakPolarHBondContact CE1-CE1 3.49Å; F17-H23 AromaticContact CE1-CG 3.85Å; F17-H23 AromaticContact CE1-ND1 3.42Å; F17-H23 WeakPolarHBondContact CE1-ND1 3.37Å; F17-H23 AromaticContact CE1-NE2 3.34Å; F17-H23 VanDerWaalsContact CE1-NE2 3.34Å; F17-H23 WeakPolarHBondContact CE1-NE2 3.35Å; F17-H23 AromaticContact CZ-CE1 3.41Å; F17-H23 VanDerWaalsContact CZ-CE1 3.41Å; F17-H23 WeakPolarHBondContact CZ-CE1 3.49Å; F17-H23 AromaticContact CZ-ND1 4Å; F17-H23 AromaticContact CZ-NE2 3.91Å
24Y98.7Very high98.1Very high17 Ų1755 Ų557%0.06730%0.3CS..PPolyproline II helixtrans-62.9150.5158.9-77.4-63.3000110.2H15 S16 F17 D18 K22 P26 R288 P289 D321 D324H15-Y24 WeakPolarHBondContact O-CD2 3.48Å; S16-Y24 PolarHBondContact O-N 3.4Å; F17-Y24 VanDerWaalsContact C-CD2 3.41Å; F17-Y24 WeakPolarHBondContact O-CE2 3.31Å; D18-Y24 VanDerWaalsContact CA-CE2 3.48Å; D18-Y24 HydrophobicContact CB-CE1 3.99Å; D18-Y24 HydrophobicContact CB-CE2 3.99Å; K22-Y24 PolarHBondContact O-N 3.16Å; Y24-P26 WeakPolarHBondContact O-CD 3.45Å; Y24-R288 VanDerWaalsContact CE2-CZ 3.44Å; Y24-P289 HydrophobicContact CE1-CG 3.92Å; Y24-D321 HydrophobicContact CD1-CB 3.81Å; Y24-D321 HydrophobicContact CD2-CB 4.42Å; Y24-D321 HydrophobicContact CG-CB 3.72Å; Y24-D324 WeakPolarHBondContact CA-OD2 3.38Å; Y24-D324 HydrophobicContact CD1-CB 4.16Å; Y24-D324 WeakPolarHBondContact CD1-OD2 3.5Å
25R98.7Very high98.1Very high94 Ų9457.2 Ų57.236%0.35532%0.315SS..  trans-107.1109.4-171.6-65.4179.7-68.3154.9-0.2109.7I320 D321 L322 Q323 D324 D327R25-I320 CarbonylContact C-O 3.57Å; R25-D321 CarbonylContact O-C 3.3Å; R25-D321 VanDerWaalsContact O-C 3.3Å; R25-D321 WeakPolarHBondContact O-CA 3.4Å; R25-L322 PolarHBondContact O-N 3.47Å; R25-Q323 HydrophobicContact CB-CB 3.78Å; R25-Q323 HydrophobicContact CB-CG 4.27Å; R25-Q323 VanDerWaalsContact O-CB 3.23Å; R25-Q323 WeakPolarHBondContact O-CB 3.43Å; R25-Q323 PolarHBondContact O-N 2.83Å; R25-D324 WeakPolarHBondContact CB-OD2 3.24Å; R25-D324 IonicContact CZ-OD1 3.47Å; R25-D324 PolarHBondContact N-OD2 3.42Å; R25-D324 IonicContact NE-OD1 3.93Å; R25-D324 PolarHBondContact NE-OD1 2.99Å; R25-D324 IonicContact NE-OD2 3.63Å; R25-D324 IonicContact NH2-OD1 3.47Å; R25-D324 PolarHBondContact NH2-OD1 3.12Å; R25-D327 IonicContact CZ-OD2 2.71Å; R25-D327 VanDerWaalsContact CZ-OD2 3.31Å; R25-D327 IonicContact NH1-OD2 2.85Å; R25-D327 PolarHBondContact NH1-OD2 3.5Å; R25-D327 VanDerWaalsContact NH1-OD2 3.1Å; R25-D327 IonicContact NH2-OD2 3.33Å; R25-D327 PolarHBondContact NH2-OD2 2.89Å
26P98.7Very high98.1Very high29 Ų2958 Ų5819%0.18832%0.322CS..  trans-81.8156.9171.834.3-37.5000111.3Y24 I28 K29 S318 I320Y24-P26 WeakPolarHBondContact O-CD 3.45Å; P26-I28 WeakPolarHBondContact CB-O 3.36Å; P26-K29 HydrophobicContact CG-CD 4.31Å; P26-K29 HydrophobicContact CG-CG 3.64Å; P26-S318 CarbonylContact C-O 3.59Å; P26-S318 VanDerWaalsContact CB-O 3.24Å; P26-S318 WeakPolarHBondContact CB-O 3.29Å; P26-I320 WeakPolarHBondContact CD-O 3.31Å
27T98.8Very high98.1Very high18 Ų1858.8 Ų58.811%0.1133%0.328CS..SBendtrans-88.5-17.817155.80000112.6R63 S318 L322 Q323 M326 L356T27-R63 PolarHBondContact O-NH1 3.37Å; T27-S318 PolarHBondContact N-O 2.74Å; T27-S318 WeakPolarHBondContact OG1-CA 3.06Å; T27-S318 WeakPolarHBondContact OG1-CB 3.18Å; T27-S318 PolarHBondContact OG1-O 3.2Å; T27-L322 HydrophobicContact CG2-CB 3.97Å; T27-L322 HydrophobicContact CG2-CD2 4.08Å; T27-L322 HydrophobicContact CG2-CG 3.95Å; T27-Q323 HydrophobicContact CG2-CB 4.3Å; T27-M326 HydrophobicContact CG2-SD 3.86Å; T27-L356 VanDerWaalsContact CB-O 3.28Å; T27-L356 WeakPolarHBondContact CB-O 3.46Å; T27-L356 PolarHBondContact OG1-O 2.95Å
28I98.6Very high98.1Very high5 Ų559.7 Ų59.73%0.02634%0.336CS..  trans-124.5122.9174.4-58.3179.4000108.6P26 A62 T65 S318 L356P26-I28 WeakPolarHBondContact CB-O 3.36Å; I28-A62 WeakPolarHBondContact CD1-O 3.34Å; I28-T65 HydrophobicContact CG2-CG2 4.12Å; I28-S318 PolarHBondContact N-O 3.2Å; I28-L356 HydrophobicContact CD1-CD2 3.8Å
29K98.1Very high98.1Very high142 Ų14258.4 Ų58.462%0.61733%0.329SS*.  trans-115.9158.7172.3-67.6-178.5176.9-178.80108.7P26 T31P26-K29 HydrophobicContact CG-CD 4.31Å; P26-K29 HydrophobicContact CG-CG 3.64Å; K29-T31 PolarHBondContact O-N 3.16Å
30P97.7Very high98.1Very high78 Ų7857.7 Ų57.751%0.50632%0.324SS..  trans-48.6129.8168-26.434.4000110.8T32 T65P30-T32 PolarHBondContact O-N 3.29Å; P30-T65 HydrophobicContact CG-CG2 4.15Å
31T98Very high98.1Very high46 Ų4655.1 Ų55.128%0.28231%0.313SS..  trans-78.5115-174.1-55.90000109.2K29 G33 F34 E68K29-T31 PolarHBondContact O-N 3.16Å; T31-G33 PolarHBondContact O-N 2.83Å; T31-F34 VanDerWaalsContact O-CB 3.27Å; T31-F34 WeakPolarHBondContact O-CB 3.39Å; T31-F34 PolarHBondContact O-N 3.24Å; T31-E68 WeakPolarHBondContact CB-OE1 3.47Å; T31-E68 PolarHBondContact N-OE1 3.41Å
32T96.5Very high98.2Very high149 Ų14960 Ų6091%0.91433%0.328SS*.THydrogen-bonded Turntrans-59.2124.1172-54.40000109.8P30P30-T32 PolarHBondContact O-N 3.29Å
33G97Very high98.2Very high75 Ų7554 Ų5477%0.77330%0.302SS*.THydrogen-bonded Turntrans77.921.9-17500000114.2T31 S35T31-G33 PolarHBondContact O-N 2.83Å; G33-S35 PolarHBondContact O-N 3.41Å
34F98.1Very high98.1Very high49 Ų4951.4 Ų51.422%0.21529%0.29CS..  trans-50.1135.5172.5173.2-114.2000112.1T31 A36 E68 E71 I72T31-F34 VanDerWaalsContact O-CB 3.27Å; T31-F34 WeakPolarHBondContact O-CB 3.39Å; T31-F34 PolarHBondContact O-N 3.24Å; F34-A36 HydrophobicContact CE1-CB 3.86Å; F34-A36 HydrophobicContact CZ-CB 3.65Å; F34-E68 HydrophobicContact CD1-CG 3.89Å; F34-E68 HydrophobicContact CD2-CB 4.18Å; F34-E68 HydrophobicContact CD2-CG 3.95Å; F34-E68 HydrophobicContact CE1-CB 4.11Å; F34-E68 HydrophobicContact CE1-CG 3.95Å; F34-E68 HydrophobicContact CE2-CB 3.77Å; F34-E68 HydrophobicContact CE2-CG 4.02Å; F34-E68 HydrophobicContact CG-CG 3.89Å; F34-E68 HydrophobicContact CZ-CB 3.72Å; F34-E68 HydrophobicContact CZ-CG 4Å; F34-E68 WeakPolarHBondContact CZ-O 3.35Å; F34-E71 HydrophobicContact CE1-CB 3.89Å; F34-E71 HydrophobicContact CE1-CG 4.46Å; F34-E71 VanDerWaalsContact CE1-OE2 3.23Å; F34-E71 WeakPolarHBondContact CE1-OE2 3.41Å; F34-E71 HydrophobicContact CZ-CB 4.05Å; F34-I72 HydrophobicContact CE2-CD1 4.04Å; F34-I72 HydrophobicContact CE2-CG1 3.97Å; F34-I72 HydrophobicContact CZ-CD1 4.4Å; F34-I72 HydrophobicContact CZ-CG1 3.91Å
35S98.4Very high98.1Very high46 Ų4657.3 Ų57.332%0.32231%0.312SS..  trans-137103.9174.4174.10000109.5G33 S37 A38 D39G33-S35 PolarHBondContact O-N 3.41Å; S35-S37 VanDerWaalsContact C-N 3.27Å; S35-S37 PolarHBondContact O-N 2.99Å; S35-S37 PolarHBondContact OG-OG 3.33Å; S35-A38 PolarHBondContact O-N 3.01Å; S35-A38 WeakPolarHBondContact OG-CB 3.37Å; S35-A38 PolarHBondContact OG-N 3.3Å; S35-D39 PolarHBondContact O-N 2.8Å; S35-D39 VanDerWaalsContact O-N 3.09Å
36A98.4Very high98Very high17 Ų1753.5 Ų53.514%0.1430%0.3CS..Hα-helixtrans-57.1-39.6179.200000112.6F34 A40 E71F34-A36 HydrophobicContact CE1-CB 3.86Å; F34-A36 HydrophobicContact CZ-CB 3.65Å; A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.43Å; A36-A40 PolarHBondContact O-N 3.4Å; A36-E71 HydrophobicContact CB-CB 3.92Å
37S98.1Very high97.8Very high51 Ų5152.8 Ų52.836%0.35729%0.294SS..Hα-helixtrans-67.8-44.5178.251.30000112.4S35 D39 A40 E41 S75S35-S37 VanDerWaalsContact C-N 3.27Å; S35-S37 PolarHBondContact O-N 2.99Å; S35-S37 PolarHBondContact OG-OG 3.33Å; S37-D39 VanDerWaalsContact C-N 3.31Å; S37-D39 PolarHBondContact O-N 3.28Å; S37-A40 PolarHBondContact O-N 3.11Å; S37-E41 WeakPolarHBondContact O-CG 3.45Å; S37-E41 PolarHBondContact O-N 3.42Å; S37-S75 VanDerWaalsContact CA-OG 3.22Å; S37-S75 WeakPolarHBondContact CA-OG 3.46Å; S37-S75 PolarHBondContact N-OG 3.47Å
38A98.4Very high97.5Very high24 Ų2459.8 Ų59.820%0.19832%0.323CS..Hα-helixtrans-62.7-39.5178.400000111.8S35 R42S35-A38 PolarHBondContact O-N 3.01Å; S35-A38 WeakPolarHBondContact OG-CB 3.37Å; S35-A38 PolarHBondContact OG-N 3.3Å; A38-R42 VanDerWaalsContact O-CG 3.28Å; A38-R42 WeakPolarHBondContact O-CG 3.36Å; A38-R42 PolarHBondContact O-N 3Å; A38-R42 VanDerWaalsContact O-N 3.09Å
39D98.6Very high97.1Very high3 Ų361.9 Ų61.92%0.01635%0.347CS..Hα-helixtrans-71.8-40.2175.7-76.5-17.6000112.2S35 S37 E41 R42 L43 I60 R64 I72S35-D39 PolarHBondContact O-N 2.8Å; S35-D39 VanDerWaalsContact O-N 3.09Å; S37-D39 VanDerWaalsContact C-N 3.31Å; S37-D39 PolarHBondContact O-N 3.28Å; D39-E41 VanDerWaalsContact C-N 3.31Å; D39-E41 PolarHBondContact O-N 2.94Å; D39-R42 PolarHBondContact O-N 3.45Å; D39-R42 IonicContact OD1-CZ 2.84Å; D39-R42 IonicContact OD1-NH1 3.14Å; D39-R42 PolarHBondContact OD1-NH1 2.72Å; D39-L43 WeakPolarHBondContact O-CB 3.49Å; D39-L43 VanDerWaalsContact O-CG 3.31Å; D39-L43 WeakPolarHBondContact O-CG 3.34Å; D39-L43 PolarHBondContact O-N 3.05Å; D39-I60 HydrophobicContact CB-CG2 3.94Å; D39-R64 IonicContact OD1-NH2 3.35Å; D39-R64 PolarHBondContact OD1-NH2 2.97Å; D39-R64 IonicContact OD2-CZ 3.64Å; D39-R64 IonicContact OD2-NE 3.92Å; D39-R64 PolarHBondContact OD2-NE 3.45Å; D39-R64 IonicContact OD2-NH2 3.3Å; D39-R64 PolarHBondContact OD2-NH2 3.37Å; D39-I72 HydrophobicContact CB-CD1 3.72Å; D39-I72 HydrophobicContact CB-CG1 3.87Å
40A98.5Very high96.5Very high0 Ų062 Ų620%036%0.362CS..Hα-helixtrans-57.8-43.5173.100000111.8A36 S37 L43 H44 I72 Y76 L79A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.43Å; A36-A40 PolarHBondContact O-N 3.4Å; S37-A40 PolarHBondContact O-N 3.11Å; A40-L43 PolarHBondContact O-N 3.35Å; A40-H44 WeakPolarHBondContact O-CB 3.43Å; A40-H44 PolarHBondContact O-N 2.97Å; A40-I72 HydrophobicContact CB-CG2 4.41Å; A40-Y76 HydrophobicContact CB-CD2 4.14Å; A40-L79 HydrophobicContact CB-CD1 4.14Å
41E98.2Very high96.1Very high78 Ų7861 Ų6136%0.36437%0.365SS..Hα-helixtrans-65.8-40.2176-70.5177.9-166.500113.2S37 D39 H44 R45 L79 Y80S37-E41 WeakPolarHBondContact O-CG 3.45Å; S37-E41 PolarHBondContact O-N 3.42Å; D39-E41 VanDerWaalsContact C-N 3.31Å; D39-E41 PolarHBondContact O-N 2.94Å; E41-H44 PolarHBondContact O-N 3.18Å; E41-R45 WeakPolarHBondContact O-CG 3.4Å; E41-R45 PolarHBondContact O-N 2.91Å; E41-R45 IonicContact OE2-NH1 2.77Å; E41-L79 HydrophobicContact CG-CD1 4.35Å; E41-Y80 WeakPolarHBondContact CA-OH 3.42Å; E41-Y80 WeakPolarHBondContact CG-OH 3.21Å
42R97.8Very high95.9Very high110 Ų11060 Ų6042%0.41536%0.359SS..Hα-helixtrans-64.1-41.7175.6-73.8172.2-168.7119.35.2111.4A38 D39 R45 S46 I60A38-R42 VanDerWaalsContact O-CG 3.28Å; A38-R42 WeakPolarHBondContact O-CG 3.36Å; A38-R42 PolarHBondContact O-N 3Å; A38-R42 VanDerWaalsContact O-N 3.09Å; D39-R42 PolarHBondContact O-N 3.45Å; D39-R42 IonicContact OD1-CZ 2.84Å; D39-R42 IonicContact OD1-NH1 3.14Å; D39-R42 PolarHBondContact OD1-NH1 2.72Å; R42-R45 PolarHBondContact O-N 3.2Å; R42-S46 WeakPolarHBondContact O-CB 3.23Å; R42-S46 PolarHBondContact O-N 2.86Å; R42-S46 PolarHBondContact O-OG 3.36Å; R42-I60 HydrophobicContact CB-CD1 3.5Å; R42-I60 VanDerWaalsContact CB-CD1 3.5Å; R42-I60 HydrophobicContact CG-CD1 4.44Å
43L98.1Very high95.9Very high0 Ų055.6 Ų55.60%033%0.33CS..Hα-helixtrans-62.7-46.9175.5-71.4169.7000110.9D39 A40 R45 S46 M47 I57 I60 L61 I72 L84D39-L43 WeakPolarHBondContact O-CB 3.49Å; D39-L43 VanDerWaalsContact O-CG 3.31Å; D39-L43 WeakPolarHBondContact O-CG 3.34Å; D39-L43 PolarHBondContact O-N 3.05Å; A40-L43 PolarHBondContact O-N 3.35Å; L43-R45 VanDerWaalsContact C-N 3.33Å; L43-R45 PolarHBondContact O-N 3.1Å; L43-S46 WeakPolarHBondContact O-CA 3.45Å; L43-S46 WeakPolarHBondContact O-CB 3.5Å; L43-S46 PolarHBondContact O-N 3.3Å; L43-M47 WeakPolarHBondContact O-CE 3.43Å; L43-M47 PolarHBondContact O-N 3.49Å; L43-I57 HydrophobicContact CD2-CB 4.29Å; L43-I57 HydrophobicContact CD2-CG1 4.19Å; L43-I57 HydrophobicContact CD2-CG2 4.16Å; L43-I60 HydrophobicContact CD1-CG2 4.29Å; L43-I60 HydrophobicContact CD2-CB 4.26Å; L43-I60 HydrophobicContact CD2-CD1 4.1Å; L43-I60 HydrophobicContact CD2-CG2 4.33Å; L43-I60 HydrophobicContact CG-CD1 4.1Å; L43-I60 HydrophobicContact CG-CG2 4.29Å; L43-L61 HydrophobicContact CD1-CD2 3.86Å; L43-L61 HydrophobicContact CD1-CG 4.37Å; L43-L61 HydrophobicContact CD2-CD1 4.29Å; L43-L61 HydrophobicContact CD2-CD2 4.47Å; L43-L61 HydrophobicContact CD2-CG 4.08Å; L43-I72 HydrophobicContact CD1-CG2 3.48Å; L43-I72 VanDerWaalsContact CD1-CG2 3.48Å; L43-L84 HydrophobicContact CB-CD1 4.4Å; L43-L84 HydrophobicContact CD1-CD1 4.31Å; L43-L84 HydrophobicContact CD1-CD2 3.92Å
44H97.3Very high95.9Very high48 Ų4855.4 Ų55.422%0.22231%0.309CS..Hα-helixtrans-58.1-44.4176.6-170.471.9000112.1A40 E41 S46 M47 K48 Y76 Y80A40-H44 WeakPolarHBondContact O-CB 3.43Å; A40-H44 PolarHBondContact O-N 2.97Å; E41-H44 PolarHBondContact O-N 3.18Å; H44-S46 VanDerWaalsContact C-N 3.25Å; H44-S46 PolarHBondContact O-N 3.07Å; H44-M47 PolarHBondContact O-N 3.32Å; H44-K48 PolarHBondContact O-N 2.88Å; H44-Y76 HydrophobicContact CB-CE2 3.72Å; H44-Y76 AromaticContact ND1-CZ 3.75Å; H44-Y76 PolarHBondContact ND1-OH 3.25Å; H44-Y80 HydrophobicContact CB-CD2 4.17Å; H44-Y80 HydrophobicContact CB-CE1 4.19Å; H44-Y80 HydrophobicContact CB-CE2 3.51Å; H44-Y80 AromaticContact CD2-CD1 3.95Å; H44-Y80 AromaticContact CD2-CE1 3.42Å; H44-Y80 VanDerWaalsContact CD2-CE1 3.42Å; H44-Y80 WeakPolarHBondContact CD2-CE1 3.36Å; H44-Y80 AromaticContact CD2-CZ 3.64Å; H44-Y80 AromaticContact CE1-CD1 3.78Å; H44-Y80 AromaticContact CG-CD1 3.97Å; H44-Y80 AromaticContact CG-CE1 3.62Å; H44-Y80 AromaticContact CG-CE2 3.73Å; H44-Y80 AromaticContact CG-CZ 3.48Å; H44-Y80 VanDerWaalsContact CG-CZ 3.48Å; H44-Y80 AromaticContact ND1-CD1 3.87Å; H44-Y80 AromaticContact ND1-CG 3.87Å; H44-Y80 AromaticContact NE2-CD1 3.84Å; H44-Y80 AromaticContact NE2-CE1 3.74Å
45R97.1Very high95.8Very high141 Ų14155 Ų5553%0.53231%0.309SS..Hα-helixtrans-62-32.3174.5-73.6-169-62-894.6113E41 R42 L43 M47 K48E41-R45 WeakPolarHBondContact O-CG 3.4Å; E41-R45 PolarHBondContact O-N 2.91Å; E41-R45 IonicContact OE2-NH1 2.77Å; R42-R45 PolarHBondContact O-N 3.2Å; L43-R45 VanDerWaalsContact C-N 3.33Å; L43-R45 PolarHBondContact O-N 3.1Å; R45-M47 PolarHBondContact O-N 2.96Å; R45-K48 PolarHBondContact O-N 3.17Å
46S96.6Very high95.7Very high15 Ų1553.7 Ų53.711%0.10530%0.301CS..Hα-helixtrans-73.7-16.1-179-55.80000113.3R42 L43 H44 N53 A56R42-S46 WeakPolarHBondContact O-CB 3.23Å; R42-S46 PolarHBondContact O-N 2.86Å; R42-S46 PolarHBondContact O-OG 3.36Å; L43-S46 WeakPolarHBondContact O-CA 3.45Å; L43-S46 WeakPolarHBondContact O-CB 3.5Å; L43-S46 PolarHBondContact O-N 3.3Å; H44-S46 VanDerWaalsContact C-N 3.25Å; H44-S46 PolarHBondContact O-N 3.07Å; S46-N53 PolarHBondContact O-N 3.36Å; S46-A56 VanDerWaalsContact OG-CB 3.24Å; S46-A56 WeakPolarHBondContact OG-CB 3.41Å
47M95.9Very high95.6Very high13 Ų1352.9 Ų52.96%0.06429%0.294CS..THydrogen-bonded Turntrans-109.52179.2-61.4179.6-6400112.5L43 H44 R45 T52 I57 Y76 L84 D87 L88 D91L43-M47 WeakPolarHBondContact O-CE 3.43Å; L43-M47 PolarHBondContact O-N 3.49Å; H44-M47 PolarHBondContact O-N 3.32Å; R45-M47 PolarHBondContact O-N 2.96Å; M47-T52 HydrophobicContact CG-CG2 4.37Å; M47-I57 HydrophobicContact CG-CD1 3.91Å; M47-Y76 HydrophobicContact CE-CE2 3.94Å; M47-Y76 WeakPolarHBondContact CE-OH 3.49Å; M47-L84 HydrophobicContact CE-CD1 3.88Å; M47-D87 HydrophobicContact CE-CB 4.03Å; M47-D87 HydrophobicContact SD-CB 4.17Å; M47-L88 HydrophobicContact SD-CD2 3.56Å; M47-L88 VanDerWaalsContact SD-CD2 3.56Å; M47-L88 HydrophobicContact SD-CG 3.96Å; M47-D91 HydrophobicContact CB-CB 4.49Å; M47-D91 HydrophobicContact CG-CB 4.39Å
48K92.1Very high95.6Very high165 Ų16550.5 Ų50.572%0.71728%0.278SS*.SBendtrans-88.6121.8-176.3-173.7-177.3179.4-178.10111.6H44 R45H44-K48 PolarHBondContact O-N 2.88Å; R45-K48 PolarHBondContact O-N 3.17Å
49G89.7Confident95.6Very high50 Ų5051.6 Ų51.652%0.51528%0.28SS..SBendtrans104-170.9172.100000112.8G51G49-G51 PolarHBondContact O-N 3Å
50P86.6Confident95.5Very high145 Ų14552.1 Ų52.194%0.94228%0.283SS*.SBendtrans-70.5120.8176.328.5-32.4000110.4
51G88.9Confident95.5Very high56 Ų5652.1 Ų52.158%0.57728%0.283SS*.SBendtrans90.9177.9-176.400000112.9G49G49-G51 PolarHBondContact O-N 3Å
52T93.6Very high95.5Very high24 Ų2448.4 Ų48.415%0.14727%0.265CS..  trans-136142.8-176.5-54.90000108.2M47 E54 I57 D91 T92M47-T52 HydrophobicContact CG-CG2 4.37Å; T52-E54 PolarHBondContact O-N 2.64Å; T52-I57 HydrophobicContact CG2-CD1 3.39Å; T52-D91 HydrophobicContact CG2-CB 4.44Å; T52-D91 PolarHBondContact OG1-O 3.27Å; T52-D91 VanDerWaalsContact OG1-O 3.1Å; T52-T92 HydrophobicContact CG2-CG2 4.46Å
53N95.9Very high95.6Very high58 Ų5847 Ų4731%0.3126%0.26SS..  trans-90.783.4173.5-169.6-23.4000109.4S46 L55 A56 I57 Q363S46-N53 PolarHBondContact O-N 3.36Å; N53-L55 VanDerWaalsContact C-N 3.31Å; N53-L55 PolarHBondContact O-N 3.16Å; N53-A56 HydrophobicContact CB-CB 4.05Å; N53-A56 PolarHBondContact O-N 3.44Å; N53-A56 VanDerWaalsContact O-N 3.16Å; N53-A56 PolarHBondContact OD1-N 3.17Å; N53-A56 VanDerWaalsContact OD1-N 3.16Å; N53-I57 PolarHBondContact O-N 3.1Å; N53-Q363 VanDerWaalsContact CG-NE2 3.29Å; N53-Q363 PolarHBondContact ND2-NE2 3Å; N53-Q363 PolarHBondContact ND2-OE1 3.05Å; N53-Q363 PolarHBondContact OD1-NE2 2.93Å
54E96.6Very high95.6Very high71 Ų7148.7 Ų48.733%0.33227%0.267SS..Hα-helixtrans-60.1-41.6-173.2-57.685.8177.100111.7T52 A56 I57 I58 F96 D348T52-E54 PolarHBondContact O-N 2.64Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 2.7Å; E54-I57 PolarHBondContact O-N 2.6Å; E54-I58 WeakPolarHBondContact O-CB 3.36Å; E54-I58 VanDerWaalsContact O-CG1 3.23Å; E54-I58 WeakPolarHBondContact O-CG1 3.44Å; E54-I58 PolarHBondContact O-N 3.23Å; E54-F96 HydrophobicContact CB-CD1 4.41Å; E54-F96 HydrophobicContact CB-CE1 3.58Å; E54-F96 HydrophobicContact CB-CZ 3.78Å; E54-F96 HydrophobicContact CG-CD1 3.97Å; E54-F96 HydrophobicContact CG-CE1 3.39Å; E54-F96 HydrophobicContact CG-CZ 4.13Å; E54-D348 HydrophobicContact CB-CB 4.37Å
55L96.2Very high95.6Very high40 Ų4046.8 Ų46.821%0.20926%0.258CS..Hα-helixtrans-61.6-39.2177.9-78.7179.2000112.7N53 I58 N59 Y361 Q363N53-L55 VanDerWaalsContact C-N 3.31Å; N53-L55 PolarHBondContact O-N 3.16Å; L55-I58 PolarHBondContact O-N 3.25Å; L55-N59 VanDerWaalsContact O-CB 3.31Å; L55-N59 WeakPolarHBondContact O-CB 3.35Å; L55-N59 VanDerWaalsContact O-CG 3.31Å; L55-N59 PolarHBondContact O-N 3.25Å; L55-N59 PolarHBondContact O-ND2 3.29Å; L55-Y361 HydrophobicContact CD2-CG 4.46Å; L55-Q363 HydrophobicContact CB-CG 4.18Å; L55-Q363 HydrophobicContact CD1-CG 4.1Å
56A96.3Very high95.7Very high19 Ų1940.4 Ų40.416%0.15723%0.234CC..Hα-helixtrans-66.1-40.8177.200000111.5S46 N53 E54 I60S46-A56 VanDerWaalsContact OG-CB 3.24Å; S46-A56 WeakPolarHBondContact OG-CB 3.41Å; N53-A56 HydrophobicContact CB-CB 4.05Å; N53-A56 PolarHBondContact O-N 3.44Å; N53-A56 VanDerWaalsContact O-N 3.16Å; N53-A56 PolarHBondContact OD1-N 3.17Å; N53-A56 VanDerWaalsContact OD1-N 3.16Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 2.7Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 2.89Å
57I97.8Very high95.8Very high0 Ų042.1 Ų42.10%024%0.239CC..Hα-helixtrans-61.9-48.2175.2-64.6171.9000110.4L43 M47 T52 N53 E54 I60 L61 L88 F96 L100L43-I57 HydrophobicContact CD2-CB 4.29Å; L43-I57 HydrophobicContact CD2-CG1 4.19Å; L43-I57 HydrophobicContact CD2-CG2 4.16Å; M47-I57 HydrophobicContact CG-CD1 3.91Å; T52-I57 HydrophobicContact CG2-CD1 3.39Å; N53-I57 PolarHBondContact O-N 3.1Å; E54-I57 PolarHBondContact O-N 2.6Å; I57-I60 PolarHBondContact O-N 3.46Å; I57-L61 HydrophobicContact CG2-CD1 3.75Å; I57-L61 HydrophobicContact CG2-CG 4.47Å; I57-L61 PolarHBondContact O-N 3.1Å; I57-L88 HydrophobicContact CD1-CD2 3.96Å; I57-L88 HydrophobicContact CG1-CD2 4.47Å; I57-L88 HydrophobicContact CG2-CD2 3.77Å; I57-F96 HydrophobicContact CG2-CZ 4.47Å; I57-L100 HydrophobicContact CG2-CD1 4.19Å; I57-L100 HydrophobicContact CG2-CD2 3.75Å
58I98.1Very high95.9Very high1 Ų141.9 Ų41.91%0.00524%0.238CC..Hα-helixtrans-61.5-50.2-178.9-69.7167.8000111.3E54 L55 I60 L61 A62 F96 D348 R351 T352 V355E54-I58 WeakPolarHBondContact O-CB 3.36Å; E54-I58 VanDerWaalsContact O-CG1 3.23Å; E54-I58 WeakPolarHBondContact O-CG1 3.44Å; E54-I58 PolarHBondContact O-N 3.23Å; L55-I58 PolarHBondContact O-N 3.25Å; I58-I60 PolarHBondContact O-N 3.39Å; I58-L61 PolarHBondContact O-N 3.13Å; I58-A62 HydrophobicContact CG2-CB 4.29Å; I58-A62 WeakPolarHBondContact O-CB 3.47Å; I58-A62 PolarHBondContact O-N 3.48Å; I58-F96 HydrophobicContact CD1-CE2 3.72Å; I58-F96 HydrophobicContact CD1-CZ 4.11Å; I58-F96 HydrophobicContact CG1-CE2 3.58Å; I58-F96 HydrophobicContact CG1-CZ 3.94Å; I58-D348 HydrophobicContact CD1-CB 4.09Å; I58-R351 HydrophobicContact CD1-CB 3.94Å; I58-T352 WeakPolarHBondContact CG1-OG1 3.42Å; I58-V355 HydrophobicContact CG2-CB 3.82Å; I58-V355 HydrophobicContact CG2-CG1 4.06Å; I58-V355 HydrophobicContact CG2-CG2 3.65Å
59N96.9Very high96.2Very high47 Ų4734.1 Ų34.125%0.25120%0.204SC..Hα-helixtrans-65.1-13.1-176.7-76.6-26.9000113.7L55 R63 Y361L55-N59 VanDerWaalsContact O-CB 3.31Å; L55-N59 WeakPolarHBondContact O-CB 3.35Å; L55-N59 VanDerWaalsContact O-CG 3.31Å; L55-N59 PolarHBondContact O-N 3.25Å; L55-N59 PolarHBondContact O-ND2 3.29Å; N59-R63 WeakPolarHBondContact O-CB 3.36Å; N59-R63 WeakPolarHBondContact O-CG 3.33Å; N59-Y361 PolarHBondContact ND2-O 3.28Å
60I98Very high96.7Very high13 Ų1332.9 Ų32.97%0.06719%0.185CC..Hα-helixtrans-92.8-66.6169.2-64169000109.3D39 R42 L43 A56 I57 I58 A62 R63 R64 I72D39-I60 HydrophobicContact CB-CG2 3.94Å; R42-I60 HydrophobicContact CB-CD1 3.5Å; R42-I60 VanDerWaalsContact CB-CD1 3.5Å; R42-I60 HydrophobicContact CG-CD1 4.44Å; L43-I60 HydrophobicContact CD1-CG2 4.29Å; L43-I60 HydrophobicContact CD2-CB 4.26Å; L43-I60 HydrophobicContact CD2-CD1 4.1Å; L43-I60 HydrophobicContact CD2-CG2 4.33Å; L43-I60 HydrophobicContact CG-CD1 4.1Å; L43-I60 HydrophobicContact CG-CG2 4.29Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 2.89Å; I57-I60 PolarHBondContact O-N 3.46Å; I58-I60 PolarHBondContact O-N 3.39Å; I60-A62 PolarHBondContact O-N 3.16Å; I60-R63 CarbonylContact O-C 3.55Å; I60-R63 PolarHBondContact O-N 3.06Å; I60-R64 VanDerWaalsContact O-CG 3.28Å; I60-R64 WeakPolarHBondContact O-CG 3.42Å; I60-R64 PolarHBondContact O-N 2.96Å; I60-I72 HydrophobicContact CG2-CD1 4.19Å
61L98.4Very high97.2Very high1 Ų128.6 Ų28.61%0.00515%0.152CC..Hα-helixtrans-67-36.1-166.6-63.8176.3000112.7L43 I57 I58 R63 R69 L88 L100 L103 I104L43-L61 HydrophobicContact CD1-CD2 3.86Å; L43-L61 HydrophobicContact CD1-CG 4.37Å; L43-L61 HydrophobicContact CD2-CD1 4.29Å; L43-L61 HydrophobicContact CD2-CD2 4.47Å; L43-L61 HydrophobicContact CD2-CG 4.08Å; I57-L61 HydrophobicContact CG2-CD1 3.75Å; I57-L61 HydrophobicContact CG2-CG 4.47Å; I57-L61 PolarHBondContact O-N 3.1Å; I58-L61 PolarHBondContact O-N 3.13Å; L61-R63 PolarHBondContact O-N 3.29Å; L61-R69 HydrophobicContact CD2-CG 4.42Å; L61-R69 WeakPolarHBondContact O-CD 3.49Å; L61-L88 HydrophobicContact CD1-CD1 3.89Å; L61-L100 HydrophobicContact CD1-CD2 3.95Å; L61-L103 HydrophobicContact CB-CD2 3.64Å; L61-L103 HydrophobicContact CB-CG 4.32Å; L61-I104 HydrophobicContact CD1-CG2 3.67Å; L61-I104 HydrophobicContact CD2-CG2 4.12Å; L61-I104 HydrophobicContact CG-CG2 4.49Å
62A98.4Very high97.7Very high0 Ų025.9 Ų25.90%013%0.125CC..THydrogen-bonded Turntrans-83.28.8177.900000113.2I28 I58 I60 L103 T352 V355 L356I28-A62 WeakPolarHBondContact CD1-O 3.34Å; I58-A62 HydrophobicContact CG2-CB 4.29Å; I58-A62 WeakPolarHBondContact O-CB 3.47Å; I58-A62 PolarHBondContact O-N 3.48Å; I60-A62 PolarHBondContact O-N 3.16Å; A62-L103 HydrophobicContact CB-CD2 4.18Å; A62-T352 HydrophobicContact CB-CG2 4.16Å; A62-V355 HydrophobicContact CB-CB 4Å; A62-V355 HydrophobicContact CB-CG1 3.64Å; A62-L356 HydrophobicContact CB-CD2 3.9Å; A62-L356 HydrophobicContact CB-CG 4.04Å
63R98.2Very high97.9Very high81 Ų8126 Ų2631%0.30613%0.126SC..THydrogen-bonded Turntrans-127.817.9177.1-59.7-62.1-67.1164.9-2.6112.6T27 N59 I60 L61 V355T27-R63 PolarHBondContact O-NH1 3.37Å; N59-R63 WeakPolarHBondContact O-CB 3.36Å; N59-R63 WeakPolarHBondContact O-CG 3.33Å; I60-R63 CarbonylContact O-C 3.55Å; I60-R63 PolarHBondContact O-N 3.06Å; L61-R63 PolarHBondContact O-N 3.29Å; R63-V355 VanDerWaalsContact CD-CG1 3.44Å; R63-V355 HydrophobicContact CG-CG1 3.58Å; R63-V355 PolarHBondContact NH1-O 3.08Å
64R98.4Very high98Very high35 Ų3529.1 Ų29.113%0.13214%0.139CC..SBendtrans-124.7148.4177.8-68.5-64.7178.2-80.4-10.9110D39 I60 E68 R69 I72D39-R64 IonicContact OD1-NH2 3.35Å; D39-R64 PolarHBondContact OD1-NH2 2.97Å; D39-R64 IonicContact OD2-CZ 3.64Å; D39-R64 IonicContact OD2-NE 3.92Å; D39-R64 PolarHBondContact OD2-NE 3.45Å; D39-R64 IonicContact OD2-NH2 3.3Å; D39-R64 PolarHBondContact OD2-NH2 3.37Å; I60-R64 VanDerWaalsContact O-CG 3.28Å; I60-R64 WeakPolarHBondContact O-CG 3.42Å; I60-R64 PolarHBondContact O-N 2.96Å; R64-E68 VanDerWaalsContact CA-OE2 3.27Å; R64-E68 WeakPolarHBondContact CA-OE2 3.24Å; R64-E68 HydrophobicContact CB-CB 3.93Å; R64-E68 WeakPolarHBondContact CD-OE2 3.43Å; R64-E68 HydrophobicContact CG-CB 4.43Å; R64-R69 HydrophobicContact CB-CG 3.86Å; R64-R69 PolarHBondContact O-NH1 3.21Å; R64-I72 HydrophobicContact CG-CD1 4.03Å
65T98.6Very high98.1Very high7 Ų726.9 Ų26.94%0.04313%0.131CC..  trans-68.2163.5173.866.20000111.2I28 P30 Y67 E68 R69 E319I28-T65 HydrophobicContact CG2-CG2 4.12Å; P30-T65 HydrophobicContact CG-CG2 4.15Å; T65-Y67 PolarHBondContact O-N 3.05Å; T65-E68 PolarHBondContact N-OE2 2.95Å; T65-E68 PolarHBondContact O-N 3Å; T65-E68 VanDerWaalsContact OG1-CG 3.26Å; T65-E68 WeakPolarHBondContact OG1-CG 3.4Å; T65-E68 PolarHBondContact OG1-N 3.13Å; T65-R69 VanDerWaalsContact O-CG 3.3Å; T65-R69 WeakPolarHBondContact O-CG 3.48Å; T65-R69 PolarHBondContact O-N 3.27Å; T65-E319 VanDerWaalsContact C-OE2 3.26Å; T65-E319 WeakPolarHBondContact CA-OE2 3.46Å; T65-E319 WeakPolarHBondContact CB-OE2 3.44Å
66N98.6Very high98.2Very high7 Ų725 Ų254%0.03712%0.121CC..Hα-helixtrans-53.7-45.1172.9176.464.8000111.7S5 R69 Q70 D106 T107 E319S5-N66 PolarHBondContact OG-ND2 2.93Å; N66-R69 PolarHBondContact O-N 2.89Å; N66-Q70 WeakPolarHBondContact O-CG 3.48Å; N66-Q70 PolarHBondContact O-N 3.09Å; N66-D106 PolarHBondContact ND2-OD1 2.83Å; N66-T107 WeakPolarHBondContact CB-OG1 3.49Å; N66-T107 PolarHBondContact ND2-OG1 3.26Å; N66-T107 PolarHBondContact OD1-N 3.09Å; N66-T107 VanDerWaalsContact OD1-N 3.1Å; N66-T107 PolarHBondContact OD1-OG1 3.32Å; N66-E319 WeakPolarHBondContact CB-OE1 3.36Å; N66-E319 PolarHBondContact N-OE1 3.31Å; N66-E319 PolarHBondContact N-OE2 2.97Å
67Y98.4Very high98.2Very high52 Ų5228.7 Ų28.720%0.20413%0.133CC..Hα-helixtrans-59-49.7178.5-178.1-96.5000111.5I4 G8 I9 T65 R69 Q70 E71I4-Y67 HydrophobicContact CG2-CD2 3.62Å; I4-Y67 HydrophobicContact CG2-CE2 3.33Å; I4-Y67 HydrophobicContact CG2-CG 4.48Å; G8-Y67 WeakPolarHBondContact O-CD2 3.42Å; I9-Y67 HydrophobicContact CB-CD2 4.33Å; I9-Y67 HydrophobicContact CB-CE2 4.44Å; I9-Y67 HydrophobicContact CB-CG 4.4Å; I9-Y67 HydrophobicContact CG1-CD2 4.13Å; I9-Y67 HydrophobicContact CG1-CE1 4.21Å; I9-Y67 HydrophobicContact CG1-CE2 3.74Å; I9-Y67 HydrophobicContact CG1-CG 4.49Å; I9-Y67 HydrophobicContact CG2-CD1 4.28Å; I9-Y67 HydrophobicContact CG2-CG 4.42Å; I9-Y67 WeakPolarHBondContact O-CB 3.33Å; T65-Y67 PolarHBondContact O-N 3.05Å; Y67-R69 VanDerWaalsContact C-N 3.32Å; Y67-R69 PolarHBondContact O-N 3.41Å; Y67-Q70 PolarHBondContact O-N 3.4Å; Y67-Q70 VanDerWaalsContact O-N 3.12Å; Y67-E71 HydrophobicContact CD1-CG 4.24Å; Y67-E71 VanDerWaalsContact CE1-CD 3.47Å; Y67-E71 HydrophobicContact CE1-CG 3.91Å; Y67-E71 WeakPolarHBondContact CE1-OE2 3.28Å; Y67-E71 PolarHBondContact O-N 3.39Å
68E98.5Very high98.2Very high8 Ų832.3 Ų32.34%0.03716%0.158CC..Hα-helixtrans-61.1-39.6177-71.3171.8160.800111.9T31 F34 R64 T65 Q70 E71 I72T31-E68 WeakPolarHBondContact CB-OE1 3.47Å; T31-E68 PolarHBondContact N-OE1 3.41Å; F34-E68 HydrophobicContact CD1-CG 3.89Å; F34-E68 HydrophobicContact CD2-CB 4.18Å; F34-E68 HydrophobicContact CD2-CG 3.95Å; F34-E68 HydrophobicContact CE1-CB 4.11Å; F34-E68 HydrophobicContact CE1-CG 3.95Å; F34-E68 HydrophobicContact CE2-CB 3.77Å; F34-E68 HydrophobicContact CE2-CG 4.02Å; F34-E68 HydrophobicContact CG-CG 3.89Å; F34-E68 HydrophobicContact CZ-CB 3.72Å; F34-E68 HydrophobicContact CZ-CG 4Å; F34-E68 WeakPolarHBondContact CZ-O 3.35Å; R64-E68 VanDerWaalsContact CA-OE2 3.27Å; R64-E68 WeakPolarHBondContact CA-OE2 3.24Å; R64-E68 HydrophobicContact CB-CB 3.93Å; R64-E68 WeakPolarHBondContact CD-OE2 3.43Å; R64-E68 HydrophobicContact CG-CB 4.43Å; T65-E68 PolarHBondContact N-OE2 2.95Å; T65-E68 PolarHBondContact O-N 3Å; T65-E68 VanDerWaalsContact OG1-CG 3.26Å; T65-E68 WeakPolarHBondContact OG1-CG 3.4Å; T65-E68 PolarHBondContact OG1-N 3.13Å; E68-Q70 VanDerWaalsContact C-N 3.34Å; E68-Q70 PolarHBondContact O-N 3.43Å; E68-E71 PolarHBondContact O-N 3.06Å; E68-I72 VanDerWaalsContact O-CG1 3.25Å; E68-I72 WeakPolarHBondContact O-CG1 3.33Å; E68-I72 PolarHBondContact O-N 3.32Å
69R98.7Very high98.2Very high1 Ų136 Ų360%0.00418%0.178CC..Hα-helixtrans-62.5-39.9174.7-68.6-174.1-52.5-102.26.5111.7L61 R64 T65 N66 Y67 I72 C73 L103 E319L61-R69 HydrophobicContact CD2-CG 4.42Å; L61-R69 WeakPolarHBondContact O-CD 3.49Å; R64-R69 HydrophobicContact CB-CG 3.86Å; R64-R69 PolarHBondContact O-NH1 3.21Å; T65-R69 VanDerWaalsContact O-CG 3.3Å; T65-R69 WeakPolarHBondContact O-CG 3.48Å; T65-R69 PolarHBondContact O-N 3.27Å; N66-R69 PolarHBondContact O-N 2.89Å; Y67-R69 VanDerWaalsContact C-N 3.32Å; Y67-R69 PolarHBondContact O-N 3.41Å; R69-I72 PolarHBondContact O-N 3.3Å; R69-C73 PolarHBondContact O-N 2.7Å; R69-C73 PolarHBondContact O-SG 3.03Å; R69-L103 VanDerWaalsContact CD-O 3.31Å; R69-L103 WeakPolarHBondContact CD-O 3.48Å; R69-L103 PolarHBondContact NE-O 3.32Å; R69-E319 IonicContact NH2-OE1 2.77Å
70Q98.5Very high98.2Very high25 Ų2537 Ų3712%0.11718%0.178CC..Hα-helixtrans-67.3-37.7174.4-62.3-41-68.300111.8I4 N66 Y67 E68 C73 Q74 I104 D106I4-Q70 HydrophobicContact CD1-CB 4.42Å; I4-Q70 WeakPolarHBondContact CD1-O 3.08Å; I4-Q70 HydrophobicContact CG1-CB 4.17Å; I4-Q70 HydrophobicContact CG2-CB 4.27Å; N66-Q70 WeakPolarHBondContact O-CG 3.48Å; N66-Q70 PolarHBondContact O-N 3.09Å; Y67-Q70 PolarHBondContact O-N 3.4Å; Y67-Q70 VanDerWaalsContact O-N 3.12Å; E68-Q70 VanDerWaalsContact C-N 3.34Å; E68-Q70 PolarHBondContact O-N 3.43Å; Q70-C73 WeakPolarHBondContact O-CB 3.15Å; Q70-C73 PolarHBondContact O-N 3.34Å; Q70-Q74 PolarHBondContact O-N 3.22Å; Q70-I104 PolarHBondContact NE2-O 3.37Å; Q70-D106 HydrophobicContact CG-CB 4.14Å
71E98.3Very high98.2Very high54 Ų5443.5 Ų43.525%0.25221%0.206SC..Hα-helixtrans-63.1-41.2172.7-70.6-159.798.400112I4 F34 A36 Y67 E68 Q74 S75I4-E71 HydrophobicContact CD1-CB 4.24Å; I4-E71 HydrophobicContact CD1-CG 3.81Å; I4-E71 HydrophobicContact CG2-CG 4.26Å; F34-E71 HydrophobicContact CE1-CB 3.89Å; F34-E71 HydrophobicContact CE1-CG 4.46Å; F34-E71 VanDerWaalsContact CE1-OE2 3.23Å; F34-E71 WeakPolarHBondContact CE1-OE2 3.41Å; F34-E71 HydrophobicContact CZ-CB 4.05Å; A36-E71 HydrophobicContact CB-CB 3.92Å; Y67-E71 HydrophobicContact CD1-CG 4.24Å; Y67-E71 VanDerWaalsContact CE1-CD 3.47Å; Y67-E71 HydrophobicContact CE1-CG 3.91Å; Y67-E71 WeakPolarHBondContact CE1-OE2 3.28Å; Y67-E71 PolarHBondContact O-N 3.39Å; E68-E71 PolarHBondContact O-N 3.06Å; E71-Q74 PolarHBondContact O-N 2.94Å; E71-S75 WeakPolarHBondContact O-CB 3.36Å; E71-S75 PolarHBondContact O-N 2.91Å
72I98.5Very high98.1Very high0 Ų047.6 Ų47.60%023%0.226CC..Hα-helixtrans-60-47.6172.9-68.4165.5000110.2F34 D39 A40 L43 I60 R64 E68 R69 Q74 S75 Y76 L84F34-I72 HydrophobicContact CE2-CD1 4.04Å; F34-I72 HydrophobicContact CE2-CG1 3.97Å; F34-I72 HydrophobicContact CZ-CD1 4.4Å; F34-I72 HydrophobicContact CZ-CG1 3.91Å; D39-I72 HydrophobicContact CB-CD1 3.72Å; D39-I72 HydrophobicContact CB-CG1 3.87Å; A40-I72 HydrophobicContact CB-CG2 4.41Å; L43-I72 HydrophobicContact CD1-CG2 3.48Å; L43-I72 VanDerWaalsContact CD1-CG2 3.48Å; I60-I72 HydrophobicContact CG2-CD1 4.19Å; R64-I72 HydrophobicContact CG-CD1 4.03Å; E68-I72 VanDerWaalsContact O-CG1 3.25Å; E68-I72 WeakPolarHBondContact O-CG1 3.33Å; E68-I72 PolarHBondContact O-N 3.32Å; R69-I72 PolarHBondContact O-N 3.3Å; I72-Q74 VanDerWaalsContact C-N 3.34Å; I72-Q74 PolarHBondContact O-N 2.77Å; I72-S75 PolarHBondContact O-N 2.64Å; I72-Y76 VanDerWaalsContact O-CB 3.27Å; I72-Y76 WeakPolarHBondContact O-CB 3.36Å; I72-Y76 PolarHBondContact O-N 3.4Å; I72-L84 HydrophobicContact CG2-CD2 3.81Å
73C98.1Very high98Very high25 Ų2550.5 Ų50.517%0.16924%0.241CC..Hα-helixtrans-56.3-46.4177.2-72.10000111.8R69 Q70 K77R69-C73 PolarHBondContact O-N 2.7Å; R69-C73 PolarHBondContact O-SG 3.03Å; Q70-C73 WeakPolarHBondContact O-CB 3.15Å; Q70-C73 PolarHBondContact O-N 3.34Å; C73-K77 WeakPolarHBondContact O-CB 3.16Å; C73-K77 PolarHBondContact O-N 2.97Å
74Q97.8Very high97.9Very high125 Ų12546.7 Ų46.758%0.58423%0.227SC*.Hα-helixtrans-65.6-43177.7-176.2-176.654.700112.1I4 Q70 E71 I72 K77 S78I4-Q74 HydrophobicContact CD1-CB 3.77Å; I4-Q74 HydrophobicContact CD1-CG 4.37Å; I4-Q74 VanDerWaalsContact CD1-OE1 3.27Å; Q70-Q74 PolarHBondContact O-N 3.22Å; E71-Q74 PolarHBondContact O-N 2.94Å; I72-Q74 VanDerWaalsContact C-N 3.34Å; I72-Q74 PolarHBondContact O-N 2.77Å; Q74-K77 PolarHBondContact O-N 3.12Å; Q74-S78 WeakPolarHBondContact O-CB 3.43Å; Q74-S78 PolarHBondContact O-N 3.13Å
75S98.1Very high97.8Very high23 Ų2348.2 Ų48.216%0.16123%0.234CC..Hα-helixtrans-63.4-45.3178-165.70000111.5S37 E71 I72 K77 S78 L79S37-S75 VanDerWaalsContact CA-OG 3.22Å; S37-S75 WeakPolarHBondContact CA-OG 3.46Å; S37-S75 PolarHBondContact N-OG 3.47Å; E71-S75 WeakPolarHBondContact O-CB 3.36Å; E71-S75 PolarHBondContact O-N 2.91Å; I72-S75 PolarHBondContact O-N 2.64Å; S75-K77 PolarHBondContact O-N 3.12Å; S75-S78 WeakPolarHBondContact O-CB 3.32Å; S75-S78 PolarHBondContact O-N 3.34Å; S75-S78 VanDerWaalsContact O-N 3.14Å; S75-L79 WeakPolarHBondContact O-CB 3.16Å; S75-L79 WeakPolarHBondContact O-CG 3.3Å; S75-L79 PolarHBondContact O-N 3.15Å
76Y98.4Very high97.7Very high1 Ų152.3 Ų52.30%0.00426%0.256CS..Hα-helixtrans-57.7-47.1175.3-167.8-82.3000111.5A40 H44 M47 I72 S78 L79 Y80 Q82 L84 D87A40-Y76 HydrophobicContact CB-CD2 4.14Å; H44-Y76 HydrophobicContact CB-CE2 3.72Å; H44-Y76 AromaticContact ND1-CZ 3.75Å; H44-Y76 PolarHBondContact ND1-OH 3.25Å; M47-Y76 HydrophobicContact CE-CE2 3.94Å; M47-Y76 WeakPolarHBondContact CE-OH 3.49Å; I72-Y76 VanDerWaalsContact O-CB 3.27Å; I72-Y76 WeakPolarHBondContact O-CB 3.36Å; I72-Y76 PolarHBondContact O-N 3.4Å; Y76-S78 VanDerWaalsContact C-N 3.29Å; Y76-S78 PolarHBondContact O-N 3.35Å; Y76-L79 PolarHBondContact O-N 3.03Å; Y76-Y80 HydrophobicContact CD1-CD2 4.19Å; Y76-Y80 AromaticContact CD2-CD2 3.78Å; Y76-Y80 HydrophobicContact CD2-CD2 3.78Å; Y76-Y80 HydrophobicContact CD2-CE2 4.03Å; Y76-Y80 HydrophobicContact CE1-CD2 4.2Å; Y76-Y80 AromaticContact CE2-CD2 3.79Å; Y76-Y80 HydrophobicContact CE2-CD2 3.79Å; Y76-Y80 HydrophobicContact CE2-CE2 4.07Å; Y76-Y80 AromaticContact CG-CD2 3.98Å; Y76-Y80 HydrophobicContact CG-CD2 3.98Å; Y76-Y80 AromaticContact CZ-CD2 4Å; Y76-Y80 PolarHBondContact O-N 3.01Å; Y76-Q82 HydrophobicContact CE1-CB 3.98Å; Y76-L84 HydrophobicContact CD1-CB 3.76Å; Y76-L84 HydrophobicContact CD1-CD1 4.4Å; Y76-L84 HydrophobicContact CD2-CB 4.44Å; Y76-L84 HydrophobicContact CD2-CD1 3.83Å; Y76-L84 HydrophobicContact CE1-CB 4.28Å; Y76-L84 HydrophobicContact CE1-CD1 4.41Å; Y76-L84 HydrophobicContact CE2-CD1 3.84Å; Y76-L84 HydrophobicContact CG-CB 3.86Å; Y76-L84 HydrophobicContact CG-CD1 4.13Å; Y76-L84 HydrophobicContact CG-CG 4.4Å; Y76-D87 WeakPolarHBondContact CE1-OD2 3.44Å; Y76-D87 VanDerWaalsContact CZ-OD2 3.24Å; Y76-D87 PolarHBondContact OH-OD2 2.56Å
77K97.8Very high97.7Very high97 Ų9753.2 Ų53.242%0.42226%0.261SS..Hα-helixtrans-61-38.3176.7-171.160.6172.8170.40112.3C73 Q74 S75 K81 Q82C73-K77 WeakPolarHBondContact O-CB 3.16Å; C73-K77 PolarHBondContact O-N 2.97Å; Q74-K77 PolarHBondContact O-N 3.12Å; S75-K77 PolarHBondContact O-N 3.12Å; K77-K81 PolarHBondContact NZ-O 3.04Å; K77-K81 VanDerWaalsContact O-CA 3.24Å; K77-K81 WeakPolarHBondContact O-CA 3.48Å; K77-K81 PolarHBondContact O-N 3.38Å; K77-K81 VanDerWaalsContact O-N 3.12Å; K77-Q82 WeakPolarHBondContact CA-O 3.42Å; K77-Q82 WeakPolarHBondContact CD-O 3.36Å
78S97.7Very high97.6Very high75 Ų7550.9 Ų50.952%0.52425%0.252SS..Hα-helixtrans-69.1-45.8177-170.50000112.4Q74 S75 Y76 K81Q74-S78 WeakPolarHBondContact O-CB 3.43Å; Q74-S78 PolarHBondContact O-N 3.13Å; S75-S78 WeakPolarHBondContact O-CB 3.32Å; S75-S78 PolarHBondContact O-N 3.34Å; S75-S78 VanDerWaalsContact O-N 3.14Å; Y76-S78 VanDerWaalsContact C-N 3.29Å; Y76-S78 PolarHBondContact O-N 3.35Å; S78-K81 WeakPolarHBondContact O-CE 3.44Å; S78-K81 PolarHBondContact O-NZ 2.93Å
79L97.7Very high97.5Very high80 Ų8055.7 Ų55.742%0.41927%0.272SS..Hα-helixtrans-71.9-45.2-175.4-71.6168.4000112.9A40 E41 S75 Y76A40-L79 HydrophobicContact CB-CD1 4.14Å; E41-L79 HydrophobicContact CG-CD1 4.35Å; S75-L79 WeakPolarHBondContact O-CB 3.16Å; S75-L79 WeakPolarHBondContact O-CG 3.3Å; S75-L79 PolarHBondContact O-N 3.15Å; Y76-L79 PolarHBondContact O-N 3.03Å
80Y97.2Very high97.3Very high66 Ų6659.9 Ų59.926%0.25930%0.302SS..Hα-helixtrans-108.8-9-169.4-58.8-66.6000114.2E41 H44 Y76 Q82E41-Y80 WeakPolarHBondContact CA-OH 3.42Å; E41-Y80 WeakPolarHBondContact CG-OH 3.21Å; H44-Y80 HydrophobicContact CB-CD2 4.17Å; H44-Y80 HydrophobicContact CB-CE1 4.19Å; H44-Y80 HydrophobicContact CB-CE2 3.51Å; H44-Y80 AromaticContact CD2-CD1 3.95Å; H44-Y80 AromaticContact CD2-CE1 3.42Å; H44-Y80 VanDerWaalsContact CD2-CE1 3.42Å; H44-Y80 WeakPolarHBondContact CD2-CE1 3.36Å; H44-Y80 AromaticContact CD2-CZ 3.64Å; H44-Y80 AromaticContact CE1-CD1 3.78Å; H44-Y80 AromaticContact CG-CD1 3.97Å; H44-Y80 AromaticContact CG-CE1 3.62Å; H44-Y80 AromaticContact CG-CE2 3.73Å; H44-Y80 AromaticContact CG-CZ 3.48Å; H44-Y80 VanDerWaalsContact CG-CZ 3.48Å; H44-Y80 AromaticContact ND1-CD1 3.87Å; H44-Y80 AromaticContact ND1-CG 3.87Å; H44-Y80 AromaticContact NE2-CD1 3.84Å; H44-Y80 AromaticContact NE2-CE1 3.74Å; Y76-Y80 HydrophobicContact CD1-CD2 4.19Å; Y76-Y80 AromaticContact CD2-CD2 3.78Å; Y76-Y80 HydrophobicContact CD2-CD2 3.78Å; Y76-Y80 HydrophobicContact CD2-CE2 4.03Å; Y76-Y80 HydrophobicContact CE1-CD2 4.2Å; Y76-Y80 AromaticContact CE2-CD2 3.79Å; Y76-Y80 HydrophobicContact CE2-CD2 3.79Å; Y76-Y80 HydrophobicContact CE2-CE2 4.07Å; Y76-Y80 AromaticContact CG-CD2 3.98Å; Y76-Y80 HydrophobicContact CG-CD2 3.98Å; Y76-Y80 AromaticContact CZ-CD2 4Å; Y76-Y80 PolarHBondContact O-N 3.01Å; Y80-Q82 PolarHBondContact O-N 3.37Å
81K97.3Very high97.2Very high150 Ų15061.7 Ų61.765%0.65231%0.312SS*.SBendtrans58.71.9-171.6-50.7-51.5-178.2-155.60114.7K77 S78K77-K81 PolarHBondContact NZ-O 3.04Å; K77-K81 VanDerWaalsContact O-CA 3.24Å; K77-K81 WeakPolarHBondContact O-CA 3.48Å; K77-K81 PolarHBondContact O-N 3.38Å; K77-K81 VanDerWaalsContact O-N 3.12Å; S78-K81 WeakPolarHBondContact O-CE 3.44Å; S78-K81 PolarHBondContact O-NZ 2.93Å
82Q96.2Very high97Very high88 Ų8859.6 Ų59.641%0.41130%0.303SS..SBendtrans-90.6159.8172.3-69.1171.2-39.700111Y76 K77 Y80 D87Y76-Q82 HydrophobicContact CE1-CB 3.98Å; K77-Q82 WeakPolarHBondContact CA-O 3.42Å; K77-Q82 WeakPolarHBondContact CD-O 3.36Å; Y80-Q82 PolarHBondContact O-N 3.37Å; Q82-D87 WeakPolarHBondContact CB-OD2 3.17Å; Q82-D87 PolarHBondContact OE1-OD2 3.35Å
83D96.1Very high96.9Very high61 Ų6163.7 Ų63.733%0.32633%0.332SS..  trans-97.3123.7176.4-170.3-77.3000109.9K85 D86 D87D83-K85 PolarHBondContact O-N 3.02Å; D83-K85 WeakPolarHBondContact OD1-CA 3.21Å; D83-K85 WeakPolarHBondContact OD1-CB 3.37Å; D83-K85 PolarHBondContact OD1-N 3.06Å; D83-D86 HydrophobicContact CB-CB 4.17Å; D83-D86 PolarHBondContact O-N 3.3Å; D83-D86 VanDerWaalsContact O-N 3.08Å; D83-D86 PolarHBondContact OD1-N 3.01Å; D83-D87 PolarHBondContact O-N 3.42Å
84L97.7Very high96.7Very high1 Ų164.5 Ų64.51%0.00535%0.345CS..Hα-helixtrans-60.4-32.9-176.4179.358.9000112.2L43 M47 I72 Y76 L88L43-L84 HydrophobicContact CB-CD1 4.4Å; L43-L84 HydrophobicContact CD1-CD1 4.31Å; L43-L84 HydrophobicContact CD1-CD2 3.92Å; M47-L84 HydrophobicContact CE-CD1 3.88Å; I72-L84 HydrophobicContact CG2-CD2 3.81Å; Y76-L84 HydrophobicContact CD1-CB 3.76Å; Y76-L84 HydrophobicContact CD1-CD1 4.4Å; Y76-L84 HydrophobicContact CD2-CB 4.44Å; Y76-L84 HydrophobicContact CD2-CD1 3.83Å; Y76-L84 HydrophobicContact CE1-CB 4.28Å; Y76-L84 HydrophobicContact CE1-CD1 4.41Å; Y76-L84 HydrophobicContact CE2-CD1 3.84Å; Y76-L84 HydrophobicContact CG-CB 3.86Å; Y76-L84 HydrophobicContact CG-CD1 4.13Å; Y76-L84 HydrophobicContact CG-CG 4.4Å; L84-L88 HydrophobicContact CD1-CD1 3.94Å; L84-L88 HydrophobicContact CD1-CG 3.97Å; L84-L88 HydrophobicContact CG-CD1 3.88Å; L84-L88 HydrophobicContact CG-CG 4.37Å; L84-L88 WeakPolarHBondContact O-CB 3.4Å; L84-L88 WeakPolarHBondContact O-CD1 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 3.01Å
85K95.8Very high96.4Very high67 Ų6761.7 Ų61.729%0.29133%0.334SS..Hα-helixtrans-64.8-44.4176.3179.5170.5168.6-167.10111D83 K89 I104 V105D83-K85 PolarHBondContact O-N 3.02Å; D83-K85 WeakPolarHBondContact OD1-CA 3.21Å; D83-K85 WeakPolarHBondContact OD1-CB 3.37Å; D83-K85 PolarHBondContact OD1-N 3.06Å; K85-K89 WeakPolarHBondContact O-CB 3.28Å; K85-K89 PolarHBondContact O-N 3.23Å; K85-I104 HydrophobicContact CB-CD1 3.46Å; K85-I104 VanDerWaalsContact CB-CD1 3.46Å; K85-I104 HydrophobicContact CD-CD1 3.76Å; K85-I104 HydrophobicContact CG-CD1 3.54Å; K85-V105 HydrophobicContact CD-CG2 4.29Å
86D96.7Very high96.3Very high93 Ų9361.5 Ų61.550%0.49733%0.33SS..Hα-helixtrans-69.4-43.6-176.6-69.3-25.3000110.5D83 K89 S90D83-D86 HydrophobicContact CB-CB 4.17Å; D83-D86 PolarHBondContact O-N 3.3Å; D83-D86 VanDerWaalsContact O-N 3.08Å; D83-D86 PolarHBondContact OD1-N 3.01Å; D86-K89 WeakPolarHBondContact O-CB 3.21Å; D86-K89 PolarHBondContact O-N 3.04Å; D86-K89 VanDerWaalsContact O-N 3.12Å; D86-S90 PolarHBondContact O-N 2.92Å; D86-S90 PolarHBondContact O-OG 3.49Å
87D97.1Very high96.2Very high26 Ų2665.9 Ų65.914%0.13935%0.347CS..Hα-helixtrans-61.9-48.8177-70.20.3000111.3M47 Y76 Q82 D83 K89 S90 D91M47-D87 HydrophobicContact CE-CB 4.03Å; M47-D87 HydrophobicContact SD-CB 4.17Å; Y76-D87 WeakPolarHBondContact CE1-OD2 3.44Å; Y76-D87 VanDerWaalsContact CZ-OD2 3.24Å; Y76-D87 PolarHBondContact OH-OD2 2.56Å; Q82-D87 WeakPolarHBondContact CB-OD2 3.17Å; Q82-D87 PolarHBondContact OE1-OD2 3.35Å; D83-D87 PolarHBondContact O-N 3.42Å; D87-K89 PolarHBondContact O-N 3.08Å; D87-S90 WeakPolarHBondContact CA-OG 3.34Å; D87-S90 PolarHBondContact O-N 2.96Å; D87-S90 PolarHBondContact O-OG 3.34Å; D87-D91 WeakPolarHBondContact O-CB 3.47Å; D87-D91 PolarHBondContact O-N 3.49Å
88L97.4Very high96.1Very high2 Ų264.9 Ų64.91%0.0134%0.342CS..Hα-helixtrans-59.6-35.8174.6-71.9168.4000111.8M47 I57 L61 L84 T92 L100 I104M47-L88 HydrophobicContact SD-CD2 3.56Å; M47-L88 VanDerWaalsContact SD-CD2 3.56Å; M47-L88 HydrophobicContact SD-CG 3.96Å; I57-L88 HydrophobicContact CD1-CD2 3.96Å; I57-L88 HydrophobicContact CG1-CD2 4.47Å; I57-L88 HydrophobicContact CG2-CD2 3.77Å; L61-L88 HydrophobicContact CD1-CD1 3.89Å; L84-L88 HydrophobicContact CD1-CD1 3.94Å; L84-L88 HydrophobicContact CD1-CG 3.97Å; L84-L88 HydrophobicContact CG-CD1 3.88Å; L84-L88 HydrophobicContact CG-CG 4.37Å; L84-L88 WeakPolarHBondContact O-CB 3.4Å; L84-L88 WeakPolarHBondContact O-CD1 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 3.01Å; L88-T92 WeakPolarHBondContact O-CB 3.2Å; L88-T92 WeakPolarHBondContact O-CG2 3.28Å; L88-T92 PolarHBondContact O-N 3.37Å; L88-T92 VanDerWaalsContact O-N 3.1Å; L88-T92 PolarHBondContact O-OG1 3.48Å; L88-L100 HydrophobicContact CD2-CD1 4.16Å; L88-I104 HydrophobicContact CD1-CG1 4.41Å; L88-I104 HydrophobicContact CD1-CG2 3.57Å
89K96Very high96Very high109 Ų10961.3 Ų61.347%0.47432%0.318SS..Hα-helixtrans-72.8-31.8-179-170.5-172.5173.6-179.70112.3K85 D86 D87 R97K85-K89 WeakPolarHBondContact O-CB 3.28Å; K85-K89 PolarHBondContact O-N 3.23Å; D86-K89 WeakPolarHBondContact O-CB 3.21Å; D86-K89 PolarHBondContact O-N 3.04Å; D86-K89 VanDerWaalsContact O-N 3.12Å; D87-K89 PolarHBondContact O-N 3.08Å; K89-R97 HydrophobicContact CG-CG 4.29Å; K89-R97 VanDerWaalsContact O-CD 3.29Å; K89-R97 WeakPolarHBondContact O-CD 3.33Å
90S95.4Very high96Very high90 Ų9057.6 Ų57.663%0.62930%0.298SS*.Hα-helixtrans-77.4-38.2175.349.60000112.7D86 D87D86-S90 PolarHBondContact O-N 2.92Å; D86-S90 PolarHBondContact O-OG 3.49Å; D87-S90 WeakPolarHBondContact CA-OG 3.34Å; D87-S90 PolarHBondContact O-N 2.96Å; D87-S90 PolarHBondContact O-OG 3.34Å
91D95.1Very high96Very high62 Ų6255.6 Ų55.633%0.33229%0.293SS..Hα-helixtrans-85.5-13.5-176.1-76.4-56000113.8M47 T52 D87M47-D91 HydrophobicContact CB-CB 4.49Å; M47-D91 HydrophobicContact CG-CB 4.39Å; T52-D91 HydrophobicContact CG2-CB 4.44Å; T52-D91 PolarHBondContact OG1-O 3.27Å; T52-D91 VanDerWaalsContact OG1-O 3.1Å; D87-D91 WeakPolarHBondContact O-CB 3.47Å; D87-D91 PolarHBondContact O-N 3.49Å
92T95.8Very high95.9Very high10 Ų1048.8 Ų48.86%0.06126%0.264CS..  trans-120.4163.4178.971.10000112.7T52 L88 F96 R97 L100T52-T92 HydrophobicContact CG2-CG2 4.46Å; L88-T92 WeakPolarHBondContact O-CB 3.2Å; L88-T92 WeakPolarHBondContact O-CG2 3.28Å; L88-T92 PolarHBondContact O-N 3.37Å; L88-T92 VanDerWaalsContact O-N 3.1Å; L88-T92 PolarHBondContact O-OG1 3.48Å; T92-F96 HydrophobicContact CG2-CD1 3.79Å; T92-F96 HydrophobicContact CG2-CE1 3.56Å; T92-F96 HydrophobicContact CG2-CZ 4.5Å; T92-R97 WeakPolarHBondContact O-CD 3.48Å; T92-R97 WeakPolarHBondContact OG1-CA 3.25Å; T92-R97 VanDerWaalsContact OG1-CB 3.3Å; T92-R97 WeakPolarHBondContact OG1-CB 3.27Å; T92-L100 HydrophobicContact CG2-CD1 3.71Å
93S94.5Very high96Very high86 Ų8644.6 Ų44.660%0.60124%0.244SC*.  trans-142.2179.5178.972.80000112R97S93-R97 PolarHBondContact O-N 3.15Å
94G94.1Very high96.1Very high43 Ų4342 Ų4244%0.44323%0.23SC..Hα-helixtrans56.1-145.3175.600000114.5F96 R97 K98G94-F96 VanDerWaalsContact C-N 3.32Å; G94-R97 PolarHBondContact O-N 3.13Å; G94-K98 PolarHBondContact O-N 2.93Å
95D92.7Very high96Very high65 Ų6542.8 Ų42.835%0.34824%0.235SC..Hα-helixtrans-72.8-26.1-178.7-58.9-39.5000112.9K98 V99 Y349D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 3.35Å; D95-K98 VanDerWaalsContact O-N 3.15Å; D95-K98 WeakPolarHBondContact OD1-CD 3.21Å; D95-K98 WeakPolarHBondContact OD1-CE 3.33Å; D95-K98 IonicContact OD1-NZ 3.89Å; D95-K98 PolarHBondContact OD1-NZ 3.27Å; D95-V99 PolarHBondContact O-N 3.12Å; D95-Y349 HydrophobicContact CB-CD1 4.21Å; D95-Y349 HydrophobicContact CB-CD2 4.47Å; D95-Y349 HydrophobicContact CB-CG 3.92Å
96F95.9Very high96.2Very high19 Ų1940.8 Ų40.88%0.08323%0.228CC..Hα-helixtrans-61.4-46.5173.2-178.2-138.7000111.1E54 I57 I58 T92 G94 K98 V99 L100 D348E54-F96 HydrophobicContact CB-CD1 4.41Å; E54-F96 HydrophobicContact CB-CE1 3.58Å; E54-F96 HydrophobicContact CB-CZ 3.78Å; E54-F96 HydrophobicContact CG-CD1 3.97Å; E54-F96 HydrophobicContact CG-CE1 3.39Å; E54-F96 HydrophobicContact CG-CZ 4.13Å; I57-F96 HydrophobicContact CG2-CZ 4.47Å; I58-F96 HydrophobicContact CD1-CE2 3.72Å; I58-F96 HydrophobicContact CD1-CZ 4.11Å; I58-F96 HydrophobicContact CG1-CE2 3.58Å; I58-F96 HydrophobicContact CG1-CZ 3.94Å; T92-F96 HydrophobicContact CG2-CD1 3.79Å; T92-F96 HydrophobicContact CG2-CE1 3.56Å; T92-F96 HydrophobicContact CG2-CZ 4.5Å; G94-F96 VanDerWaalsContact C-N 3.32Å; F96-K98 VanDerWaalsContact C-N 3.29Å; F96-K98 PolarHBondContact O-N 3.5Å; F96-V99 HydrophobicContact CD2-CG1 4.23Å; F96-V99 WeakPolarHBondContact O-CG1 3.37Å; F96-V99 PolarHBondContact O-N 2.64Å; F96-L100 HydrophobicContact CD1-CD1 4.22Å; F96-L100 HydrophobicContact CD2-CD1 4.09Å; F96-L100 HydrophobicContact CD2-CG 4.02Å; F96-L100 HydrophobicContact CE1-CD1 3.78Å; F96-L100 HydrophobicContact CE2-CD1 3.65Å; F96-L100 HydrophobicContact CE2-CD2 3.86Å; F96-L100 HydrophobicContact CE2-CG 3.66Å; F96-L100 HydrophobicContact CG-CD1 4.36Å; F96-L100 HydrophobicContact CZ-CD1 3.5Å; F96-L100 HydrophobicContact CZ-CD2 4.22Å; F96-L100 HydrophobicContact CZ-CG 4.04Å; F96-L100 WeakPolarHBondContact O-CG 3.28Å; F96-L100 PolarHBondContact O-N 3.03Å; F96-D348 HydrophobicContact CB-CB 3.9Å; F96-D348 HydrophobicContact CD1-CB 3.88Å; F96-D348 HydrophobicContact CD2-CB 3.56Å; F96-D348 HydrophobicContact CE1-CB 4.29Å; F96-D348 HydrophobicContact CE2-CB 4Å; F96-D348 HydrophobicContact CG-CB 3.5Å; F96-D348 VanDerWaalsContact CG-CB 3.5Å; F96-D348 HydrophobicContact CZ-CB 4.33Å
97R96.6Very high96.2Very high94 Ų9436.5 Ų36.536%0.35521%0.205SC..Hα-helixtrans-59-40.4172.6-177.4172.963.1-168.20.6112.6K89 T92 S93 G94 C101K89-R97 HydrophobicContact CG-CG 4.29Å; K89-R97 VanDerWaalsContact O-CD 3.29Å; K89-R97 WeakPolarHBondContact O-CD 3.33Å; T92-R97 WeakPolarHBondContact O-CD 3.48Å; T92-R97 WeakPolarHBondContact OG1-CA 3.25Å; T92-R97 VanDerWaalsContact OG1-CB 3.3Å; T92-R97 WeakPolarHBondContact OG1-CB 3.27Å; S93-R97 PolarHBondContact O-N 3.15Å; G94-R97 PolarHBondContact O-N 3.13Å; R97-C101 WeakPolarHBondContact O-CB 3.24Å; R97-C101 PolarHBondContact O-N 3.46Å; R97-C101 PolarHBondContact O-SG 2.94Å
98K95Very high96.3Very high76 Ų7635.4 Ų35.433%0.3320%0.199SC..Hα-helixtrans-60.3-49.9-179.9-68.1178-170.3160.30110.9G94 D95 F96 C101 Q102G94-K98 PolarHBondContact O-N 2.93Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 3.35Å; D95-K98 VanDerWaalsContact O-N 3.15Å; D95-K98 WeakPolarHBondContact OD1-CD 3.21Å; D95-K98 WeakPolarHBondContact OD1-CE 3.33Å; D95-K98 IonicContact OD1-NZ 3.89Å; D95-K98 PolarHBondContact OD1-NZ 3.27Å; F96-K98 VanDerWaalsContact C-N 3.29Å; F96-K98 PolarHBondContact O-N 3.5Å; K98-C101 PolarHBondContact O-N 3.03Å; K98-Q102 PolarHBondContact O-N 3.35Å; K98-Q102 VanDerWaalsContact O-N 3.13Å
99V96.6Very high96.4Very high0 Ų036.8 Ų36.80%020%0.204CC..Hα-helixtrans-67.5-40.4-17967.20000111.9D95 F96 C101 Q102 L103 M311 I315 Y349 T352 L353D95-V99 PolarHBondContact O-N 3.12Å; F96-V99 HydrophobicContact CD2-CG1 4.23Å; F96-V99 WeakPolarHBondContact O-CG1 3.37Å; F96-V99 PolarHBondContact O-N 2.64Å; V99-C101 VanDerWaalsContact C-N 3.31Å; V99-C101 PolarHBondContact O-N 3.49Å; V99-Q102 WeakPolarHBondContact O-CB 3.18Å; V99-Q102 PolarHBondContact O-N 3.4Å; V99-L103 WeakPolarHBondContact O-CB 3.22Å; V99-L103 PolarHBondContact O-N 3.31Å; V99-M311 HydrophobicContact CB-SD 4.21Å; V99-M311 HydrophobicContact CG2-CB 4.31Å; V99-M311 HydrophobicContact CG2-SD 4.37Å; V99-I315 HydrophobicContact CG2-CD1 4.43Å; V99-Y349 HydrophobicContact CB-CD2 3.77Å; V99-Y349 HydrophobicContact CB-CE2 4.07Å; V99-Y349 HydrophobicContact CG1-CD2 3.85Å; V99-Y349 HydrophobicContact CG2-CD2 4.33Å; V99-Y349 HydrophobicContact CG2-CE2 4.36Å; V99-T352 HydrophobicContact CG1-CG2 3.94Å; V99-T352 HydrophobicContact CG2-CG2 3.77Å; V99-L353 HydrophobicContact CG2-CD2 4.17Å
100L97.6Very high96.5Very high1 Ų131.7 Ų31.71%0.00518%0.182CC..Hα-helixtrans-59.6-43.5174.7-71.5178.7000111.7I57 L61 L88 T92 F96 Q102 L103 I104I57-L100 HydrophobicContact CG2-CD1 4.19Å; I57-L100 HydrophobicContact CG2-CD2 3.75Å; L61-L100 HydrophobicContact CD1-CD2 3.95Å; L88-L100 HydrophobicContact CD2-CD1 4.16Å; T92-L100 HydrophobicContact CG2-CD1 3.71Å; F96-L100 HydrophobicContact CD1-CD1 4.22Å; F96-L100 HydrophobicContact CD2-CD1 4.09Å; F96-L100 HydrophobicContact CD2-CG 4.02Å; F96-L100 HydrophobicContact CE1-CD1 3.78Å; F96-L100 HydrophobicContact CE2-CD1 3.65Å; F96-L100 HydrophobicContact CE2-CD2 3.86Å; F96-L100 HydrophobicContact CE2-CG 3.66Å; F96-L100 HydrophobicContact CG-CD1 4.36Å; F96-L100 HydrophobicContact CZ-CD1 3.5Å; F96-L100 HydrophobicContact CZ-CD2 4.22Å; F96-L100 HydrophobicContact CZ-CG 4.04Å; F96-L100 WeakPolarHBondContact O-CG 3.28Å; F96-L100 PolarHBondContact O-N 3.03Å; L100-Q102 PolarHBondContact O-N 3.33Å; L100-L103 PolarHBondContact O-N 2.87Å; L100-I104 VanDerWaalsContact O-CG1 3.24Å; L100-I104 WeakPolarHBondContact O-CG1 3.36Å; L100-I104 PolarHBondContact O-N 3.29Å
101C95.9Very high96.6Very high24 Ų2427.5 Ų27.516%0.16215%0.153CC..Hα-helixtrans-64.6-23.3175-75.70000113.8R97 K98 V99 V105R97-C101 WeakPolarHBondContact O-CB 3.24Å; R97-C101 PolarHBondContact O-N 3.46Å; R97-C101 PolarHBondContact O-SG 2.94Å; K98-C101 PolarHBondContact O-N 3.03Å; V99-C101 VanDerWaalsContact C-N 3.31Å; V99-C101 PolarHBondContact O-N 3.49Å; C101-V105 WeakPolarHBondContact O-CG2 3.46Å
102Q96.7Very high96.8Very high8 Ų824.5 Ų24.54%0.03714%0.137CC..Hα-helixtrans-79.8-35.4169.9-64.1-47.6-87.300111.5K98 V99 L100 M110 Y308 M311 I315K98-Q102 PolarHBondContact O-N 3.35Å; K98-Q102 VanDerWaalsContact O-N 3.13Å; V99-Q102 WeakPolarHBondContact O-CB 3.18Å; V99-Q102 PolarHBondContact O-N 3.4Å; L100-Q102 PolarHBondContact O-N 3.33Å; Q102-M110 HydrophobicContact CB-CG 4.25Å; Q102-Y308 HydrophobicContact CG-CD1 4.29Å; Q102-Y308 HydrophobicContact CG-CE1 3.99Å; Q102-M311 HydrophobicContact CB-SD 4.33Å; Q102-M311 HydrophobicContact CG-CG 4.3Å; Q102-M311 HydrophobicContact CG-SD 3.57Å; Q102-M311 VanDerWaalsContact CG-SD 3.57Å; Q102-I315 HydrophobicContact CB-CD1 3.76Å
103L97.6Very high96.8Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-75-43.4-172.2-160.360.8000112.6L61 A62 R69 V99 L100 V105 I315 T352 L356L61-L103 HydrophobicContact CB-CD2 3.64Å; L61-L103 HydrophobicContact CB-CG 4.32Å; A62-L103 HydrophobicContact CB-CD2 4.18Å; R69-L103 VanDerWaalsContact CD-O 3.31Å; R69-L103 WeakPolarHBondContact CD-O 3.48Å; R69-L103 PolarHBondContact NE-O 3.32Å; V99-L103 WeakPolarHBondContact O-CB 3.22Å; V99-L103 PolarHBondContact O-N 3.31Å; L100-L103 PolarHBondContact O-N 2.87Å; L103-V105 VanDerWaalsContact C-N 3.33Å; L103-V105 PolarHBondContact O-N 2.93Å; L103-I315 HydrophobicContact CD1-CD1 4.09Å; L103-I315 HydrophobicContact CD1-CG1 3.87Å; L103-I315 HydrophobicContact CD1-CG2 4.11Å; L103-T352 HydrophobicContact CD2-CG2 4.27Å; L103-L356 HydrophobicContact CD1-CD2 4.03Å
104I97.3Very high96.9Very high6 Ų622.8 Ų22.83%0.03112%0.119CC..SBendtrans-79.7-14-177.360.284.3000114.3L61 Q70 K85 L88 L100L61-I104 HydrophobicContact CD1-CG2 3.67Å; L61-I104 HydrophobicContact CD2-CG2 4.12Å; L61-I104 HydrophobicContact CG-CG2 4.49Å; Q70-I104 PolarHBondContact NE2-O 3.37Å; K85-I104 HydrophobicContact CB-CD1 3.46Å; K85-I104 VanDerWaalsContact CB-CD1 3.46Å; K85-I104 HydrophobicContact CD-CD1 3.76Å; K85-I104 HydrophobicContact CG-CD1 3.54Å; L88-I104 HydrophobicContact CD1-CG1 4.41Å; L88-I104 HydrophobicContact CD1-CG2 3.57Å; L100-I104 VanDerWaalsContact O-CG1 3.24Å; L100-I104 WeakPolarHBondContact O-CG1 3.36Å; L100-I104 PolarHBondContact O-N 3.29Å
105V97Very high97.1Very high17 Ų1720.7 Ų20.710%0.10310%0.098CC..SBendtrans-85.4139.6-179.8169.10000108.5K85 C101 L103 T107 Y109 M110K85-V105 HydrophobicContact CD-CG2 4.29Å; C101-V105 WeakPolarHBondContact O-CG2 3.46Å; L103-V105 VanDerWaalsContact C-N 3.33Å; L103-V105 PolarHBondContact O-N 2.93Å; V105-T107 PolarHBondContact O-N 3.4Å; V105-Y109 HydrophobicContact CG1-CD1 3.34Å; V105-Y109 HydrophobicContact CG1-CE1 4.18Å; V105-Y109 HydrophobicContact CG1-CG 3.87Å; V105-M110 HydrophobicContact CG1-CB 4.3Å
106D98.4Very high97.3Very high26 Ų2618 Ų1814%0.1398%0.083CC..  trans-54.5130.4177.5-167.423.4000111.3S5 G6 N66 Q70 P108 Y109 M110S5-D106 WeakPolarHBondContact CA-OD2 3.43Å; S5-D106 VanDerWaalsContact CB-OD1 3.25Å; S5-D106 WeakPolarHBondContact CB-OD1 3.37Å; S5-D106 PolarHBondContact OG-OD1 3.37Å; G6-D106 PolarHBondContact N-OD2 2.75Å; N66-D106 PolarHBondContact ND2-OD1 2.83Å; Q70-D106 HydrophobicContact CG-CB 4.14Å; D106-P108 HydrophobicContact CB-CG 4.46Å; D106-P108 WeakPolarHBondContact OD1-CD 3.39Å; D106-P108 VanDerWaalsContact OD2-CG 3.23Å; D106-P108 WeakPolarHBondContact OD2-CG 2.98Å; D106-Y109 WeakPolarHBondContact O-CA 3.48Å; D106-Y109 WeakPolarHBondContact O-CB 3.43Å; D106-Y109 PolarHBondContact O-N 3.31Å; D106-M110 PolarHBondContact O-N 3.46Å
107T98.6Very high97.2Very high2 Ų223.1 Ų23.11%0.01210%0.102CC..Hα-helixtrans-43.7-49.9-176.3-610000114.1F7 N66 V105 Y109 M110 L111 T316F7-T107 HydrophobicContact CD2-CG2 3.83Å; F7-T107 HydrophobicContact CE2-CG2 3.42Å; F7-T107 VanDerWaalsContact CE2-CG2 3.42Å; F7-T107 HydrophobicContact CZ-CG2 4.28Å; N66-T107 WeakPolarHBondContact CB-OG1 3.49Å; N66-T107 PolarHBondContact ND2-OG1 3.26Å; N66-T107 PolarHBondContact OD1-N 3.09Å; N66-T107 VanDerWaalsContact OD1-N 3.1Å; N66-T107 PolarHBondContact OD1-OG1 3.32Å; V105-T107 PolarHBondContact O-N 3.4Å; T107-Y109 VanDerWaalsContact C-N 3.3Å; T107-Y109 PolarHBondContact O-N 3.36Å; T107-M110 HydrophobicContact CG2-CE 4.48Å; T107-M110 PolarHBondContact O-N 3.29Å; T107-M110 VanDerWaalsContact O-N 3.15Å; T107-L111 HydrophobicContact CG2-CD1 3.94Å; T107-L111 HydrophobicContact CG2-CG 4.19Å; T107-L111 WeakPolarHBondContact O-CG 3.48Å; T107-L111 PolarHBondContact O-N 3.2Å; T107-T316 HydrophobicContact CG2-CG2 4.23Å
108P98.5Very high97.1Very high3 Ų319 Ų192%0.0199%0.088CC..Hα-helixtrans-56.8-39.8177.318.3-32.2000113.6F7 D106 A112 A143 V144 A147F7-P108 HydrophobicContact CD1-CB 4.03Å; F7-P108 HydrophobicContact CD1-CG 3.92Å; F7-P108 HydrophobicContact CE1-CB 3.65Å; F7-P108 HydrophobicContact CE1-CG 4.06Å; F7-P108 HydrophobicContact CG-CG 4.43Å; F7-P108 HydrophobicContact CZ-CB 4.23Å; D106-P108 HydrophobicContact CB-CG 4.46Å; D106-P108 WeakPolarHBondContact OD1-CD 3.39Å; D106-P108 VanDerWaalsContact OD2-CG 3.23Å; D106-P108 WeakPolarHBondContact OD2-CG 2.98Å; P108-A112 WeakPolarHBondContact O-CB 3.41Å; P108-A112 PolarHBondContact O-N 2.96Å; P108-A143 HydrophobicContact CB-CB 4.14Å; P108-V144 HydrophobicContact CB-CG2 4.05Å; P108-A147 HydrophobicContact CB-CB 4.14Å
109Y98.4Very high97.1Very high31 Ų3115.6 Ų15.612%0.1227%0.074CC..Hα-helixtrans-70.3-40.5176.2-174.7-72.5000111.7V105 D106 T107 L111 A112 K113 Q150 V151 D154V105-Y109 HydrophobicContact CG1-CD1 3.34Å; V105-Y109 HydrophobicContact CG1-CE1 4.18Å; V105-Y109 HydrophobicContact CG1-CG 3.87Å; D106-Y109 WeakPolarHBondContact O-CA 3.48Å; D106-Y109 WeakPolarHBondContact O-CB 3.43Å; D106-Y109 PolarHBondContact O-N 3.31Å; T107-Y109 VanDerWaalsContact C-N 3.3Å; T107-Y109 PolarHBondContact O-N 3.36Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 3.17Å; Y109-A112 PolarHBondContact O-N 3.47Å; Y109-K113 HydrophobicContact CD1-CB 4.47Å; Y109-K113 HydrophobicContact CE1-CB 4.39Å; Y109-K113 HydrophobicContact CE1-CD 4.05Å; Y109-K113 VanDerWaalsContact O-CB 3.27Å; Y109-K113 WeakPolarHBondContact O-CB 3.49Å; Y109-K113 PolarHBondContact O-N 3.21Å; Y109-Q150 HydrophobicContact CD2-CG 4.48Å; Y109-Q150 HydrophobicContact CE2-CG 4.16Å; Y109-V151 HydrophobicContact CD1-CG2 4.3Å; Y109-V151 HydrophobicContact CD2-CG2 3.98Å; Y109-V151 HydrophobicContact CE1-CG2 4.09Å; Y109-V151 HydrophobicContact CE2-CG2 3.71Å; Y109-V151 HydrophobicContact CG-CG2 4.29Å; Y109-D154 VanDerWaalsContact CE2-OD2 3.22Å; Y109-D154 WeakPolarHBondContact CE2-OD2 3.23Å; Y109-D154 VanDerWaalsContact CZ-OD2 3.27Å; Y109-D154 PolarHBondContact OH-OD2 2.97Å
110M98.2Very high96.7Very high2 Ų221 Ų211%0.0110%0.097CC..Hα-helixtrans-58.8-45.2176.3-178.8-80.1-70.400111.3Q102 V105 D106 T107 S114 R312 T316Q102-M110 HydrophobicContact CB-CG 4.25Å; V105-M110 HydrophobicContact CG1-CB 4.3Å; D106-M110 PolarHBondContact O-N 3.46Å; T107-M110 HydrophobicContact CG2-CE 4.48Å; T107-M110 PolarHBondContact O-N 3.29Å; T107-M110 VanDerWaalsContact O-N 3.15Å; M110-S114 PolarHBondContact O-N 3.09Å; M110-S114 VanDerWaalsContact O-N 3.11Å; M110-S114 PolarHBondContact O-OG 2.94Å; M110-S114 VanDerWaalsContact O-OG 3.07Å; M110-R312 HydrophobicContact CE-CG 4.04Å; M110-R312 HydrophobicContact SD-CB 4.37Å; M110-R312 HydrophobicContact SD-CG 3.85Å; M110-T316 HydrophobicContact CE-CG2 3.59Å
111L98.5Very high95.9Very high2 Ų223.7 Ų23.71%0.0113%0.125CC..Hα-helixtrans-67.7-45.8176-64.1-179.7000111.8F7 T107 Y109 K113 S114 L115 I132 L136 V144 R312 T316F7-L111 HydrophobicContact CE2-CD1 4.39Å; F7-L111 HydrophobicContact CZ-CD1 4.22Å; T107-L111 HydrophobicContact CG2-CD1 3.94Å; T107-L111 HydrophobicContact CG2-CG 4.19Å; T107-L111 WeakPolarHBondContact O-CG 3.48Å; T107-L111 PolarHBondContact O-N 3.2Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 3.17Å; L111-K113 VanDerWaalsContact C-N 3.29Å; L111-K113 PolarHBondContact O-N 3.11Å; L111-S114 WeakPolarHBondContact O-CA 3.46Å; L111-S114 WeakPolarHBondContact O-CB 3.47Å; L111-S114 PolarHBondContact O-N 2.99Å; L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 3.25Å; L111-I132 HydrophobicContact CB-CG2 4.23Å; L111-I132 HydrophobicContact CD2-CD1 4.3Å; L111-I132 HydrophobicContact CD2-CG1 4.23Å; L111-I132 HydrophobicContact CD2-CG2 4.45Å; L111-L136 HydrophobicContact CD1-CD2 3.85Å; L111-V144 HydrophobicContact CB-CG2 4.12Å; L111-V144 HydrophobicContact CD1-CG2 4.24Å; L111-R312 HydrophobicContact CD2-CG 3.91Å; L111-T316 HydrophobicContact CD2-CG2 4.08Å
112A98.5Very high95.3Very high0 Ų031.5 Ų31.50%016%0.164CC..Hα-helixtrans-59.2-39.1177.100000112.7P108 Y109 S114 L115 Y116 V144 A147 Y148 V151P108-A112 WeakPolarHBondContact O-CB 3.41Å; P108-A112 PolarHBondContact O-N 2.96Å; Y109-A112 PolarHBondContact O-N 3.47Å; A112-S114 VanDerWaalsContact C-N 3.35Å; A112-L115 PolarHBondContact O-N 3.39Å; A112-Y116 WeakPolarHBondContact O-CB 3.5Å; A112-Y116 PolarHBondContact O-N 2.93Å; A112-V144 HydrophobicContact CB-CG1 4.22Å; A112-A147 HydrophobicContact CB-CB 3.92Å; A112-Y148 HydrophobicContact CB-CD2 4.37Å; A112-Y148 WeakPolarHBondContact O-CD2 3.46Å; A112-V151 HydrophobicContact CB-CG2 4.15Å
113K97.2Very high94.8Very high48 Ų4833.8 Ų33.821%0.20919%0.19CC..Hα-helixtrans-67.5-35.8175.3-171.9177.9-179.81800112.1Y109 L111 Y116 Y117 V151Y109-K113 HydrophobicContact CD1-CB 4.47Å; Y109-K113 HydrophobicContact CE1-CB 4.39Å; Y109-K113 HydrophobicContact CE1-CD 4.05Å; Y109-K113 VanDerWaalsContact O-CB 3.27Å; Y109-K113 WeakPolarHBondContact O-CB 3.49Å; Y109-K113 PolarHBondContact O-N 3.21Å; L111-K113 VanDerWaalsContact C-N 3.29Å; L111-K113 PolarHBondContact O-N 3.11Å; K113-Y116 PolarHBondContact O-N 3.09Å; K113-Y117 HydrophobicContact CD-CE2 4.35Å; K113-Y117 HydrophobicContact CG-CD2 4.06Å; K113-Y117 HydrophobicContact CG-CE2 3.76Å; K113-Y117 WeakPolarHBondContact O-CD2 3.31Å; K113-Y117 PolarHBondContact O-N 3.22Å; K113-Y117 VanDerWaalsContact O-N 3.14Å; K113-V151 HydrophobicContact CB-CG2 4.09Å
114S96.4Very high94.5Very high11 Ų1135.5 Ų35.58%0.07720%0.2CC..Hα-helixtrans-65.8-43.7173.5-62.50000111.3M110 L111 A112 Y116 Y117 A118M110-S114 PolarHBondContact O-N 3.09Å; M110-S114 VanDerWaalsContact O-N 3.11Å; M110-S114 PolarHBondContact O-OG 2.94Å; M110-S114 VanDerWaalsContact O-OG 3.07Å; L111-S114 WeakPolarHBondContact O-CA 3.46Å; L111-S114 WeakPolarHBondContact O-CB 3.47Å; L111-S114 PolarHBondContact O-N 2.99Å; A112-S114 VanDerWaalsContact C-N 3.35Å; S114-Y116 VanDerWaalsContact C-N 3.34Å; S114-Y116 PolarHBondContact O-N 3.44Å; S114-Y117 PolarHBondContact O-N 2.91Å; S114-A118 WeakPolarHBondContact O-CB 3.39Å; S114-A118 PolarHBondContact O-N 3.41Å
115L97.3Very high94.3Very high0 Ų037.8 Ų37.80%021%0.213CC..Hα-helixtrans-60.1-42.9172.9-68.4172.5000111.7L111 A112 Y117 A118 M119 L129 I132 F133 V144 Y148 L164L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 3.25Å; A112-L115 PolarHBondContact O-N 3.39Å; L115-Y117 PolarHBondContact O-N 3.33Å; L115-A118 WeakPolarHBondContact O-CB 3.07Å; L115-A118 PolarHBondContact O-N 3.42Å; L115-A118 VanDerWaalsContact O-N 3.15Å; L115-M119 HydrophobicContact CB-CE 4.26Å; L115-M119 WeakPolarHBondContact O-CE 3.37Å; L115-M119 PolarHBondContact O-N 2.95Å; L115-M119 VanDerWaalsContact O-N 3.07Å; L115-L129 HydrophobicContact CD2-CD2 3.56Å; L115-I132 HydrophobicContact CD1-CG2 4.05Å; L115-I132 HydrophobicContact CD2-CB 3.99Å; L115-I132 HydrophobicContact CD2-CD1 3.93Å; L115-I132 HydrophobicContact CD2-CG2 3.98Å; L115-I132 HydrophobicContact CG-CB 4.49Å; L115-I132 HydrophobicContact CG-CD1 3.93Å; L115-I132 HydrophobicContact CG-CG2 4.05Å; L115-F133 HydrophobicContact CD1-CD1 4.5Å; L115-F133 HydrophobicContact CD1-CE1 3.59Å; L115-F133 HydrophobicContact CD1-CZ 3.95Å; L115-F133 HydrophobicContact CD2-CE1 3.84Å; L115-F133 HydrophobicContact CD2-CE2 4.01Å; L115-F133 HydrophobicContact CD2-CZ 3.57Å; L115-F133 HydrophobicContact CG-CE1 4.39Å; L115-F133 HydrophobicContact CG-CZ 4.39Å; L115-V144 HydrophobicContact CD1-CG1 3.64Å; L115-Y148 HydrophobicContact CB-CD2 4.22Å; L115-Y148 HydrophobicContact CB-CE2 4.07Å; L115-L164 HydrophobicContact CB-CD1 4.45Å; L115-L164 HydrophobicContact CD1-CD1 4.12Å; L115-L164 HydrophobicContact CD1-CD2 4.25Å
116Y97Very high94.1Very high8 Ų838.7 Ų38.73%0.03122%0.217CC..Hα-helixtrans-58.7-46.8178.3173.2-94.8000111.7A112 K113 S114 A118 M119 K120 V151 L152 K155A112-Y116 WeakPolarHBondContact O-CB 3.5Å; A112-Y116 PolarHBondContact O-N 2.93Å; K113-Y116 PolarHBondContact O-N 3.09Å; S114-Y116 VanDerWaalsContact C-N 3.34Å; S114-Y116 PolarHBondContact O-N 3.44Å; Y116-A118 VanDerWaalsContact C-N 3.34Å; Y116-M119 PolarHBondContact O-N 3.4Å; Y116-K120 HydrophobicContact CD1-CB 4.49Å; Y116-K120 HydrophobicContact CD1-CD 4.28Å; Y116-K120 HydrophobicContact CE1-CB 4.3Å; Y116-K120 HydrophobicContact CE1-CD 3.34Å; Y116-K120 HydrophobicContact CE1-CG 4.46Å; Y116-K120 HydrophobicContact CE2-CD 4.17Å; Y116-K120 WeakPolarHBondContact O-CA 3.05Å; Y116-K120 WeakPolarHBondContact O-CB 3.44Å; Y116-K120 PolarHBondContact O-N 2.65Å; Y116-K120 WeakPolarHBondContact OH-CD 3.49Å; Y116-K120 WeakPolarHBondContact OH-CE 3.26Å; Y116-K120 PolarHBondContact OH-NZ 2.9Å; Y116-V151 HydrophobicContact CD1-CG1 4.21Å; Y116-V151 HydrophobicContact CD2-CG1 4.11Å; Y116-V151 HydrophobicContact CG-CG1 3.77Å; Y116-L152 HydrophobicContact CD2-CD2 3.96Å; Y116-L152 HydrophobicContact CE2-CD2 3.76Å; Y116-K155 HydrophobicContact CD1-CG 4.46Å; Y116-K155 HydrophobicContact CE1-CB 4.45Å; Y116-K155 HydrophobicContact CE1-CD 3.83Å; Y116-K155 HydrophobicContact CE1-CG 3.73Å; Y116-K155 HydrophobicContact CE2-CB 4.45Å; Y116-K155 HydrophobicContact CE2-CG 4.32Å; Y116-K155 WeakPolarHBondContact OH-CB 3.37Å
117Y94.5Very high93.8Very high127 Ų12741.8 Ų41.850%0.49823%0.227SC..Hα-helixtrans-74.8-22.9177.1-71-60.3000113.7K113 S114 L115 M119 K155K113-Y117 HydrophobicContact CD-CE2 4.35Å; K113-Y117 HydrophobicContact CG-CD2 4.06Å; K113-Y117 HydrophobicContact CG-CE2 3.76Å; K113-Y117 WeakPolarHBondContact O-CD2 3.31Å; K113-Y117 PolarHBondContact O-N 3.22Å; K113-Y117 VanDerWaalsContact O-N 3.14Å; S114-Y117 PolarHBondContact O-N 2.91Å; L115-Y117 PolarHBondContact O-N 3.33Å; Y117-M119 VanDerWaalsContact C-N 3.29Å; Y117-K155 WeakPolarHBondContact OH-CE 3.44Å
118A94.1Very high93.7Very high6 Ų642.3 Ų42.35%0.0523%0.23CC..Hα-helixtrans-69.3-29.9173.100000112.4S114 L115 Y116 T124 N125 V128 L129S114-A118 WeakPolarHBondContact O-CB 3.39Å; S114-A118 PolarHBondContact O-N 3.41Å; L115-A118 WeakPolarHBondContact O-CB 3.07Å; L115-A118 PolarHBondContact O-N 3.42Å; L115-A118 VanDerWaalsContact O-N 3.15Å; Y116-A118 VanDerWaalsContact C-N 3.34Å; A118-T124 WeakPolarHBondContact O-CA 3.25Å; A118-N125 HydrophobicContact CB-CB 4.04Å; A118-N125 PolarHBondContact O-N 3.03Å; A118-V128 HydrophobicContact CB-CB 3.86Å; A118-V128 HydrophobicContact CB-CG1 3.82Å; A118-L129 HydrophobicContact CB-CD2 3.99Å
119M94.7Very high93.6Very high6 Ų642.1 Ų42.13%0.0323%0.229CC..Hα-helixtrans-99.9-20.6178.1-71.1-175.6-70.700113.3L115 Y116 Y117 T124 L129 Y148 L164 D167 M168 E171L115-M119 HydrophobicContact CB-CE 4.26Å; L115-M119 WeakPolarHBondContact O-CE 3.37Å; L115-M119 PolarHBondContact O-N 2.95Å; L115-M119 VanDerWaalsContact O-N 3.07Å; Y116-M119 PolarHBondContact O-N 3.4Å; Y117-M119 VanDerWaalsContact C-N 3.29Å; M119-T124 HydrophobicContact CG-CG2 4.43Å; M119-L129 HydrophobicContact CG-CD1 4.45Å; M119-L129 HydrophobicContact CG-CD2 4.08Å; M119-L129 HydrophobicContact SD-CD2 4.49Å; M119-Y148 HydrophobicContact CE-CE2 3.53Å; M119-Y148 VanDerWaalsContact CE-OH 3.22Å; M119-Y148 WeakPolarHBondContact CE-OH 3.16Å; M119-L164 HydrophobicContact CE-CD1 3.49Å; M119-L164 VanDerWaalsContact CE-CD1 3.49Å; M119-D167 HydrophobicContact CE-CB 4.21Å; M119-D167 HydrophobicContact SD-CB 4.06Å; M119-M168 HydrophobicContact CE-CG 4.25Å; M119-M168 HydrophobicContact SD-CB 4.32Å; M119-M168 HydrophobicContact SD-CG 3.48Å; M119-M168 WeakPolarHBondContact SD-CG 3.25Å; M119-E171 HydrophobicContact CB-CG 3.97Å; M119-E171 HydrophobicContact CG-CB 4.4Å; M119-E171 HydrophobicContact CG-CG 4.15Å
120K88.4Confident93.6Very high113 Ų11341.1 Ų41.149%0.49123%0.225SC..SBendtrans-91.7110.7178-177.7178.1-177.5-178.20110.6Y116Y116-K120 HydrophobicContact CD1-CB 4.49Å; Y116-K120 HydrophobicContact CD1-CD 4.28Å; Y116-K120 HydrophobicContact CE1-CB 4.3Å; Y116-K120 HydrophobicContact CE1-CD 3.34Å; Y116-K120 HydrophobicContact CE1-CG 4.46Å; Y116-K120 HydrophobicContact CE2-CD 4.17Å; Y116-K120 WeakPolarHBondContact O-CA 3.05Å; Y116-K120 WeakPolarHBondContact O-CB 3.44Å; Y116-K120 PolarHBondContact O-N 2.65Å; Y116-K120 WeakPolarHBondContact OH-CD 3.49Å; Y116-K120 WeakPolarHBondContact OH-CE 3.26Å; Y116-K120 PolarHBondContact OH-NZ 2.9Å
121G81.7Confident93.6Very high57 Ų5741.4 Ų41.459%0.58823%0.227SC*.SBendtrans149.6-157.517000000111.9
122L82.8Confident93.5Very high188 Ų18841.3 Ų41.398%0.98423%0.226SC*.SBendtrans-84.5111.7169.9-69.4174.5000108.7
123G86.4Confident93.5Very high57 Ų5741.4 Ų41.459%0.58823%0.227SC*.SBendtrans77.3167.9-176.500000113.1
124T90.7Very high93.6Very high35 Ų3539.1 Ų39.122%0.21522%0.217CC..  trans-105.1137.1-178.9-45.70000109.4A118 M119 D126 L129 E171 T172A118-T124 WeakPolarHBondContact O-CA 3.25Å; M119-T124 HydrophobicContact CG-CG2 4.43Å; T124-D126 PolarHBondContact O-N 3.5Å; T124-L129 HydrophobicContact CG2-CD1 3.7Å; T124-E171 HydrophobicContact CG2-CB 4.13Å; T124-E171 PolarHBondContact OG1-O 2.92Å; T124-E171 PolarHBondContact OG1-OE2 3.47Å; T124-T172 HydrophobicContact CG2-CG2 4.45Å
125N92.2Very high93.7Very high55 Ų5538.9 Ų38.929%0.29422%0.215SC..  trans-91.774.7173.7-167.9-18.8000110.1A118 R127 V128 L129A118-N125 HydrophobicContact CB-CB 4.04Å; A118-N125 PolarHBondContact O-N 3.03Å; N125-R127 PolarHBondContact O-N 2.9Å; N125-R127 VanDerWaalsContact O-N 3.14Å; N125-V128 HydrophobicContact CB-CG2 4.37Å; N125-V128 PolarHBondContact O-N 3.5Å; N125-V128 PolarHBondContact OD1-N 2.86Å; N125-L129 PolarHBondContact O-N 3.35Å
126D93.5Very high93.8Very high35 Ų3539.1 Ų39.119%0.18722%0.216CC..Hα-helixtrans-58.1-27.5-176.6-64.2-62.4000113.4T124 V128 L129 I130 Y176T124-D126 PolarHBondContact O-N 3.5Å; D126-V128 VanDerWaalsContact C-N 3.33Å; D126-V128 PolarHBondContact O-N 2.89Å; D126-L129 PolarHBondContact O-N 2.92Å; D126-I130 WeakPolarHBondContact O-CB 3.2Å; D126-I130 VanDerWaalsContact O-CG1 3.26Å; D126-I130 WeakPolarHBondContact O-CG1 3.19Å; D126-I130 PolarHBondContact O-N 2.97Å; D126-Y176 HydrophobicContact CB-CE1 4.27Å; D126-Y176 WeakPolarHBondContact CB-OH 3.38Å; D126-Y176 PolarHBondContact O-OH 3.01Å; D126-Y176 WeakPolarHBondContact OD1-CE1 3Å; D126-Y176 PolarHBondContact OD1-OH 3.49Å
127R93.4Very high93.8Very high91 Ų9139 Ų3934%0.34322%0.215SC..Hα-helixtrans-59.3-43.9172.7177.8-178.2168.6120.14.3111.6N125 E131 W295 D298N125-R127 PolarHBondContact O-N 2.9Å; N125-R127 VanDerWaalsContact O-N 3.14Å; R127-E131 VanDerWaalsContact O-CB 3.28Å; R127-E131 WeakPolarHBondContact O-CB 3.21Å; R127-E131 PolarHBondContact O-N 3.38Å; R127-W295 PolarHBondContact NH2-O 3.38Å; R127-W295 VanDerWaalsContact NH2-O 3.13Å; R127-D298 IonicContact CZ-OD2 2.65Å; R127-D298 VanDerWaalsContact NH1-CB 3.25Å; R127-D298 IonicContact NH1-OD2 3.22Å; R127-D298 PolarHBondContact NH1-OD2 3.47Å; R127-D298 IonicContact NH2-OD2 3.73Å
128V94.9Very high94Very high13 Ų1333.2 Ų33.28%0.07919%0.193CC..Hα-helixtrans-69.8-37.5178.2174.70000110.8A118 N125 D126 I132A118-V128 HydrophobicContact CB-CB 3.86Å; A118-V128 HydrophobicContact CB-CG1 3.82Å; N125-V128 HydrophobicContact CB-CG2 4.37Å; N125-V128 PolarHBondContact O-N 3.5Å; N125-V128 PolarHBondContact OD1-N 2.86Å; D126-V128 VanDerWaalsContact C-N 3.33Å; D126-V128 PolarHBondContact O-N 2.89Å; V128-I132 HydrophobicContact CG1-CD1 3.7Å; V128-I132 HydrophobicContact CG1-CG1 4.33Å; V128-I132 WeakPolarHBondContact O-CB 3.31Å; V128-I132 WeakPolarHBondContact O-CG1 3.46Å; V128-I132 PolarHBondContact O-N 3.41Å
129L97Very high94.2Very high0 Ų038.3 Ų38.30%022%0.22CC..Hα-helixtrans-60.6-51.8174.8-58.5-171.4000110.7L115 A118 M119 T124 N125 D126 E131 I132 F133 T172 L180L115-L129 HydrophobicContact CD2-CD2 3.56Å; A118-L129 HydrophobicContact CB-CD2 3.99Å; M119-L129 HydrophobicContact CG-CD1 4.45Å; M119-L129 HydrophobicContact CG-CD2 4.08Å; M119-L129 HydrophobicContact SD-CD2 4.49Å; T124-L129 HydrophobicContact CG2-CD1 3.7Å; N125-L129 PolarHBondContact O-N 3.35Å; D126-L129 PolarHBondContact O-N 2.92Å; L129-E131 PolarHBondContact O-N 2.72Å; L129-I132 PolarHBondContact O-N 3.5Å; L129-F133 HydrophobicContact CB-CD2 4.02Å; L129-F133 HydrophobicContact CB-CE2 3.85Å; L129-F133 HydrophobicContact CD2-CE2 4.03Å; L129-F133 HydrophobicContact CD2-CZ 4.47Å; L129-F133 HydrophobicContact CG-CE2 4.39Å; L129-F133 WeakPolarHBondContact O-CB 3.07Å; L129-F133 WeakPolarHBondContact O-CD2 3.44Å; L129-F133 WeakPolarHBondContact O-CG 3.37Å; L129-F133 PolarHBondContact O-N 3.48Å; L129-T172 HydrophobicContact CD1-CG2 4.08Å; L129-L180 HydrophobicContact CD1-CD1 4.25Å
130I97.8Very high94.4Very high10 Ų1038.3 Ų38.35%0.05122%0.22CC..Hα-helixtrans-59.6-48.1178.9-68165.9000110.8D126 I132 T134 Y176 D273 K276 L277 A280D126-I130 WeakPolarHBondContact O-CB 3.2Å; D126-I130 VanDerWaalsContact O-CG1 3.26Å; D126-I130 WeakPolarHBondContact O-CG1 3.19Å; D126-I130 PolarHBondContact O-N 2.97Å; I130-I132 PolarHBondContact O-N 2.84Å; I130-T134 WeakPolarHBondContact O-CB 3.44Å; I130-T134 PolarHBondContact O-N 2.89Å; I130-T134 PolarHBondContact O-OG1 3.11Å; I130-Y176 HydrophobicContact CD1-CE2 3.99Å; I130-Y176 HydrophobicContact CG1-CE2 3.89Å; I130-D273 HydrophobicContact CD1-CB 4.45Å; I130-K276 HydrophobicContact CD1-CB 3.71Å; I130-L277 HydrophobicContact CD1-CB 4.38Å; I130-L277 HydrophobicContact CG1-CB 4.14Å; I130-L277 HydrophobicContact CG1-CD1 4.14Å; I130-L277 HydrophobicContact CG2-CD1 4.27Å; I130-A280 HydrophobicContact CG2-CB 3.51Å
131E97.8Very high94.9Very high7 Ų733.1 Ų33.13%0.03320%0.197CC..Hα-helixtrans-56.8-49.7179.5-173.1-155.2110.300111.5R127 L129 T135 W295 R312 L313R127-E131 VanDerWaalsContact O-CB 3.28Å; R127-E131 WeakPolarHBondContact O-CB 3.21Å; R127-E131 PolarHBondContact O-N 3.38Å; L129-E131 PolarHBondContact O-N 2.72Å; E131-T135 WeakPolarHBondContact O-CG2 3.42Å; E131-T135 PolarHBondContact O-OG1 2.69Å; E131-W295 HydrophobicContact CB-CE3 4.45Å; E131-W295 HydrophobicContact CB-CZ3 4.25Å; E131-W295 HydrophobicContact CG-CD2 4.46Å; E131-W295 HydrophobicContact CG-CE3 3.72Å; E131-W295 HydrophobicContact CG-CZ3 3.76Å; E131-R312 IonicContact OE1-CZ 3.22Å; E131-R312 VanDerWaalsContact OE1-CZ 3.23Å; E131-R312 IonicContact OE1-NE 3.59Å; E131-R312 PolarHBondContact OE1-NE 3.29Å; E131-R312 IonicContact OE1-NH2 2.75Å; E131-R312 PolarHBondContact OE1-NH2 3.37Å; E131-R312 IonicContact OE2-CZ 2.7Å; E131-R312 IonicContact OE2-NH2 2.83Å; E131-R312 PolarHBondContact OE2-NH2 2.9Å; E131-L313 HydrophobicContact CG-CD2 3.79Å; E131-L313 HydrophobicContact CG-CG 4.49Å
132I98.4Very high95.7Very high1 Ų135.2 Ų35.21%0.00519%0.19CC..Hα-helixtrans-71.4-53.4-175.8-67.6177.9000110.7L111 L115 V128 L129 I130 T134 T135 L136L111-I132 HydrophobicContact CB-CG2 4.23Å; L111-I132 HydrophobicContact CD2-CD1 4.3Å; L111-I132 HydrophobicContact CD2-CG1 4.23Å; L111-I132 HydrophobicContact CD2-CG2 4.45Å; L115-I132 HydrophobicContact CD1-CG2 4.05Å; L115-I132 HydrophobicContact CD2-CB 3.99Å; L115-I132 HydrophobicContact CD2-CD1 3.93Å; L115-I132 HydrophobicContact CD2-CG2 3.98Å; L115-I132 HydrophobicContact CG-CB 4.49Å; L115-I132 HydrophobicContact CG-CD1 3.93Å; L115-I132 HydrophobicContact CG-CG2 4.05Å; V128-I132 HydrophobicContact CG1-CD1 3.7Å; V128-I132 HydrophobicContact CG1-CG1 4.33Å; V128-I132 WeakPolarHBondContact O-CB 3.31Å; V128-I132 WeakPolarHBondContact O-CG1 3.46Å; V128-I132 PolarHBondContact O-N 3.41Å; L129-I132 PolarHBondContact O-N 3.5Å; I130-I132 PolarHBondContact O-N 2.84Å; I132-T134 VanDerWaalsContact C-N 3.31Å; I132-T134 PolarHBondContact O-N 3.42Å; I132-T135 PolarHBondContact O-N 3.37Å; I132-T135 PolarHBondContact O-OG1 2.97Å; I132-L136 HydrophobicContact CG2-CD1 3.82Å; I132-L136 WeakPolarHBondContact O-CG 3.24Å
133F98.4Very high96.4Very high1 Ų127.1 Ų27.10%0.00415%0.15CC..Hα-helixtrans-66.2-31.5-174.3-62.6-47.1000113.5L115 L129 T135 L136 M141 L164 M168 L180 L183 V184L115-F133 HydrophobicContact CD1-CD1 4.5Å; L115-F133 HydrophobicContact CD1-CE1 3.59Å; L115-F133 HydrophobicContact CD1-CZ 3.95Å; L115-F133 HydrophobicContact CD2-CE1 3.84Å; L115-F133 HydrophobicContact CD2-CE2 4.01Å; L115-F133 HydrophobicContact CD2-CZ 3.57Å; L115-F133 HydrophobicContact CG-CE1 4.39Å; L115-F133 HydrophobicContact CG-CZ 4.39Å; L129-F133 HydrophobicContact CB-CD2 4.02Å; L129-F133 HydrophobicContact CB-CE2 3.85Å; L129-F133 HydrophobicContact CD2-CE2 4.03Å; L129-F133 HydrophobicContact CD2-CZ 4.47Å; L129-F133 HydrophobicContact CG-CE2 4.39Å; L129-F133 WeakPolarHBondContact O-CB 3.07Å; L129-F133 WeakPolarHBondContact O-CD2 3.44Å; L129-F133 WeakPolarHBondContact O-CG 3.37Å; L129-F133 PolarHBondContact O-N 3.48Å; F133-T135 PolarHBondContact O-N 2.86Å; F133-L136 HydrophobicContact CD1-CD1 4.47Å; F133-L136 PolarHBondContact O-N 3.35Å; F133-M141 HydrophobicContact CD1-CE 4.16Å; F133-M141 HydrophobicContact CD1-SD 3.68Å; F133-M141 HydrophobicContact CE1-CE 3.89Å; F133-M141 HydrophobicContact CE1-SD 4.02Å; F133-L164 HydrophobicContact CE1-CD2 4.03Å; F133-L164 HydrophobicContact CZ-CD1 4.2Å; F133-L164 HydrophobicContact CZ-CD2 4.36Å; F133-M168 HydrophobicContact CD2-CE 4.46Å; F133-M168 HydrophobicContact CE1-SD 4.46Å; F133-M168 HydrophobicContact CE2-CE 3.6Å; F133-M168 HydrophobicContact CE2-SD 3.96Å; F133-M168 HydrophobicContact CZ-CE 3.81Å; F133-M168 HydrophobicContact CZ-SD 3.54Å; F133-M168 VanDerWaalsContact CZ-SD 3.54Å; F133-L180 HydrophobicContact CD2-CD2 3.42Å; F133-L180 VanDerWaalsContact CD2-CD2 3.42Å; F133-L180 HydrophobicContact CE2-CD2 3.93Å; F133-L180 HydrophobicContact CG-CD2 4.41Å; F133-L183 HydrophobicContact CB-CD1 4.04Å; F133-V184 HydrophobicContact CD1-CG2 3.96Å; F133-V184 HydrophobicContact CE1-CG2 3.67Å; F133-V184 HydrophobicContact CE2-CG2 4.44Å; F133-V184 HydrophobicContact CG-CG2 4.49Å; F133-V184 HydrophobicContact CZ-CG2 3.91Å
134T98.6Very high97Very high1 Ų124.4 Ų24.41%0.00612%0.122CC..Hα-helixtrans-58.9-32.7173.5-640000111.7I130 I132 A280 V281 Y284 W295I130-T134 WeakPolarHBondContact O-CB 3.44Å; I130-T134 PolarHBondContact O-N 2.89Å; I130-T134 PolarHBondContact O-OG1 3.11Å; I132-T134 VanDerWaalsContact C-N 3.31Å; I132-T134 PolarHBondContact O-N 3.42Å; T134-A280 HydrophobicContact CG2-CB 4.3Å; T134-V281 HydrophobicContact CG2-CG2 4.34Å; T134-Y284 HydrophobicContact CG2-CD2 4.03Å; T134-Y284 HydrophobicContact CG2-CG 3.83Å; T134-W295 HydrophobicContact CG2-CH2 4.09Å
135T98.6Very high97.3Very high6 Ų623.9 Ų23.94%0.03712%0.122CC..THydrogen-bonded Turntrans-97.25.9-170.470.60000115.2R11 E131 I132 F133 Y284 W295 R317R11-T135 PolarHBondContact NH2-O 3.33Å; E131-T135 WeakPolarHBondContact O-CG2 3.42Å; E131-T135 PolarHBondContact O-OG1 2.69Å; I132-T135 PolarHBondContact O-N 3.37Å; I132-T135 PolarHBondContact O-OG1 2.97Å; F133-T135 PolarHBondContact O-N 2.86Å; T135-Y284 HydrophobicContact CG2-CD2 4.35Å; T135-Y284 HydrophobicContact CG2-CE2 3.88Å; T135-W295 HydrophobicContact CG2-CZ3 4.29Å; T135-R317 VanDerWaalsContact CB-NH2 3.31Å
136L98.7Very high97.6Very high4 Ų426.3 Ų26.32%0.02113%0.134CC..  trans-108.2134.7178.9-64.4171.1000110.2F7 L111 I132 F133 E140 M141 V144 R188F7-L136 HydrophobicContact CE2-CD2 4.45Å; F7-L136 HydrophobicContact CZ-CD2 3.73Å; L111-L136 HydrophobicContact CD1-CD2 3.85Å; I132-L136 HydrophobicContact CG2-CD1 3.82Å; I132-L136 WeakPolarHBondContact O-CG 3.24Å; F133-L136 HydrophobicContact CD1-CD1 4.47Å; F133-L136 PolarHBondContact O-N 3.35Å; L136-E140 HydrophobicContact CB-CB 4.43Å; L136-E140 HydrophobicContact CD2-CB 3.78Å; L136-M141 HydrophobicContact CB-CB 4.27Å; L136-M141 HydrophobicContact CB-SD 4.43Å; L136-M141 HydrophobicContact CD1-CE 4.17Å; L136-M141 HydrophobicContact CD1-SD 3.77Å; L136-V144 HydrophobicContact CD1-CB 4.17Å; L136-V144 HydrophobicContact CD1-CG1 4.24Å; L136-V144 HydrophobicContact CD1-CG2 3.86Å; L136-V144 HydrophobicContact CD2-CG2 3.96Å; L136-R188 PolarHBondContact O-NH1 3.09Å
137W98.3Very high97.8Very high5 Ų525.3 Ų25.32%0.01913%0.131CC..  trans-94.7179.2162.6-145.7-108.6000111.6I14 D139 E140 M141 R188 D189 T243 P244I14-W137 HydrophobicContact CD1-CD2 3.56Å; I14-W137 HydrophobicContact CD1-CE3 4.06Å; I14-W137 HydrophobicContact CD1-CG 4.05Å; I14-W137 HydrophobicContact CD1-CH2 4.04Å; I14-W137 HydrophobicContact CD1-CZ2 3.54Å; I14-W137 HydrophobicContact CD1-CZ3 4.25Å; I14-W137 HydrophobicContact CG2-CB 3.9Å; I14-W137 HydrophobicContact CG2-CD2 3.95Å; I14-W137 HydrophobicContact CG2-CE3 4.21Å; I14-W137 HydrophobicContact CG2-CG 3.77Å; W137-D139 PolarHBondContact O-N 3.14Å; W137-E140 PolarHBondContact N-OE2 3.04Å; W137-E140 PolarHBondContact O-N 3.08Å; W137-E140 VanDerWaalsContact O-N 3.16Å; W137-M141 WeakPolarHBondContact O-CB 3.3Å; W137-M141 PolarHBondContact O-N 3.33Å; W137-R188 HydrophobicContact CH2-CB 4.05Å; W137-R188 HydrophobicContact CZ2-CB 3.55Å; W137-R188 HydrophobicContact CZ2-CG 4.49Å; W137-D189 WeakPolarHBondContact CZ2-O 3.48Å; W137-D189 PolarHBondContact NE1-O 3.48Å; W137-T243 HydrophobicContact CZ2-CG2 4.35Å; W137-P244 HydrophobicContact CZ3-CG 4.38Å
138N98.5Very high98.1Very high7 Ų721 Ų214%0.03712%0.115CC..Hα-helixtrans-49.4-57.9-170.9-63.3-27.3000114.1E140 M141 K142 A186 E187 R188 D190N138-E140 VanDerWaalsContact C-N 3.32Å; N138-E140 PolarHBondContact O-N 3.27Å; N138-M141 PolarHBondContact O-N 3.25Å; N138-K142 WeakPolarHBondContact O-CG 3.34Å; N138-K142 PolarHBondContact O-N 2.98Å; N138-A186 HydrophobicContact CB-CB 4.26Å; N138-A186 WeakPolarHBondContact CB-O 3.33Å; N138-A186 VanDerWaalsContact CG-O 3.25Å; N138-A186 WeakPolarHBondContact O-CB 3.1Å; N138-A186 PolarHBondContact OD1-O 3.33Å; N138-E187 PolarHBondContact OD1-N 2.97Å; N138-R188 PolarHBondContact ND2-O 3.1Å; N138-R188 WeakPolarHBondContact OD1-CB 3.36Å; N138-R188 WeakPolarHBondContact OD1-CG 3.46Å; N138-R188 PolarHBondContact OD1-N 3.09Å; N138-D190 PolarHBondContact ND2-OD2 2.86Å
139D97.6Very high98.2Very high112 Ų11225.1 Ų25.160%0.59913%0.132SC*.Hα-helixtrans-67.9-33.3-176.9-68.4-23000112.7W137 K142 A143W137-D139 PolarHBondContact O-N 3.14Å; D139-K142 PolarHBondContact O-N 3.48Å; D139-K142 IonicContact OD1-NZ 2.69Å; D139-A143 PolarHBondContact O-N 3.12Å
140E98.6Very high98.2Very high7 Ų729.1 Ų29.13%0.03315%0.15CC..Hα-helixtrans-69-39.3175.7-59175146.200111F7 R11 S12 H15 L136 W137 N138 A143 V144F7-E140 HydrophobicContact CD1-CB 4.23Å; F7-E140 HydrophobicContact CD1-CG 4.28Å; F7-E140 HydrophobicContact CE1-CB 3.65Å; F7-E140 HydrophobicContact CE1-CG 4.15Å; F7-E140 WeakPolarHBondContact CE1-O 3.41Å; F7-E140 HydrophobicContact CE2-CB 4.41Å; F7-E140 HydrophobicContact CE2-CG 4.47Å; F7-E140 HydrophobicContact CZ-CB 3.74Å; F7-E140 HydrophobicContact CZ-CG 4.24Å; R11-E140 IonicContact CZ-OE1 3.1Å; R11-E140 IonicContact CZ-OE2 2.64Å; R11-E140 IonicContact NE-OE1 3.72Å; R11-E140 PolarHBondContact NE-OE1 3.1Å; R11-E140 IonicContact NE-OE2 2.81Å; R11-E140 IonicContact NH2-OE1 2.68Å; R11-E140 PolarHBondContact NH2-OE1 2.59Å; R11-E140 VanDerWaalsContact NH2-OE1 3.14Å; R11-E140 IonicContact NH2-OE2 3.18Å; R11-E140 PolarHBondContact NH2-OE2 3.33Å; S12-E140 PolarHBondContact N-OE1 2.7Å; H15-E140 IonicContact CD2-OE1 3.5Å; H15-E140 IonicContact CD2-OE2 2.73Å; H15-E140 IonicContact CE1-OE2 2.69Å; H15-E140 IonicContact NE2-OE1 3.53Å; H15-E140 IonicContact NE2-OE2 3.55Å; H15-E140 PolarHBondContact NE2-OE2 2.66Å; L136-E140 HydrophobicContact CB-CB 4.43Å; L136-E140 HydrophobicContact CD2-CB 3.78Å; W137-E140 PolarHBondContact N-OE2 3.04Å; W137-E140 PolarHBondContact O-N 3.08Å; W137-E140 VanDerWaalsContact O-N 3.16Å; N138-E140 VanDerWaalsContact C-N 3.32Å; N138-E140 PolarHBondContact O-N 3.27Å; E140-A143 PolarHBondContact O-N 2.93Å; E140-V144 WeakPolarHBondContact O-CG2 3.35Å; E140-V144 PolarHBondContact O-N 3.39Å
141M98.6Very high98.2Very high3 Ų328.6 Ų28.62%0.01515%0.148CC..Hα-helixtrans-64.9-41.9176-173.566.1-101.200111.1F133 L136 W137 N138 V144 A145 L164 V184 A186F133-M141 HydrophobicContact CD1-CE 4.16Å; F133-M141 HydrophobicContact CD1-SD 3.68Å; F133-M141 HydrophobicContact CE1-CE 3.89Å; F133-M141 HydrophobicContact CE1-SD 4.02Å; L136-M141 HydrophobicContact CB-CB 4.27Å; L136-M141 HydrophobicContact CB-SD 4.43Å; L136-M141 HydrophobicContact CD1-CE 4.17Å; L136-M141 HydrophobicContact CD1-SD 3.77Å; W137-M141 WeakPolarHBondContact O-CB 3.3Å; W137-M141 PolarHBondContact O-N 3.33Å; N138-M141 PolarHBondContact O-N 3.25Å; M141-V144 HydrophobicContact CE-CB 4.05Å; M141-V144 HydrophobicContact CE-CG1 3.91Å; M141-V144 PolarHBondContact O-N 2.88Å; M141-A145 WeakPolarHBondContact O-CB 3.35Å; M141-A145 PolarHBondContact O-N 2.95Å; M141-L164 HydrophobicContact CE-CD2 3.39Å; M141-V184 HydrophobicContact CE-CG1 4.44Å; M141-V184 HydrophobicContact CE-CG2 4.26Å; M141-V184 HydrophobicContact SD-CG2 4Å; M141-A186 HydrophobicContact CB-CB 4.01Å; M141-A186 HydrophobicContact CG-CB 4.15Å
142K98.2Very high98.2Very high102 Ų10228.5 Ų28.544%0.44315%0.147SC..Hα-helixtrans-60.2-47.5173.3-68.5168.1-169.2164.10111.4N138 D139 V144 A145 D146 A186N138-K142 WeakPolarHBondContact O-CG 3.34Å; N138-K142 PolarHBondContact O-N 2.98Å; D139-K142 PolarHBondContact O-N 3.48Å; D139-K142 IonicContact OD1-NZ 2.69Å; K142-V144 VanDerWaalsContact C-N 3.33Å; K142-V144 PolarHBondContact O-N 3.24Å; K142-A145 WeakPolarHBondContact O-CB 3.46Å; K142-A145 PolarHBondContact O-N 3.28Å; K142-A145 VanDerWaalsContact O-N 3.14Å; K142-D146 PolarHBondContact O-N 2.82Å; K142-A186 HydrophobicContact CD-CB 4.42Å; K142-A186 HydrophobicContact CG-CB 3.82Å
143A98.4Very high98.1Very high17 Ų1735 Ų3514%0.1418%0.176CC..Hα-helixtrans-61.8-38.2177.300000112.8G6 F7 P108 D139 E140 A147G6-A143 WeakPolarHBondContact O-CB 3.44Å; F7-A143 HydrophobicContact CD1-CB 3.86Å; F7-A143 HydrophobicContact CE1-CB 3.88Å; P108-A143 HydrophobicContact CB-CB 4.14Å; D139-A143 PolarHBondContact O-N 3.12Å; E140-A143 PolarHBondContact O-N 2.93Å; A143-A147 VanDerWaalsContact O-CB 3.3Å; A143-A147 WeakPolarHBondContact O-CB 3.5Å; A143-A147 PolarHBondContact O-N 3.25Å
144V98.7Very high98Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-67.1-40.2173.4168.50000111.5F7 P108 L111 A112 L115 L136 E140 M141 K142 A147 Y148F7-V144 HydrophobicContact CE1-CG2 4.07Å; F7-V144 HydrophobicContact CZ-CG2 3.94Å; P108-V144 HydrophobicContact CB-CG2 4.05Å; L111-V144 HydrophobicContact CB-CG2 4.12Å; L111-V144 HydrophobicContact CD1-CG2 4.24Å; A112-V144 HydrophobicContact CB-CG1 4.22Å; L115-V144 HydrophobicContact CD1-CG1 3.64Å; L136-V144 HydrophobicContact CD1-CB 4.17Å; L136-V144 HydrophobicContact CD1-CG1 4.24Å; L136-V144 HydrophobicContact CD1-CG2 3.86Å; L136-V144 HydrophobicContact CD2-CG2 3.96Å; E140-V144 WeakPolarHBondContact O-CG2 3.35Å; E140-V144 PolarHBondContact O-N 3.39Å; M141-V144 HydrophobicContact CE-CB 4.05Å; M141-V144 HydrophobicContact CE-CG1 3.91Å; M141-V144 PolarHBondContact O-N 2.88Å; K142-V144 VanDerWaalsContact C-N 3.33Å; K142-V144 PolarHBondContact O-N 3.24Å; V144-A147 PolarHBondContact O-N 3.23Å; V144-Y148 WeakPolarHBondContact O-CB 3.23Å; V144-Y148 PolarHBondContact O-N 2.85Å
145A98.2Very high97.9Very high25 Ų2542 Ų4221%0.20721%0.209CC..Hα-helixtrans-63.8-40.9177.400000112M141 K142 Y148 K149 L164M141-A145 WeakPolarHBondContact O-CB 3.35Å; M141-A145 PolarHBondContact O-N 2.95Å; K142-A145 WeakPolarHBondContact O-CB 3.46Å; K142-A145 PolarHBondContact O-N 3.28Å; K142-A145 VanDerWaalsContact O-N 3.14Å; A145-Y148 WeakPolarHBondContact O-CB 3.48Å; A145-Y148 PolarHBondContact O-N 3.4Å; A145-K149 PolarHBondContact O-N 3.35Å; A145-L164 HydrophobicContact CB-CD2 4.41Å
146D97.4Very high97.7Very high105 Ų10544.6 Ų44.656%0.56124%0.238SC*.Hα-helixtrans-66.7-43.9174-74.3-23000111.7K142 Y148 K149 Q150K142-D146 PolarHBondContact O-N 2.82Å; D146-Y148 PolarHBondContact O-N 3.36Å; D146-K149 WeakPolarHBondContact O-CB 3.45Å; D146-K149 PolarHBondContact O-N 3.44Å; D146-Q150 PolarHBondContact O-N 3.38Å
147A98.1Very high97.5Very high14 Ų1445.8 Ų45.812%0.11625%0.246CC..Hα-helixtrans-63.1-31.1175.200000112.3P108 A112 A143 V144 Q150 V151P108-A147 HydrophobicContact CB-CB 4.14Å; A112-A147 HydrophobicContact CB-CB 3.92Å; A143-A147 VanDerWaalsContact O-CB 3.3Å; A143-A147 WeakPolarHBondContact O-CB 3.5Å; A143-A147 PolarHBondContact O-N 3.25Å; V144-A147 PolarHBondContact O-N 3.23Å; A147-Q150 CarbonylContact O-C 3.59Å; A147-Q150 WeakPolarHBondContact O-CA 3.5Å; A147-Q150 WeakPolarHBondContact O-CB 3.47Å; A147-Q150 PolarHBondContact O-N 3.01Å; A147-Q150 VanDerWaalsContact O-N 3.14Å; A147-V151 WeakPolarHBondContact O-CG2 3.45Å; A147-V151 PolarHBondContact O-N 3.14Å
148Y98.3Very high97.3Very high1 Ų154.8 Ų54.80%0.00429%0.288CS..Hα-helixtrans-63.5-42174.2-166.6-84.5000112A112 L115 M119 V144 A145 D146 Q150 V151 L152 L164 D167A112-Y148 HydrophobicContact CB-CD2 4.37Å; A112-Y148 WeakPolarHBondContact O-CD2 3.46Å; L115-Y148 HydrophobicContact CB-CD2 4.22Å; L115-Y148 HydrophobicContact CB-CE2 4.07Å; M119-Y148 HydrophobicContact CE-CE2 3.53Å; M119-Y148 VanDerWaalsContact CE-OH 3.22Å; M119-Y148 WeakPolarHBondContact CE-OH 3.16Å; V144-Y148 WeakPolarHBondContact O-CB 3.23Å; V144-Y148 PolarHBondContact O-N 2.85Å; A145-Y148 WeakPolarHBondContact O-CB 3.48Å; A145-Y148 PolarHBondContact O-N 3.4Å; D146-Y148 PolarHBondContact O-N 3.36Å; Y148-Q150 PolarHBondContact O-N 2.86Å; Y148-V151 WeakPolarHBondContact O-CB 3.24Å; Y148-V151 PolarHBondContact O-N 2.97Å; Y148-V151 VanDerWaalsContact O-N 3.13Å; Y148-L152 HydrophobicContact CD1-CD1 3.82Å; Y148-L152 HydrophobicContact CD1-CG 3.96Å; Y148-L152 HydrophobicContact CE1-CD1 3.76Å; Y148-L152 HydrophobicContact CE1-CD2 3.98Å; Y148-L152 HydrophobicContact CE1-CG 3.81Å; Y148-L152 WeakPolarHBondContact O-CG 3.27Å; Y148-L152 PolarHBondContact O-N 2.64Å; Y148-L164 HydrophobicContact CD1-CB 3.92Å; Y148-L164 VanDerWaalsContact CD1-N 3.33Å; Y148-L164 HydrophobicContact CD2-CB 4.3Å; Y148-L164 HydrophobicContact CD2-CD1 3.83Å; Y148-L164 HydrophobicContact CE1-CB 4.42Å; Y148-L164 HydrophobicContact CE2-CD1 3.84Å; Y148-L164 HydrophobicContact CG-CB 3.85Å; Y148-L164 HydrophobicContact CG-CD1 4.26Å; Y148-D167 HydrophobicContact CE1-CB 4.49Å; Y148-D167 PolarHBondContact OH-OD2 3.1Å
149K97.7Very high97Very high99 Ų9959.7 Ų59.743%0.4331%0.311SS..Hα-helixtrans-59.7-37.8172.3-66179.4178177.20111.3A145 D146 L152 K153A145-K149 PolarHBondContact O-N 3.35Å; D146-K149 WeakPolarHBondContact O-CB 3.45Å; D146-K149 PolarHBondContact O-N 3.44Å; K149-L152 PolarHBondContact O-N 3.1Å; K149-K153 WeakPolarHBondContact O-CG 3.26Å; K149-K153 PolarHBondContact O-N 2.68Å
150Q96.7Very high96.6Very high84 Ų8459.4 Ų59.439%0.39332%0.318SS..Hα-helixtrans-67.5-41174-170.457.942.400112.2Y109 D146 A147 Y148 L152 K153 D154Y109-Q150 HydrophobicContact CD2-CG 4.48Å; Y109-Q150 HydrophobicContact CE2-CG 4.16Å; D146-Q150 PolarHBondContact O-N 3.38Å; A147-Q150 CarbonylContact O-C 3.59Å; A147-Q150 WeakPolarHBondContact O-CA 3.5Å; A147-Q150 WeakPolarHBondContact O-CB 3.47Å; A147-Q150 PolarHBondContact O-N 3.01Å; A147-Q150 VanDerWaalsContact O-N 3.14Å; Y148-Q150 PolarHBondContact O-N 2.86Å; Q150-L152 VanDerWaalsContact C-N 3.29Å; Q150-L152 PolarHBondContact O-N 2.87Å; Q150-K153 WeakPolarHBondContact O-CB 3.41Å; Q150-K153 PolarHBondContact O-N 2.81Å; Q150-D154 PolarHBondContact NE2-OD1 2.91Å; Q150-D154 VanDerWaalsContact O-CG 3.24Å; Q150-D154 PolarHBondContact O-N 2.96Å
151V97.8Very high96.3Very high0 Ų066.5 Ų66.50%035%0.351CS..Hα-helixtrans-58.9-41.7174.3170.90000111.2Y109 A112 K113 Y116 A147 Y148 D154 K155Y109-V151 HydrophobicContact CD1-CG2 4.3Å; Y109-V151 HydrophobicContact CD2-CG2 3.98Å; Y109-V151 HydrophobicContact CE1-CG2 4.09Å; Y109-V151 HydrophobicContact CE2-CG2 3.71Å; Y109-V151 HydrophobicContact CG-CG2 4.29Å; A112-V151 HydrophobicContact CB-CG2 4.15Å; K113-V151 HydrophobicContact CB-CG2 4.09Å; Y116-V151 HydrophobicContact CD1-CG1 4.21Å; Y116-V151 HydrophobicContact CD2-CG1 4.11Å; Y116-V151 HydrophobicContact CG-CG1 3.77Å; A147-V151 WeakPolarHBondContact O-CG2 3.45Å; A147-V151 PolarHBondContact O-N 3.14Å; Y148-V151 WeakPolarHBondContact O-CB 3.24Å; Y148-V151 PolarHBondContact O-N 2.97Å; Y148-V151 VanDerWaalsContact O-N 3.13Å; V151-D154 PolarHBondContact O-N 2.99Å; V151-K155 HydrophobicContact CG1-CG 4.31Å; V151-K155 WeakPolarHBondContact O-CB 3.27Å; V151-K155 WeakPolarHBondContact O-CG 3.2Å; V151-K155 PolarHBondContact O-N 2.75Å
152L97.6Very high96.2Very high4 Ų469.3 Ų69.32%0.02136%0.362CS..Hα-helixtrans-59.5-47175.6-70.7173.4000111.7Y116 Y148 K149 Q150 K155 G156 S157 R162Y116-L152 HydrophobicContact CD2-CD2 3.96Å; Y116-L152 HydrophobicContact CE2-CD2 3.76Å; Y148-L152 HydrophobicContact CD1-CD1 3.82Å; Y148-L152 HydrophobicContact CD1-CG 3.96Å; Y148-L152 HydrophobicContact CE1-CD1 3.76Å; Y148-L152 HydrophobicContact CE1-CD2 3.98Å; Y148-L152 HydrophobicContact CE1-CG 3.81Å; Y148-L152 WeakPolarHBondContact O-CG 3.27Å; Y148-L152 PolarHBondContact O-N 2.64Å; K149-L152 PolarHBondContact O-N 3.1Å; Q150-L152 VanDerWaalsContact C-N 3.29Å; Q150-L152 PolarHBondContact O-N 2.87Å; L152-K155 CarbonylContact O-C 3.54Å; L152-K155 PolarHBondContact O-N 2.83Å; L152-K155 VanDerWaalsContact O-N 3.1Å; L152-G156 PolarHBondContact O-N 3.26Å; L152-S157 VanDerWaalsContact O-CB 3.23Å; L152-S157 WeakPolarHBondContact O-CB 3.37Å; L152-S157 PolarHBondContact O-N 3.4Å; L152-R162 HydrophobicContact CD1-CB 4Å; L152-R162 HydrophobicContact CD1-CG 3.69Å; L152-R162 VanDerWaalsContact CD1-O 3.29Å; L152-R162 WeakPolarHBondContact CD1-O 3.47Å; L152-R162 HydrophobicContact CD2-CG 4.41Å
153K96.8Very high96.1Very high138 Ų13865.4 Ų65.460%0.635%0.347SS*.Hα-helixtrans-59.2-47.3175.1-67.8174-176.2178.60111.5K149 Q150 K155 G156K149-K153 WeakPolarHBondContact O-CG 3.26Å; K149-K153 PolarHBondContact O-N 2.68Å; Q150-K153 WeakPolarHBondContact O-CB 3.41Å; Q150-K153 PolarHBondContact O-N 2.81Å; K153-K155 PolarHBondContact O-N 2.88Å; K153-K155 VanDerWaalsContact O-N 3.09Å; K153-G156 PolarHBondContact O-N 2.71Å
154D96.3Very high96Very high76 Ų7664.7 Ų64.741%0.40634%0.341SS..THydrogen-bonded Turntrans-66.1-11177.7-65.8-2.4000113.7Y109 Q150 V151Y109-D154 VanDerWaalsContact CE2-OD2 3.22Å; Y109-D154 WeakPolarHBondContact CE2-OD2 3.23Å; Y109-D154 VanDerWaalsContact CZ-OD2 3.27Å; Y109-D154 PolarHBondContact OH-OD2 2.97Å; Q150-D154 PolarHBondContact NE2-OD1 2.91Å; Q150-D154 VanDerWaalsContact O-CG 3.24Å; Q150-D154 PolarHBondContact O-N 2.96Å; V151-D154 PolarHBondContact O-N 2.99Å
155K96.2Very high95.9Very high72 Ų7266.4 Ų66.431%0.31335%0.352SS..THydrogen-bonded Turntrans-105.26.5175.4-66.7-75.3157.5-67.60112.5Y116 Y117 V151 L152 K153Y116-K155 HydrophobicContact CD1-CG 4.46Å; Y116-K155 HydrophobicContact CE1-CB 4.45Å; Y116-K155 HydrophobicContact CE1-CD 3.83Å; Y116-K155 HydrophobicContact CE1-CG 3.73Å; Y116-K155 HydrophobicContact CE2-CB 4.45Å; Y116-K155 HydrophobicContact CE2-CG 4.32Å; Y116-K155 WeakPolarHBondContact OH-CB 3.37Å; Y117-K155 WeakPolarHBondContact OH-CE 3.44Å; V151-K155 HydrophobicContact CG1-CG 4.31Å; V151-K155 WeakPolarHBondContact O-CB 3.27Å; V151-K155 WeakPolarHBondContact O-CG 3.2Å; V151-K155 PolarHBondContact O-N 2.75Å; L152-K155 CarbonylContact O-C 3.54Å; L152-K155 PolarHBondContact O-N 2.83Å; L152-K155 VanDerWaalsContact O-N 3.1Å; K153-K155 PolarHBondContact O-N 2.88Å; K153-K155 VanDerWaalsContact O-N 3.09Å
156G95.9Very high95.7Very high61 Ų6167.5 Ų67.563%0.62936%0.356SS*.THydrogen-bonded Turntrans81.221.6176.500000114.5L152 K153 E158L152-G156 PolarHBondContact O-N 3.26Å; K153-G156 PolarHBondContact O-N 2.71Å; G156-E158 PolarHBondContact O-N 3.21Å
157S94Very high95.6Very high29 Ų2962.9 Ų62.920%0.20333%0.331CS..  trans-70.1120.3172.7-174.80000110.3L152L152-S157 VanDerWaalsContact O-CB 3.23Å; L152-S157 WeakPolarHBondContact O-CB 3.37Å; L152-S157 PolarHBondContact O-N 3.4Å
158E93.5Very high95.4Very high194 Ų19462.2 Ų62.291%0.90733%0.325SS*.  trans-86.5-12.6173.9-62.3-175.517300112.7G156 S160G156-E158 PolarHBondContact O-N 3.21Å; E158-S160 PolarHBondContact O-N 2.85Å
159E93Very high95Very high110 Ų11067.9 Ų67.951%0.51435%0.35SS..  trans-69.7107.9178.9-63.5174.5-110.500111.4E161 R162E159-E161 VanDerWaalsContact C-N 3.35Å; E159-E161 PolarHBondContact O-N 3.13Å; E159-R162 HydrophobicContact CB-CB 3.67Å; E159-R162 PolarHBondContact O-N 2.79Å; E159-R162 IonicContact OE1-NH1 2.79Å
160S88.6Confident94.5Very high106 Ų10669.8 Ų69.874%0.74136%0.358SS*.THydrogen-bonded Turntrans-66.1-32.6-176.861.50000114.3E158E158-S160 PolarHBondContact O-N 2.85Å
161E92.6Very high94.1Very high157 Ų15769.1 Ų69.173%0.73436%0.355SS*.THydrogen-bonded Turntrans-93.5-4.3-177.3-63.9-53.4131.500113.5E159 S163E159-E161 VanDerWaalsContact C-N 3.35Å; E159-E161 PolarHBondContact O-N 3.13Å; E161-S163 PolarHBondContact O-N 2.55Å
162R95.9Very high93.5Very high61 Ų6169.7 Ų69.723%0.2336%0.359CS..  trans-67.2132.5178.3-169.4-178.7171.1179.3-3.2110L152 E159 D167L152-R162 HydrophobicContact CD1-CB 4Å; L152-R162 HydrophobicContact CD1-CG 3.69Å; L152-R162 VanDerWaalsContact CD1-O 3.29Å; L152-R162 WeakPolarHBondContact CD1-O 3.47Å; L152-R162 HydrophobicContact CD2-CG 4.41Å; E159-R162 HydrophobicContact CB-CB 3.67Å; E159-R162 PolarHBondContact O-N 2.79Å; E159-R162 IonicContact OE1-NH1 2.79Å; R162-D167 IonicContact CZ-OD1 3.81Å; R162-D167 IonicContact CZ-OD2 3.23Å; R162-D167 IonicContact NE-OD1 3.86Å; R162-D167 PolarHBondContact NE-OD1 3.33Å; R162-D167 IonicContact NE-OD2 3.45Å; R162-D167 PolarHBondContact NE-OD2 3.36Å; R162-D167 IonicContact NH2-OD1 3.74Å; R162-D167 PolarHBondContact NH2-OD1 2.95Å; R162-D167 IonicContact NH2-OD2 2.85Å; R162-D167 PolarHBondContact NH2-OD2 3.07Å
163S96.8Very high93.1Very high20 Ų2074.4 Ų74.414%0.1439%0.391CS..  trans-146175.5-173.2670000111.7E161 V165 T166 D167E161-S163 PolarHBondContact O-N 2.55Å; S163-V165 VanDerWaalsContact C-N 3.31Å; S163-V165 PolarHBondContact O-N 2.71Å; S163-T166 PolarHBondContact N-OG1 3.15Å; S163-T166 PolarHBondContact O-N 3.06Å; S163-T166 PolarHBondContact O-OG1 3.01Å; S163-T166 WeakPolarHBondContact OG-CG2 3.27Å; S163-T166 PolarHBondContact OG-N 3.28Å; S163-T166 PolarHBondContact OG-OG1 2.73Å; S163-D167 PolarHBondContact O-N 2.77Å; S163-D167 VanDerWaalsContact O-N 3.15Å
164L96.9Very high92.8Very high3 Ų370.1 Ų70.12%0.01639%0.386CS..Hα-helixtrans-54.9-47.6172.7175.758.9000111.5L115 M119 F133 M141 A145 Y148 T166 D167 M168 V184L115-L164 HydrophobicContact CB-CD1 4.45Å; L115-L164 HydrophobicContact CD1-CD1 4.12Å; L115-L164 HydrophobicContact CD1-CD2 4.25Å; M119-L164 HydrophobicContact CE-CD1 3.49Å; M119-L164 VanDerWaalsContact CE-CD1 3.49Å; F133-L164 HydrophobicContact CE1-CD2 4.03Å; F133-L164 HydrophobicContact CZ-CD1 4.2Å; F133-L164 HydrophobicContact CZ-CD2 4.36Å; M141-L164 HydrophobicContact CE-CD2 3.39Å; A145-L164 HydrophobicContact CB-CD2 4.41Å; Y148-L164 HydrophobicContact CD1-CB 3.92Å; Y148-L164 VanDerWaalsContact CD1-N 3.33Å; Y148-L164 HydrophobicContact CD2-CB 4.3Å; Y148-L164 HydrophobicContact CD2-CD1 3.83Å; Y148-L164 HydrophobicContact CE1-CB 4.42Å; Y148-L164 HydrophobicContact CE2-CD1 3.84Å; Y148-L164 HydrophobicContact CG-CB 3.85Å; Y148-L164 HydrophobicContact CG-CD1 4.26Å; L164-T166 PolarHBondContact O-N 2.69Å; L164-D167 PolarHBondContact O-N 3.25Å; L164-M168 HydrophobicContact CD1-CG 4.11Å; L164-M168 HydrophobicContact CD1-SD 3.82Å; L164-M168 HydrophobicContact CD2-SD 4.49Å; L164-M168 HydrophobicContact CG-SD 3.81Å; L164-M168 VanDerWaalsContact O-CG 3.32Å; L164-M168 WeakPolarHBondContact O-CG 3.39Å; L164-M168 PolarHBondContact O-N 3.08Å; L164-V184 HydrophobicContact CD2-CG1 4.02Å; L164-V184 HydrophobicContact CD2-CG2 4.41Å; L164-V184 HydrophobicContact CG-CG1 4.36Å
165V95.7Very high92.7Very high36 Ų3669.3 Ų69.322%0.21838%0.382CS..Hα-helixtrans-63-40.9-179.1173.50000111.7S163 D167 M168 K169 L181 V184S163-V165 VanDerWaalsContact C-N 3.31Å; S163-V165 PolarHBondContact O-N 2.71Å; V165-D167 VanDerWaalsContact C-N 3.31Å; V165-D167 PolarHBondContact O-N 2.97Å; V165-M168 PolarHBondContact O-N 3.38Å; V165-K169 HydrophobicContact CG1-CD 4.23Å; V165-K169 WeakPolarHBondContact O-CG 3.44Å; V165-K169 PolarHBondContact O-N 2.84Å; V165-K169 VanDerWaalsContact O-N 3.12Å; V165-L181 HydrophobicContact CG1-CD2 3.95Å; V165-V184 HydrophobicContact CG2-CG1 3.58Å
166T94.5Very high92.6Very high48 Ų4866.8 Ų66.829%0.29437%0.37SS..Hα-helixtrans-68.8-32.1-179.657.50000112.5S163 L164 K170S163-T166 PolarHBondContact N-OG1 3.15Å; S163-T166 PolarHBondContact O-N 3.06Å; S163-T166 PolarHBondContact O-OG1 3.01Å; S163-T166 WeakPolarHBondContact OG-CG2 3.27Å; S163-T166 PolarHBondContact OG-N 3.28Å; S163-T166 PolarHBondContact OG-OG1 2.73Å; L164-T166 PolarHBondContact O-N 2.69Å; T166-K170 WeakPolarHBondContact O-CG 3.47Å
167D95.2Very high92.5Very high7 Ų766 Ų664%0.03735%0.35CS..Hα-helixtrans-73.9-45.2175.6-75.84.6000110.1M119 Y148 R162 S163 L164 V165 K169 K170 E171M119-D167 HydrophobicContact CE-CB 4.21Å; M119-D167 HydrophobicContact SD-CB 4.06Å; Y148-D167 HydrophobicContact CE1-CB 4.49Å; Y148-D167 PolarHBondContact OH-OD2 3.1Å; R162-D167 IonicContact CZ-OD1 3.81Å; R162-D167 IonicContact CZ-OD2 3.23Å; R162-D167 IonicContact NE-OD1 3.86Å; R162-D167 PolarHBondContact NE-OD1 3.33Å; R162-D167 IonicContact NE-OD2 3.45Å; R162-D167 PolarHBondContact NE-OD2 3.36Å; R162-D167 IonicContact NH2-OD1 3.74Å; R162-D167 PolarHBondContact NH2-OD1 2.95Å; R162-D167 IonicContact NH2-OD2 2.85Å; R162-D167 PolarHBondContact NH2-OD2 3.07Å; S163-D167 PolarHBondContact O-N 2.77Å; S163-D167 VanDerWaalsContact O-N 3.15Å; L164-D167 PolarHBondContact O-N 3.25Å; V165-D167 VanDerWaalsContact C-N 3.31Å; V165-D167 PolarHBondContact O-N 2.97Å; D167-K169 PolarHBondContact O-N 2.94Å; D167-K170 WeakPolarHBondContact O-CB 3.15Å; D167-K170 PolarHBondContact O-N 3.5Å; D167-E171 WeakPolarHBondContact O-CG 3.05Å; D167-E171 PolarHBondContact O-N 3.32Å
168M93Very high92.5Very high0 Ų069.4 Ų69.40%036%0.359CS..Hα-helixtrans-59.4-40.7179.2-71.417366.600114.1M119 F133 L164 V165 K170 E171 T172 L180 V184M119-M168 HydrophobicContact CE-CG 4.25Å; M119-M168 HydrophobicContact SD-CB 4.32Å; M119-M168 HydrophobicContact SD-CG 3.48Å; M119-M168 WeakPolarHBondContact SD-CG 3.25Å; F133-M168 HydrophobicContact CD2-CE 4.46Å; F133-M168 HydrophobicContact CE1-SD 4.46Å; F133-M168 HydrophobicContact CE2-CE 3.6Å; F133-M168 HydrophobicContact CE2-SD 3.96Å; F133-M168 HydrophobicContact CZ-CE 3.81Å; F133-M168 HydrophobicContact CZ-SD 3.54Å; F133-M168 VanDerWaalsContact CZ-SD 3.54Å; L164-M168 HydrophobicContact CD1-CG 4.11Å; L164-M168 HydrophobicContact CD1-SD 3.82Å; L164-M168 HydrophobicContact CD2-SD 4.49Å; L164-M168 HydrophobicContact CG-SD 3.81Å; L164-M168 VanDerWaalsContact O-CG 3.32Å; L164-M168 WeakPolarHBondContact O-CG 3.39Å; L164-M168 PolarHBondContact O-N 3.08Å; V165-M168 PolarHBondContact O-N 3.38Å; M168-K170 PolarHBondContact O-N 3.2Å; M168-E171 PolarHBondContact O-N 3.1Å; M168-E171 VanDerWaalsContact O-N 3.14Å; M168-T172 PolarHBondContact O-N 2.68Å; M168-T172 PolarHBondContact O-OG1 3.38Å; M168-L180 HydrophobicContact CE-CB 3.62Å; M168-L180 HydrophobicContact CE-CD1 4.07Å; M168-L180 HydrophobicContact CE-CD2 4.47Å; M168-L180 HydrophobicContact CE-CG 4.31Å; M168-V184 HydrophobicContact CE-CG2 3.73Å; M168-V184 HydrophobicContact SD-CB 4.47Å; M168-V184 HydrophobicContact SD-CG1 4.45Å; M168-V184 HydrophobicContact SD-CG2 3.68Å
169K90.6Very high92.7Very high120 Ų12060.1 Ų60.152%0.52232%0.316SS..Hα-helixtrans-63.5-19.1176.6-74.6-178.8176.4-177.20113.8V165 D167 L181V165-K169 HydrophobicContact CG1-CD 4.23Å; V165-K169 WeakPolarHBondContact O-CG 3.44Å; V165-K169 PolarHBondContact O-N 2.84Å; V165-K169 VanDerWaalsContact O-N 3.12Å; D167-K169 PolarHBondContact O-N 2.94Å; K169-L181 HydrophobicContact CG-CD1 4.02Å; K169-L181 HydrophobicContact CG-CD2 4.23Å
170K88.1Confident92.8Very high140 Ų14054.9 Ų54.961%0.60929%0.292SS*.Hα-helixtrans-89.1-30.5175.5-66.5173.5-176.3175.70111.7T166 D167 M168T166-K170 WeakPolarHBondContact O-CG 3.47Å; D167-K170 WeakPolarHBondContact O-CB 3.15Å; D167-K170 PolarHBondContact O-N 3.5Å; M168-K170 PolarHBondContact O-N 3.2Å
171E87Confident93.2Very high70 Ų7051 Ų5133%0.32726%0.263SS..Hα-helixtrans-97.2-23.7-169.9-63.7-62.1136.300113.6M119 T124 D167 M168M119-E171 HydrophobicContact CB-CG 3.97Å; M119-E171 HydrophobicContact CG-CB 4.4Å; M119-E171 HydrophobicContact CG-CG 4.15Å; T124-E171 HydrophobicContact CG2-CB 4.13Å; T124-E171 PolarHBondContact OG1-O 2.92Å; T124-E171 PolarHBondContact OG1-OE2 3.47Å; D167-E171 WeakPolarHBondContact O-CG 3.05Å; D167-E171 PolarHBondContact O-N 3.32Å; M168-E171 PolarHBondContact O-N 3.1Å; M168-E171 VanDerWaalsContact O-N 3.14Å
172T85.9Confident93.3Very high12 Ų1244.5 Ų44.57%0.07423%0.234CC..  trans-124.7153.3-17661.30000111.1T124 L129 M168 Y176 E177 L180T124-T172 HydrophobicContact CG2-CG2 4.45Å; L129-T172 HydrophobicContact CD1-CG2 4.08Å; M168-T172 PolarHBondContact O-N 2.68Å; M168-T172 PolarHBondContact O-OG1 3.38Å; T172-Y176 HydrophobicContact CG2-CD1 4.26Å; T172-Y176 HydrophobicContact CG2-CE1 3.77Å; T172-E177 VanDerWaalsContact O-CD 3.31Å; T172-E177 WeakPolarHBondContact OG1-CG 3.32Å; T172-L180 HydrophobicContact CG2-CD1 3.82Å
173C88.2Confident93.4Very high102 Ų10241.8 Ų41.869%0.68922%0.224SC*.  trans-139.4161.1178.165.60000114E177C173-E177 VanDerWaalsContact C-CB 3.46Å; C173-E177 VanDerWaalsContact CA-OE2 3.31Å; C173-E177 WeakPolarHBondContact CA-OE2 3.41Å; C173-E177 PolarHBondContact O-N 2.92Å
174G91.9Very high93.5Very high49 Ų4941.4 Ų41.451%0.50522%0.221SC..Hα-helixtrans75.1-151.4168.500000114.3Y176 E177 Y178G174-Y176 PolarHBondContact O-N 2.93Å; G174-E177 PolarHBondContact O-N 2.69Å; G174-Y178 PolarHBondContact O-N 3.1Å
175D92.5Very high93.4Very high59 Ų5946.1 Ų46.132%0.31624%0.243SC..Hα-helixtrans-64.1-30.7-177-58.6-57.7000112.7Y178 A179 E232 Y274D175-Y178 PolarHBondContact O-N 3.19Å; D175-A179 WeakPolarHBondContact O-CB 3.45Å; D175-A179 PolarHBondContact O-N 2.95Å; D175-E232 HydrophobicContact CB-CB 4.08Å; D175-E232 HydrophobicContact CB-CG 4.25Å; D175-E232 WeakPolarHBondContact OD1-CB 3.4Å; D175-Y274 HydrophobicContact CB-CD1 4.13Å; D175-Y274 HydrophobicContact CB-CD2 3.96Å; D175-Y274 HydrophobicContact CB-CE1 4.3Å; D175-Y274 HydrophobicContact CB-CE2 4.14Å; D175-Y274 HydrophobicContact CB-CG 3.97Å; D175-Y274 WeakPolarHBondContact O-CD2 3.32Å
176Y94.9Very high93.5Very high18 Ų1844.6 Ų44.67%0.07123%0.234CC..Hα-helixtrans-64.8-49.8173.4175-116.8000112.1D126 I130 T172 G174 Y178 A179 L180 D273 L277D126-Y176 HydrophobicContact CB-CE1 4.27Å; D126-Y176 WeakPolarHBondContact CB-OH 3.38Å; D126-Y176 PolarHBondContact O-OH 3.01Å; D126-Y176 WeakPolarHBondContact OD1-CE1 3Å; D126-Y176 PolarHBondContact OD1-OH 3.49Å; I130-Y176 HydrophobicContact CD1-CE2 3.99Å; I130-Y176 HydrophobicContact CG1-CE2 3.89Å; T172-Y176 HydrophobicContact CG2-CD1 4.26Å; T172-Y176 HydrophobicContact CG2-CE1 3.77Å; G174-Y176 PolarHBondContact O-N 2.93Å; Y176-Y178 VanDerWaalsContact C-N 3.3Å; Y176-Y178 PolarHBondContact O-N 2.74Å; Y176-A179 PolarHBondContact O-N 3.38Å; Y176-L180 HydrophobicContact CD1-CD1 4Å; Y176-L180 HydrophobicContact CD2-CD1 4.37Å; Y176-L180 HydrophobicContact CD2-CG 4.18Å; Y176-L180 HydrophobicContact CE1-CD1 3.37Å; Y176-L180 HydrophobicContact CE1-CG 4.19Å; Y176-L180 HydrophobicContact CE2-CD1 3.81Å; Y176-L180 HydrophobicContact CE2-CD2 4.14Å; Y176-L180 HydrophobicContact CE2-CG 3.73Å; Y176-L180 HydrophobicContact CG-CD1 4.47Å; Y176-L180 WeakPolarHBondContact O-CB 3.19Å; Y176-L180 WeakPolarHBondContact O-CG 3.03Å; Y176-L180 PolarHBondContact O-N 3.02Å; Y176-L180 WeakPolarHBondContact OH-CD1 2.92Å; Y176-D273 HydrophobicContact CD1-CB 4.05Å; Y176-D273 VanDerWaalsContact CD2-C 3.45Å; Y176-D273 HydrophobicContact CD2-CB 3.76Å; Y176-D273 WeakPolarHBondContact CD2-O 3.38Å; Y176-D273 HydrophobicContact CE1-CB 4.09Å; Y176-D273 HydrophobicContact CE2-CB 3.79Å; Y176-D273 HydrophobicContact CG-CB 3.88Å; Y176-L277 HydrophobicContact CD2-CB 4.19Å; Y176-L277 HydrophobicContact CD2-CD2 4.1Å; Y176-L277 HydrophobicContact CE2-CB 4.06Å; Y176-L277 HydrophobicContact CE2-CD2 4.13Å
177E94.4Very high93.7Very high45 Ų4549.5 Ų49.521%0.2125%0.254CS..Hα-helixtrans-57.2-46173.6178.4-165.6175.200110.8T172 C173 G174 A179 L180 L181T172-E177 VanDerWaalsContact O-CD 3.31Å; T172-E177 WeakPolarHBondContact OG1-CG 3.32Å; C173-E177 VanDerWaalsContact C-CB 3.46Å; C173-E177 VanDerWaalsContact CA-OE2 3.31Å; C173-E177 WeakPolarHBondContact CA-OE2 3.41Å; C173-E177 PolarHBondContact O-N 2.92Å; G174-E177 PolarHBondContact O-N 2.69Å; E177-A179 VanDerWaalsContact C-N 3.35Å; E177-A179 PolarHBondContact O-N 3.27Å; E177-L180 PolarHBondContact O-N 3.48Å; E177-L181 HydrophobicContact CG-CD1 3.85Å; E177-L181 HydrophobicContact CG-CG 4.24Å; E177-L181 WeakPolarHBondContact O-CB 3.44Å; E177-L181 VanDerWaalsContact O-CG 3.3Å; E177-L181 WeakPolarHBondContact O-CG 3.39Å; E177-L181 PolarHBondContact O-N 3.07Å
178Y94.3Very high93.8Very high100 Ų10049.9 Ų49.939%0.39226%0.255SS..Hα-helixtrans-58.5-46.3179.9178.1-93.7000111.9G174 D175 Y176 L181 S182 R233 T236G174-Y178 PolarHBondContact O-N 3.1Å; D175-Y178 PolarHBondContact O-N 3.19Å; Y176-Y178 VanDerWaalsContact C-N 3.3Å; Y176-Y178 PolarHBondContact O-N 2.74Å; Y178-L181 PolarHBondContact O-N 3.42Å; Y178-S182 PolarHBondContact O-N 3.34Å; Y178-R233 HydrophobicContact CD1-CG 4.5Å; Y178-R233 HydrophobicContact CE1-CB 4.48Å; Y178-R233 HydrophobicContact CE1-CG 3.98Å; Y178-T236 HydrophobicContact CD1-CG2 3.9Å; Y178-T236 HydrophobicContact CE1-CG2 3.84Å
179A96.4Very high94.1Very high0 Ų052.4 Ų52.40%027%0.268CS..Hα-helixtrans-67.9-40.9178.300000113D175 Y176 E177 S182 L183 T236 Y274 L277D175-A179 WeakPolarHBondContact O-CB 3.45Å; D175-A179 PolarHBondContact O-N 2.95Å; Y176-A179 PolarHBondContact O-N 3.38Å; E177-A179 VanDerWaalsContact C-N 3.35Å; E177-A179 PolarHBondContact O-N 3.27Å; A179-S182 WeakPolarHBondContact O-CB 3.38Å; A179-S182 PolarHBondContact O-N 2.8Å; A179-S182 PolarHBondContact O-OG 2.84Å; A179-L183 PolarHBondContact O-N 3.14Å; A179-T236 HydrophobicContact CB-CG2 3.61Å; A179-Y274 HydrophobicContact CB-CD2 4.11Å; A179-Y274 HydrophobicContact CB-CE2 3.86Å; A179-L277 HydrophobicContact CB-CD2 3.6Å
180L96.4Very high94.4Very high0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-58.7-48.5172.4-84.3-175.9000112L129 F133 M168 T172 Y176 E177 S182 L183 V184 L277L129-L180 HydrophobicContact CD1-CD1 4.25Å; F133-L180 HydrophobicContact CD2-CD2 3.42Å; F133-L180 VanDerWaalsContact CD2-CD2 3.42Å; F133-L180 HydrophobicContact CE2-CD2 3.93Å; F133-L180 HydrophobicContact CG-CD2 4.41Å; M168-L180 HydrophobicContact CE-CB 3.62Å; M168-L180 HydrophobicContact CE-CD1 4.07Å; M168-L180 HydrophobicContact CE-CD2 4.47Å; M168-L180 HydrophobicContact CE-CG 4.31Å; T172-L180 HydrophobicContact CG2-CD1 3.82Å; Y176-L180 HydrophobicContact CD1-CD1 4Å; Y176-L180 HydrophobicContact CD2-CD1 4.37Å; Y176-L180 HydrophobicContact CD2-CG 4.18Å; Y176-L180 HydrophobicContact CE1-CD1 3.37Å; Y176-L180 HydrophobicContact CE1-CG 4.19Å; Y176-L180 HydrophobicContact CE2-CD1 3.81Å; Y176-L180 HydrophobicContact CE2-CD2 4.14Å; Y176-L180 HydrophobicContact CE2-CG 3.73Å; Y176-L180 HydrophobicContact CG-CD1 4.47Å; Y176-L180 WeakPolarHBondContact O-CB 3.19Å; Y176-L180 WeakPolarHBondContact O-CG 3.03Å; Y176-L180 PolarHBondContact O-N 3.02Å; Y176-L180 WeakPolarHBondContact OH-CD1 2.92Å; E177-L180 PolarHBondContact O-N 3.48Å; L180-S182 PolarHBondContact O-N 3.3Å; L180-L183 PolarHBondContact O-N 2.94Å; L180-L183 VanDerWaalsContact O-N 3.15Å; L180-V184 WeakPolarHBondContact O-CG2 3.45Å; L180-V184 PolarHBondContact O-N 2.84Å; L180-V184 VanDerWaalsContact O-N 3.08Å; L180-L277 HydrophobicContact CD2-CD1 4.32Å; L180-L277 HydrophobicContact CD2-CD2 4.04Å; L180-L277 HydrophobicContact CG-CD2 4.1Å
181L95.8Very high94.9Very high25 Ų2544.8 Ų44.813%0.13124%0.24CC..Hα-helixtrans-61.6-35.7177.5-74176.5000111.3V165 K169 E177 Y178 L183 V184 Q185V165-L181 HydrophobicContact CG1-CD2 3.95Å; K169-L181 HydrophobicContact CG-CD1 4.02Å; K169-L181 HydrophobicContact CG-CD2 4.23Å; E177-L181 HydrophobicContact CG-CD1 3.85Å; E177-L181 HydrophobicContact CG-CG 4.24Å; E177-L181 WeakPolarHBondContact O-CB 3.44Å; E177-L181 VanDerWaalsContact O-CG 3.3Å; E177-L181 WeakPolarHBondContact O-CG 3.39Å; E177-L181 PolarHBondContact O-N 3.07Å; Y178-L181 PolarHBondContact O-N 3.42Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 2.93Å; L181-V184 PolarHBondContact O-N 3.37Å; L181-Q185 WeakPolarHBondContact O-CG 3.35Å; L181-Q185 PolarHBondContact O-N 3.15Å
182S95.8Very high95.4Very high20 Ų2045.1 Ų45.114%0.1425%0.248CC..Hα-helixtrans-60.6-40174.7124.90000112.3Y178 A179 L180 C240Y178-S182 PolarHBondContact O-N 3.34Å; A179-S182 WeakPolarHBondContact O-CB 3.38Å; A179-S182 PolarHBondContact O-N 2.8Å; A179-S182 PolarHBondContact O-OG 2.84Å; L180-S182 PolarHBondContact O-N 3.3Å; S182-C240 VanDerWaalsContact OG-CB 3.3Å; S182-C240 WeakPolarHBondContact OG-CB 3.14Å
183L97.9Very high95.9Very high4 Ų449.7 Ų49.72%0.02127%0.271CS..Hα-helixtrans-67.6-40.1174.8-65.3174.9000111.3F133 A179 L180 L181 Q185 A186 C240 L277 V281F133-L183 HydrophobicContact CB-CD1 4.04Å; A179-L183 PolarHBondContact O-N 3.14Å; L180-L183 PolarHBondContact O-N 2.94Å; L180-L183 VanDerWaalsContact O-N 3.15Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 2.93Å; L183-Q185 VanDerWaalsContact C-N 3.35Å; L183-Q185 PolarHBondContact O-N 3.43Å; L183-A186 PolarHBondContact O-N 3.14Å; L183-C240 HydrophobicContact CD2-CB 3.8Å; L183-C240 WeakPolarHBondContact CD2-O 3.43Å; L183-C240 HydrophobicContact CG-CB 4.27Å; L183-L277 HydrophobicContact CD1-CD1 3.84Å; L183-V281 HydrophobicContact CD1-CG2 4.29Å
184V97.2Very high96.4Very high12 Ų1251.7 Ų51.77%0.07327%0.274CS..Hα-helixtrans-73.1-23.4-178176.50000113.4F133 M141 L164 V165 M168 L180 L181 A186F133-V184 HydrophobicContact CD1-CG2 3.96Å; F133-V184 HydrophobicContact CE1-CG2 3.67Å; F133-V184 HydrophobicContact CE2-CG2 4.44Å; F133-V184 HydrophobicContact CG-CG2 4.49Å; F133-V184 HydrophobicContact CZ-CG2 3.91Å; M141-V184 HydrophobicContact CE-CG1 4.44Å; M141-V184 HydrophobicContact CE-CG2 4.26Å; M141-V184 HydrophobicContact SD-CG2 4Å; L164-V184 HydrophobicContact CD2-CG1 4.02Å; L164-V184 HydrophobicContact CD2-CG2 4.41Å; L164-V184 HydrophobicContact CG-CG1 4.36Å; V165-V184 HydrophobicContact CG2-CG1 3.58Å; M168-V184 HydrophobicContact CE-CG2 3.73Å; M168-V184 HydrophobicContact SD-CB 4.47Å; M168-V184 HydrophobicContact SD-CG1 4.45Å; M168-V184 HydrophobicContact SD-CG2 3.68Å; L180-V184 WeakPolarHBondContact O-CG2 3.45Å; L180-V184 PolarHBondContact O-N 2.84Å; L180-V184 VanDerWaalsContact O-N 3.08Å; L181-V184 PolarHBondContact O-N 3.37Å; V184-A186 PolarHBondContact O-N 3.03Å
185Q96.1Very high96.7Very high102 Ų10253.5 Ų53.548%0.47727%0.269SS..THydrogen-bonded Turntrans-60.1-22.4170.4-68.9-47.2-40.100112.5L181 L183 E187L181-Q185 WeakPolarHBondContact O-CG 3.35Å; L181-Q185 PolarHBondContact O-N 3.15Å; L183-Q185 VanDerWaalsContact C-N 3.35Å; L183-Q185 PolarHBondContact O-N 3.43Å; Q185-E187 VanDerWaalsContact C-N 3.33Å; Q185-E187 HydrophobicContact CB-CG 4.38Å; Q185-E187 PolarHBondContact O-N 3.29Å
186A97.7Very high97Very high4 Ų450.8 Ų50.83%0.03326%0.255CS..THydrogen-bonded Turntrans59.342.1177.900000113.3N138 M141 K142 L183 V184N138-A186 HydrophobicContact CB-CB 4.26Å; N138-A186 WeakPolarHBondContact CB-O 3.33Å; N138-A186 VanDerWaalsContact CG-O 3.25Å; N138-A186 WeakPolarHBondContact O-CB 3.1Å; N138-A186 PolarHBondContact OD1-O 3.33Å; M141-A186 HydrophobicContact CB-CB 4.01Å; M141-A186 HydrophobicContact CG-CB 4.15Å; K142-A186 HydrophobicContact CD-CB 4.42Å; K142-A186 HydrophobicContact CG-CB 3.82Å; L183-A186 PolarHBondContact O-N 3.14Å; V184-A186 PolarHBondContact O-N 3.03Å
187E98.1Very high97.1Very high151 Ų15156.1 Ų56.171%0.70628%0.278SS*.  trans-121.729.6180-63.9-178.3163.800112.1N138 Q185N138-E187 PolarHBondContact OD1-N 2.97Å; Q185-E187 VanDerWaalsContact C-N 3.33Å; Q185-E187 HydrophobicContact CB-CG 4.38Å; Q185-E187 PolarHBondContact O-N 3.29Å
188R98.4Very high97.2Very high14 Ų1454.8 Ų54.85%0.05328%0.275CS..  trans-65.9157.6173.7-50.8177.875.1169.51.6109.5L136 W137 N138 D190 C240L136-R188 PolarHBondContact O-NH1 3.09Å; W137-R188 HydrophobicContact CH2-CB 4.05Å; W137-R188 HydrophobicContact CZ2-CB 3.55Å; W137-R188 HydrophobicContact CZ2-CG 4.49Å; N138-R188 PolarHBondContact ND2-O 3.1Å; N138-R188 WeakPolarHBondContact OD1-CB 3.36Å; N138-R188 WeakPolarHBondContact OD1-CG 3.46Å; N138-R188 PolarHBondContact OD1-N 3.09Å; R188-D190 PolarHBondContact O-N 2.9Å; R188-C240 WeakPolarHBondContact CG-O 3.5Å; R188-C240 PolarHBondContact NE-O 2.93Å; R188-C240 PolarHBondContact NH2-O 3.15Å
189D98.5Very high97.4Very high54 Ų5450.1 Ų50.129%0.28926%0.257SS..  trans-56.2131.6176.5-66-11.6000109.9W137 N241 R242 T243W137-D189 WeakPolarHBondContact CZ2-O 3.48Å; W137-D189 PolarHBondContact NE1-O 3.48Å; D189-N241 WeakPolarHBondContact CB-O 3.32Å; D189-N241 PolarHBondContact N-O 3.23Å; D189-R242 IonicContact OD1-NH1 2.95Å; D189-R242 PolarHBondContact OD1-NH1 2.96Å; D189-R242 WeakPolarHBondContact OD2-CD 3.49Å; D189-R242 IonicContact OD2-CZ 3.23Å; D189-R242 IonicContact OD2-NE 3.57Å; D189-R242 IonicContact OD2-NH1 3.08Å; D189-R242 PolarHBondContact OD2-NH1 3.46Å; D189-T243 HydrophobicContact CB-CG2 3.94Å; D189-T243 WeakPolarHBondContact O-CG2 3.45Å
190D97.7Very high97.5Very high91 Ų9153.3 Ų53.349%0.48728%0.278SS..  trans-111155-176.1-136.6-46.2000112.4N138 R188N138-D190 PolarHBondContact ND2-OD2 2.86Å; R188-D190 PolarHBondContact O-N 2.9Å
191I98.2Very high97.5Very high8 Ų860.2 Ų60.24%0.04131%0.314CS..  trans-121.1121.6175.6-60168.9000107.7I193 Q195 L196 I207 T243 Y245I191-I193 PolarHBondContact O-N 3.01Å; I191-Q195 HydrophobicContact CG2-CB 3.71Å; I191-L196 HydrophobicContact CB-CD1 4.4Å; I191-L196 HydrophobicContact CB-CD2 3.92Å; I191-L196 HydrophobicContact CB-CG 3.95Å; I191-L196 HydrophobicContact CD1-CD2 4.08Å; I191-L196 HydrophobicContact CG2-CD2 3.82Å; I191-L196 HydrophobicContact CG2-CG 3.7Å; I191-L196 WeakPolarHBondContact O-CD1 3.43Å; I191-I207 HydrophobicContact CD1-CB 4.15Å; I191-I207 HydrophobicContact CD1-CD1 3.86Å; I191-I207 HydrophobicContact CG2-CB 4.38Å; I191-I207 HydrophobicContact CG2-CG2 3.94Å; I191-T243 HydrophobicContact CD1-CG2 3.81Å; I191-T243 HydrophobicContact CG1-CG2 3.86Å; I191-Y245 HydrophobicContact CD1-CD2 3.56Å; I191-Y245 HydrophobicContact CD1-CE2 3.88Å
192P97.7Very high97.6Very high78 Ų7866.2 Ų66.251%0.50634%0.339SS..  trans-52137176.3-27.334.4000112.4L194 Q195 L196P192-L194 PolarHBondContact O-N 3.26Å; P192-Q195 WeakPolarHBondContact O-CA 3.19Å; P192-Q195 WeakPolarHBondContact O-CB 3.05Å; P192-Q195 PolarHBondContact O-N 3.44Å; P192-L196 PolarHBondContact O-N 3.48Å; P192-L196 VanDerWaalsContact O-N 3.16Å
193I96.9Very high97.7Very high107 Ų10766.6 Ų66.655%0.54935%0.346SS..Hα-helixtrans-51.9-34.9-177.6-65.4175.2000112.4I191 Q195 L196 K197I191-I193 PolarHBondContact O-N 3.01Å; I193-Q195 VanDerWaalsContact C-N 3.34Å; I193-Q195 PolarHBondContact O-N 3.37Å; I193-L196 PolarHBondContact O-N 3.42Å; I193-K197 HydrophobicContact CG2-CD 4.09Å; I193-K197 HydrophobicContact CG2-CG 4.28Å; I193-K197 WeakPolarHBondContact O-CB 3.5Å; I193-K197 WeakPolarHBondContact O-CG 3.35Å; I193-K197 PolarHBondContact O-N 2.9Å
194L97.4Very high97.7Very high144 Ų14467.1 Ų67.175%0.75435%0.35SS*.Hα-helixtrans-63.9-35.7176.9-69.7177000113.1P192 A198P192-L194 PolarHBondContact O-N 3.26Å; L194-A198 WeakPolarHBondContact O-CB 3.47Å; L194-A198 PolarHBondContact O-N 3.33Å
195Q98.2Very high97.7Very high88 Ų8871.9 Ų71.941%0.41138%0.375SS..Hα-helixtrans-73.8-42.4175.2-70.8-175.9-13.800111I191 P192 I193 K197 A198 I199 I207I191-Q195 HydrophobicContact CG2-CB 3.71Å; P192-Q195 WeakPolarHBondContact O-CA 3.19Å; P192-Q195 WeakPolarHBondContact O-CB 3.05Å; P192-Q195 PolarHBondContact O-N 3.44Å; I193-Q195 VanDerWaalsContact C-N 3.34Å; I193-Q195 PolarHBondContact O-N 3.37Å; Q195-K197 VanDerWaalsContact C-N 3.34Å; Q195-K197 PolarHBondContact O-N 3.11Å; Q195-A198 PolarHBondContact O-N 2.86Å; Q195-I199 PolarHBondContact O-N 2.8Å; Q195-I207 HydrophobicContact CB-CG2 3.82Å
196L98.1Very high97.7Very high2 Ų269.4 Ų69.41%0.0137%0.369CS..Hα-helixtrans-58-45.1174.7-69.3171.6000111.9L13 I14 F17 I191 P192 I193 A198 I199 Y245L13-L196 HydrophobicContact CB-CB 3.98Å; L13-L196 HydrophobicContact CB-CD1 3.89Å; L13-L196 HydrophobicContact CD2-CB 4.45Å; I14-L196 HydrophobicContact CB-CD1 4.28Å; I14-L196 HydrophobicContact CB-CD2 4.44Å; I14-L196 HydrophobicContact CG1-CD2 4.31Å; F17-L196 VanDerWaalsContact CE2-O 3.27Å; F17-L196 WeakPolarHBondContact CE2-O 3.46Å; F17-L196 WeakPolarHBondContact CZ-O 3.33Å; I191-L196 HydrophobicContact CB-CD1 4.4Å; I191-L196 HydrophobicContact CB-CD2 3.92Å; I191-L196 HydrophobicContact CB-CG 3.95Å; I191-L196 HydrophobicContact CD1-CD2 4.08Å; I191-L196 HydrophobicContact CG2-CD2 3.82Å; I191-L196 HydrophobicContact CG2-CG 3.7Å; I191-L196 WeakPolarHBondContact O-CD1 3.43Å; P192-L196 PolarHBondContact O-N 3.48Å; P192-L196 VanDerWaalsContact O-N 3.16Å; I193-L196 PolarHBondContact O-N 3.42Å; L196-A198 PolarHBondContact O-N 2.88Å; L196-I199 HydrophobicContact CD2-CD1 3.95Å; L196-I199 WeakPolarHBondContact O-CB 3.37Å; L196-I199 WeakPolarHBondContact O-CG1 3.41Å; L196-I199 PolarHBondContact O-N 3.06Å; L196-Y245 HydrophobicContact CD2-CE2 4.09Å
197K97.5Very high97.7Very high130 Ų13070.1 Ų70.157%0.56537%0.372SS*.Hα-helixtrans-63.1-26.4176.3-76.2-178.6176-177.80113.4L13 I193 Q195L13-K197 HydrophobicContact CD2-CG 3.52Å; I193-K197 HydrophobicContact CG2-CD 4.09Å; I193-K197 HydrophobicContact CG2-CG 4.28Å; I193-K197 WeakPolarHBondContact O-CB 3.5Å; I193-K197 WeakPolarHBondContact O-CG 3.35Å; I193-K197 PolarHBondContact O-N 2.9Å; Q195-K197 VanDerWaalsContact C-N 3.34Å; Q195-K197 PolarHBondContact O-N 3.11Å
198A97.9Very high97.8Very high16 Ų1664.6 Ų64.613%0.13235%0.347CS..THydrogen-bonded Turntrans-90.1-0.4-178.400000113.5L194 Q195 L196 D201 K202L194-A198 WeakPolarHBondContact O-CB 3.47Å; L194-A198 PolarHBondContact O-N 3.33Å; Q195-A198 PolarHBondContact O-N 2.86Å; L196-A198 PolarHBondContact O-N 2.88Å; A198-D201 PolarHBondContact O-N 3.13Å; A198-D201 VanDerWaalsContact O-N 3.11Å; A198-K202 HydrophobicContact CB-CD 4.02Å; A198-K202 HydrophobicContact CB-CG 4.19Å; A198-K202 WeakPolarHBondContact O-CB 3.14Å; A198-K202 PolarHBondContact O-N 2.85Å
199I98.2Very high97.8Very high2 Ų267.5 Ų67.51%0.0136%0.363CS..Hα-helixtrans-55.5-46179.1-70.7169.5000112.5F17 G21 Q195 L196 D201 G203 V204 I207 Y245F17-I199 HydrophobicContact CB-CG2 4.41Å; F17-I199 HydrophobicContact CD1-CB 4.33Å; F17-I199 HydrophobicContact CD1-CG2 3.92Å; F17-I199 HydrophobicContact CD2-CB 4.4Å; F17-I199 HydrophobicContact CD2-CD1 3.53Å; F17-I199 HydrophobicContact CD2-CG2 4.48Å; F17-I199 HydrophobicContact CE1-CB 4.23Å; F17-I199 HydrophobicContact CE1-CG2 4.27Å; F17-I199 HydrophobicContact CE2-CB 4.31Å; F17-I199 HydrophobicContact CE2-CD1 3.84Å; F17-I199 HydrophobicContact CG-CB 4.39Å; F17-I199 HydrophobicContact CG-CD1 4.04Å; F17-I199 HydrophobicContact CG-CG2 4.02Å; F17-I199 HydrophobicContact CZ-CB 4.22Å; G21-I199 VanDerWaalsContact CA-CG2 3.43Å; Q195-I199 PolarHBondContact O-N 2.8Å; L196-I199 HydrophobicContact CD2-CD1 3.95Å; L196-I199 WeakPolarHBondContact O-CB 3.37Å; L196-I199 WeakPolarHBondContact O-CG1 3.41Å; L196-I199 PolarHBondContact O-N 3.06Å; I199-D201 PolarHBondContact O-N 3.39Å; I199-G203 WeakPolarHBondContact O-CA 3.28Å; I199-G203 PolarHBondContact O-N 3.4Å; I199-V204 HydrophobicContact CG2-CG2 4.04Å; I199-I207 HydrophobicContact CD1-CD1 3.52Å; I199-I207 HydrophobicContact CG1-CD1 3.86Å; I199-Y245 HydrophobicContact CD1-CE1 4.25Å; I199-Y245 HydrophobicContact CD1-CE2 4.5Å
200P97.3Very high97.8Very high68 Ų6869.4 Ų69.444%0.44237%0.371SS..Hα-helixtrans-58.3-30.4177.4-28.437.9000114.2F17F17-P200 HydrophobicContact CE1-CG 3.63Å; F17-P200 HydrophobicContact CZ-CG 4.18Å
201D97.3Very high97.8Very high144 Ų14472.7 Ų72.777%0.7738%0.383SS*.Hα-helixtrans-93.9-41.2-174.6-57.7-38.1000112.4A198 I199A198-D201 PolarHBondContact O-N 3.13Å; A198-D201 VanDerWaalsContact O-N 3.11Å; I199-D201 PolarHBondContact O-N 3.39Å
202K97.3Very high97.8Very high151 Ų15174.9 Ų74.966%0.65739%0.394SS*.Hα-helixtrans-100.6-11.9-173.7-62.4-170.8179-174.30113.7A198A198-K202 HydrophobicContact CB-CD 4.02Å; A198-K202 HydrophobicContact CB-CG 4.19Å; A198-K202 WeakPolarHBondContact O-CB 3.14Å; A198-K202 PolarHBondContact O-N 2.85Å
203G97.3Very high97.9Very high28 Ų2871.2 Ų71.229%0.28937%0.37SS..  trans69.7165.8-172.600000113.7I199 N205 S206I199-G203 WeakPolarHBondContact O-CA 3.28Å; I199-G203 PolarHBondContact O-N 3.4Å; G203-N205 PolarHBondContact O-N 3.37Å; G203-S206 PolarHBondContact O-N 2.87Å; G203-S206 PolarHBondContact O-OG 3.45Å
204V97.9Very high98Very high15 Ų1570.2 Ų70.29%0.09136%0.363CS..G310 helixtrans-63.9-22.6-178.4-179.50000112.6I199 S206 I207 I208 Y245I199-V204 HydrophobicContact CG2-CG2 4.04Å; V204-S206 PolarHBondContact O-N 3.45Å; V204-I207 HydrophobicContact CG1-CD1 4.21Å; V204-I207 HydrophobicContact CG1-CG1 4.07Å; V204-I207 WeakPolarHBondContact O-CG1 3.26Å; V204-I207 PolarHBondContact O-N 3.47Å; V204-I208 HydrophobicContact CG1-CD1 4.36Å; V204-I208 HydrophobicContact CG1-CG2 3.79Å; V204-Y245 HydrophobicContact CG1-CD1 3.92Å; V204-Y245 HydrophobicContact CG1-CG 4.17Å; V204-Y245 HydrophobicContact CG2-CD1 4.34Å
205N97.6Very high98Very high113 Ų11365.5 Ų65.560%0.60435%0.345SS*.G310 helixtrans-57.9-23.4177.6-165.152000113.5G203 I207 H210G203-N205 PolarHBondContact O-N 3.37Å; N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 2.93Å; N205-H210 PolarHBondContact OD1-CE1 3.02Å
206S97.1Very high98Very high50 Ų5061.4 Ų61.435%0.3533%0.326SS..G310 helixtrans-76.5-8.4178.165.30000115G203 V204G203-S206 PolarHBondContact O-N 2.87Å; G203-S206 PolarHBondContact O-OG 3.45Å; V204-S206 PolarHBondContact O-N 3.45Å
207I98.2Very high97.9Very high19 Ų1961.3 Ų61.310%0.09733%0.326CS..G310 helixtrans-129.89.7-17359.2159.5000113.7I191 Q195 I199 V204 N205 Y245I191-I207 HydrophobicContact CD1-CB 4.15Å; I191-I207 HydrophobicContact CD1-CD1 3.86Å; I191-I207 HydrophobicContact CG2-CB 4.38Å; I191-I207 HydrophobicContact CG2-CG2 3.94Å; Q195-I207 HydrophobicContact CB-CG2 3.82Å; I199-I207 HydrophobicContact CD1-CD1 3.52Å; I199-I207 HydrophobicContact CG1-CD1 3.86Å; V204-I207 HydrophobicContact CG1-CD1 4.21Å; V204-I207 HydrophobicContact CG1-CG1 4.07Å; V204-I207 WeakPolarHBondContact O-CG1 3.26Å; V204-I207 PolarHBondContact O-N 3.47Å; N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 2.93Å; I207-Y245 HydrophobicContact CD1-CD1 3.93Å; I207-Y245 HydrophobicContact CD1-CD2 3.48Å; I207-Y245 VanDerWaalsContact CD1-CD2 3.48Å; I207-Y245 HydrophobicContact CD1-CE1 4.31Å; I207-Y245 HydrophobicContact CD1-CE2 3.91Å; I207-Y245 HydrophobicContact CD1-CG 3.48Å; I207-Y245 VanDerWaalsContact CD1-CG 3.48Å; I207-Y245 HydrophobicContact CG1-CG 4.49Å
208I98.6Very high97.9Very high34 Ų3459.7 Ų59.717%0.17432%0.319CS..  trans-122.4156.9178.864.7-171.7000110.4V204 L249V204-I208 HydrophobicContact CG1-CD1 4.36Å; V204-I208 HydrophobicContact CG1-CG2 3.79Å; I208-L249 HydrophobicContact CB-CD2 3.96Å; I208-L249 HydrophobicContact CD1-CB 4.46Å; I208-L249 HydrophobicContact CD1-CD2 3.91Å; I208-L249 HydrophobicContact CG1-CD2 3.95Å
209N98.7Very high97.7Very high75 Ų7561.6 Ų61.640%0.40133%0.327SS..  trans-126.5114.7-179.9-177-29000110.4E211 L212 A213 Q246N209-E211 PolarHBondContact OD1-N 3.46Å; N209-L212 HydrophobicContact CB-CB 3.84Å; N209-L212 PolarHBondContact OD1-N 2.85Å; N209-A213 WeakPolarHBondContact O-CB 3.47Å; N209-A213 PolarHBondContact O-N 2.89Å; N209-Q246 PolarHBondContact O-NE2 2.65Å
210H98.6Very high97.5Very high95 Ų9561.5 Ų61.544%0.4433%0.326SS..Hα-helixtrans-69-42.6-178.1-72.577.3000113N205 L212 A213 E214N205-H210 PolarHBondContact OD1-CE1 3.02Å; H210-L212 VanDerWaalsContact C-N 3.3Å; H210-L212 PolarHBondContact O-N 3.31Å; H210-A213 PolarHBondContact O-N 2.79Å; H210-E214 PolarHBondContact O-N 2.78Å
211E98.5Very high97.2Very high159 Ų15964.5 Ų64.574%0.74333%0.33SS*.Hα-helixtrans-63-41.3178.4-64.1-179.9176.200110.8N209 E214 A215N209-E211 PolarHBondContact OD1-N 3.46Å; E211-E214 PolarHBondContact O-N 2.98Å; E211-A215 WeakPolarHBondContact O-CB 3.35Å; E211-A215 PolarHBondContact O-N 3.22Å
212L98.6Very high96.9Very high55 Ų5559.8 Ų59.829%0.28831%0.311SS..Hα-helixtrans-64.2-45.7175.3-179.360.6000111.7N209 H210 E214 A215 D216 Q246N209-L212 HydrophobicContact CB-CB 3.84Å; N209-L212 PolarHBondContact OD1-N 2.85Å; H210-L212 VanDerWaalsContact C-N 3.3Å; H210-L212 PolarHBondContact O-N 3.31Å; L212-E214 VanDerWaalsContact C-N 3.33Å; L212-E214 PolarHBondContact O-N 2.78Å; L212-A215 PolarHBondContact O-N 3.5Å; L212-D216 WeakPolarHBondContact O-CB 3.44Å; L212-D216 PolarHBondContact O-N 2.78Å; L212-Q246 HydrophobicContact CD2-CG 4.47Å
213A98.7Very high96.2Very high0 Ų052.9 Ų52.90%028%0.282CS..Hα-helixtrans-62.9-39178.700000112N209 H210 A217 L249 I253N209-A213 WeakPolarHBondContact O-CB 3.47Å; N209-A213 PolarHBondContact O-N 2.89Å; H210-A213 PolarHBondContact O-N 2.79Å; A213-A217 VanDerWaalsContact O-CB 3.29Å; A213-A217 WeakPolarHBondContact O-CB 3.49Å; A213-A217 PolarHBondContact O-N 2.56Å; A213-L249 HydrophobicContact CB-CB 4.36Å; A213-L249 HydrophobicContact CB-CD2 3.81Å; A213-L249 HydrophobicContact CB-CG 3.73Å; A213-I253 HydrophobicContact CB-CD1 3.7Å
214E98.5Very high94.8Very high86 Ų8653.4 Ų53.440%0.40229%0.287SS..Hα-helixtrans-67.3-41.9174.9-167.3-172.3146.200112.1H210 E211 L212 A217 K218 I253 M257H210-E214 PolarHBondContact O-N 2.78Å; E211-E214 PolarHBondContact O-N 2.98Å; L212-E214 VanDerWaalsContact C-N 3.33Å; L212-E214 PolarHBondContact O-N 2.78Å; E214-A217 PolarHBondContact O-N 3.1Å; E214-K218 WeakPolarHBondContact O-CG 3.4Å; E214-K218 PolarHBondContact O-N 3.14Å; E214-K218 VanDerWaalsContact O-N 3.12Å; E214-K218 WeakPolarHBondContact OE1-CE 3.47Å; E214-K218 IonicContact OE1-NZ 2.68Å; E214-K218 PolarHBondContact OE1-NZ 3.3Å; E214-I253 HydrophobicContact CB-CG2 4.28Å; E214-I253 HydrophobicContact CG-CG2 4.36Å; E214-M257 HydrophobicContact CG-CE 4.39Å; E214-M257 HydrophobicContact CG-SD 3.99Å
215A98.1Very high93.3Very high45 Ų4557.3 Ų57.337%0.37232%0.321SS..Hα-helixtrans-63.2-46175.100000111.8E211 L212 A217 K218 D219E211-A215 WeakPolarHBondContact O-CB 3.35Å; E211-A215 PolarHBondContact O-N 3.22Å; L212-A215 PolarHBondContact O-N 3.5Å; A215-A217 VanDerWaalsContact C-N 3.34Å; A215-A217 PolarHBondContact O-N 2.86Å; A215-K218 WeakPolarHBondContact O-CB 3.43Å; A215-K218 PolarHBondContact O-N 2.71Å; A215-D219 PolarHBondContact O-N 3Å
216D98Very high91.5Very high3 Ų353.5 Ų53.52%0.01631%0.308CS..Hα-helixtrans-64.4-37.7177-75.7-31.3000111.5L212 K218 D219 L220 R237 V238 R242 T250L212-D216 WeakPolarHBondContact O-CB 3.44Å; L212-D216 PolarHBondContact O-N 2.78Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 PolarHBondContact O-N 2.9Å; D216-D219 PolarHBondContact O-N 3.16Å; D216-L220 WeakPolarHBondContact O-CB 3.22Å; D216-L220 WeakPolarHBondContact O-CD1 3.36Å; D216-L220 VanDerWaalsContact O-CG 3.23Å; D216-L220 WeakPolarHBondContact O-CG 3.2Å; D216-L220 PolarHBondContact O-N 3.12Å; D216-R237 IonicContact OD1-NH1 3.4Å; D216-R237 PolarHBondContact OD1-NH1 3.43Å; D216-V238 HydrophobicContact CB-CG1 3.85Å; D216-V238 HydrophobicContact CB-CG2 3.97Å; D216-V238 WeakPolarHBondContact OD1-CG2 3.23Å; D216-R242 IonicContact OD1-CZ 3.88Å; D216-R242 IonicContact OD1-NE 3.38Å; D216-R242 IonicContact OD1-NH2 3.02Å; D216-R242 PolarHBondContact OD1-NH2 2.84Å; D216-R242 IonicContact OD2-CZ 3.32Å; D216-R242 IonicContact OD2-NE 2.77Å; D216-R242 PolarHBondContact OD2-NE 2.94Å; D216-R242 IonicContact OD2-NH2 3.33Å; D216-R242 PolarHBondContact OD2-NH2 3.5Å; D216-R242 VanDerWaalsContact OD2-NH2 3.08Å; D216-T250 HydrophobicContact CB-CG2 4.03Å
217A97.1Very high89.7Confident0 Ų061.4 Ų61.40%033%0.33CS..Hα-helixtrans-61-41174.800000112A213 E214 A215 L220 Y221 I253 Y254 M257 Y258A213-A217 VanDerWaalsContact O-CB 3.29Å; A213-A217 WeakPolarHBondContact O-CB 3.49Å; A213-A217 PolarHBondContact O-N 2.56Å; E214-A217 PolarHBondContact O-N 3.1Å; A215-A217 VanDerWaalsContact C-N 3.34Å; A215-A217 PolarHBondContact O-N 2.86Å; A217-L220 PolarHBondContact O-N 2.84Å; A217-Y221 PolarHBondContact O-N 2.85Å; A217-I253 HydrophobicContact CB-CG2 4.16Å; A217-Y254 HydrophobicContact CB-CD2 4.16Å; A217-M257 HydrophobicContact CB-SD 4.13Å; A217-Y258 HydrophobicContact CB-CE2 4.47Å
218K95.8Very high88Confident95 Ų9567 Ų6741%0.41337%0.365SS..Hα-helixtrans-64.2-43.7174.3-68.2169-174164.90111.9E214 A215 D216 Y221 A222 M257 Y258E214-K218 WeakPolarHBondContact O-CG 3.4Å; E214-K218 PolarHBondContact O-N 3.14Å; E214-K218 VanDerWaalsContact O-N 3.12Å; E214-K218 WeakPolarHBondContact OE1-CE 3.47Å; E214-K218 IonicContact OE1-NZ 2.68Å; E214-K218 PolarHBondContact OE1-NZ 3.3Å; A215-K218 WeakPolarHBondContact O-CB 3.43Å; A215-K218 PolarHBondContact O-N 2.71Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 PolarHBondContact O-N 2.9Å; K218-Y221 PolarHBondContact O-N 3.43Å; K218-A222 WeakPolarHBondContact O-CB 3.46Å; K218-A222 PolarHBondContact O-N 3.01Å; K218-M257 HydrophobicContact CD-CE 4.44Å; K218-M257 HydrophobicContact CG-CE 3.81Å; K218-Y258 WeakPolarHBondContact CA-OH 3.22Å
219D94.1Very high86.3Confident57 Ų5766.6 Ų66.631%0.30537%0.369SS..Hα-helixtrans-64.2-40.3177.4-83.7-18.8000112.6A215 D216 S223 R237A215-D219 PolarHBondContact O-N 3Å; D216-D219 PolarHBondContact O-N 3.16Å; D219-S223 PolarHBondContact O-N 3.4Å; D219-S223 PolarHBondContact O-OG 3.26Å; D219-R237 IonicContact OD2-CZ 3.89Å; D219-R237 IonicContact OD2-NH2 3.84Å; D219-R237 PolarHBondContact OD2-NH2 3.3Å
220L94.7Very high84.9Confident0 Ų066.3 Ų66.30%037%0.37CS..Hα-helixtrans-61.9-50.9175.2-75.2162.9000110.1D216 A217 A222 S223 I235 V238 I239 T250 Y254 L262 H265D216-L220 WeakPolarHBondContact O-CB 3.22Å; D216-L220 WeakPolarHBondContact O-CD1 3.36Å; D216-L220 VanDerWaalsContact O-CG 3.23Å; D216-L220 WeakPolarHBondContact O-CG 3.2Å; D216-L220 PolarHBondContact O-N 3.12Å; A217-L220 PolarHBondContact O-N 2.84Å; L220-A222 PolarHBondContact O-N 3.27Å; L220-S223 VanDerWaalsContact O-CB 3.28Å; L220-S223 WeakPolarHBondContact O-CB 3.49Å; L220-S223 PolarHBondContact O-N 2.91Å; L220-I235 HydrophobicContact CD2-CB 4.37Å; L220-I235 HydrophobicContact CD2-CG1 4.15Å; L220-I235 HydrophobicContact CD2-CG2 4.29Å; L220-V238 HydrophobicContact CD1-CB 4.5Å; L220-V238 HydrophobicContact CD1-CG1 3.9Å; L220-V238 HydrophobicContact CD2-CB 4.27Å; L220-V238 HydrophobicContact CD2-CG1 4.49Å; L220-V238 HydrophobicContact CG-CB 4.41Å; L220-V238 HydrophobicContact CG-CG1 4.33Å; L220-V238 HydrophobicContact CG-CG2 4.43Å; L220-I239 HydrophobicContact CD2-CD1 4.4Å; L220-I239 HydrophobicContact CD2-CG1 4.43Å; L220-T250 HydrophobicContact CD1-CG2 3.84Å; L220-Y254 HydrophobicContact CB-CD2 4.19Å; L220-Y254 HydrophobicContact CB-CE2 3.94Å; L220-L262 HydrophobicContact CB-CD1 4.32Å; L220-L262 HydrophobicContact CD1-CD1 3.7Å; L220-L262 HydrophobicContact CD1-CD2 3.86Å; L220-L262 HydrophobicContact CD1-CG 4.46Å; L220-L262 HydrophobicContact CD2-CD1 4.3Å; L220-L262 HydrophobicContact CG-CD1 4.33Å; L220-H265 PolarHBondContact O-NE2 2.84Å; L220-H265 VanDerWaalsContact O-NE2 3.12Å
221Y91.7Very high83.9Confident131 Ų13162.2 Ų62.251%0.51435%0.352SS..Hα-helixtrans-59.2-44.1178.8-176.4-97.3000112.7A217 K218 S223 G224 Y258A217-Y221 PolarHBondContact O-N 2.85Å; K218-Y221 PolarHBondContact O-N 3.43Å; Y221-S223 PolarHBondContact O-N 2.99Å; Y221-S223 VanDerWaalsContact O-N 3.14Å; Y221-G224 PolarHBondContact O-N 3.33Å; Y221-Y258 VanDerWaalsContact CB-CZ 3.45Å; Y221-Y258 HydrophobicContact CD1-CD1 4.31Å; Y221-Y258 AromaticContact CD1-CE1 3.72Å; Y221-Y258 HydrophobicContact CD1-CE1 3.72Å; Y221-Y258 AromaticContact CD2-CD1 3.36Å; Y221-Y258 HydrophobicContact CD2-CD1 3.36Å; Y221-Y258 AromaticContact CD2-CD2 3.97Å; Y221-Y258 HydrophobicContact CD2-CD2 3.97Å; Y221-Y258 AromaticContact CD2-CE1 3.56Å; Y221-Y258 HydrophobicContact CD2-CE1 3.56Å; Y221-Y258 HydrophobicContact CD2-CE2 4.15Å; Y221-Y258 AromaticContact CD2-CG 3.59Å; Y221-Y258 HydrophobicContact CD2-CG 3.59Å; Y221-Y258 AromaticContact CD2-CZ 3.96Å; Y221-Y258 HydrophobicContact CE1-CD1 4.43Å; Y221-Y258 HydrophobicContact CE1-CE1 4.1Å; Y221-Y258 AromaticContact CE2-CD1 3.52Å; Y221-Y258 HydrophobicContact CE2-CD1 3.52Å; Y221-Y258 AromaticContact CE2-CE1 3.95Å; Y221-Y258 HydrophobicContact CE2-CE1 3.95Å; Y221-Y258 HydrophobicContact CE2-CG 4.01Å; Y221-Y258 AromaticContact CG-CD1 3.79Å; Y221-Y258 HydrophobicContact CG-CD1 3.79Å; Y221-Y258 HydrophobicContact CG-CD2 4.31Å; Y221-Y258 AromaticContact CG-CE1 3.43Å; Y221-Y258 HydrophobicContact CG-CE1 3.43Å; Y221-Y258 VanDerWaalsContact CG-CE1 3.43Å; Y221-Y258 HydrophobicContact CG-CE2 4.01Å; Y221-Y258 HydrophobicContact CG-CG 4.21Å; Y221-Y258 AromaticContact CG-CZ 3.55Å
222A89.4Confident83.2Confident45 Ų4556.3 Ų56.337%0.37232%0.324SS..Hα-helixtrans-64.4-17.4178.200000113.6K218 L220 G224 A225 G226K218-A222 WeakPolarHBondContact O-CB 3.46Å; K218-A222 PolarHBondContact O-N 3.01Å; L220-A222 PolarHBondContact O-N 3.27Å; A222-G224 VanDerWaalsContact C-N 3.3Å; A222-G224 PolarHBondContact O-N 2.85Å; A222-A225 PolarHBondContact O-N 3.37Å; A222-G226 PolarHBondContact O-N 2.65Å
223S83.5Confident82.8Confident6 Ų660.9 Ų60.94%0.04234%0.338CS..Hα-helixtrans-72.5-20.3179.6-60.60000112.8D219 L220 Y221 A225 S231 R234D219-S223 PolarHBondContact O-N 3.4Å; D219-S223 PolarHBondContact O-OG 3.26Å; L220-S223 VanDerWaalsContact O-CB 3.28Å; L220-S223 WeakPolarHBondContact O-CB 3.49Å; L220-S223 PolarHBondContact O-N 2.91Å; Y221-S223 PolarHBondContact O-N 2.99Å; Y221-S223 VanDerWaalsContact O-N 3.14Å; S223-A225 VanDerWaalsContact C-N 3.31Å; S223-A225 PolarHBondContact O-N 2.98Å; S223-S231 WeakPolarHBondContact O-CB 3.18Å; S223-S231 PolarHBondContact O-OG 2.88Å; S223-R234 WeakPolarHBondContact OG-CB 3.48Å; S223-R234 PolarHBondContact OG-NE 3.03Å; S223-R234 VanDerWaalsContact OG-NE 3.07Å
224G68.1Low82.5Confident39 Ų3964 Ų6440%0.40235%0.35SS..THydrogen-bonded Turntrans-69.9-23171.500000114.7Y221 A222 E269Y221-G224 PolarHBondContact O-N 3.33Å; A222-G224 VanDerWaalsContact C-N 3.3Å; A222-G224 PolarHBondContact O-N 2.85Å; G224-E269 WeakPolarHBondContact CA-OE2 3.43Å
225A65.2Low82.3Confident97 Ų9760.1 Ų60.180%0.80233%0.331SS*.THydrogen-bonded Turntrans-106.71.9-177.800000114A222 S223A222-A225 PolarHBondContact O-N 3.37Å; S223-A225 VanDerWaalsContact C-N 3.31Å; S223-A225 PolarHBondContact O-N 2.98Å
226G60.7Low82.2Confident32 Ų3258 Ų5833%0.3331%0.314SS..SBendtrans-80.9168.9-17300000114.5A222 S231A222-G226 PolarHBondContact O-N 2.65Å; G226-S231 WeakPolarHBondContact CA-OG 3.48Å
227R59.1Low82.2Confident216 Ų21662 Ų6282%0.81533%0.329SS*.PPolyproline II helixtrans-62.6136.9168.1-68.9-177.6-179.9178.1-0.2109.6G229 T230R227-G229 PolarHBondContact O-N 3.27Å; R227-T230 PolarHBondContact O-N 3.41Å
228V63.4Low82.2Confident137 Ų13762 Ų6283%0.8333%0.329SS*.THydrogen-bonded Turntrans-46.5131.2170.5-177.30000110T230V228-T230 PolarHBondContact O-N 3.3Å
229G62.7Low82.3Confident25 Ų2557.4 Ų57.426%0.25831%0.309SS..THydrogen-bonded Turntrans88.8-28.5-175.900000115.5R227 E232 R233R227-G229 PolarHBondContact O-N 3.27Å; G229-E232 WeakPolarHBondContact CA-OE2 3.48Å; G229-E232 PolarHBondContact N-OE1 3.42Å; G229-E232 PolarHBondContact N-OE2 2.66Å; G229-R233 WeakPolarHBondContact O-CG 3.33Å
230T68.2Low82.5Confident69 Ų6954.7 Ų54.742%0.42330%0.295SS..Hα-helixtrans-82.4-34.8176.9-57.70000111.7R227 V228 R234R227-T230 PolarHBondContact O-N 3.41Å; V228-T230 PolarHBondContact O-N 3.3Å; T230-R234 PolarHBondContact O-N 3.22Å
231S78.7Confident82.7Confident9 Ų956.1 Ų56.16%0.06330%0.302CS..Hα-helixtrans-65.9-44.5179.9-68.30000112.2S223 G226 R233 R234 I235S223-S231 WeakPolarHBondContact O-CB 3.18Å; S223-S231 PolarHBondContact O-OG 2.88Å; G226-S231 WeakPolarHBondContact CA-OG 3.48Å; S231-R233 VanDerWaalsContact C-N 3.32Å; S231-R233 PolarHBondContact O-N 3.31Å; S231-R234 PolarHBondContact O-N 3.17Å; S231-R234 VanDerWaalsContact O-N 3.16Å; S231-I235 WeakPolarHBondContact O-CG1 3.44Å; S231-I235 PolarHBondContact O-N 3.21Å
232E84.1Confident83Confident36 Ų3651 Ų5117%0.16828%0.282CS..Hα-helixtrans-64.7-37.5-179.1-6186.416400110.4D175 G229 R234 T236 Y274D175-E232 HydrophobicContact CB-CB 4.08Å; D175-E232 HydrophobicContact CB-CG 4.25Å; D175-E232 WeakPolarHBondContact OD1-CB 3.4Å; G229-E232 WeakPolarHBondContact CA-OE2 3.48Å; G229-E232 PolarHBondContact N-OE1 3.42Å; G229-E232 PolarHBondContact N-OE2 2.66Å; E232-R234 PolarHBondContact O-N 3.24Å; E232-T236 WeakPolarHBondContact O-CB 3.5Å; E232-T236 PolarHBondContact O-N 3.48Å; E232-T236 PolarHBondContact O-OG1 3.38Å; E232-Y274 WeakPolarHBondContact CA-OH 3.37Å; E232-Y274 HydrophobicContact CB-CE1 4.01Å; E232-Y274 HydrophobicContact CG-CE1 3.91Å; E232-Y274 PolarHBondContact O-OH 3.24Å
233R89.7Confident83.4Confident151 Ų15149.2 Ų49.257%0.5727%0.266SS*.Hα-helixtrans-66.5-38.1174.4-69.7-174.1-177.2-161.20.7113.2Y178 G229 S231 R237Y178-R233 HydrophobicContact CD1-CG 4.5Å; Y178-R233 HydrophobicContact CE1-CB 4.48Å; Y178-R233 HydrophobicContact CE1-CG 3.98Å; G229-R233 WeakPolarHBondContact O-CG 3.33Å; S231-R233 VanDerWaalsContact C-N 3.32Å; S231-R233 PolarHBondContact O-N 3.31Å; R233-R237 VanDerWaalsContact O-CB 3.27Å; R233-R237 WeakPolarHBondContact O-CB 3.23Å; R233-R237 PolarHBondContact O-N 3.47Å
234R91.8Very high84.2Confident65 Ų6549.2 Ų49.225%0.24527%0.266CS..Hα-helixtrans-67.4-47.5176.4-77.5-172.2-66.6-117.2-3.8111.3S223 T230 S231 E232 T236 R237 V238S223-R234 WeakPolarHBondContact OG-CB 3.48Å; S223-R234 PolarHBondContact OG-NE 3.03Å; S223-R234 VanDerWaalsContact OG-NE 3.07Å; T230-R234 PolarHBondContact O-N 3.22Å; S231-R234 PolarHBondContact O-N 3.17Å; S231-R234 VanDerWaalsContact O-N 3.16Å; E232-R234 PolarHBondContact O-N 3.24Å; R234-T236 PolarHBondContact O-N 3.23Å; R234-R237 PolarHBondContact O-N 2.93Å; R234-V238 PolarHBondContact O-N 3.17Å; R234-V238 VanDerWaalsContact O-N 3.15Å
235I95Very high85.6Confident4 Ų447.5 Ų47.52%0.02125%0.248CC..Hα-helixtrans-58.6-50.1176.5-63.1167.8000109.7L220 S231 R237 V238 I239 T270 L278L220-I235 HydrophobicContact CD2-CB 4.37Å; L220-I235 HydrophobicContact CD2-CG1 4.15Å; L220-I235 HydrophobicContact CD2-CG2 4.29Å; S231-I235 WeakPolarHBondContact O-CG1 3.44Å; S231-I235 PolarHBondContact O-N 3.21Å; I235-R237 PolarHBondContact O-N 2.88Å; I235-V238 PolarHBondContact O-N 3.36Å; I235-I239 HydrophobicContact CG2-CG1 3.96Å; I235-I239 WeakPolarHBondContact O-CB 3.44Å; I235-I239 WeakPolarHBondContact O-CG1 3.25Å; I235-I239 PolarHBondContact O-N 3.26Å; I235-T270 HydrophobicContact CD1-CG2 4.29Å; I235-L278 HydrophobicContact CG2-CD1 3.52Å; I235-L278 HydrophobicContact CG2-CD2 4.16Å; I235-L278 HydrophobicContact CG2-CG 4.46Å
236T96.2Very high87.2Confident1 Ų143.3 Ų43.31%0.00621%0.211CC..Hα-helixtrans-57.2-47177.2-570000111.8Y178 A179 E232 R234 V238 C240 Y274Y178-T236 HydrophobicContact CD1-CG2 3.9Å; Y178-T236 HydrophobicContact CE1-CG2 3.84Å; A179-T236 HydrophobicContact CB-CG2 3.61Å; E232-T236 WeakPolarHBondContact O-CB 3.5Å; E232-T236 PolarHBondContact O-N 3.48Å; E232-T236 PolarHBondContact O-OG1 3.38Å; R234-T236 PolarHBondContact O-N 3.23Å; T236-V238 VanDerWaalsContact C-N 3.26Å; T236-V238 PolarHBondContact O-N 2.87Å; T236-C240 HydrophobicContact CG2-CB 4.28Å; T236-C240 WeakPolarHBondContact O-CB 3.43Å; T236-C240 PolarHBondContact O-N 2.93Å; T236-Y274 WeakPolarHBondContact OG1-CE2 3.37Å; T236-Y274 PolarHBondContact OG1-OH 3.46Å
237R96.3Very high89Confident86 Ų8641.8 Ų41.833%0.32520%0.196SC..Hα-helixtrans-56.1-42.9-179.9177.2-17857.673.4-7.5111.5D216 D219 R233 R234 I235 N241D216-R237 IonicContact OD1-NH1 3.4Å; D216-R237 PolarHBondContact OD1-NH1 3.43Å; D219-R237 IonicContact OD2-CZ 3.89Å; D219-R237 IonicContact OD2-NH2 3.84Å; D219-R237 PolarHBondContact OD2-NH2 3.3Å; R233-R237 VanDerWaalsContact O-CB 3.27Å; R233-R237 WeakPolarHBondContact O-CB 3.23Å; R233-R237 PolarHBondContact O-N 3.47Å; R234-R237 PolarHBondContact O-N 2.93Å; I235-R237 PolarHBondContact O-N 2.88Å; R237-N241 VanDerWaalsContact O-CB 3.3Å; R237-N241 WeakPolarHBondContact O-CB 3.36Å; R237-N241 PolarHBondContact O-ND2 3.24Å
238V97.5Very high90.9Very high0 Ų034 Ų340%017%0.167CC..Hα-helixtrans-74.9-59.4180179.40000110.2D216 L220 R234 I235 T236 C240 N241 R242 L247 T250D216-V238 HydrophobicContact CB-CG1 3.85Å; D216-V238 HydrophobicContact CB-CG2 3.97Å; D216-V238 WeakPolarHBondContact OD1-CG2 3.23Å; L220-V238 HydrophobicContact CD1-CB 4.5Å; L220-V238 HydrophobicContact CD1-CG1 3.9Å; L220-V238 HydrophobicContact CD2-CB 4.27Å; L220-V238 HydrophobicContact CD2-CG1 4.49Å; L220-V238 HydrophobicContact CG-CB 4.41Å; L220-V238 HydrophobicContact CG-CG1 4.33Å; L220-V238 HydrophobicContact CG-CG2 4.43Å; R234-V238 PolarHBondContact O-N 3.17Å; R234-V238 VanDerWaalsContact O-N 3.15Å; I235-V238 PolarHBondContact O-N 3.36Å; T236-V238 VanDerWaalsContact C-N 3.26Å; T236-V238 PolarHBondContact O-N 2.87Å; V238-C240 PolarHBondContact O-N 3.35Å; V238-N241 PolarHBondContact O-N 3.14Å; V238-R242 HydrophobicContact CG1-CG 4.05Å; V238-R242 WeakPolarHBondContact O-CB 3.43Å; V238-R242 WeakPolarHBondContact O-CG 3.34Å; V238-R242 PolarHBondContact O-N 3.22Å; V238-L247 HydrophobicContact CG1-CD2 4.47Å; V238-T250 HydrophobicContact CG1-CG2 4.49Å
239I98.2Very high92.6Very high0 Ų028.4 Ų28.40%013%0.132CC..Hα-helixtrans-63.3-41.7-170.8-59.1-57000111.8L220 I235 L247 L262 I266 L278 V281L220-I239 HydrophobicContact CD2-CD1 4.4Å; L220-I239 HydrophobicContact CD2-CG1 4.43Å; I235-I239 HydrophobicContact CG2-CG1 3.96Å; I235-I239 WeakPolarHBondContact O-CB 3.44Å; I235-I239 WeakPolarHBondContact O-CG1 3.25Å; I235-I239 PolarHBondContact O-N 3.26Å; I239-L247 HydrophobicContact CD1-CD2 4.07Å; I239-L262 HydrophobicContact CD1-CD2 4.21Å; I239-I266 HydrophobicContact CD1-CD1 3.73Å; I239-I266 HydrophobicContact CG1-CD1 3.9Å; I239-L278 HydrophobicContact CB-CD2 3.83Å; I239-L278 HydrophobicContact CG1-CD2 4.31Å; I239-L278 HydrophobicContact CG2-CB 4.35Å; I239-L278 HydrophobicContact CG2-CD2 3.77Å; I239-V281 HydrophobicContact CG2-CB 3.96Å; I239-V281 HydrophobicContact CG2-CG1 3.9Å; I239-V281 WeakPolarHBondContact O-CG1 3.47Å
240C98.3Very high94.3Very high0 Ų027.2 Ų27.20%012%0.119CC..Hα-helixtrans-83.3-18.1-175.7-61.70000113.8S182 L183 R188 T236 V238S182-C240 VanDerWaalsContact OG-CB 3.3Å; S182-C240 WeakPolarHBondContact OG-CB 3.14Å; L183-C240 HydrophobicContact CD2-CB 3.8Å; L183-C240 WeakPolarHBondContact CD2-O 3.43Å; L183-C240 HydrophobicContact CG-CB 4.27Å; R188-C240 WeakPolarHBondContact CG-O 3.5Å; R188-C240 PolarHBondContact NE-O 2.93Å; R188-C240 PolarHBondContact NH2-O 3.15Å; T236-C240 HydrophobicContact CG2-CB 4.28Å; T236-C240 WeakPolarHBondContact O-CB 3.43Å; T236-C240 PolarHBondContact O-N 2.93Å; V238-C240 PolarHBondContact O-N 3.35Å
241N98.4Very high95.8Very high29 Ų2924.5 Ų24.516%0.15510%0.103CC..Hα-helixtrans-107.5-31.7-177.3-60.8-59.9000114.8D189 R237 V238D189-N241 WeakPolarHBondContact CB-O 3.32Å; D189-N241 PolarHBondContact N-O 3.23Å; R237-N241 VanDerWaalsContact O-CB 3.3Å; R237-N241 WeakPolarHBondContact O-CB 3.36Å; R237-N241 PolarHBondContact O-ND2 3.24Å; V238-N241 PolarHBondContact O-N 3.14Å
242R98.6Very high96.7Very high25 Ų2527.4 Ų27.49%0.09412%0.116CC..SBendtrans-64.1145.3-178.8-66.7-38.3175.2-134.3-10.1111.6D189 D216 V238 Q246 L247D189-R242 IonicContact OD1-NH1 2.95Å; D189-R242 PolarHBondContact OD1-NH1 2.96Å; D189-R242 WeakPolarHBondContact OD2-CD 3.49Å; D189-R242 IonicContact OD2-CZ 3.23Å; D189-R242 IonicContact OD2-NE 3.57Å; D189-R242 IonicContact OD2-NH1 3.08Å; D189-R242 PolarHBondContact OD2-NH1 3.46Å; D216-R242 IonicContact OD1-CZ 3.88Å; D216-R242 IonicContact OD1-NE 3.38Å; D216-R242 IonicContact OD1-NH2 3.02Å; D216-R242 PolarHBondContact OD1-NH2 2.84Å; D216-R242 IonicContact OD2-CZ 3.32Å; D216-R242 IonicContact OD2-NE 2.77Å; D216-R242 PolarHBondContact OD2-NE 2.94Å; D216-R242 IonicContact OD2-NH2 3.33Å; D216-R242 PolarHBondContact OD2-NH2 3.5Å; D216-R242 VanDerWaalsContact OD2-NH2 3.08Å; V238-R242 HydrophobicContact CG1-CG 4.05Å; V238-R242 WeakPolarHBondContact O-CB 3.43Å; V238-R242 WeakPolarHBondContact O-CG 3.34Å; V238-R242 PolarHBondContact O-N 3.22Å; R242-Q246 HydrophobicContact CB-CB 4.17Å; R242-Q246 HydrophobicContact CB-CG 4.1Å; R242-Q246 HydrophobicContact CG-CG 4.02Å; R242-L247 HydrophobicContact CB-CD2 3.66Å; R242-L247 HydrophobicContact CB-CG 3.62Å; R242-L247 HydrophobicContact CG-CD2 4.25Å
243T98.8Very high97.4Very high7 Ų726.9 Ų26.94%0.04311%0.114CC..  trans-61.9156.2173.172.30000110.3I14 W137 D189 I191 Y245 Q246 L247I14-T243 HydrophobicContact CD1-CG2 4.32Å; W137-T243 HydrophobicContact CZ2-CG2 4.35Å; D189-T243 HydrophobicContact CB-CG2 3.94Å; D189-T243 WeakPolarHBondContact O-CG2 3.45Å; I191-T243 HydrophobicContact CD1-CG2 3.81Å; I191-T243 HydrophobicContact CG1-CG2 3.86Å; T243-Y245 PolarHBondContact O-N 3.48Å; T243-Q246 PolarHBondContact O-N 2.9Å; T243-Q246 VanDerWaalsContact O-N 3.12Å; T243-Q246 WeakPolarHBondContact OG1-CB 3.41Å; T243-Q246 PolarHBondContact OG1-N 2.91Å; T243-Q246 VanDerWaalsContact OG1-N 3.11Å; T243-L247 PolarHBondContact O-N 3.05Å
244P98.7Very high97.8Very high6 Ų619.8 Ų19.84%0.0399%0.087CC..Hα-helixtrans-51.9-40175.6-29.937.6000113.2W137 L247 Y248 A285W137-P244 HydrophobicContact CZ3-CG 4.38Å; P244-L247 PolarHBondContact O-N 3.33Å; P244-Y248 PolarHBondContact O-N 2.86Å; P244-A285 HydrophobicContact CB-CB 4.03Å
245Y98.8Very high98.1Very high3 Ų321.7 Ų21.71%0.01210%0.097CC..Hα-helixtrans-67.6-43.6179.4-44.6-75.2000112.4I14 F17 I191 L196 I199 V204 I207 T243 Y248 L249I14-Y245 HydrophobicContact CG1-CE2 3.9Å; I14-Y245 PolarHBondContact O-OH 3.37Å; F17-Y245 HydrophobicContact CB-CE1 3.92Å; I191-Y245 HydrophobicContact CD1-CD2 3.56Å; I191-Y245 HydrophobicContact CD1-CE2 3.88Å; L196-Y245 HydrophobicContact CD2-CE2 4.09Å; I199-Y245 HydrophobicContact CD1-CE1 4.25Å; I199-Y245 HydrophobicContact CD1-CE2 4.5Å; V204-Y245 HydrophobicContact CG1-CD1 3.92Å; V204-Y245 HydrophobicContact CG1-CG 4.17Å; V204-Y245 HydrophobicContact CG2-CD1 4.34Å; I207-Y245 HydrophobicContact CD1-CD1 3.93Å; I207-Y245 HydrophobicContact CD1-CD2 3.48Å; I207-Y245 VanDerWaalsContact CD1-CD2 3.48Å; I207-Y245 HydrophobicContact CD1-CE1 4.31Å; I207-Y245 HydrophobicContact CD1-CE2 3.91Å; I207-Y245 HydrophobicContact CD1-CG 3.48Å; I207-Y245 VanDerWaalsContact CD1-CG 3.48Å; I207-Y245 HydrophobicContact CG1-CG 4.49Å; T243-Y245 PolarHBondContact O-N 3.48Å; Y245-Y248 PolarHBondContact O-N 2.86Å; Y245-L249 PolarHBondContact O-N 2.83Å; Y245-L249 VanDerWaalsContact O-N 3.15Å
246Q98.8Very high98.3Very high8 Ų829 Ų294%0.03713%0.129CC..Hα-helixtrans-68.5-37.7177.3-175.663.32600111.6N209 L212 R242 T243 L249 T250N209-Q246 PolarHBondContact O-NE2 2.65Å; L212-Q246 HydrophobicContact CD2-CG 4.47Å; R242-Q246 HydrophobicContact CB-CB 4.17Å; R242-Q246 HydrophobicContact CB-CG 4.1Å; R242-Q246 HydrophobicContact CG-CG 4.02Å; T243-Q246 PolarHBondContact O-N 2.9Å; T243-Q246 VanDerWaalsContact O-N 3.12Å; T243-Q246 WeakPolarHBondContact OG1-CB 3.41Å; T243-Q246 PolarHBondContact OG1-N 2.91Å; T243-Q246 VanDerWaalsContact OG1-N 3.11Å; Q246-L249 PolarHBondContact O-N 3.35Å; Q246-T250 WeakPolarHBondContact O-CB 3.42Å; Q246-T250 PolarHBondContact O-N 3.32Å; Q246-T250 PolarHBondContact O-OG1 2.96Å
247L98.7Very high98.4Very high1 Ų132.4 Ų32.41%0.00515%0.146CC..Hα-helixtrans-63.7-41.2174.3-77.7176.7000112.1V238 I239 R242 T243 P244 T250 S251 V281 A285V238-L247 HydrophobicContact CG1-CD2 4.47Å; I239-L247 HydrophobicContact CD1-CD2 4.07Å; R242-L247 HydrophobicContact CB-CD2 3.66Å; R242-L247 HydrophobicContact CB-CG 3.62Å; R242-L247 HydrophobicContact CG-CD2 4.25Å; T243-L247 PolarHBondContact O-N 3.05Å; P244-L247 PolarHBondContact O-N 3.33Å; L247-T250 PolarHBondContact O-N 3.02Å; L247-S251 WeakPolarHBondContact O-CB 3.4Å; L247-S251 PolarHBondContact O-N 2.87Å; L247-V281 HydrophobicContact CD1-CG1 4.35Å; L247-A285 HydrophobicContact CB-CB 3.72Å; L247-A285 HydrophobicContact CD1-CB 3.9Å; L247-A285 HydrophobicContact CG-CB 4.47Å
248Y98.8Very high98.4Very high53 Ų5331.4 Ų31.421%0.20814%0.143CC..Hα-helixtrans-59.4-49.2174.5-178.9-96000111.6P19 H20 P244 Y245 T250 S251 E252 I286P19-Y248 HydrophobicContact CB-CD1 3.78Å; P19-Y248 HydrophobicContact CB-CD2 3.34Å; P19-Y248 HydrophobicContact CB-CE1 4.13Å; P19-Y248 HydrophobicContact CB-CE2 3.7Å; P19-Y248 HydrophobicContact CB-CG 3.39Å; P19-Y248 HydrophobicContact CG-CD2 3.67Å; P19-Y248 HydrophobicContact CG-CE2 4.12Å; P19-Y248 HydrophobicContact CG-CG 4.11Å; H20-Y248 AromaticContact CE1-CZ 3.64Å; H20-Y248 PolarHBondContact CE1-OH 3.14Å; P244-Y248 PolarHBondContact O-N 2.86Å; Y245-Y248 PolarHBondContact O-N 2.86Å; Y248-T250 VanDerWaalsContact C-N 3.3Å; Y248-T250 PolarHBondContact O-N 3.34Å; Y248-S251 WeakPolarHBondContact O-CB 3.34Å; Y248-S251 PolarHBondContact O-N 2.77Å; Y248-E252 HydrophobicContact CD1-CG 4.24Å; Y248-E252 HydrophobicContact CE1-CG 3.75Å; Y248-E252 PolarHBondContact O-N 3.38Å; Y248-I286 HydrophobicContact CD2-CB 4.07Å; Y248-I286 HydrophobicContact CD2-CG2 3.91Å
249L98.8Very high98.3Very high18 Ų1834.4 Ų34.49%0.09417%0.173CC..Hα-helixtrans-59.5-41.9175.8-179.263.3000112.1I208 A213 Y245 Q246 S251 E252 I253I208-L249 HydrophobicContact CB-CD2 3.96Å; I208-L249 HydrophobicContact CD1-CB 4.46Å; I208-L249 HydrophobicContact CD1-CD2 3.91Å; I208-L249 HydrophobicContact CG1-CD2 3.95Å; A213-L249 HydrophobicContact CB-CB 4.36Å; A213-L249 HydrophobicContact CB-CD2 3.81Å; A213-L249 HydrophobicContact CB-CG 3.73Å; Y245-L249 PolarHBondContact O-N 2.83Å; Y245-L249 VanDerWaalsContact O-N 3.15Å; Q246-L249 PolarHBondContact O-N 3.35Å; L249-S251 VanDerWaalsContact C-N 3.32Å; L249-S251 PolarHBondContact O-N 3.09Å; L249-E252 PolarHBondContact O-N 3.46Å; L249-I253 HydrophobicContact CD1-CD1 4.1Å; L249-I253 HydrophobicContact CD1-CG1 4.24Å; L249-I253 HydrophobicContact CG-CD1 4.09Å; L249-I253 WeakPolarHBondContact O-CG1 3.09Å; L249-I253 PolarHBondContact O-N 2.83Å
250T98.8Very high98.1Very high0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-61.9-41.1177.5-54.70000111.1D216 L220 V238 Q246 L247 Y248 Y254 L262D216-T250 HydrophobicContact CB-CG2 4.03Å; L220-T250 HydrophobicContact CD1-CG2 3.84Å; V238-T250 HydrophobicContact CG1-CG2 4.49Å; Q246-T250 WeakPolarHBondContact O-CB 3.42Å; Q246-T250 PolarHBondContact O-N 3.32Å; Q246-T250 PolarHBondContact O-OG1 2.96Å; L247-T250 PolarHBondContact O-N 3.02Å; Y248-T250 VanDerWaalsContact C-N 3.3Å; Y248-T250 PolarHBondContact O-N 3.34Å; T250-Y254 WeakPolarHBondContact O-CB 3.49Å; T250-Y254 PolarHBondContact O-N 2.97Å; T250-L262 HydrophobicContact CG2-CD2 4.42Å
251S98.7Very high98.1Very high12 Ų1239.9 Ų39.98%0.08420%0.201CC..Hα-helixtrans-62.5-44.8175.6-1740000112L247 Y248 L249 Y254 F255L247-S251 WeakPolarHBondContact O-CB 3.4Å; L247-S251 PolarHBondContact O-N 2.87Å; Y248-S251 WeakPolarHBondContact O-CB 3.34Å; Y248-S251 PolarHBondContact O-N 2.77Å; L249-S251 VanDerWaalsContact C-N 3.32Å; L249-S251 PolarHBondContact O-N 3.09Å; S251-Y254 PolarHBondContact O-N 3.31Å; S251-F255 PolarHBondContact O-N 3.35Å
252E98.6Very high98Very high70 Ų7038.5 Ų38.533%0.32719%0.194SC..Hα-helixtrans-63-45.7177.8-74.4-67.2108.600112.3Y248 L249 K256Y248-E252 HydrophobicContact CD1-CG 4.24Å; Y248-E252 HydrophobicContact CE1-CG 3.75Å; Y248-E252 PolarHBondContact O-N 3.38Å; L249-E252 PolarHBondContact O-N 3.46Å; E252-K256 WeakPolarHBondContact O-CG 3.33Å; E252-K256 PolarHBondContact O-N 3.24Å; E252-K256 VanDerWaalsContact O-N 3.13Å
253I98.6Very high98Very high25 Ų2539 Ų3913%0.12820%0.198CC..Hα-helixtrans-66.2-42.8177.7-69.6-178.1000110.6A213 E214 A217 L249 F255 K256 M257A213-I253 HydrophobicContact CB-CD1 3.7Å; E214-I253 HydrophobicContact CB-CG2 4.28Å; E214-I253 HydrophobicContact CG-CG2 4.36Å; A217-I253 HydrophobicContact CB-CG2 4.16Å; L249-I253 HydrophobicContact CD1-CD1 4.1Å; L249-I253 HydrophobicContact CD1-CG1 4.24Å; L249-I253 HydrophobicContact CG-CD1 4.09Å; L249-I253 WeakPolarHBondContact O-CG1 3.09Å; L249-I253 PolarHBondContact O-N 2.83Å; I253-F255 PolarHBondContact O-N 3.36Å; I253-K256 PolarHBondContact O-N 3.26Å; I253-M257 HydrophobicContact CG2-CG 4.15Å; I253-M257 HydrophobicContact CG2-SD 3.54Å; I253-M257 VanDerWaalsContact CG2-SD 3.54Å; I253-M257 WeakPolarHBondContact O-CB 3.49Å; I253-M257 VanDerWaalsContact O-CG 3.29Å; I253-M257 WeakPolarHBondContact O-CG 3.16Å; I253-M257 PolarHBondContact O-N 2.79Å
254Y98.3Very high97.8Very high3 Ų343.1 Ų43.11%0.01222%0.217CC..Hα-helixtrans-56.9-47.9177.4-172-79.8000111.6A217 L220 T250 S251 K256 M257 Y258 K260 L262 H265A217-Y254 HydrophobicContact CB-CD2 4.16Å; L220-Y254 HydrophobicContact CB-CD2 4.19Å; L220-Y254 HydrophobicContact CB-CE2 3.94Å; T250-Y254 WeakPolarHBondContact O-CB 3.49Å; T250-Y254 PolarHBondContact O-N 2.97Å; S251-Y254 PolarHBondContact O-N 3.31Å; Y254-K256 PolarHBondContact O-N 2.98Å; Y254-M257 PolarHBondContact O-N 3.05Å; Y254-Y258 HydrophobicContact CD1-CD2 4.09Å; Y254-Y258 AromaticContact CD2-CD2 3.74Å; Y254-Y258 HydrophobicContact CD2-CD2 3.74Å; Y254-Y258 AromaticContact CD2-CE2 3.96Å; Y254-Y258 HydrophobicContact CD2-CE2 3.96Å; Y254-Y258 HydrophobicContact CE1-CD2 4.06Å; Y254-Y258 AromaticContact CE2-CD2 3.73Å; Y254-Y258 HydrophobicContact CE2-CD2 3.73Å; Y254-Y258 HydrophobicContact CE2-CE2 4.02Å; Y254-Y258 AromaticContact CG-CD2 3.92Å; Y254-Y258 HydrophobicContact CG-CD2 3.92Å; Y254-Y258 HydrophobicContact CG-CE2 4.49Å; Y254-Y258 AromaticContact CZ-CD2 3.87Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.42Å; Y254-Y258 PolarHBondContact O-N 2.91Å; Y254-K260 VanDerWaalsContact CD1-O 3.27Å; Y254-K260 WeakPolarHBondContact CD1-O 3.29Å; Y254-K260 WeakPolarHBondContact CE1-O 3.42Å; Y254-L262 HydrophobicContact CD1-CB 4.03Å; Y254-L262 HydrophobicContact CD1-CD1 4.44Å; Y254-L262 HydrophobicContact CD2-CD1 3.96Å; Y254-L262 HydrophobicContact CE2-CD1 4.09Å; Y254-L262 HydrophobicContact CG-CB 4.08Å; Y254-L262 HydrophobicContact CG-CD1 4.15Å; Y254-H265 HydrophobicContact CE1-CB 4.01Å; Y254-H265 AromaticContact CZ-CD2 3.9Å; Y254-H265 AromaticContact CZ-CG 3.76Å; Y254-H265 WeakPolarHBondContact OH-CB 3.36Å; Y254-H265 PolarHBondContact OH-CD2 3.02Å; Y254-H265 PolarHBondContact OH-CE1 3.28Å; Y254-H265 PolarHBondContact OH-ND1 3.27Å
255F98.2Very high97.6Very high104 Ų10443.3 Ų43.346%0.45622%0.217SC..Hα-helixtrans-61.4-44.4177.7-179.9-105.7000112.1S251 I253 M257 G259 T261S251-F255 PolarHBondContact O-N 3.35Å; I253-F255 PolarHBondContact O-N 3.36Å; F255-M257 VanDerWaalsContact C-N 3.29Å; F255-M257 PolarHBondContact O-N 3.47Å; F255-G259 WeakPolarHBondContact O-CA 3.48Å; F255-G259 PolarHBondContact O-N 3.39Å; F255-T261 HydrophobicContact CD2-CG2 3.95Å; F255-T261 HydrophobicContact CE2-CG2 4.29Å
256K98.3Very high97.5Very high159 Ų15943.1 Ų43.169%0.69122%0.216SC*.Hα-helixtrans-61.9-35.1177.5-72.6172-175.4172.30113E252 I253 Y254E252-K256 WeakPolarHBondContact O-CG 3.33Å; E252-K256 PolarHBondContact O-N 3.24Å; E252-K256 VanDerWaalsContact O-N 3.13Å; I253-K256 PolarHBondContact O-N 3.26Å; Y254-K256 PolarHBondContact O-N 2.98Å
257M97.6Very high97.3Very high72 Ų7246.9 Ų46.936%0.35523%0.234SC..Hα-helixtrans-80.7-37.4-178.3-71177.271.400113.4E214 A217 K218 I253 Y254 F255E214-M257 HydrophobicContact CG-CE 4.39Å; E214-M257 HydrophobicContact CG-SD 3.99Å; A217-M257 HydrophobicContact CB-SD 4.13Å; K218-M257 HydrophobicContact CD-CE 4.44Å; K218-M257 HydrophobicContact CG-CE 3.81Å; I253-M257 HydrophobicContact CG2-CG 4.15Å; I253-M257 HydrophobicContact CG2-SD 3.54Å; I253-M257 VanDerWaalsContact CG2-SD 3.54Å; I253-M257 WeakPolarHBondContact O-CB 3.49Å; I253-M257 VanDerWaalsContact O-CG 3.29Å; I253-M257 WeakPolarHBondContact O-CG 3.16Å; I253-M257 PolarHBondContact O-N 2.79Å; Y254-M257 PolarHBondContact O-N 3.05Å; F255-M257 VanDerWaalsContact C-N 3.29Å; F255-M257 PolarHBondContact O-N 3.47Å
258Y96.4Very high97Very high65 Ų6549.8 Ų49.826%0.25525%0.254SS..Hα-helixtrans-120.3-7.4-166.3-56.7-63.5000114.7A217 K218 Y221 Y254 K260A217-Y258 HydrophobicContact CB-CE2 4.47Å; K218-Y258 WeakPolarHBondContact CA-OH 3.22Å; Y221-Y258 VanDerWaalsContact CB-CZ 3.45Å; Y221-Y258 HydrophobicContact CD1-CD1 4.31Å; Y221-Y258 AromaticContact CD1-CE1 3.72Å; Y221-Y258 HydrophobicContact CD1-CE1 3.72Å; Y221-Y258 AromaticContact CD2-CD1 3.36Å; Y221-Y258 HydrophobicContact CD2-CD1 3.36Å; Y221-Y258 AromaticContact CD2-CD2 3.97Å; Y221-Y258 HydrophobicContact CD2-CD2 3.97Å; Y221-Y258 AromaticContact CD2-CE1 3.56Å; Y221-Y258 HydrophobicContact CD2-CE1 3.56Å; Y221-Y258 HydrophobicContact CD2-CE2 4.15Å; Y221-Y258 AromaticContact CD2-CG 3.59Å; Y221-Y258 HydrophobicContact CD2-CG 3.59Å; Y221-Y258 AromaticContact CD2-CZ 3.96Å; Y221-Y258 HydrophobicContact CE1-CD1 4.43Å; Y221-Y258 HydrophobicContact CE1-CE1 4.1Å; Y221-Y258 AromaticContact CE2-CD1 3.52Å; Y221-Y258 HydrophobicContact CE2-CD1 3.52Å; Y221-Y258 AromaticContact CE2-CE1 3.95Å; Y221-Y258 HydrophobicContact CE2-CE1 3.95Å; Y221-Y258 HydrophobicContact CE2-CG 4.01Å; Y221-Y258 AromaticContact CG-CD1 3.79Å; Y221-Y258 HydrophobicContact CG-CD1 3.79Å; Y221-Y258 HydrophobicContact CG-CD2 4.31Å; Y221-Y258 AromaticContact CG-CE1 3.43Å; Y221-Y258 HydrophobicContact CG-CE1 3.43Å; Y221-Y258 VanDerWaalsContact CG-CE1 3.43Å; Y221-Y258 HydrophobicContact CG-CE2 4.01Å; Y221-Y258 HydrophobicContact CG-CG 4.21Å; Y221-Y258 AromaticContact CG-CZ 3.55Å; Y254-Y258 HydrophobicContact CD1-CD2 4.09Å; Y254-Y258 AromaticContact CD2-CD2 3.74Å; Y254-Y258 HydrophobicContact CD2-CD2 3.74Å; Y254-Y258 AromaticContact CD2-CE2 3.96Å; Y254-Y258 HydrophobicContact CD2-CE2 3.96Å; Y254-Y258 HydrophobicContact CE1-CD2 4.06Å; Y254-Y258 AromaticContact CE2-CD2 3.73Å; Y254-Y258 HydrophobicContact CE2-CD2 3.73Å; Y254-Y258 HydrophobicContact CE2-CE2 4.02Å; Y254-Y258 AromaticContact CG-CD2 3.92Å; Y254-Y258 HydrophobicContact CG-CD2 3.92Å; Y254-Y258 HydrophobicContact CG-CE2 4.49Å; Y254-Y258 AromaticContact CZ-CD2 3.87Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.42Å; Y254-Y258 PolarHBondContact O-N 2.91Å; Y258-K260 PolarHBondContact O-N 3.36Å; Y258-K260 VanDerWaalsContact O-N 3.14Å
259G96.1Very high96.6Very high62 Ų6251.4 Ų51.464%0.63926%0.264SS*.SBendtrans68.28.1177.200000115.2F255F255-G259 WeakPolarHBondContact O-CA 3.48Å; F255-G259 PolarHBondContact O-N 3.39Å
260K94.3Very high96.3Very high70 Ų7051 Ų5130%0.30426%0.262SS..SBendtrans-125.5139.3175-176.4177.4178.1-172.90108.1Y254 Y258 E264 S268Y254-K260 VanDerWaalsContact CD1-O 3.27Å; Y254-K260 WeakPolarHBondContact CD1-O 3.29Å; Y254-K260 WeakPolarHBondContact CE1-O 3.42Å; Y258-K260 PolarHBondContact O-N 3.36Å; Y258-K260 VanDerWaalsContact O-N 3.14Å; K260-E264 HydrophobicContact CD-CB 4.37Å; K260-E264 VanDerWaalsContact CE-CB 3.41Å; K260-E264 WeakPolarHBondContact CE-O 3.23Å; K260-E264 HydrophobicContact CG-CB 3.94Å; K260-E264 PolarHBondContact NZ-O 3.04Å; K260-E264 VanDerWaalsContact NZ-O 3.08Å; K260-S268 PolarHBondContact NZ-OG 2.8Å
261T97.6Very high96Very high46 Ų4655.2 Ų55.228%0.28229%0.292SS..  trans-67.3150.3179.566.80000110.3F255 L263 E264 H265F255-T261 HydrophobicContact CD2-CG2 3.95Å; F255-T261 HydrophobicContact CE2-CG2 4.29Å; T261-L263 PolarHBondContact O-N 3.38Å; T261-E264 WeakPolarHBondContact CB-OE2 3.18Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.28Å; T261-E264 PolarHBondContact N-OE2 3.1Å; T261-E264 PolarHBondContact O-N 2.81Å; T261-E264 WeakPolarHBondContact OG1-CB 3.39Å; T261-E264 WeakPolarHBondContact OG1-CG 3.37Å; T261-E264 PolarHBondContact OG1-N 3.15Å; T261-E264 VanDerWaalsContact OG1-N 3.09Å; T261-E264 PolarHBondContact OG1-OE2 3.38Å; T261-H265 PolarHBondContact O-N 3.05Å
262L97.1Very high95.8Very high0 Ų056.5 Ų56.50%031%0.306CS..Hα-helixtrans-61.5-32.3175.4179.555.9000111.5L220 I239 T250 Y254 H265 I266 L282L220-L262 HydrophobicContact CB-CD1 4.32Å; L220-L262 HydrophobicContact CD1-CD1 3.7Å; L220-L262 HydrophobicContact CD1-CD2 3.86Å; L220-L262 HydrophobicContact CD1-CG 4.46Å; L220-L262 HydrophobicContact CD2-CD1 4.3Å; L220-L262 HydrophobicContact CG-CD1 4.33Å; I239-L262 HydrophobicContact CD1-CD2 4.21Å; T250-L262 HydrophobicContact CG2-CD2 4.42Å; Y254-L262 HydrophobicContact CD1-CB 4.03Å; Y254-L262 HydrophobicContact CD1-CD1 4.44Å; Y254-L262 HydrophobicContact CD2-CD1 3.96Å; Y254-L262 HydrophobicContact CE2-CD1 4.09Å; Y254-L262 HydrophobicContact CG-CB 4.08Å; Y254-L262 HydrophobicContact CG-CD1 4.15Å; L262-H265 WeakPolarHBondContact O-CB 3.38Å; L262-H265 PolarHBondContact O-N 3Å; L262-I266 HydrophobicContact CD1-CG1 4.43Å; L262-I266 HydrophobicContact CG-CD1 4.4Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.19Å; L262-L282 HydrophobicContact CB-CD2 4.32Å; L262-L282 HydrophobicContact CD2-CD1 4.15Å; L262-L282 HydrophobicContact CD2-CD2 4.31Å; L262-L282 HydrophobicContact CG-CD2 3.95Å
263L97.7Very high95.7Very high35 Ų3555.5 Ų55.518%0.18330%0.303CS..Hα-helixtrans-62.4-52.8175.2-179.260.1000111.6T261 H265 I266 E267 V279 L282 R283T261-L263 PolarHBondContact O-N 3.38Å; L263-H265 PolarHBondContact O-N 2.89Å; L263-I266 PolarHBondContact O-N 3.41Å; L263-I266 VanDerWaalsContact O-N 3.15Å; L263-E267 HydrophobicContact CD1-CG 4.42Å; L263-E267 WeakPolarHBondContact O-CG 3Å; L263-E267 PolarHBondContact O-N 3.16Å; L263-V279 HydrophobicContact CD1-CB 4.39Å; L263-V279 HydrophobicContact CD1-CG1 3.98Å; L263-V279 HydrophobicContact CD1-CG2 4.05Å; L263-L282 HydrophobicContact CB-CD2 4.08Å; L263-L282 HydrophobicContact CD1-CD2 4.3Å; L263-R283 HydrophobicContact CD1-CG 4.11Å; L263-R283 HydrophobicContact CD2-CG 4.24Å
264E96Very high95.6Very high93 Ų9355 Ų5544%0.43530%0.3SS..Hα-helixtrans-61.4-30.3177.2-69.6162.2139.600112.2K260 T261 S268K260-E264 HydrophobicContact CD-CB 4.37Å; K260-E264 VanDerWaalsContact CE-CB 3.41Å; K260-E264 WeakPolarHBondContact CE-O 3.23Å; K260-E264 HydrophobicContact CG-CB 3.94Å; K260-E264 PolarHBondContact NZ-O 3.04Å; K260-E264 VanDerWaalsContact NZ-O 3.08Å; T261-E264 WeakPolarHBondContact CB-OE2 3.18Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.28Å; T261-E264 PolarHBondContact N-OE2 3.1Å; T261-E264 PolarHBondContact O-N 2.81Å; T261-E264 WeakPolarHBondContact OG1-CB 3.39Å; T261-E264 WeakPolarHBondContact OG1-CG 3.37Å; T261-E264 PolarHBondContact OG1-N 3.15Å; T261-E264 VanDerWaalsContact OG1-N 3.09Å; T261-E264 PolarHBondContact OG1-OE2 3.38Å; E264-S268 PolarHBondContact O-N 3.11Å; E264-S268 VanDerWaalsContact O-N 3.13Å; E264-S268 PolarHBondContact O-OG 3.33Å
265H94.5Very high95.5Very high10 Ų1059.6 Ų59.65%0.04632%0.317CS..Hα-helixtrans-67.1-50.4174.317770.1000111L220 Y254 T261 L262 L263 E267 S268 E269L220-H265 PolarHBondContact O-NE2 2.84Å; L220-H265 VanDerWaalsContact O-NE2 3.12Å; Y254-H265 HydrophobicContact CE1-CB 4.01Å; Y254-H265 AromaticContact CZ-CD2 3.9Å; Y254-H265 AromaticContact CZ-CG 3.76Å; Y254-H265 WeakPolarHBondContact OH-CB 3.36Å; Y254-H265 PolarHBondContact OH-CD2 3.02Å; Y254-H265 PolarHBondContact OH-CE1 3.28Å; Y254-H265 PolarHBondContact OH-ND1 3.27Å; T261-H265 PolarHBondContact O-N 3.05Å; L262-H265 WeakPolarHBondContact O-CB 3.38Å; L262-H265 PolarHBondContact O-N 3Å; L263-H265 PolarHBondContact O-N 2.89Å; H265-E267 PolarHBondContact O-N 2.81Å; H265-S268 PolarHBondContact O-N 3.31Å; H265-S268 PolarHBondContact O-OG 3.42Å; H265-S268 VanDerWaalsContact O-OG 3.1Å; H265-E269 WeakPolarHBondContact CE1-CG 3.41Å; H265-E269 WeakPolarHBondContact O-CB 3.35Å; H265-E269 WeakPolarHBondContact O-CG 3.4Å; H265-E269 PolarHBondContact O-N 2.92Å
266I95.5Very high95.5Very high0 Ų060 Ų600%032%0.319CS..Hα-helixtrans-57.8-42.1175.7-69.6174.6000110.6I239 L262 L263 S268 T270 L278 V279 L282I239-I266 HydrophobicContact CD1-CD1 3.73Å; I239-I266 HydrophobicContact CG1-CD1 3.9Å; L262-I266 HydrophobicContact CD1-CG1 4.43Å; L262-I266 HydrophobicContact CG-CD1 4.4Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.19Å; L263-I266 PolarHBondContact O-N 3.41Å; L263-I266 VanDerWaalsContact O-N 3.15Å; I266-S268 VanDerWaalsContact C-N 3.31Å; I266-S268 PolarHBondContact O-N 3.05Å; I266-T270 WeakPolarHBondContact O-CB 3.4Å; I266-T270 PolarHBondContact O-N 3.14Å; I266-T270 VanDerWaalsContact O-N 3.11Å; I266-T270 PolarHBondContact O-OG1 3.2Å; I266-L278 HydrophobicContact CD1-CB 4.43Å; I266-L278 HydrophobicContact CG2-CB 3.63Å; I266-L278 HydrophobicContact CG2-CD1 4.05Å; I266-V279 HydrophobicContact CG2-CG2 4.03Å; I266-L282 HydrophobicContact CD1-CB 4.37Å; I266-L282 HydrophobicContact CD1-CD2 3.68Å
267E95.1Very high95.5Very high86 Ų8652.5 Ų52.540%0.40229%0.286SS..Hα-helixtrans-65.2-32.2-179-72.3178.8152.600113.8L263 H265 R275 V279L263-E267 HydrophobicContact CD1-CG 4.42Å; L263-E267 WeakPolarHBondContact O-CG 3Å; L263-E267 PolarHBondContact O-N 3.16Å; H265-E267 PolarHBondContact O-N 2.81Å; E267-R275 PolarHBondContact O-NH1 3.12Å; E267-V279 HydrophobicContact CG-CG2 3.89Å
268S91.7Very high95.5Very high63 Ų6349 Ų4944%0.44127%0.269SS..Hα-helixtrans-83.1-37.3177.269.60000113.8K260 E264 H265 I266K260-S268 PolarHBondContact NZ-OG 2.8Å; E264-S268 PolarHBondContact O-N 3.11Å; E264-S268 VanDerWaalsContact O-N 3.13Å; E264-S268 PolarHBondContact O-OG 3.33Å; H265-S268 PolarHBondContact O-N 3.31Å; H265-S268 PolarHBondContact O-OG 3.42Å; H265-S268 VanDerWaalsContact O-OG 3.1Å; I266-S268 VanDerWaalsContact C-N 3.31Å; I266-S268 PolarHBondContact O-N 3.05Å
269E90.4Very high95.6Very high87 Ų8746.9 Ų46.941%0.40726%0.262SS..Hα-helixtrans-88-11.8-173.8-59.7-43.5114.900113.6G224 H265G224-E269 WeakPolarHBondContact CA-OE2 3.43Å; H265-E269 WeakPolarHBondContact CE1-CG 3.41Å; H265-E269 WeakPolarHBondContact O-CB 3.35Å; H265-E269 WeakPolarHBondContact O-CG 3.4Å; H265-E269 PolarHBondContact O-N 2.92Å
270T92.7Very high95.7Very high10 Ų1044 Ų446%0.06123%0.233CC..  trans-128.4160.8-175.2720000112.2I235 I266 Y274 R275 L278I235-T270 HydrophobicContact CD1-CG2 4.29Å; I266-T270 WeakPolarHBondContact O-CB 3.4Å; I266-T270 PolarHBondContact O-N 3.14Å; I266-T270 VanDerWaalsContact O-N 3.11Å; I266-T270 PolarHBondContact O-OG1 3.2Å; T270-Y274 HydrophobicContact CG2-CD1 4.01Å; T270-Y274 HydrophobicContact CG2-CE1 3.69Å; T270-R275 WeakPolarHBondContact O-CD 3.34Å; T270-R275 PolarHBondContact O-NH1 3.46Å; T270-R275 VanDerWaalsContact OG1-CA 3.31Å; T270-R275 WeakPolarHBondContact OG1-CA 3.43Å; T270-R275 WeakPolarHBondContact OG1-CB 3.47Å; T270-R275 WeakPolarHBondContact OG1-CG 3.48Å; T270-L278 HydrophobicContact CG2-CD1 3.85Å
271S92.5Very high96Very high88 Ų8840.9 Ų40.962%0.61522%0.22SC*.  trans-140.8175.3-178.269.20000112.2R275S271-R275 PolarHBondContact O-N 3.21Å
272G94.8Very high96Very high38 Ų3838.7 Ų38.739%0.39221%0.206SC..Hα-helixtrans59.3-152.1174.600000114.2Y274 R275 K276G272-Y274 VanDerWaalsContact C-N 3.28Å; G272-R275 PolarHBondContact O-N 3Å; G272-K276 WeakPolarHBondContact O-CG 3.5Å; G272-K276 PolarHBondContact O-N 3.19Å
273D95.7Very high96.1Very high49 Ų4940 Ų4026%0.26221%0.211SC..Hα-helixtrans-71.4-22.5177.2-64.8-61.8000113.3I130 Y176 K276 L277I130-D273 HydrophobicContact CD1-CB 4.45Å; Y176-D273 HydrophobicContact CD1-CB 4.05Å; Y176-D273 VanDerWaalsContact CD2-C 3.45Å; Y176-D273 HydrophobicContact CD2-CB 3.76Å; Y176-D273 WeakPolarHBondContact CD2-O 3.38Å; Y176-D273 HydrophobicContact CE1-CB 4.09Å; Y176-D273 HydrophobicContact CE2-CB 3.79Å; Y176-D273 HydrophobicContact CG-CB 3.88Å; D273-K276 PolarHBondContact O-N 2.97Å; D273-K276 IonicContact OD1-NZ 2.95Å; D273-K276 PolarHBondContact OD1-NZ 3.15Å; D273-K276 IonicContact OD2-NZ 2.71Å; D273-L277 WeakPolarHBondContact O-CB 3.35Å; D273-L277 PolarHBondContact O-N 3.28Å
274Y96.3Very high96.1Very high16 Ų1638.6 Ų38.66%0.06320%0.204CC..Hα-helixtrans-58.8-49.4170-178-123.4000111D175 A179 E232 T236 T270 G272 K276 L277 L278D175-Y274 HydrophobicContact CB-CD1 4.13Å; D175-Y274 HydrophobicContact CB-CD2 3.96Å; D175-Y274 HydrophobicContact CB-CE1 4.3Å; D175-Y274 HydrophobicContact CB-CE2 4.14Å; D175-Y274 HydrophobicContact CB-CG 3.97Å; D175-Y274 WeakPolarHBondContact O-CD2 3.32Å; A179-Y274 HydrophobicContact CB-CD2 4.11Å; A179-Y274 HydrophobicContact CB-CE2 3.86Å; E232-Y274 WeakPolarHBondContact CA-OH 3.37Å; E232-Y274 HydrophobicContact CB-CE1 4.01Å; E232-Y274 HydrophobicContact CG-CE1 3.91Å; E232-Y274 PolarHBondContact O-OH 3.24Å; T236-Y274 WeakPolarHBondContact OG1-CE2 3.37Å; T236-Y274 PolarHBondContact OG1-OH 3.46Å; T270-Y274 HydrophobicContact CG2-CD1 4.01Å; T270-Y274 HydrophobicContact CG2-CE1 3.69Å; G272-Y274 VanDerWaalsContact C-N 3.28Å; Y274-K276 PolarHBondContact O-N 2.79Å; Y274-L277 PolarHBondContact O-N 3.47Å; Y274-L278 HydrophobicContact CD1-CD1 4.17Å; Y274-L278 HydrophobicContact CD2-CD1 4.38Å; Y274-L278 HydrophobicContact CD2-CG 4.37Å; Y274-L278 HydrophobicContact CE1-CD1 3.65Å; Y274-L278 HydrophobicContact CE2-CD1 3.88Å; Y274-L278 HydrophobicContact CE2-CD2 4.14Å; Y274-L278 HydrophobicContact CE2-CG 4.02Å; Y274-L278 HydrophobicContact CG-CD1 4.5Å; Y274-L278 VanDerWaalsContact CZ-CD1 3.48Å; Y274-L278 WeakPolarHBondContact O-CG 3.25Å; Y274-L278 PolarHBondContact O-N 3Å
275R96.7Very high96.3Very high99 Ų9934.3 Ų34.337%0.37418%0.184SC..Hα-helixtrans-58.1-48.9172.4-179.6172.956.1-164.14.8111.9E267 T270 S271 G272 L277 L278 V279E267-R275 PolarHBondContact O-NH1 3.12Å; T270-R275 WeakPolarHBondContact O-CD 3.34Å; T270-R275 PolarHBondContact O-NH1 3.46Å; T270-R275 VanDerWaalsContact OG1-CA 3.31Å; T270-R275 WeakPolarHBondContact OG1-CA 3.43Å; T270-R275 WeakPolarHBondContact OG1-CB 3.47Å; T270-R275 WeakPolarHBondContact OG1-CG 3.48Å; S271-R275 PolarHBondContact O-N 3.21Å; G272-R275 PolarHBondContact O-N 3Å; R275-L277 VanDerWaalsContact C-N 3.26Å; R275-L277 PolarHBondContact O-N 2.85Å; R275-L278 PolarHBondContact O-N 2.82Å; R275-V279 HydrophobicContact CG-CG2 3.93Å; R275-V279 WeakPolarHBondContact O-CB 3.22Å; R275-V279 VanDerWaalsContact O-CG2 3.28Å; R275-V279 WeakPolarHBondContact O-CG2 3.13Å; R275-V279 PolarHBondContact O-N 3.31Å
276K98.1Very high96.5Very high113 Ų11335.8 Ų35.849%0.49119%0.192SC..Hα-helixtrans-58.3-40.8-177.6-62.6-169.5-160.1900111.4I130 G272 D273 Y274 A280I130-K276 HydrophobicContact CD1-CB 3.71Å; G272-K276 WeakPolarHBondContact O-CG 3.5Å; G272-K276 PolarHBondContact O-N 3.19Å; D273-K276 PolarHBondContact O-N 2.97Å; D273-K276 IonicContact OD1-NZ 2.95Å; D273-K276 PolarHBondContact OD1-NZ 3.15Å; D273-K276 IonicContact OD2-NZ 2.71Å; Y274-K276 PolarHBondContact O-N 2.79Å; K276-A280 VanDerWaalsContact O-CB 3.22Å; K276-A280 WeakPolarHBondContact O-CB 3.41Å; K276-A280 PolarHBondContact O-N 3.42Å
277L98.4Very high96.6Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-64.1-50.4176.1178.861.5000112I130 Y176 A179 L180 L183 D273 Y274 R275 V279 A280 V281I130-L277 HydrophobicContact CD1-CB 4.38Å; I130-L277 HydrophobicContact CG1-CB 4.14Å; I130-L277 HydrophobicContact CG1-CD1 4.14Å; I130-L277 HydrophobicContact CG2-CD1 4.27Å; Y176-L277 HydrophobicContact CD2-CB 4.19Å; Y176-L277 HydrophobicContact CD2-CD2 4.1Å; Y176-L277 HydrophobicContact CE2-CB 4.06Å; Y176-L277 HydrophobicContact CE2-CD2 4.13Å; A179-L277 HydrophobicContact CB-CD2 3.6Å; L180-L277 HydrophobicContact CD2-CD1 4.32Å; L180-L277 HydrophobicContact CD2-CD2 4.04Å; L180-L277 HydrophobicContact CG-CD2 4.1Å; L183-L277 HydrophobicContact CD1-CD1 3.84Å; D273-L277 WeakPolarHBondContact O-CB 3.35Å; D273-L277 PolarHBondContact O-N 3.28Å; Y274-L277 PolarHBondContact O-N 3.47Å; R275-L277 VanDerWaalsContact C-N 3.26Å; R275-L277 PolarHBondContact O-N 2.85Å; L277-V279 PolarHBondContact O-N 3.34Å; L277-A280 WeakPolarHBondContact O-CB 3.3Å; L277-A280 PolarHBondContact O-N 3.42Å; L277-V281 HydrophobicContact CD1-CG2 4.16Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.49Å
278L98.2Very high96.8Very high0 Ų034.2 Ų34.20%019%0.186CC..Hα-helixtrans-63.5-42.9-179.1-66.2177.6000112.1I235 I239 I266 T270 Y274 R275 A280 V281 L282I235-L278 HydrophobicContact CG2-CD1 3.52Å; I235-L278 HydrophobicContact CG2-CD2 4.16Å; I235-L278 HydrophobicContact CG2-CG 4.46Å; I239-L278 HydrophobicContact CB-CD2 3.83Å; I239-L278 HydrophobicContact CG1-CD2 4.31Å; I239-L278 HydrophobicContact CG2-CB 4.35Å; I239-L278 HydrophobicContact CG2-CD2 3.77Å; I266-L278 HydrophobicContact CD1-CB 4.43Å; I266-L278 HydrophobicContact CG2-CB 3.63Å; I266-L278 HydrophobicContact CG2-CD1 4.05Å; T270-L278 HydrophobicContact CG2-CD1 3.85Å; Y274-L278 HydrophobicContact CD1-CD1 4.17Å; Y274-L278 HydrophobicContact CD2-CD1 4.38Å; Y274-L278 HydrophobicContact CD2-CG 4.37Å; Y274-L278 HydrophobicContact CE1-CD1 3.65Å; Y274-L278 HydrophobicContact CE2-CD1 3.88Å; Y274-L278 HydrophobicContact CE2-CD2 4.14Å; Y274-L278 HydrophobicContact CE2-CG 4.02Å; Y274-L278 HydrophobicContact CG-CD1 4.5Å; Y274-L278 VanDerWaalsContact CZ-CD1 3.48Å; Y274-L278 WeakPolarHBondContact O-CG 3.25Å; Y274-L278 PolarHBondContact O-N 3Å; R275-L278 PolarHBondContact O-N 2.82Å; L278-A280 VanDerWaalsContact C-N 3.34Å; L278-V281 PolarHBondContact O-N 2.82Å; L278-L282 WeakPolarHBondContact O-CB 3.43Å; L278-L282 PolarHBondContact O-N 3.33Å
279V98.6Very high97.1Very high19 Ų1932.5 Ų32.512%0.11517%0.173CC..Hα-helixtrans-60.3-45.2174.4168.30000110.2L263 I266 E267 R275 L277 L282 R283L263-V279 HydrophobicContact CD1-CB 4.39Å; L263-V279 HydrophobicContact CD1-CG1 3.98Å; L263-V279 HydrophobicContact CD1-CG2 4.05Å; I266-V279 HydrophobicContact CG2-CG2 4.03Å; E267-V279 HydrophobicContact CG-CG2 3.89Å; R275-V279 HydrophobicContact CG-CG2 3.93Å; R275-V279 WeakPolarHBondContact O-CB 3.22Å; R275-V279 VanDerWaalsContact O-CG2 3.28Å; R275-V279 WeakPolarHBondContact O-CG2 3.13Å; R275-V279 PolarHBondContact O-N 3.31Å; L277-V279 PolarHBondContact O-N 3.34Å; V279-L282 PolarHBondContact O-N 3.43Å; V279-R283 HydrophobicContact CG1-CG 4.23Å; V279-R283 VanDerWaalsContact O-CB 3.25Å; V279-R283 WeakPolarHBondContact O-CB 3.1Å; V279-R283 VanDerWaalsContact O-CG 3.32Å; V279-R283 WeakPolarHBondContact O-CG 3.29Å; V279-R283 PolarHBondContact O-N 3.43Å
280A98.8Very high97.5Very high3 Ų329.8 Ų29.83%0.02516%0.164CC..Hα-helixtrans-60.1-47.8176.900000112.1I130 T134 K276 L277 L278 Y284 L291 W295I130-A280 HydrophobicContact CG2-CB 3.51Å; T134-A280 HydrophobicContact CG2-CB 4.3Å; K276-A280 VanDerWaalsContact O-CB 3.22Å; K276-A280 WeakPolarHBondContact O-CB 3.41Å; K276-A280 PolarHBondContact O-N 3.42Å; L277-A280 WeakPolarHBondContact O-CB 3.3Å; L277-A280 PolarHBondContact O-N 3.42Å; L278-A280 VanDerWaalsContact C-N 3.34Å; A280-Y284 VanDerWaalsContact O-CB 3.24Å; A280-Y284 WeakPolarHBondContact O-CB 3.43Å; A280-Y284 PolarHBondContact O-N 3.07Å; A280-L291 WeakPolarHBondContact O-CD2 3.44Å; A280-W295 HydrophobicContact CB-CH2 4.27Å; A280-W295 HydrophobicContact CB-CZ2 3.74Å
281V98.7Very high97.8Very high3 Ų329.5 Ų29.52%0.01816%0.162CC..Hα-helixtrans-66.3-43.2-179.3175.80000111.7T134 L183 I239 L247 L277 L278 Y284 A285T134-V281 HydrophobicContact CG2-CG2 4.34Å; L183-V281 HydrophobicContact CD1-CG2 4.29Å; I239-V281 HydrophobicContact CG2-CB 3.96Å; I239-V281 HydrophobicContact CG2-CG1 3.9Å; I239-V281 WeakPolarHBondContact O-CG1 3.47Å; L247-V281 HydrophobicContact CD1-CG1 4.35Å; L277-V281 HydrophobicContact CD1-CG2 4.16Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.49Å; L278-V281 PolarHBondContact O-N 2.82Å; V281-Y284 PolarHBondContact O-N 3.31Å; V281-A285 PolarHBondContact O-N 3.42Å
282L98.8Very high98.1Very high0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-65.4-48.8176.9179.661.9000111.2L262 L263 I266 L278 V279 Y284 A285 I286L262-L282 HydrophobicContact CB-CD2 4.32Å; L262-L282 HydrophobicContact CD2-CD1 4.15Å; L262-L282 HydrophobicContact CD2-CD2 4.31Å; L262-L282 HydrophobicContact CG-CD2 3.95Å; L263-L282 HydrophobicContact CB-CD2 4.08Å; L263-L282 HydrophobicContact CD1-CD2 4.3Å; I266-L282 HydrophobicContact CD1-CB 4.37Å; I266-L282 HydrophobicContact CD1-CD2 3.68Å; L278-L282 WeakPolarHBondContact O-CB 3.43Å; L278-L282 PolarHBondContact O-N 3.33Å; V279-L282 PolarHBondContact O-N 3.43Å; L282-Y284 VanDerWaalsContact C-N 3.29Å; L282-Y284 PolarHBondContact O-N 3.42Å; L282-A285 WeakPolarHBondContact O-CA 3.24Å; L282-A285 VanDerWaalsContact O-CB 3.29Å; L282-A285 WeakPolarHBondContact O-CB 3.34Å; L282-A285 PolarHBondContact O-N 2.95Å; L282-I286 HydrophobicContact CD1-CD1 4.14Å; L282-I286 HydrophobicContact CD1-CG2 4.07Å; L282-I286 HydrophobicContact CD2-CD1 4.28Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 HydrophobicContact CG-CG1 4.39Å; L282-I286 WeakPolarHBondContact O-CG1 3.34Å; L282-I286 PolarHBondContact O-N 3.2Å
283R98.8Very high98.3Very high29 Ų2923.5 Ų23.511%0.10911%0.114CC..Hα-helixtrans-65.5-31.1178.3-70-17568.7-162.32.3112.1L263 V279 A285 I286 D287 R288 L291 E294L263-R283 HydrophobicContact CD1-CG 4.11Å; L263-R283 HydrophobicContact CD2-CG 4.24Å; V279-R283 HydrophobicContact CG1-CG 4.23Å; V279-R283 VanDerWaalsContact O-CB 3.25Å; V279-R283 WeakPolarHBondContact O-CB 3.1Å; V279-R283 VanDerWaalsContact O-CG 3.32Å; V279-R283 WeakPolarHBondContact O-CG 3.29Å; V279-R283 PolarHBondContact O-N 3.43Å; R283-A285 PolarHBondContact O-N 3.13Å; R283-I286 PolarHBondContact O-N 3.4Å; R283-D287 HydrophobicContact CB-CB 4.4Å; R283-D287 IonicContact CZ-OD2 3.65Å; R283-D287 IonicContact NE-OD2 2.87Å; R283-D287 PolarHBondContact NE-OD2 3.08Å; R283-D287 IonicContact NH2-OD2 3.79Å; R283-D287 PolarHBondContact NH2-OD2 3.11Å; R283-D287 CarbonylContact O-C 3.01Å; R283-D287 WeakPolarHBondContact O-CA 3.41Å; R283-D287 PolarHBondContact O-N 3.32Å; R283-R288 WeakPolarHBondContact O-CA 3.4Å; R283-R288 PolarHBondContact O-N 3.1Å; R283-L291 HydrophobicContact CB-CB 4.05Å; R283-L291 HydrophobicContact CB-CD1 4.16Å; R283-L291 HydrophobicContact CB-CD2 3.93Å; R283-L291 HydrophobicContact CB-CG 4.27Å; R283-E294 IonicContact CZ-OE1 2.79Å; R283-E294 IonicContact CZ-OE2 3.74Å; R283-E294 IonicContact NH1-OE1 3.31Å; R283-E294 PolarHBondContact NH1-OE1 2.62Å; R283-E294 IonicContact NH1-OE2 2.8Å; R283-E294 PolarHBondContact NH1-OE2 2.95Å; R283-E294 IonicContact NH2-OE1 3.74Å; R283-E294 PolarHBondContact NH2-OE1 3.31Å; R283-E294 IonicContact NH2-OE2 3.86Å
284Y98.8Very high98.4Very high5 Ų524 Ų242%0.0212%0.115CC..Hα-helixtrans-62.2-26.5171.8-171.9-93.8000112.6H15 T134 T135 A280 V281 L282 R288 I292 R317H15-Y284 AromaticContact ND1-CE1 3.57Å; H15-Y284 AromaticContact ND1-CZ 3.65Å; H15-Y284 PolarHBondContact ND1-OH 2.9Å; T134-Y284 HydrophobicContact CG2-CD2 4.03Å; T134-Y284 HydrophobicContact CG2-CG 3.83Å; T135-Y284 HydrophobicContact CG2-CD2 4.35Å; T135-Y284 HydrophobicContact CG2-CE2 3.88Å; A280-Y284 VanDerWaalsContact O-CB 3.24Å; A280-Y284 WeakPolarHBondContact O-CB 3.43Å; A280-Y284 PolarHBondContact O-N 3.07Å; V281-Y284 PolarHBondContact O-N 3.31Å; L282-Y284 VanDerWaalsContact C-N 3.29Å; L282-Y284 PolarHBondContact O-N 3.42Å; Y284-R288 HydrophobicContact CD2-CG 3.7Å; Y284-R288 HydrophobicContact CE2-CG 3.9Å; Y284-R288 HydrophobicContact CG-CG 4.26Å; Y284-R288 WeakPolarHBondContact O-CB 3.41Å; Y284-R288 PolarHBondContact O-NE 3.31Å; Y284-R288 PolarHBondContact O-NH2 3.36Å; Y284-I292 HydrophobicContact CD2-CD1 4.29Å; Y284-I292 HydrophobicContact CE2-CD1 4.11Å; Y284-R317 PolarHBondContact OH-NH1 3.27Å; Y284-R317 VanDerWaalsContact OH-NH1 3.1Å
285A98.7Very high98.4Very high2 Ų224.8 Ų24.82%0.01712%0.118CC..Hα-helixtrans-81.5-48.4172.600000112.6P19 P244 L247 V281 L282 R283P19-A285 WeakPolarHBondContact CG-O 3.33Å; P244-A285 HydrophobicContact CB-CB 4.03Å; L247-A285 HydrophobicContact CB-CB 3.72Å; L247-A285 HydrophobicContact CD1-CB 3.9Å; L247-A285 HydrophobicContact CG-CB 4.47Å; V281-A285 PolarHBondContact O-N 3.42Å; L282-A285 WeakPolarHBondContact O-CA 3.24Å; L282-A285 VanDerWaalsContact O-CB 3.29Å; L282-A285 WeakPolarHBondContact O-CB 3.34Å; L282-A285 PolarHBondContact O-N 2.95Å; R283-A285 PolarHBondContact O-N 3.13Å
286I98.3Very high98.5Very high42 Ų4220.1 Ų20.122%0.21510%0.1CC..Hα-helixtrans-105.7-19-16574.4177.4000115.4Y248 L282 R283Y248-I286 HydrophobicContact CD2-CB 4.07Å; Y248-I286 HydrophobicContact CD2-CG2 3.91Å; L282-I286 HydrophobicContact CD1-CD1 4.14Å; L282-I286 HydrophobicContact CD1-CG2 4.07Å; L282-I286 HydrophobicContact CD2-CD1 4.28Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 HydrophobicContact CG-CG1 4.39Å; L282-I286 WeakPolarHBondContact O-CG1 3.34Å; L282-I286 PolarHBondContact O-N 3.2Å; R283-I286 PolarHBondContact O-N 3.4Å
287D98.5Very high98.4Very high52 Ų5218.1 Ų18.128%0.2789%0.092SC..SBendtrans-15041.8-170.3-178.838.8000111R283 S290 L291R283-D287 HydrophobicContact CB-CB 4.4Å; R283-D287 IonicContact CZ-OD2 3.65Å; R283-D287 IonicContact NE-OD2 2.87Å; R283-D287 PolarHBondContact NE-OD2 3.08Å; R283-D287 IonicContact NH2-OD2 3.79Å; R283-D287 PolarHBondContact NH2-OD2 3.11Å; R283-D287 CarbonylContact O-C 3.01Å; R283-D287 WeakPolarHBondContact O-CA 3.41Å; R283-D287 PolarHBondContact O-N 3.32Å; D287-S290 PolarHBondContact O-N 2.79Å; D287-S290 WeakPolarHBondContact OD1-CB 3.27Å; D287-S290 PolarHBondContact OD1-OG 3.05Å; D287-S290 WeakPolarHBondContact OD2-CB 3.49Å; D287-L291 WeakPolarHBondContact O-CB 3.19Å; D287-L291 PolarHBondContact O-N 3.15Å; D287-L291 VanDerWaalsContact O-N 3.08Å
288R98.8Very high98.1Very high1 Ų121.4 Ų21.40%0.00411%0.11CC..Hα-helixtrans-61.9-46.4-169.1-167.5-170.2-58.9163.56.4113.6H15 Y24 R283 Y284 S290 L291 I292 D321H15-R288 PolarHBondContact O-NH1 2.99Å; Y24-R288 VanDerWaalsContact CE2-CZ 3.44Å; R283-R288 WeakPolarHBondContact O-CA 3.4Å; R283-R288 PolarHBondContact O-N 3.1Å; Y284-R288 HydrophobicContact CD2-CG 3.7Å; Y284-R288 HydrophobicContact CE2-CG 3.9Å; Y284-R288 HydrophobicContact CG-CG 4.26Å; Y284-R288 WeakPolarHBondContact O-CB 3.41Å; Y284-R288 PolarHBondContact O-NE 3.31Å; Y284-R288 PolarHBondContact O-NH2 3.36Å; R288-S290 VanDerWaalsContact C-N 3.33Å; R288-S290 PolarHBondContact O-N 3.34Å; R288-L291 PolarHBondContact O-N 3.36Å; R288-I292 HydrophobicContact CG-CD1 3.74Å; R288-I292 HydrophobicContact CG-CG1 4.29Å; R288-I292 WeakPolarHBondContact O-CG1 3.49Å; R288-I292 PolarHBondContact O-N 3.08Å; R288-I292 VanDerWaalsContact O-N 3.1Å; R288-D321 WeakPolarHBondContact CD-OD2 3.43Å; R288-D321 IonicContact NH1-OD2 3.68Å; R288-D321 PolarHBondContact NH1-OD2 3.41Å
289P98.8Very high97.9Very high27 Ų2721.5 Ų21.518%0.17511%0.111CC..Hα-helixtrans-57.2-44.8-179-28.238.7000112.9Y24 A293 D324 A328Y24-P289 HydrophobicContact CE1-CG 3.92Å; P289-A293 VanDerWaalsContact O-CB 3.25Å; P289-A293 WeakPolarHBondContact O-CB 3.43Å; P289-A293 PolarHBondContact O-N 3.45Å; P289-D324 HydrophobicContact CB-CB 4.46Å; P289-D324 HydrophobicContact CG-CB 4.14Å; P289-A328 HydrophobicContact CB-CB 3.56Å
290S98.8Very high97.6Very high29 Ų2921.6 Ų21.620%0.20311%0.11CC..Hα-helixtrans-67.6-45.2179.3-42.80000112D287 R288 I292 A293 E294D287-S290 PolarHBondContact O-N 2.79Å; D287-S290 WeakPolarHBondContact OD1-CB 3.27Å; D287-S290 PolarHBondContact OD1-OG 3.05Å; D287-S290 WeakPolarHBondContact OD2-CB 3.49Å; R288-S290 VanDerWaalsContact C-N 3.33Å; R288-S290 PolarHBondContact O-N 3.34Å; S290-I292 VanDerWaalsContact C-N 3.31Å; S290-I292 PolarHBondContact O-N 3.19Å; S290-A293 PolarHBondContact O-N 3.23Å; S290-E294 WeakPolarHBondContact O-CG 3.43Å; S290-E294 PolarHBondContact O-N 3.21Å
291L98.7Very high96.4Very high4 Ų424.3 Ų24.32%0.02113%0.132CC..Hα-helixtrans-53.2-49.617717367.4000111.7A280 R283 D287 R288 E294 W295A280-L291 WeakPolarHBondContact O-CD2 3.44Å; R283-L291 HydrophobicContact CB-CB 4.05Å; R283-L291 HydrophobicContact CB-CD1 4.16Å; R283-L291 HydrophobicContact CB-CD2 3.93Å; R283-L291 HydrophobicContact CB-CG 4.27Å; D287-L291 WeakPolarHBondContact O-CB 3.19Å; D287-L291 PolarHBondContact O-N 3.15Å; D287-L291 VanDerWaalsContact O-N 3.08Å; R288-L291 PolarHBondContact O-N 3.36Å; L291-E294 PolarHBondContact O-N 3.48Å; L291-W295 HydrophobicContact CD1-CD2 4.47Å; L291-W295 HydrophobicContact CD1-CZ2 3.75Å; L291-W295 HydrophobicContact CD2-CH2 4.03Å; L291-W295 HydrophobicContact CD2-CZ2 3.89Å; L291-W295 HydrophobicContact CG-CD2 4.34Å; L291-W295 HydrophobicContact CG-CH2 4.37Å; L291-W295 HydrophobicContact CG-CZ2 3.9Å; L291-W295 PolarHBondContact O-N 3.14Å
292I98.7Very high94.7Very high0 Ų026.1 Ų26.10%015%0.152CC..Hα-helixtrans-78.4-29.6-174.8-56.2-177.9000110.8Y284 R288 S290 E294 W295 L296 L313 R317 I325Y284-I292 HydrophobicContact CD2-CD1 4.29Å; Y284-I292 HydrophobicContact CE2-CD1 4.11Å; R288-I292 HydrophobicContact CG-CD1 3.74Å; R288-I292 HydrophobicContact CG-CG1 4.29Å; R288-I292 WeakPolarHBondContact O-CG1 3.49Å; R288-I292 PolarHBondContact O-N 3.08Å; R288-I292 VanDerWaalsContact O-N 3.1Å; S290-I292 VanDerWaalsContact C-N 3.31Å; S290-I292 PolarHBondContact O-N 3.19Å; I292-E294 VanDerWaalsContact C-N 3.33Å; I292-W295 HydrophobicContact CG1-CE3 4.19Å; I292-W295 HydrophobicContact CG1-CZ3 4.44Å; I292-W295 PolarHBondContact O-N 3.3Å; I292-L296 HydrophobicContact CG2-CD1 4.34Å; I292-L296 WeakPolarHBondContact O-CB 3.31Å; I292-L296 WeakPolarHBondContact O-CG 3.44Å; I292-L296 PolarHBondContact O-N 3.44Å; I292-L313 HydrophobicContact CG2-CD2 4.26Å; I292-R317 HydrophobicContact CG2-CG 4.14Å; I292-I325 HydrophobicContact CB-CD1 3.83Å; I292-I325 HydrophobicContact CB-CG1 4.09Å; I292-I325 HydrophobicContact CB-CG2 4.32Å; I292-I325 HydrophobicContact CD1-CD1 4.03Å; I292-I325 HydrophobicContact CG1-CD1 4.49Å; I292-I325 HydrophobicContact CG2-CD1 3.66Å; I292-I325 HydrophobicContact CG2-CG1 4.33Å; I292-I325 HydrophobicContact CG2-CG2 4.21Å
293A98.6Very high92.7Very high0 Ų034.4 Ų34.40%020%0.195CC..Hα-helixtrans-60.3-42.5169.700000111.8P289 S290 L296 H297 I325 A328 Y329 I332P289-A293 VanDerWaalsContact O-CB 3.25Å; P289-A293 WeakPolarHBondContact O-CB 3.43Å; P289-A293 PolarHBondContact O-N 3.45Å; S290-A293 PolarHBondContact O-N 3.23Å; A293-L296 PolarHBondContact O-N 3.18Å; A293-H297 WeakPolarHBondContact O-CB 3.43Å; A293-H297 PolarHBondContact O-N 2.76Å; A293-I325 HydrophobicContact CB-CG2 4.26Å; A293-A328 HydrophobicContact CB-CB 4.45Å; A293-Y329 HydrophobicContact CB-CD2 4.06Å; A293-Y329 HydrophobicContact CB-CG 4.41Å; A293-Y329 WeakPolarHBondContact O-CD2 3.44Å; A293-I332 HydrophobicContact CB-CD1 4.25Å
294E97.9Very high90.9Very high60 Ų6034.9 Ų34.928%0.2821%0.209SC..Hα-helixtrans-64-42.4172.9-69.5165.5-149.200112.2R283 S290 L291 I292 L296 H297 D298 Y333R283-E294 IonicContact CZ-OE1 2.79Å; R283-E294 IonicContact CZ-OE2 3.74Å; R283-E294 IonicContact NH1-OE1 3.31Å; R283-E294 PolarHBondContact NH1-OE1 2.62Å; R283-E294 IonicContact NH1-OE2 2.8Å; R283-E294 PolarHBondContact NH1-OE2 2.95Å; R283-E294 IonicContact NH2-OE1 3.74Å; R283-E294 PolarHBondContact NH2-OE1 3.31Å; R283-E294 IonicContact NH2-OE2 3.86Å; S290-E294 WeakPolarHBondContact O-CG 3.43Å; S290-E294 PolarHBondContact O-N 3.21Å; L291-E294 PolarHBondContact O-N 3.48Å; I292-E294 VanDerWaalsContact C-N 3.33Å; E294-L296 VanDerWaalsContact C-N 3.32Å; E294-L296 PolarHBondContact O-N 3.2Å; E294-H297 WeakPolarHBondContact O-CB 3.36Å; E294-H297 PolarHBondContact O-N 3.4Å; E294-D298 WeakPolarHBondContact O-CB 3.44Å; E294-D298 PolarHBondContact O-N 3.35Å; E294-Y333 WeakPolarHBondContact CG-OH 3.45Å
295W97.3Very high88.9Confident33 Ų3339.3 Ų39.313%0.12524%0.236CC..Hα-helixtrans-61.6-40175.5-69.7-3.5000112.9R127 E131 T134 T135 A280 L291 I292 S299 L313R127-W295 PolarHBondContact NH2-O 3.38Å; R127-W295 VanDerWaalsContact NH2-O 3.13Å; E131-W295 HydrophobicContact CB-CE3 4.45Å; E131-W295 HydrophobicContact CB-CZ3 4.25Å; E131-W295 HydrophobicContact CG-CD2 4.46Å; E131-W295 HydrophobicContact CG-CE3 3.72Å; E131-W295 HydrophobicContact CG-CZ3 3.76Å; T134-W295 HydrophobicContact CG2-CH2 4.09Å; T135-W295 HydrophobicContact CG2-CZ3 4.29Å; A280-W295 HydrophobicContact CB-CH2 4.27Å; A280-W295 HydrophobicContact CB-CZ2 3.74Å; L291-W295 HydrophobicContact CD1-CD2 4.47Å; L291-W295 HydrophobicContact CD1-CZ2 3.75Å; L291-W295 HydrophobicContact CD2-CH2 4.03Å; L291-W295 HydrophobicContact CD2-CZ2 3.89Å; L291-W295 HydrophobicContact CG-CD2 4.34Å; L291-W295 HydrophobicContact CG-CH2 4.37Å; L291-W295 HydrophobicContact CG-CZ2 3.9Å; L291-W295 PolarHBondContact O-N 3.14Å; I292-W295 HydrophobicContact CG1-CE3 4.19Å; I292-W295 HydrophobicContact CG1-CZ3 4.44Å; I292-W295 PolarHBondContact O-N 3.3Å; W295-S299 WeakPolarHBondContact O-CB 3.38Å; W295-S299 PolarHBondContact O-N 2.87Å; W295-S299 VanDerWaalsContact O-N 3.09Å; W295-L313 HydrophobicContact CB-CD1 3.82Å; W295-L313 HydrophobicContact CE3-CD2 4.11Å
296L97.2Very high87.5Confident0 Ų042.8 Ų42.80%025%0.251CS..Hα-helixtrans-64.5-45.6173.9-77162.7000110.9I292 A293 E294 D298 S299 M300 L310 L313 L314 I325 L337I292-L296 HydrophobicContact CG2-CD1 4.34Å; I292-L296 WeakPolarHBondContact O-CB 3.31Å; I292-L296 WeakPolarHBondContact O-CG 3.44Å; I292-L296 PolarHBondContact O-N 3.44Å; A293-L296 PolarHBondContact O-N 3.18Å; E294-L296 VanDerWaalsContact C-N 3.32Å; E294-L296 PolarHBondContact O-N 3.2Å; L296-D298 PolarHBondContact O-N 3.16Å; L296-S299 WeakPolarHBondContact CA-OG 3.45Å; L296-S299 WeakPolarHBondContact O-CB 3.32Å; L296-S299 PolarHBondContact O-N 3.36Å; L296-S299 VanDerWaalsContact O-N 3.11Å; L296-S299 PolarHBondContact O-OG 3.04Å; L296-M300 WeakPolarHBondContact O-CE 3.45Å; L296-M300 PolarHBondContact O-N 3.41Å; L296-L310 HydrophobicContact CD2-CD1 3.8Å; L296-L313 HydrophobicContact CD2-CB 3.71Å; L296-L313 HydrophobicContact CD2-CD1 4.14Å; L296-L313 HydrophobicContact CG-CB 4.3Å; L296-L313 HydrophobicContact CG-CD1 4.18Å; L296-L314 HydrophobicContact CD2-CD2 4.04Å; L296-L314 HydrophobicContact CD2-CG 4.04Å; L296-I325 HydrophobicContact CD1-CG2 3.53Å; L296-L337 HydrophobicContact CB-CD1 4.09Å; L296-L337 HydrophobicContact CD1-CD1 4.22Å; L296-L337 HydrophobicContact CD1-CD2 3.7Å
297H95.9Very high86.5Confident72 Ų7242.2 Ų42.233%0.33325%0.249SC..Hα-helixtrans-55.7-53.4177.5-175.173.8000111.8A293 E294 S299 M300 Y329 Y333A293-H297 WeakPolarHBondContact O-CB 3.43Å; A293-H297 PolarHBondContact O-N 2.76Å; E294-H297 WeakPolarHBondContact O-CB 3.36Å; E294-H297 PolarHBondContact O-N 3.4Å; H297-S299 PolarHBondContact O-N 3.01Å; H297-M300 PolarHBondContact O-N 3.42Å; H297-Y329 HydrophobicContact CB-CE2 3.8Å; H297-Y329 AromaticContact ND1-CZ 3.94Å; H297-Y329 PolarHBondContact ND1-OH 3.06Å; H297-Y329 VanDerWaalsContact ND1-OH 3.12Å; H297-Y333 HydrophobicContact CB-CD2 4.42Å; H297-Y333 HydrophobicContact CB-CE1 4.12Å; H297-Y333 HydrophobicContact CB-CE2 3.63Å; H297-Y333 VanDerWaalsContact CB-CZ 3.46Å; H297-Y333 WeakPolarHBondContact CB-OH 3.2Å; H297-Y333 AromaticContact CD2-CE1 3.54Å; H297-Y333 AromaticContact CD2-CZ 3.73Å; H297-Y333 AromaticContact CE1-CD1 3.73Å; H297-Y333 AromaticContact CE1-CE1 3.68Å; H297-Y333 AromaticContact CG-CE1 3.47Å; H297-Y333 VanDerWaalsContact CG-CE1 3.47Å; H297-Y333 AromaticContact CG-CE2 3.86Å; H297-Y333 AromaticContact CG-CZ 3.36Å; H297-Y333 AromaticContact ND1-CD1 3.69Å; H297-Y333 AromaticContact ND1-CE1 3.57Å; H297-Y333 AromaticContact ND1-CG 4Å; H297-Y333 AromaticContact ND1-CZ 3.79Å; H297-Y333 AromaticContact NE2-CE1 3.69Å
298D93.8Very high86.1Confident69 Ų6943.7 Ų43.737%0.36925%0.251SS..Hα-helixtrans-62.1-26.7178.3-80.70.2000113.8R127 E294 L296 M300R127-D298 IonicContact CZ-OD2 2.65Å; R127-D298 VanDerWaalsContact NH1-CB 3.25Å; R127-D298 IonicContact NH1-OD2 3.22Å; R127-D298 PolarHBondContact NH1-OD2 3.47Å; R127-D298 IonicContact NH2-OD2 3.73Å; E294-D298 WeakPolarHBondContact O-CB 3.44Å; E294-D298 PolarHBondContact O-N 3.35Å; L296-D298 PolarHBondContact O-N 3.16Å; D298-M300 VanDerWaalsContact C-N 3.26Å
299S93.6Very high85.8Confident2 Ų243.9 Ų43.91%0.01425%0.253CS..Hα-helixtrans-75.5-13.6176.977.60000113.4W295 L296 H297 K306 L310W295-S299 WeakPolarHBondContact O-CB 3.38Å; W295-S299 PolarHBondContact O-N 2.87Å; W295-S299 VanDerWaalsContact O-N 3.09Å; L296-S299 WeakPolarHBondContact CA-OG 3.45Å; L296-S299 WeakPolarHBondContact O-CB 3.32Å; L296-S299 PolarHBondContact O-N 3.36Å; L296-S299 VanDerWaalsContact O-N 3.11Å; L296-S299 PolarHBondContact O-OG 3.04Å; H297-S299 PolarHBondContact O-N 3.01Å; S299-K306 WeakPolarHBondContact O-CB 3.42Å; S299-L310 WeakPolarHBondContact OG-CA 3.21Å; S299-L310 WeakPolarHBondContact OG-CB 3.34Å
300M91.2Very high85.7Confident21 Ų2142.6 Ų42.610%0.10324%0.244CC..THydrogen-bonded Turntrans-97.417.4176.7-67.6179.7-72.700112.8L296 H297 D298 L310 Y329 L337 A340 V341 D344L296-M300 WeakPolarHBondContact O-CE 3.45Å; L296-M300 PolarHBondContact O-N 3.41Å; H297-M300 PolarHBondContact O-N 3.42Å; D298-M300 VanDerWaalsContact C-N 3.26Å; M300-L310 HydrophobicContact CG-CD1 4Å; M300-L310 HydrophobicContact CG-CD2 3.99Å; M300-L310 HydrophobicContact SD-CD1 4.38Å; M300-Y329 HydrophobicContact CE-CE2 3.69Å; M300-Y329 WeakPolarHBondContact CE-OH 3.36Å; M300-L337 HydrophobicContact CE-CD1 3.89Å; M300-A340 HydrophobicContact CE-CB 3.71Å; M300-A340 HydrophobicContact SD-CB 3.81Å; M300-V341 HydrophobicContact SD-CB 4.5Å; M300-V341 HydrophobicContact SD-CG2 3.8Å; M300-D344 WeakPolarHBondContact CA-OD2 3.29Å; M300-D344 HydrophobicContact CB-CB 4.08Å; M300-D344 HydrophobicContact CG-CB 4.24Å; M300-D344 VanDerWaalsContact O-OD1 3.07Å
301A74.9Confident85.6Confident59 Ų5941.3 Ų41.349%0.48824%0.235SC..SBendtrans-11873.6-177.600000111.8K306A301-K306 WeakPolarHBondContact O-CD 3.5Å; A301-K306 VanDerWaalsContact O-CE 3.24Å; A301-K306 WeakPolarHBondContact O-CE 3.43Å; A301-K306 PolarHBondContact O-NZ 2.86Å
302G63.1Low85.5Confident42 Ų4241.4 Ų41.443%0.43324%0.235SC..SBendtrans122.8155169.900000114.5K306G302-K306 WeakPolarHBondContact O-CB 3.45Å
303L56.6Low85.5Confident174 Ų17441.4 Ų41.491%0.91124%0.235SC*.SBendtrans-76.1143.6-170.4-60.3169.4000112.8
304G60.6Low85.5Confident38 Ų3841.4 Ų41.439%0.39224%0.235SC..SBendtrans111-108.8160.600000114.9K306 D307G304-K306 PolarHBondContact O-N 3.27Å; G304-D307 PolarHBondContact N-OD1 2.87Å; G304-D307 WeakPolarHBondContact O-CB 3.42Å; G304-D307 PolarHBondContact O-N 3.47Å; G304-D307 VanDerWaalsContact O-N 3.17Å
305T56.7Low85.5Confident98 Ų9838.6 Ų38.660%0.60122%0.222SC*.Hα-helixtrans-64.3-21.7-176.450.70000112.9Y308 A309T305-Y308 PolarHBondContact O-N 3.18Å; T305-A309 PolarHBondContact O-N 3.35Å
306K70.3Confident85.6Confident75 Ų7537.3 Ų37.333%0.32622%0.218SC..Hα-helixtrans-69.5-32176.6-63.1-169.3174.4-159.20112.4S299 A301 G302 G304 Y308 A309 L310S299-K306 WeakPolarHBondContact O-CB 3.42Å; A301-K306 WeakPolarHBondContact O-CD 3.5Å; A301-K306 VanDerWaalsContact O-CE 3.24Å; A301-K306 WeakPolarHBondContact O-CE 3.43Å; A301-K306 PolarHBondContact O-NZ 2.86Å; G302-K306 WeakPolarHBondContact O-CB 3.45Å; G304-K306 PolarHBondContact O-N 3.27Å; K306-Y308 PolarHBondContact O-N 3.42Å; K306-A309 WeakPolarHBondContact O-CA 3.27Å; K306-A309 WeakPolarHBondContact O-CB 3.1Å; K306-A309 PolarHBondContact O-N 3.04Å; K306-L310 PolarHBondContact O-N 3.01Å
307D75.5Confident85.7Confident31 Ų3137.3 Ų37.317%0.16622%0.218CC..Hα-helixtrans-56.9-40.2173.5-52.70.9000111.6G304 M311 Y349G304-D307 PolarHBondContact N-OD1 2.87Å; G304-D307 WeakPolarHBondContact O-CB 3.42Å; G304-D307 PolarHBondContact O-N 3.47Å; G304-D307 VanDerWaalsContact O-N 3.17Å; D307-M311 HydrophobicContact CB-CE 4.14Å; D307-M311 WeakPolarHBondContact O-CE 3.38Å; D307-M311 WeakPolarHBondContact O-CG 3.49Å; D307-M311 PolarHBondContact O-N 3.48Å; D307-M311 VanDerWaalsContact O-N 3.09Å; D307-Y349 PolarHBondContact O-OH 3Å
308Y90.4Very high85.8Confident82 Ų8233.9 Ų33.932%0.32220%0.202SC..Hα-helixtrans-69.5-35.6176.9-86.6-83.4000112.2Q102 T305 K306 M311 R312Q102-Y308 HydrophobicContact CG-CD1 4.29Å; Q102-Y308 HydrophobicContact CG-CE1 3.99Å; T305-Y308 PolarHBondContact O-N 3.18Å; K306-Y308 PolarHBondContact O-N 3.42Å; Y308-M311 HydrophobicContact CD1-SD 4.27Å; Y308-M311 HydrophobicContact CE1-SD 4.48Å; Y308-R312 WeakPolarHBondContact O-CB 3.37Å; Y308-R312 PolarHBondContact O-N 3.17Å; Y308-R312 PolarHBondContact O-NH1 3.12Å
309A93.8Very high86Confident5 Ų532.4 Ų32.44%0.04119%0.193CC..Hα-helixtrans-65.5-47.4174.900000111.2T305 K306 M311 R312 L313T305-A309 PolarHBondContact O-N 3.35Å; K306-A309 WeakPolarHBondContact O-CA 3.27Å; K306-A309 WeakPolarHBondContact O-CB 3.1Å; K306-A309 PolarHBondContact O-N 3.04Å; A309-M311 PolarHBondContact O-N 3.3Å; A309-R312 PolarHBondContact O-N 3.22Å; A309-L313 WeakPolarHBondContact O-CB 3.46Å; A309-L313 VanDerWaalsContact O-CG 3.31Å; A309-L313 WeakPolarHBondContact O-CG 3.42Å; A309-L313 PolarHBondContact O-N 3.4Å
310L95.9Very high86.3Confident1 Ų132.7 Ų32.71%0.00519%0.194CC..Hα-helixtrans-56.7-54177.8179.259.5000111.5L296 S299 M300 K306 R312 L313 L314 V341 T345 L353L296-L310 HydrophobicContact CD2-CD1 3.8Å; S299-L310 WeakPolarHBondContact OG-CA 3.21Å; S299-L310 WeakPolarHBondContact OG-CB 3.34Å; M300-L310 HydrophobicContact CG-CD1 4Å; M300-L310 HydrophobicContact CG-CD2 3.99Å; M300-L310 HydrophobicContact SD-CD1 4.38Å; K306-L310 PolarHBondContact O-N 3.01Å; L310-R312 PolarHBondContact O-N 3.13Å; L310-L313 PolarHBondContact O-N 3.15Å; L310-L314 HydrophobicContact CD1-CD1 3.95Å; L310-L314 HydrophobicContact CD1-CG 4.31Å; L310-L314 HydrophobicContact CG-CD1 4.21Å; L310-L314 WeakPolarHBondContact O-CB 3.48Å; L310-L314 WeakPolarHBondContact O-CG 3.46Å; L310-L314 PolarHBondContact O-N 2.96Å; L310-V341 HydrophobicContact CD1-CG2 4.16Å; L310-T345 HydrophobicContact CD2-CG2 3.83Å; L310-L353 HydrophobicContact CD2-CD1 3.78Å; L310-L353 HydrophobicContact CG-CD1 4.06Å
311M96.5Very high86.6Confident1 Ų131.7 Ų31.71%0.00519%0.189CC..Hα-helixtrans-68.5-36.6-178.674.2-176.979.200112.4V99 Q102 D307 Y308 A309 I315 Y349 L353V99-M311 HydrophobicContact CB-SD 4.21Å; V99-M311 HydrophobicContact CG2-CB 4.31Å; V99-M311 HydrophobicContact CG2-SD 4.37Å; Q102-M311 HydrophobicContact CB-SD 4.33Å; Q102-M311 HydrophobicContact CG-CG 4.3Å; Q102-M311 HydrophobicContact CG-SD 3.57Å; Q102-M311 VanDerWaalsContact CG-SD 3.57Å; D307-M311 HydrophobicContact CB-CE 4.14Å; D307-M311 WeakPolarHBondContact O-CE 3.38Å; D307-M311 WeakPolarHBondContact O-CG 3.49Å; D307-M311 PolarHBondContact O-N 3.48Å; D307-M311 VanDerWaalsContact O-N 3.09Å; Y308-M311 HydrophobicContact CD1-SD 4.27Å; Y308-M311 HydrophobicContact CE1-SD 4.48Å; A309-M311 PolarHBondContact O-N 3.3Å; M311-I315 HydrophobicContact CB-CD1 4.46Å; M311-I315 VanDerWaalsContact O-CB 3.25Å; M311-I315 WeakPolarHBondContact O-CB 3.37Å; M311-I315 WeakPolarHBondContact O-CD1 3.4Å; M311-I315 WeakPolarHBondContact O-CG1 3.35Å; M311-I315 PolarHBondContact O-N 3.01Å; M311-Y349 HydrophobicContact CB-CE2 4.23Å; M311-Y349 HydrophobicContact CE-CE2 3.64Å; M311-Y349 HydrophobicContact SD-CE2 4.47Å; M311-L353 HydrophobicContact CB-CD2 3.93Å
312R97.8Very high87.8Confident6 Ų628.9 Ų28.92%0.02317%0.166CC..Hα-helixtrans-64.4-44.5177.8178.2173.263.7-104.8-6.1111.5M110 L111 E131 Y308 A309 L310 T316M110-R312 HydrophobicContact CE-CG 4.04Å; M110-R312 HydrophobicContact SD-CB 4.37Å; M110-R312 HydrophobicContact SD-CG 3.85Å; L111-R312 HydrophobicContact CD2-CG 3.91Å; E131-R312 IonicContact OE1-CZ 3.22Å; E131-R312 VanDerWaalsContact OE1-CZ 3.23Å; E131-R312 IonicContact OE1-NE 3.59Å; E131-R312 PolarHBondContact OE1-NE 3.29Å; E131-R312 IonicContact OE1-NH2 2.75Å; E131-R312 PolarHBondContact OE1-NH2 3.37Å; E131-R312 IonicContact OE2-CZ 2.7Å; E131-R312 IonicContact OE2-NH2 2.83Å; E131-R312 PolarHBondContact OE2-NH2 2.9Å; Y308-R312 WeakPolarHBondContact O-CB 3.37Å; Y308-R312 PolarHBondContact O-N 3.17Å; Y308-R312 PolarHBondContact O-NH1 3.12Å; A309-R312 PolarHBondContact O-N 3.22Å; L310-R312 PolarHBondContact O-N 3.13Å; R312-T316 HydrophobicContact CG-CG2 4.5Å; R312-T316 WeakPolarHBondContact O-CB 3.33Å; R312-T316 WeakPolarHBondContact O-CG2 3.44Å; R312-T316 PolarHBondContact O-N 3.38Å; R312-T316 PolarHBondContact O-OG1 3.01Å
313L98.2Very high89.5Confident1 Ų129.8 Ų29.81%0.00516%0.159CC..Hα-helixtrans-63.1-51.1176.4-72.6171.9000110.6E131 I292 W295 L296 A309 L310 I315 T316 R317E131-L313 HydrophobicContact CG-CD2 3.79Å; E131-L313 HydrophobicContact CG-CG 4.49Å; I292-L313 HydrophobicContact CG2-CD2 4.26Å; W295-L313 HydrophobicContact CB-CD1 3.82Å; W295-L313 HydrophobicContact CE3-CD2 4.11Å; L296-L313 HydrophobicContact CD2-CB 3.71Å; L296-L313 HydrophobicContact CD2-CD1 4.14Å; L296-L313 HydrophobicContact CG-CB 4.3Å; L296-L313 HydrophobicContact CG-CD1 4.18Å; A309-L313 WeakPolarHBondContact O-CB 3.46Å; A309-L313 VanDerWaalsContact O-CG 3.31Å; A309-L313 WeakPolarHBondContact O-CG 3.42Å; A309-L313 PolarHBondContact O-N 3.4Å; L310-L313 PolarHBondContact O-N 3.15Å; L313-I315 PolarHBondContact O-N 3.11Å; L313-T316 PolarHBondContact O-N 3.02Å; L313-T316 PolarHBondContact O-OG1 3Å; L313-R317 WeakPolarHBondContact O-CB 3.43Å; L313-R317 WeakPolarHBondContact O-CG 3.09Å; L313-R317 PolarHBondContact O-N 3.43Å
314L98.4Very high91.5Very high0 Ų022.5 Ų22.50%012%0.121CC..Hα-helixtrans-59.2-46.3178.3-70.9176.7000112.3L296 L310 S318 L322 L337 V341 L353 L356 M357L296-L314 HydrophobicContact CD2-CD2 4.04Å; L296-L314 HydrophobicContact CD2-CG 4.04Å; L310-L314 HydrophobicContact CD1-CD1 3.95Å; L310-L314 HydrophobicContact CD1-CG 4.31Å; L310-L314 HydrophobicContact CG-CD1 4.21Å; L310-L314 WeakPolarHBondContact O-CB 3.48Å; L310-L314 WeakPolarHBondContact O-CG 3.46Å; L310-L314 PolarHBondContact O-N 2.96Å; L314-S318 WeakPolarHBondContact O-CB 3.32Å; L314-S318 PolarHBondContact O-N 3.38Å; L314-S318 PolarHBondContact O-OG 3.16Å; L314-L322 HydrophobicContact CD2-CD1 3.83Å; L314-L322 HydrophobicContact CD2-CD2 4.02Å; L314-L337 HydrophobicContact CD2-CD2 4.14Å; L314-V341 HydrophobicContact CD1-CG2 4.35Å; L314-L353 HydrophobicContact CD1-CB 3.83Å; L314-L353 HydrophobicContact CD1-CD1 4.02Å; L314-L353 HydrophobicContact CD1-CD2 3.95Å; L314-L353 HydrophobicContact CD1-CG 4.14Å; L314-L356 HydrophobicContact CB-CD1 4.15Å; L314-M357 HydrophobicContact CD1-CE 4.37Å; L314-M357 HydrophobicContact CD2-CG 3.83Å; L314-M357 HydrophobicContact CD2-SD 3.87Å
315I98.5Very high93.3Very high1 Ų120.7 Ų20.71%0.00510%0.102CC..Hα-helixtrans-60.9-53178.7-69.2168.2000110.3V99 Q102 L103 M311 L313 R317 S318 L356V99-I315 HydrophobicContact CG2-CD1 4.43Å; Q102-I315 HydrophobicContact CB-CD1 3.76Å; L103-I315 HydrophobicContact CD1-CD1 4.09Å; L103-I315 HydrophobicContact CD1-CG1 3.87Å; L103-I315 HydrophobicContact CD1-CG2 4.11Å; M311-I315 HydrophobicContact CB-CD1 4.46Å; M311-I315 VanDerWaalsContact O-CB 3.25Å; M311-I315 WeakPolarHBondContact O-CB 3.37Å; M311-I315 WeakPolarHBondContact O-CD1 3.4Å; M311-I315 WeakPolarHBondContact O-CG1 3.35Å; M311-I315 PolarHBondContact O-N 3.01Å; L313-I315 PolarHBondContact O-N 3.11Å; I315-R317 PolarHBondContact O-N 3.47Å; I315-S318 PolarHBondContact O-OG 2.92Å; I315-L356 HydrophobicContact CG1-CD1 3.6Å
316T98.6Very high95.3Very high5 Ų517.3 Ų17.33%0.0318%0.08CC..Hα-helixtrans-72.1-32.1-173.858.80000114T107 M110 L111 R312 L313T107-T316 HydrophobicContact CG2-CG2 4.23Å; M110-T316 HydrophobicContact CE-CG2 3.59Å; L111-T316 HydrophobicContact CD2-CG2 4.08Å; R312-T316 HydrophobicContact CG-CG2 4.5Å; R312-T316 WeakPolarHBondContact O-CB 3.33Å; R312-T316 WeakPolarHBondContact O-CG2 3.44Å; R312-T316 PolarHBondContact O-N 3.38Å; R312-T316 PolarHBondContact O-OG1 3.01Å; L313-T316 PolarHBondContact O-N 3.02Å; L313-T316 PolarHBondContact O-OG1 3Å
317R98.8Very high96.7Very high1 Ų116.9 Ų16.90%0.0048%0.081CC..Hα-helixtrans-83.2-24.2-179.7-62.8-58.5113.5-176.1-2.8113.3T135 Y284 I292 L313 I315 E319 I320 D321 L322 I325T135-R317 VanDerWaalsContact CB-NH2 3.31Å; Y284-R317 PolarHBondContact OH-NH1 3.27Å; Y284-R317 VanDerWaalsContact OH-NH1 3.1Å; I292-R317 HydrophobicContact CG2-CG 4.14Å; L313-R317 WeakPolarHBondContact O-CB 3.43Å; L313-R317 WeakPolarHBondContact O-CG 3.09Å; L313-R317 PolarHBondContact O-N 3.43Å; I315-R317 PolarHBondContact O-N 3.47Å; R317-E319 PolarHBondContact O-N 2.82Å; R317-I320 PolarHBondContact O-N 2.83Å; R317-D321 WeakPolarHBondContact CD-OD1 3.33Å; R317-D321 IonicContact NH1-OD1 3.91Å; R317-D321 IonicContact NH1-OD2 2.68Å; R317-D321 PolarHBondContact O-N 2.83Å; R317-D321 VanDerWaalsContact O-N 3.1Å; R317-L322 HydrophobicContact CB-CB 4.04Å; R317-L322 HydrophobicContact CB-CD1 4.28Å; R317-L322 WeakPolarHBondContact O-CB 3.31Å; R317-L322 PolarHBondContact O-N 3.45Å; R317-L322 VanDerWaalsContact O-N 3.08Å; R317-I325 HydrophobicContact CB-CD1 3.95Å; R317-I325 HydrophobicContact CG-CD1 3.84Å
318S98.7Very high97.8Very high0 Ų016.1 Ų16.10%08%0.079CC..THydrogen-bonded Turntrans-52.8-27.4179.865.70000113.1P26 T27 I28 L314 I315P26-S318 CarbonylContact C-O 3.59Å; P26-S318 VanDerWaalsContact CB-O 3.24Å; P26-S318 WeakPolarHBondContact CB-O 3.29Å; T27-S318 PolarHBondContact N-O 2.74Å; T27-S318 WeakPolarHBondContact OG1-CA 3.06Å; T27-S318 WeakPolarHBondContact OG1-CB 3.18Å; T27-S318 PolarHBondContact OG1-O 3.2Å; I28-S318 PolarHBondContact N-O 3.2Å; L314-S318 WeakPolarHBondContact O-CB 3.32Å; L314-S318 PolarHBondContact O-N 3.38Å; L314-S318 PolarHBondContact O-OG 3.16Å; I315-S318 PolarHBondContact O-OG 2.92Å
319E98.3Very high98.2Very high37 Ų3712.5 Ų12.517%0.1737%0.065CC..THydrogen-bonded Turntrans-101.34.8-176.5-34.9-173-114.800113.5T65 N66 R69 R317T65-E319 VanDerWaalsContact C-OE2 3.26Å; T65-E319 WeakPolarHBondContact CA-OE2 3.46Å; T65-E319 WeakPolarHBondContact CB-OE2 3.44Å; N66-E319 WeakPolarHBondContact CB-OE1 3.36Å; N66-E319 PolarHBondContact N-OE1 3.31Å; N66-E319 PolarHBondContact N-OE2 2.97Å; R69-E319 IonicContact NH2-OE1 2.77Å; R317-E319 PolarHBondContact O-N 2.82Å
320I98.7Very high98.4Very high8 Ų817.3 Ų17.34%0.0419%0.087CC..THydrogen-bonded Turntrans-127.6-71.5-176.9-53.8172000111.4R11 H15 R25 P26 R317R11-I320 HydrophobicContact CB-CD1 4.15Å; R11-I320 HydrophobicContact CB-CG1 4.15Å; R11-I320 HydrophobicContact CG-CD1 3.91Å; R11-I320 HydrophobicContact CG-CG1 3.99Å; H15-I320 HydrophobicContact CB-CG2 4Å; R25-I320 CarbonylContact C-O 3.57Å; P26-I320 WeakPolarHBondContact CD-O 3.31Å; R317-I320 PolarHBondContact O-N 2.83Å
321D98.7Very high98.5Very high1 Ų122.3 Ų22.31%0.00512%0.122CC..THydrogen-bonded Turntrans-145.110.3-160.650.714.2000113.5Y24 R25 R288 R317 Q323 D324 I325Y24-D321 HydrophobicContact CD1-CB 3.81Å; Y24-D321 HydrophobicContact CD2-CB 4.42Å; Y24-D321 HydrophobicContact CG-CB 3.72Å; R25-D321 CarbonylContact O-C 3.3Å; R25-D321 VanDerWaalsContact O-C 3.3Å; R25-D321 WeakPolarHBondContact O-CA 3.4Å; R288-D321 WeakPolarHBondContact CD-OD2 3.43Å; R288-D321 IonicContact NH1-OD2 3.68Å; R288-D321 PolarHBondContact NH1-OD2 3.41Å; R317-D321 WeakPolarHBondContact CD-OD1 3.33Å; R317-D321 IonicContact NH1-OD1 3.91Å; R317-D321 IonicContact NH1-OD2 2.68Å; R317-D321 PolarHBondContact O-N 2.83Å; R317-D321 VanDerWaalsContact O-N 3.1Å; D321-Q323 PolarHBondContact O-N 2.79Å; D321-Q323 VanDerWaalsContact O-N 3.14Å; D321-D324 PolarHBondContact O-N 2.97Å; D321-I325 HydrophobicContact CB-CD1 4.43Å; D321-I325 WeakPolarHBondContact O-CG1 3.48Å; D321-I325 PolarHBondContact O-N 3.07Å; D321-I325 VanDerWaalsContact O-N 3.09Å; D321-I325 WeakPolarHBondContact OD1-CD1 3.33Å
322L98.8Very high98.6Very high0 Ų025.7 Ų25.70%014%0.139CC..Hα-helixtrans-57.7-32-173.8-175.957.7000114.1R25 T27 L314 R317 I325 M326 L337 M357R25-L322 PolarHBondContact O-N 3.47Å; T27-L322 HydrophobicContact CG2-CB 3.97Å; T27-L322 HydrophobicContact CG2-CD2 4.08Å; T27-L322 HydrophobicContact CG2-CG 3.95Å; L314-L322 HydrophobicContact CD2-CD1 3.83Å; L314-L322 HydrophobicContact CD2-CD2 4.02Å; R317-L322 HydrophobicContact CB-CB 4.04Å; R317-L322 HydrophobicContact CB-CD1 4.28Å; R317-L322 WeakPolarHBondContact O-CB 3.31Å; R317-L322 PolarHBondContact O-N 3.45Å; R317-L322 VanDerWaalsContact O-N 3.08Å; L322-I325 HydrophobicContact CD1-CB 4.45Å; L322-I325 HydrophobicContact CD1-CG2 4.5Å; L322-I325 PolarHBondContact O-N 3.33Å; L322-M326 HydrophobicContact CD1-CG 4.37Å; L322-M326 HydrophobicContact CG-CG 4.38Å; L322-M326 HydrophobicContact CG-SD 4.14Å; L322-M326 WeakPolarHBondContact O-CB 3.49Å; L322-M326 WeakPolarHBondContact O-CG 3.41Å; L322-M326 PolarHBondContact O-N 2.64Å; L322-L337 HydrophobicContact CD1-CD2 4.26Å; L322-M357 HydrophobicContact CD2-CG 3.99Å
323Q98.8Very high98.6Very high60 Ų6029 Ų2928%0.2815%0.152SC..Hα-helixtrans-68.8-39.4177.6-175.864.258.900111.6R25 T27 D321 I325 M326 D327R25-Q323 HydrophobicContact CB-CB 3.78Å; R25-Q323 HydrophobicContact CB-CG 4.27Å; R25-Q323 VanDerWaalsContact O-CB 3.23Å; R25-Q323 WeakPolarHBondContact O-CB 3.43Å; R25-Q323 PolarHBondContact O-N 2.83Å; T27-Q323 HydrophobicContact CG2-CB 4.3Å; D321-Q323 PolarHBondContact O-N 2.79Å; D321-Q323 VanDerWaalsContact O-N 3.14Å; Q323-I325 VanDerWaalsContact C-N 3.3Å; Q323-M326 PolarHBondContact O-N 2.87Å; Q323-D327 PolarHBondContact NE2-OD1 3.4Å; Q323-D327 VanDerWaalsContact O-CG 3.29Å; Q323-D327 PolarHBondContact O-N 2.88Å; Q323-D327 VanDerWaalsContact O-N 3.11Å; Q323-D327 VanDerWaalsContact O-OD1 3.13Å
324D98.9Very high98.6Very high21 Ų2132.3 Ų32.311%0.11219%0.187CC..Hα-helixtrans-66.9-35.9174.7-62.4-65.6000111.4Y24 R25 P289 D321 D327 A328Y24-D324 WeakPolarHBondContact CA-OD2 3.38Å; Y24-D324 HydrophobicContact CD1-CB 4.16Å; Y24-D324 WeakPolarHBondContact CD1-OD2 3.5Å; R25-D324 WeakPolarHBondContact CB-OD2 3.24Å; R25-D324 IonicContact CZ-OD1 3.47Å; R25-D324 PolarHBondContact N-OD2 3.42Å; R25-D324 IonicContact NE-OD1 3.93Å; R25-D324 PolarHBondContact NE-OD1 2.99Å; R25-D324 IonicContact NE-OD2 3.63Å; R25-D324 IonicContact NH2-OD1 3.47Å; R25-D324 PolarHBondContact NH2-OD1 3.12Å; P289-D324 HydrophobicContact CB-CB 4.46Å; P289-D324 HydrophobicContact CG-CB 4.14Å; D321-D324 PolarHBondContact O-N 2.97Å; D324-D327 PolarHBondContact O-N 3.22Å; D324-A328 WeakPolarHBondContact O-CB 3.39Å; D324-A328 PolarHBondContact O-N 3.27Å
325I98.9Very high98.6Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-64.9-40.7174.4-65.6161.5000111.2I292 A293 L296 R317 D321 L322 Q323 A328 Y329I292-I325 HydrophobicContact CB-CD1 3.83Å; I292-I325 HydrophobicContact CB-CG1 4.09Å; I292-I325 HydrophobicContact CB-CG2 4.32Å; I292-I325 HydrophobicContact CD1-CD1 4.03Å; I292-I325 HydrophobicContact CG1-CD1 4.49Å; I292-I325 HydrophobicContact CG2-CD1 3.66Å; I292-I325 HydrophobicContact CG2-CG1 4.33Å; I292-I325 HydrophobicContact CG2-CG2 4.21Å; A293-I325 HydrophobicContact CB-CG2 4.26Å; L296-I325 HydrophobicContact CD1-CG2 3.53Å; R317-I325 HydrophobicContact CB-CD1 3.95Å; R317-I325 HydrophobicContact CG-CD1 3.84Å; D321-I325 HydrophobicContact CB-CD1 4.43Å; D321-I325 WeakPolarHBondContact O-CG1 3.48Å; D321-I325 PolarHBondContact O-N 3.07Å; D321-I325 VanDerWaalsContact O-N 3.09Å; D321-I325 WeakPolarHBondContact OD1-CD1 3.33Å; L322-I325 HydrophobicContact CD1-CB 4.45Å; L322-I325 HydrophobicContact CD1-CG2 4.5Å; L322-I325 PolarHBondContact O-N 3.33Å; Q323-I325 VanDerWaalsContact C-N 3.3Å; I325-A328 PolarHBondContact O-N 2.88Å; I325-Y329 WeakPolarHBondContact O-CB 3.39Å; I325-Y329 PolarHBondContact O-N 3.28Å
326M98.8Very high98.6Very high27 Ų2737.1 Ų37.113%0.13321%0.211CC..Hα-helixtrans-61.3-45176-75.5166.464.800111.5T27 L322 Q323 Y329 E330 L337 M357T27-M326 HydrophobicContact CG2-SD 3.86Å; L322-M326 HydrophobicContact CD1-CG 4.37Å; L322-M326 HydrophobicContact CG-CG 4.38Å; L322-M326 HydrophobicContact CG-SD 4.14Å; L322-M326 WeakPolarHBondContact O-CB 3.49Å; L322-M326 WeakPolarHBondContact O-CG 3.41Å; L322-M326 PolarHBondContact O-N 2.64Å; Q323-M326 PolarHBondContact O-N 2.87Å; M326-Y329 PolarHBondContact O-N 3.48Å; M326-E330 PolarHBondContact O-N 3.37Å; M326-E330 VanDerWaalsContact O-N 3.13Å; M326-L337 HydrophobicContact CG-CB 4.3Å; M326-L337 HydrophobicContact CG-CD2 3.78Å; M326-M357 HydrophobicContact CE-CB 4.07Å; M326-M357 HydrophobicContact SD-CB 3.92Å; M326-M357 HydrophobicContact SD-CG 4.05Å
327D98.8Very high98.6Very high67 Ų6737 Ų3736%0.35821%0.21SC..Hα-helixtrans-64.4-41.9177.9-63.95.7000110.8R25 Q323 D324 S331R25-D327 IonicContact CZ-OD2 2.71Å; R25-D327 VanDerWaalsContact CZ-OD2 3.31Å; R25-D327 IonicContact NH1-OD2 2.85Å; R25-D327 PolarHBondContact NH1-OD2 3.5Å; R25-D327 VanDerWaalsContact NH1-OD2 3.1Å; R25-D327 IonicContact NH2-OD2 3.33Å; R25-D327 PolarHBondContact NH2-OD2 2.89Å; Q323-D327 PolarHBondContact NE2-OD1 3.4Å; Q323-D327 VanDerWaalsContact O-CG 3.29Å; Q323-D327 PolarHBondContact O-N 2.88Å; Q323-D327 VanDerWaalsContact O-N 3.11Å; Q323-D327 VanDerWaalsContact O-OD1 3.13Å; D324-D327 PolarHBondContact O-N 3.22Å; D327-S331 PolarHBondContact O-N 2.83Å; D327-S331 VanDerWaalsContact O-N 3.15Å
328A98.8Very high98.5Very high15 Ų1538.4 Ų38.412%0.12422%0.218CC..Hα-helixtrans-65.4-40.5175.300000112.6P289 A293 D324 I325 E330 S331 I332P289-A328 HydrophobicContact CB-CB 3.56Å; A293-A328 HydrophobicContact CB-CB 4.45Å; D324-A328 WeakPolarHBondContact O-CB 3.39Å; D324-A328 PolarHBondContact O-N 3.27Å; I325-A328 PolarHBondContact O-N 2.88Å; A328-E330 PolarHBondContact O-N 3.36Å; A328-S331 WeakPolarHBondContact O-CB 3.31Å; A328-S331 PolarHBondContact O-N 2.89Å; A328-I332 WeakPolarHBondContact O-CD1 3.34Å; A328-I332 VanDerWaalsContact O-CG1 3.26Å; A328-I332 WeakPolarHBondContact O-CG1 3.38Å; A328-I332 PolarHBondContact O-N 3.45Å
329Y98.8Very high98.5Very high6 Ų642 Ų422%0.02424%0.237CC..Hα-helixtrans-59.3-46.5177.3-172.7-76000111.5A293 H297 M300 I325 M326 S331 I332 Y333 K335 L337 A340A293-Y329 HydrophobicContact CB-CD2 4.06Å; A293-Y329 HydrophobicContact CB-CG 4.41Å; A293-Y329 WeakPolarHBondContact O-CD2 3.44Å; H297-Y329 HydrophobicContact CB-CE2 3.8Å; H297-Y329 AromaticContact ND1-CZ 3.94Å; H297-Y329 PolarHBondContact ND1-OH 3.06Å; H297-Y329 VanDerWaalsContact ND1-OH 3.12Å; M300-Y329 HydrophobicContact CE-CE2 3.69Å; M300-Y329 WeakPolarHBondContact CE-OH 3.36Å; I325-Y329 WeakPolarHBondContact O-CB 3.39Å; I325-Y329 PolarHBondContact O-N 3.28Å; M326-Y329 PolarHBondContact O-N 3.48Å; Y329-S331 VanDerWaalsContact C-N 3.34Å; Y329-S331 PolarHBondContact O-N 3.46Å; Y329-I332 PolarHBondContact O-N 2.92Å; Y329-Y333 HydrophobicContact CD1-CD2 4.02Å; Y329-Y333 AromaticContact CD2-CD2 3.83Å; Y329-Y333 HydrophobicContact CD2-CD2 3.83Å; Y329-Y333 HydrophobicContact CD2-CE2 4.04Å; Y329-Y333 AromaticContact CE1-CD2 3.92Å; Y329-Y333 HydrophobicContact CE1-CD2 3.92Å; Y329-Y333 HydrophobicContact CE1-CG 4.3Å; Y329-Y333 AromaticContact CE2-CD2 3.75Å; Y329-Y333 HydrophobicContact CE2-CD2 3.75Å; Y329-Y333 AromaticContact CE2-CE2 3.96Å; Y329-Y333 HydrophobicContact CE2-CE2 3.96Å; Y329-Y333 AromaticContact CG-CD2 3.95Å; Y329-Y333 HydrophobicContact CG-CD2 3.95Å; Y329-Y333 AromaticContact CZ-CD2 3.76Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.3Å; Y329-Y333 PolarHBondContact O-N 3.37Å; Y329-K335 WeakPolarHBondContact CD1-O 3.3Å; Y329-K335 VanDerWaalsContact CE1-O 3.28Å; Y329-K335 WeakPolarHBondContact CE1-O 3.35Å; Y329-L337 HydrophobicContact CD1-CB 3.79Å; Y329-L337 HydrophobicContact CD1-CD1 4.4Å; Y329-L337 HydrophobicContact CD2-CB 4.29Å; Y329-L337 HydrophobicContact CD2-CD1 3.67Å; Y329-L337 HydrophobicContact CD2-CG 4.48Å; Y329-L337 HydrophobicContact CE1-CB 4.37Å; Y329-L337 HydrophobicContact CE1-CD1 4.45Å; Y329-L337 HydrophobicContact CE2-CD1 3.69Å; Y329-L337 HydrophobicContact CG-CB 3.77Å; Y329-L337 HydrophobicContact CG-CD1 4.05Å; Y329-L337 HydrophobicContact CG-CG 4.44Å; Y329-A340 HydrophobicContact CE1-CB 3.89Å; Y329-A340 VanDerWaalsContact OH-CB 3.31Å; Y329-A340 WeakPolarHBondContact OH-CB 3.38Å
330E98.7Very high98.4Very high106 Ų10640.6 Ų40.650%0.49523%0.232SC..Hα-helixtrans-64.5-39.7178.3-174.1163.4-151.900111.9M326 A328 I332 G334M326-E330 PolarHBondContact O-N 3.37Å; M326-E330 VanDerWaalsContact O-N 3.13Å; A328-E330 PolarHBondContact O-N 3.36Å; E330-I332 PolarHBondContact O-N 3.15Å; E330-G334 WeakPolarHBondContact O-CA 3.21Å; E330-G334 PolarHBondContact O-N 3.23Å
331S98.6Very high98.3Very high106 Ų10640.2 Ų40.274%0.74123%0.23SC*.Hα-helixtrans-60.5-42.4175.1-172.10000112.8D327 A328 Y329D327-S331 PolarHBondContact O-N 2.83Å; D327-S331 VanDerWaalsContact O-N 3.15Å; A328-S331 WeakPolarHBondContact O-CB 3.31Å; A328-S331 PolarHBondContact O-N 2.89Å; Y329-S331 VanDerWaalsContact C-N 3.34Å; Y329-S331 PolarHBondContact O-N 3.46Å
332I98.4Very high98.1Very high72 Ų7242.5 Ų42.537%0.36924%0.239SC..Hα-helixtrans-77-43.6-176.6-65.7164.3000111.9A293 A328 Y329 E330A293-I332 HydrophobicContact CB-CD1 4.25Å; A328-I332 WeakPolarHBondContact O-CD1 3.34Å; A328-I332 VanDerWaalsContact O-CG1 3.26Å; A328-I332 WeakPolarHBondContact O-CG1 3.38Å; A328-I332 PolarHBondContact O-N 3.45Å; Y329-I332 PolarHBondContact O-N 2.92Å; E330-I332 PolarHBondContact O-N 3.15Å
333Y98.1Very high97.9Very high74 Ų7448.1 Ų48.129%0.2927%0.27SS..Hα-helixtrans-106.6-4-168.4-63.2-71.6000114.5E294 H297 Y329 K335E294-Y333 WeakPolarHBondContact CG-OH 3.45Å; H297-Y333 HydrophobicContact CB-CD2 4.42Å; H297-Y333 HydrophobicContact CB-CE1 4.12Å; H297-Y333 HydrophobicContact CB-CE2 3.63Å; H297-Y333 VanDerWaalsContact CB-CZ 3.46Å; H297-Y333 WeakPolarHBondContact CB-OH 3.2Å; H297-Y333 AromaticContact CD2-CE1 3.54Å; H297-Y333 AromaticContact CD2-CZ 3.73Å; H297-Y333 AromaticContact CE1-CD1 3.73Å; H297-Y333 AromaticContact CE1-CE1 3.68Å; H297-Y333 AromaticContact CG-CE1 3.47Å; H297-Y333 VanDerWaalsContact CG-CE1 3.47Å; H297-Y333 AromaticContact CG-CE2 3.86Å; H297-Y333 AromaticContact CG-CZ 3.36Å; H297-Y333 AromaticContact ND1-CD1 3.69Å; H297-Y333 AromaticContact ND1-CE1 3.57Å; H297-Y333 AromaticContact ND1-CG 4Å; H297-Y333 AromaticContact ND1-CZ 3.79Å; H297-Y333 AromaticContact NE2-CE1 3.69Å; Y329-Y333 HydrophobicContact CD1-CD2 4.02Å; Y329-Y333 AromaticContact CD2-CD2 3.83Å; Y329-Y333 HydrophobicContact CD2-CD2 3.83Å; Y329-Y333 HydrophobicContact CD2-CE2 4.04Å; Y329-Y333 AromaticContact CE1-CD2 3.92Å; Y329-Y333 HydrophobicContact CE1-CD2 3.92Å; Y329-Y333 HydrophobicContact CE1-CG 4.3Å; Y329-Y333 AromaticContact CE2-CD2 3.75Å; Y329-Y333 HydrophobicContact CE2-CD2 3.75Å; Y329-Y333 AromaticContact CE2-CE2 3.96Å; Y329-Y333 HydrophobicContact CE2-CE2 3.96Å; Y329-Y333 AromaticContact CG-CD2 3.95Å; Y329-Y333 HydrophobicContact CG-CD2 3.95Å; Y329-Y333 AromaticContact CZ-CD2 3.76Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.3Å; Y329-Y333 PolarHBondContact O-N 3.37Å; Y333-K335 PolarHBondContact O-N 2.96Å; Y333-K335 VanDerWaalsContact O-N 3.16Å
334G98.1Very high97.7Very high72 Ų7248.7 Ų48.774%0.74228%0.275SS*.SBendtrans64.716.4-179.300000114.3E330E330-G334 WeakPolarHBondContact O-CA 3.21Å; E330-G334 PolarHBondContact O-N 3.23Å
335K97.6Very high97.4Very high78 Ų7848.2 Ų48.234%0.33927%0.272SS..SBendtrans-145.4133.1-179.7-178.5-177.3-178.9-175.60108.5Y329 Y333 N339 A340 D343Y329-K335 WeakPolarHBondContact CD1-O 3.3Å; Y329-K335 VanDerWaalsContact CE1-O 3.28Å; Y329-K335 WeakPolarHBondContact CE1-O 3.35Å; Y333-K335 PolarHBondContact O-N 2.96Å; Y333-K335 VanDerWaalsContact O-N 3.16Å; K335-N339 HydrophobicContact CG-CB 4.19Å; K335-A340 HydrophobicContact CD-CB 4.46Å; K335-D343 WeakPolarHBondContact CE-OD2 3.21Å; K335-D343 IonicContact NZ-OD2 3.8Å; K335-D343 PolarHBondContact NZ-OD2 2.7Å
336S98.3Very high97.2Very high24 Ų2452.2 Ų52.217%0.16830%0.3CS..  trans-59.7143.3177.872.50000112L338 N339 A340S336-L338 PolarHBondContact O-N 2.95Å; S336-N339 PolarHBondContact O-N 3.25Å; S336-N339 VanDerWaalsContact O-N 3.1Å; S336-N339 WeakPolarHBondContact OG-CB 3.23Å; S336-N339 VanDerWaalsContact OG-CG 3.32Å; S336-N339 PolarHBondContact OG-N 3.46Å; S336-N339 PolarHBondContact OG-ND2 2.89Å; S336-A340 PolarHBondContact O-N 2.73Å
337L98.4Very high97Very high1 Ų152.6 Ų52.61%0.00531%0.311CS..Hα-helixtrans-55.5-39.4175.2176.864000111L296 M300 L314 L322 M326 Y329 N339 A340 V341 M357L296-L337 HydrophobicContact CB-CD1 4.09Å; L296-L337 HydrophobicContact CD1-CD1 4.22Å; L296-L337 HydrophobicContact CD1-CD2 3.7Å; M300-L337 HydrophobicContact CE-CD1 3.89Å; L314-L337 HydrophobicContact CD2-CD2 4.14Å; L322-L337 HydrophobicContact CD1-CD2 4.26Å; M326-L337 HydrophobicContact CG-CB 4.3Å; M326-L337 HydrophobicContact CG-CD2 3.78Å; Y329-L337 HydrophobicContact CD1-CB 3.79Å; Y329-L337 HydrophobicContact CD1-CD1 4.4Å; Y329-L337 HydrophobicContact CD2-CB 4.29Å; Y329-L337 HydrophobicContact CD2-CD1 3.67Å; Y329-L337 HydrophobicContact CD2-CG 4.48Å; Y329-L337 HydrophobicContact CE1-CB 4.37Å; Y329-L337 HydrophobicContact CE1-CD1 4.45Å; Y329-L337 HydrophobicContact CE2-CD1 3.69Å; Y329-L337 HydrophobicContact CG-CB 3.77Å; Y329-L337 HydrophobicContact CG-CD1 4.05Å; Y329-L337 HydrophobicContact CG-CG 4.44Å; L337-N339 VanDerWaalsContact C-N 3.33Å; L337-N339 PolarHBondContact O-N 2.89Å; L337-A340 PolarHBondContact O-N 2.68Å; L337-A340 VanDerWaalsContact O-N 3.17Å; L337-V341 HydrophobicContact CD1-CG2 4.11Å; L337-V341 HydrophobicContact CG-CG2 4.33Å; L337-V341 WeakPolarHBondContact O-CG2 3.34Å; L337-V341 PolarHBondContact O-N 2.81Å; L337-M357 HydrophobicContact CB-SD 4.47Å; L337-M357 HydrophobicContact CD2-SD 3.73Å; L337-M357 HydrophobicContact CG-SD 3.73Å
338L98.1Very high96.9Very high32 Ų3250.9 Ų50.917%0.16830%0.302CS..Hα-helixtrans-56.4-46.3177.3-17663.6000112.1S336 K342 C354 M357 E359S336-L338 PolarHBondContact O-N 2.95Å; L338-K342 HydrophobicContact CG-CD 4.46Å; L338-K342 WeakPolarHBondContact O-CB 3.47Å; L338-K342 VanDerWaalsContact O-CG 3.3Å; L338-K342 WeakPolarHBondContact O-CG 3.38Å; L338-K342 PolarHBondContact O-N 2.87Å; L338-C354 HydrophobicContact CD1-CB 3.88Å; L338-M357 HydrophobicContact CD1-CB 4.45Å; L338-M357 HydrophobicContact CD1-CE 3.73Å; L338-E359 HydrophobicContact CD1-CB 4.32Å; L338-E359 WeakPolarHBondContact CD1-OE2 3.45Å; L338-E359 HydrophobicContact CD2-CB 4.45Å; L338-E359 WeakPolarHBondContact CD2-OE2 3.34Å
339N97.3Very high96.7Very high75 Ų7550.8 Ų50.840%0.40130%0.298SS..Hα-helixtrans-71-35.8177.6-73.5-21.8000111.9K335 S336 L337 K342 D343K335-N339 HydrophobicContact CG-CB 4.19Å; S336-N339 PolarHBondContact O-N 3.25Å; S336-N339 VanDerWaalsContact O-N 3.1Å; S336-N339 WeakPolarHBondContact OG-CB 3.23Å; S336-N339 VanDerWaalsContact OG-CG 3.32Å; S336-N339 PolarHBondContact OG-N 3.46Å; S336-N339 PolarHBondContact OG-ND2 2.89Å; L337-N339 VanDerWaalsContact C-N 3.33Å; L337-N339 PolarHBondContact O-N 2.89Å; N339-K342 PolarHBondContact O-N 3.45Å; N339-D343 WeakPolarHBondContact O-CB 3.34Å; N339-D343 VanDerWaalsContact O-CG 3.26Å; N339-D343 PolarHBondContact O-N 3.33Å; N339-D343 VanDerWaalsContact O-N 3.07Å
340A96.9Very high96.6Very high8 Ų854.4 Ų54.47%0.06631%0.312CS..Hα-helixtrans-60.8-45.8174.200000111.6M300 Y329 K335 S336 L337 K342 D343 D344M300-A340 HydrophobicContact CE-CB 3.71Å; M300-A340 HydrophobicContact SD-CB 3.81Å; Y329-A340 HydrophobicContact CE1-CB 3.89Å; Y329-A340 VanDerWaalsContact OH-CB 3.31Å; Y329-A340 WeakPolarHBondContact OH-CB 3.38Å; K335-A340 HydrophobicContact CD-CB 4.46Å; S336-A340 PolarHBondContact O-N 2.73Å; L337-A340 PolarHBondContact O-N 2.68Å; L337-A340 VanDerWaalsContact O-N 3.17Å; A340-K342 PolarHBondContact O-N 3.35Å; A340-D343 PolarHBondContact O-N 3.48Å; A340-D344 PolarHBondContact O-N 3.45Å; A340-D344 VanDerWaalsContact O-N 3.11Å
341V96.2Very high96.5Very high0 Ų053.2 Ų53.20%030%0.303CS..Hα-helixtrans-64.2-40.1175.3172.20000111.6M300 L310 L314 L337 D343 D344 T345 L353 M357M300-V341 HydrophobicContact SD-CB 4.5Å; M300-V341 HydrophobicContact SD-CG2 3.8Å; L310-V341 HydrophobicContact CD1-CG2 4.16Å; L314-V341 HydrophobicContact CD1-CG2 4.35Å; L337-V341 HydrophobicContact CD1-CG2 4.11Å; L337-V341 HydrophobicContact CG-CG2 4.33Å; L337-V341 WeakPolarHBondContact O-CG2 3.34Å; L337-V341 PolarHBondContact O-N 2.81Å; V341-D343 VanDerWaalsContact C-N 3.25Å; V341-D343 PolarHBondContact O-N 3.37Å; V341-D344 PolarHBondContact O-N 3.4Å; V341-T345 HydrophobicContact CG1-CG2 4.41Å; V341-T345 WeakPolarHBondContact O-CB 3.41Å; V341-T345 PolarHBondContact O-N 3.33Å; V341-T345 PolarHBondContact O-OG1 2.61Å; V341-L353 HydrophobicContact CG1-CB 3.8Å; V341-L353 HydrophobicContact CG1-CD1 3.85Å; V341-M357 HydrophobicContact CB-CE 3.79Å; V341-M357 HydrophobicContact CG1-CE 3.85Å; V341-M357 HydrophobicContact CG2-CE 3.76Å; V341-M357 HydrophobicContact CG2-SD 4.32Å
342K95.7Very high96.5Very high48 Ų4848.2 Ų48.221%0.20927%0.268CS..Hα-helixtrans-62.7-32.7178-79.7175.7176.8173.40113.4L338 N339 A340 T345 R350 E359L338-K342 HydrophobicContact CG-CD 4.46Å; L338-K342 WeakPolarHBondContact O-CB 3.47Å; L338-K342 VanDerWaalsContact O-CG 3.3Å; L338-K342 WeakPolarHBondContact O-CG 3.38Å; L338-K342 PolarHBondContact O-N 2.87Å; N339-K342 PolarHBondContact O-N 3.45Å; A340-K342 PolarHBondContact O-N 3.35Å; K342-T345 VanDerWaalsContact O-O 3.08Å; K342-R350 HydrophobicContact CG-CG 4.45Å; K342-R350 WeakPolarHBondContact O-CD 3.3Å; K342-R350 PolarHBondContact O-NH1 2.81Å; K342-E359 WeakPolarHBondContact CE-OE2 3.49Å; K342-E359 IonicContact NZ-OE1 2.78Å; K342-E359 PolarHBondContact NZ-OE1 2.87Å; K342-E359 IonicContact NZ-OE2 2.66Å; K342-E359 PolarHBondContact NZ-OE2 3.02Å
343D94.4Very high96.5Very high119 Ų11944.8 Ų44.864%0.63625%0.25SS*.Hα-helixtrans-81.8-32.2-179-70.8-4.9000112.5K335 N339 A340 V341K335-D343 WeakPolarHBondContact CE-OD2 3.21Å; K335-D343 IonicContact NZ-OD2 3.8Å; K335-D343 PolarHBondContact NZ-OD2 2.7Å; N339-D343 WeakPolarHBondContact O-CB 3.34Å; N339-D343 VanDerWaalsContact O-CG 3.26Å; N339-D343 PolarHBondContact O-N 3.33Å; N339-D343 VanDerWaalsContact O-N 3.07Å; A340-D343 PolarHBondContact O-N 3.48Å; V341-D343 VanDerWaalsContact C-N 3.25Å; V341-D343 PolarHBondContact O-N 3.37Å
344D93.3Very high96.5Very high72 Ų7241.2 Ų41.239%0.38524%0.236SC..Hα-helixtrans-87.4-21.5-179.9-168.657.5000113.4M300 A340 V341M300-D344 WeakPolarHBondContact CA-OD2 3.29Å; M300-D344 HydrophobicContact CB-CB 4.08Å; M300-D344 HydrophobicContact CG-CB 4.24Å; M300-D344 VanDerWaalsContact O-OD1 3.07Å; A340-D344 PolarHBondContact O-N 3.45Å; A340-D344 VanDerWaalsContact O-N 3.11Å; V341-D344 PolarHBondContact O-N 3.4Å
345T93.6Very high96.5Very high11 Ų1137.9 Ų37.97%0.06720%0.201CC..  trans-121.5163.4-174.570.80000112.8L310 V341 K342 Y349 R350 L353L310-T345 HydrophobicContact CD2-CG2 3.83Å; V341-T345 HydrophobicContact CG1-CG2 4.41Å; V341-T345 WeakPolarHBondContact O-CB 3.41Å; V341-T345 PolarHBondContact O-N 3.33Å; V341-T345 PolarHBondContact O-OG1 2.61Å; K342-T345 VanDerWaalsContact O-O 3.08Å; T345-Y349 HydrophobicContact CG2-CD1 4.11Å; T345-Y349 HydrophobicContact CG2-CE1 3.55Å; T345-R350 WeakPolarHBondContact O-CD 3.47Å; T345-R350 PolarHBondContact O-NH1 3.16Å; T345-R350 WeakPolarHBondContact OG1-CA 2.94Å; T345-R350 WeakPolarHBondContact OG1-CB 3Å; T345-R350 WeakPolarHBondContact OG1-CG 3.35Å; T345-L353 HydrophobicContact CG2-CD1 4.06Å
346S93.8Very high96.6Very high84 Ų8434.1 Ų34.159%0.58719%0.185SC*.  trans-143.2176178.2700000113.1R350S346-R350 WeakPolarHBondContact O-CB 3.38Å; S346-R350 PolarHBondContact O-N 3.4Å
347G95Very high96.6Very high34 Ų3433.3 Ų33.335%0.35118%0.179SC..Hα-helixtrans60.5-154.3176.500000114.8Y349 R350 R351G347-Y349 VanDerWaalsContact C-N 3.27Å; G347-Y349 PolarHBondContact O-N 3.34Å; G347-R350 WeakPolarHBondContact O-CB 3.39Å; G347-R350 PolarHBondContact O-N 3.45Å; G347-R351 PolarHBondContact O-N 3.28Å
348D96.2Very high96.5Very high31 Ų3134.8 Ų34.817%0.16619%0.194CC..Hα-helixtrans-71.8-21.4177.9-68.5-61.4000113.5E54 I58 F96 R351 T352E54-D348 HydrophobicContact CB-CB 4.37Å; I58-D348 HydrophobicContact CD1-CB 4.09Å; F96-D348 HydrophobicContact CB-CB 3.9Å; F96-D348 HydrophobicContact CD1-CB 3.88Å; F96-D348 HydrophobicContact CD2-CB 3.56Å; F96-D348 HydrophobicContact CE1-CB 4.29Å; F96-D348 HydrophobicContact CE2-CB 4Å; F96-D348 HydrophobicContact CG-CB 3.5Å; F96-D348 VanDerWaalsContact CG-CB 3.5Å; F96-D348 HydrophobicContact CZ-CB 4.33Å; D348-R351 PolarHBondContact O-N 3.07Å; D348-R351 IonicContact OD1-CZ 3.7Å; D348-R351 IonicContact OD1-NH1 3.36Å; D348-R351 PolarHBondContact OD1-NH1 3.42Å; D348-R351 IonicContact OD2-NH1 2.59Å; D348-R351 PolarHBondContact OD2-NH1 3.02Å; D348-T352 WeakPolarHBondContact O-CB 3.29Å; D348-T352 PolarHBondContact O-N 3.14Å; D348-T352 PolarHBondContact O-OG1 3.03Å
349Y95.9Very high96.5Very high14 Ų1435.9 Ų35.96%0.05520%0.198CC..Hα-helixtrans-58.4-54.9167.1172.3-124.3000110.6D95 V99 D307 M311 T345 G347 R351 T352 L353D95-Y349 HydrophobicContact CB-CD1 4.21Å; D95-Y349 HydrophobicContact CB-CD2 4.47Å; D95-Y349 HydrophobicContact CB-CG 3.92Å; V99-Y349 HydrophobicContact CB-CD2 3.77Å; V99-Y349 HydrophobicContact CB-CE2 4.07Å; V99-Y349 HydrophobicContact CG1-CD2 3.85Å; V99-Y349 HydrophobicContact CG2-CD2 4.33Å; V99-Y349 HydrophobicContact CG2-CE2 4.36Å; D307-Y349 PolarHBondContact O-OH 3Å; M311-Y349 HydrophobicContact CB-CE2 4.23Å; M311-Y349 HydrophobicContact CE-CE2 3.64Å; M311-Y349 HydrophobicContact SD-CE2 4.47Å; T345-Y349 HydrophobicContact CG2-CD1 4.11Å; T345-Y349 HydrophobicContact CG2-CE1 3.55Å; G347-Y349 VanDerWaalsContact C-N 3.27Å; G347-Y349 PolarHBondContact O-N 3.34Å; Y349-R351 VanDerWaalsContact C-N 3.34Å; Y349-R351 PolarHBondContact O-N 2.78Å; Y349-T352 WeakPolarHBondContact O-CB 3.44Å; Y349-T352 PolarHBondContact O-N 3.27Å; Y349-T352 VanDerWaalsContact O-N 3.17Å; Y349-L353 HydrophobicContact CD2-CD1 4.47Å; Y349-L353 HydrophobicContact CD2-CG 4.31Å; Y349-L353 HydrophobicContact CE1-CD1 4.05Å; Y349-L353 HydrophobicContact CE2-CD1 3.83Å; Y349-L353 HydrophobicContact CE2-CD2 3.96Å; Y349-L353 HydrophobicContact CE2-CG 3.96Å; Y349-L353 WeakPolarHBondContact O-CG 3.01Å; Y349-L353 PolarHBondContact O-N 3.37Å; Y349-L353 VanDerWaalsContact O-N 3.1Å
350R95.9Very high96.1Very high81 Ų8137.8 Ų37.831%0.30621%0.207SC..Hα-helixtrans-54.1-48.6174.6175.7176.259.1-166.36.4112.3K342 T345 S346 G347 T352 L353 C354K342-R350 HydrophobicContact CG-CG 4.45Å; K342-R350 WeakPolarHBondContact O-CD 3.3Å; K342-R350 PolarHBondContact O-NH1 2.81Å; T345-R350 WeakPolarHBondContact O-CD 3.47Å; T345-R350 PolarHBondContact O-NH1 3.16Å; T345-R350 WeakPolarHBondContact OG1-CA 2.94Å; T345-R350 WeakPolarHBondContact OG1-CB 3Å; T345-R350 WeakPolarHBondContact OG1-CG 3.35Å; S346-R350 WeakPolarHBondContact O-CB 3.38Å; S346-R350 PolarHBondContact O-N 3.4Å; G347-R350 WeakPolarHBondContact O-CB 3.39Å; G347-R350 PolarHBondContact O-N 3.45Å; R350-T352 VanDerWaalsContact C-N 3.27Å; R350-T352 PolarHBondContact O-N 3.48Å; R350-L353 PolarHBondContact O-N 3.01Å; R350-L353 VanDerWaalsContact O-N 3.16Å; R350-C354 PolarHBondContact O-N 3.12Å; R350-C354 PolarHBondContact O-SG 3.29Å
351R97.4Very high95.7Very high82 Ų8240 Ų4031%0.30922%0.215SC..Hα-helixtrans-58.9-42.7-178.8-67.4-177.7-170.6112.2-0.9110.9I58 G347 D348 Y349 L353 C354 V355I58-R351 HydrophobicContact CD1-CB 3.94Å; G347-R351 PolarHBondContact O-N 3.28Å; D348-R351 PolarHBondContact O-N 3.07Å; D348-R351 IonicContact OD1-CZ 3.7Å; D348-R351 IonicContact OD1-NH1 3.36Å; D348-R351 PolarHBondContact OD1-NH1 3.42Å; D348-R351 IonicContact OD2-NH1 2.59Å; D348-R351 PolarHBondContact OD2-NH1 3.02Å; Y349-R351 VanDerWaalsContact C-N 3.34Å; Y349-R351 PolarHBondContact O-N 2.78Å; R351-L353 PolarHBondContact O-N 3.44Å; R351-C354 PolarHBondContact O-N 3.47Å; R351-V355 WeakPolarHBondContact O-CB 3.28Å; R351-V355 VanDerWaalsContact O-CG2 3.23Å; R351-V355 WeakPolarHBondContact O-CG2 3.4Å; R351-V355 PolarHBondContact O-N 3Å
352T98Very high95Very high0 Ų046.5 Ų46.50%025%0.249CC..Hα-helixtrans-57.1-49.2175.3-53.30000111.3I58 A62 V99 L103 D348 Y349 R350 C354 V355 L356I58-T352 WeakPolarHBondContact CG1-OG1 3.42Å; A62-T352 HydrophobicContact CB-CG2 4.16Å; V99-T352 HydrophobicContact CG1-CG2 3.94Å; V99-T352 HydrophobicContact CG2-CG2 3.77Å; L103-T352 HydrophobicContact CD2-CG2 4.27Å; D348-T352 WeakPolarHBondContact O-CB 3.29Å; D348-T352 PolarHBondContact O-N 3.14Å; D348-T352 PolarHBondContact O-OG1 3.03Å; Y349-T352 WeakPolarHBondContact O-CB 3.44Å; Y349-T352 PolarHBondContact O-N 3.27Å; Y349-T352 VanDerWaalsContact O-N 3.17Å; R350-T352 VanDerWaalsContact C-N 3.27Å; R350-T352 PolarHBondContact O-N 3.48Å; T352-C354 PolarHBondContact O-N 3.41Å; T352-V355 PolarHBondContact O-N 2.85Å; T352-L356 WeakPolarHBondContact O-CG 3.27Å; T352-L356 PolarHBondContact O-N 3.26Å
353L97.8Very high93.6Very high0 Ų048.4 Ų48.40%026%0.259CS..Hα-helixtrans-63.9-39.9179-59.7-170000112.7V99 L310 M311 L314 V341 T345 Y349 R350 R351 V355 L356 M357V99-L353 HydrophobicContact CG2-CD2 4.17Å; L310-L353 HydrophobicContact CD2-CD1 3.78Å; L310-L353 HydrophobicContact CG-CD1 4.06Å; M311-L353 HydrophobicContact CB-CD2 3.93Å; L314-L353 HydrophobicContact CD1-CB 3.83Å; L314-L353 HydrophobicContact CD1-CD1 4.02Å; L314-L353 HydrophobicContact CD1-CD2 3.95Å; L314-L353 HydrophobicContact CD1-CG 4.14Å; V341-L353 HydrophobicContact CG1-CB 3.8Å; V341-L353 HydrophobicContact CG1-CD1 3.85Å; T345-L353 HydrophobicContact CG2-CD1 4.06Å; Y349-L353 HydrophobicContact CD2-CD1 4.47Å; Y349-L353 HydrophobicContact CD2-CG 4.31Å; Y349-L353 HydrophobicContact CE1-CD1 4.05Å; Y349-L353 HydrophobicContact CE2-CD1 3.83Å; Y349-L353 HydrophobicContact CE2-CD2 3.96Å; Y349-L353 HydrophobicContact CE2-CG 3.96Å; Y349-L353 WeakPolarHBondContact O-CG 3.01Å; Y349-L353 PolarHBondContact O-N 3.37Å; Y349-L353 VanDerWaalsContact O-N 3.1Å; R350-L353 PolarHBondContact O-N 3.01Å; R350-L353 VanDerWaalsContact O-N 3.16Å; R351-L353 PolarHBondContact O-N 3.44Å; L353-V355 VanDerWaalsContact C-N 3.33Å; L353-V355 PolarHBondContact O-N 2.69Å; L353-L356 HydrophobicContact CD2-CD1 4.21Å; L353-L356 WeakPolarHBondContact O-CB 3.43Å; L353-L356 PolarHBondContact O-N 3.23Å; L353-M357 WeakPolarHBondContact O-CE 3.38Å; L353-M357 PolarHBondContact O-N 3.24Å
354C98.2Very high91.4Very high0 Ų052.1 Ų52.10%027%0.272CS..Hα-helixtrans-63-40.4176.4-63.70000111.7L338 R350 R351 T352 M357 G358 E359 Y361L338-C354 HydrophobicContact CD1-CB 3.88Å; R350-C354 PolarHBondContact O-N 3.12Å; R350-C354 PolarHBondContact O-SG 3.29Å; R351-C354 PolarHBondContact O-N 3.47Å; T352-C354 PolarHBondContact O-N 3.41Å; C354-M357 CarbonylContact O-C 3.54Å; C354-M357 PolarHBondContact O-N 2.83Å; C354-M357 VanDerWaalsContact O-N 3.13Å; C354-G358 PolarHBondContact O-N 2.96Å; C354-E359 HydrophobicContact CB-CB 4.13Å; C354-E359 WeakPolarHBondContact O-CB 3.5Å; C354-E359 PolarHBondContact O-N 3.46Å; C354-Y361 HydrophobicContact CB-CE2 3.85Å
355V98.6Very high88.5Confident1 Ų161.4 Ų61.41%0.00631%0.313CS..Hα-helixtrans-69.3-34.8179174.20000112I58 A62 R63 R351 T352 L353 M357 G358 E359 Y361I58-V355 HydrophobicContact CG2-CB 3.82Å; I58-V355 HydrophobicContact CG2-CG1 4.06Å; I58-V355 HydrophobicContact CG2-CG2 3.65Å; A62-V355 HydrophobicContact CB-CB 4Å; A62-V355 HydrophobicContact CB-CG1 3.64Å; R63-V355 VanDerWaalsContact CD-CG1 3.44Å; R63-V355 HydrophobicContact CG-CG1 3.58Å; R63-V355 PolarHBondContact NH1-O 3.08Å; R351-V355 WeakPolarHBondContact O-CB 3.28Å; R351-V355 VanDerWaalsContact O-CG2 3.23Å; R351-V355 WeakPolarHBondContact O-CG2 3.4Å; R351-V355 PolarHBondContact O-N 3Å; T352-V355 PolarHBondContact O-N 2.85Å; L353-V355 VanDerWaalsContact C-N 3.33Å; L353-V355 PolarHBondContact O-N 2.69Å; V355-M357 PolarHBondContact O-N 2.68Å; V355-G358 PolarHBondContact O-N 3.47Å; V355-E359 WeakPolarHBondContact CA-O 3.38Å; V355-E359 WeakPolarHBondContact CG2-O 3.39Å; V355-Y361 HydrophobicContact CG2-CD2 3.7Å; V355-Y361 HydrophobicContact CG2-CE2 4.19Å
356L98.6Very high88.3Confident0 Ų064 Ų640%033%0.326CS..Hα-helixtrans-59.3-34.5169.9-70.1172.9000111.9T27 I28 A62 L103 L314 I315 T352 L353 G358T27-L356 VanDerWaalsContact CB-O 3.28Å; T27-L356 WeakPolarHBondContact CB-O 3.46Å; T27-L356 PolarHBondContact OG1-O 2.95Å; I28-L356 HydrophobicContact CD1-CD2 3.8Å; A62-L356 HydrophobicContact CB-CD2 3.9Å; A62-L356 HydrophobicContact CB-CG 4.04Å; L103-L356 HydrophobicContact CD1-CD2 4.03Å; L314-L356 HydrophobicContact CB-CD1 4.15Å; I315-L356 HydrophobicContact CG1-CD1 3.6Å; T352-L356 WeakPolarHBondContact O-CG 3.27Å; T352-L356 PolarHBondContact O-N 3.26Å; L353-L356 HydrophobicContact CD2-CD1 4.21Å; L353-L356 WeakPolarHBondContact O-CB 3.43Å; L353-L356 PolarHBondContact O-N 3.23Å; L356-G358 VanDerWaalsContact C-N 3.28Å; L356-G358 PolarHBondContact O-N 2.92Å
357M98.6Very high88Confident7 Ų762.9 Ų62.93%0.03431%0.312CS..THydrogen-bonded Turntrans-83.61.8176.3-70.3-178.6-7400113.9L314 L322 M326 L337 L338 V341 L353 C354 V355L314-M357 HydrophobicContact CD1-CE 4.37Å; L314-M357 HydrophobicContact CD2-CG 3.83Å; L314-M357 HydrophobicContact CD2-SD 3.87Å; L322-M357 HydrophobicContact CD2-CG 3.99Å; M326-M357 HydrophobicContact CE-CB 4.07Å; M326-M357 HydrophobicContact SD-CB 3.92Å; M326-M357 HydrophobicContact SD-CG 4.05Å; L337-M357 HydrophobicContact CB-SD 4.47Å; L337-M357 HydrophobicContact CD2-SD 3.73Å; L337-M357 HydrophobicContact CG-SD 3.73Å; L338-M357 HydrophobicContact CD1-CB 4.45Å; L338-M357 HydrophobicContact CD1-CE 3.73Å; V341-M357 HydrophobicContact CB-CE 3.79Å; V341-M357 HydrophobicContact CG1-CE 3.85Å; V341-M357 HydrophobicContact CG2-CE 3.76Å; V341-M357 HydrophobicContact CG2-SD 4.32Å; L353-M357 WeakPolarHBondContact O-CE 3.38Å; L353-M357 PolarHBondContact O-N 3.24Å; C354-M357 CarbonylContact O-C 3.54Å; C354-M357 PolarHBondContact O-N 2.83Å; C354-M357 VanDerWaalsContact O-N 3.13Å; V355-M357 PolarHBondContact O-N 2.68Å
358G97.2Very high87.6Confident32 Ų3264.5 Ų64.533%0.3331%0.31SS..THydrogen-bonded Turntrans98.41.817600000116C354 V355 L356C354-G358 PolarHBondContact O-N 2.96Å; V355-G358 PolarHBondContact O-N 3.47Å; L356-G358 VanDerWaalsContact C-N 3.28Å; L356-G358 PolarHBondContact O-N 2.92Å
359E97.1Very high87.1Confident54 Ų5466.5 Ų66.525%0.25232%0.318SS..  trans-73.1139.3174.7-166.8158-149.300111.6L338 K342 C354 V355 Y361L338-E359 HydrophobicContact CD1-CB 4.32Å; L338-E359 WeakPolarHBondContact CD1-OE2 3.45Å; L338-E359 HydrophobicContact CD2-CB 4.45Å; L338-E359 WeakPolarHBondContact CD2-OE2 3.34Å; K342-E359 WeakPolarHBondContact CE-OE2 3.49Å; K342-E359 IonicContact NZ-OE1 2.78Å; K342-E359 PolarHBondContact NZ-OE1 2.87Å; K342-E359 IonicContact NZ-OE2 2.66Å; K342-E359 PolarHBondContact NZ-OE2 3.02Å; C354-E359 HydrophobicContact CB-CB 4.13Å; C354-E359 WeakPolarHBondContact O-CB 3.5Å; C354-E359 PolarHBondContact O-N 3.46Å; V355-E359 WeakPolarHBondContact CA-O 3.38Å; V355-E359 WeakPolarHBondContact CG2-O 3.39Å; E359-Y361 HydrophobicContact CB-CE2 4.22Å; E359-Y361 HydrophobicContact CG-CE2 3.91Å; E359-Y361 PolarHBondContact OE2-OH 3.45Å
360I90.3Very high86.5Confident116 Ų11669.8 Ų69.860%0.59534%0.335SS*.  trans-109.6123.4-173.3-57172.8000109.1
361Y88.1Confident85.9Confident55 Ų5569 Ų6922%0.21634%0.337CS..  trans-110.2103.3171.8-66.9-94.1000108.8L55 N59 C354 V355 E359L55-Y361 HydrophobicContact CD2-CG 4.46Å; N59-Y361 PolarHBondContact ND2-O 3.28Å; C354-Y361 HydrophobicContact CB-CE2 3.85Å; V355-Y361 HydrophobicContact CG2-CD2 3.7Å; V355-Y361 HydrophobicContact CG2-CE2 4.19Å; E359-Y361 HydrophobicContact CB-CE2 4.22Å; E359-Y361 HydrophobicContact CG-CE2 3.91Å; E359-Y361 PolarHBondContact OE2-OH 3.45Å
362N82.3Confident85.1Confident135 Ų13568.1 Ų68.172%0.72234%0.339SS*.PPolyproline II helixtrans-80.9139.2171.1-69.7-36.4000109.6Q364N362-Q364 PolarHBondContact O-N 3.46Å
363Q65.4Low84.1Confident89 Ų8973.3 Ų73.342%0.41637%0.365SS..PPolyproline II helixtrans-63.7126.4166.1-69.4177.414.800107.4N53 L55 Q365N53-Q363 VanDerWaalsContact CG-NE2 3.29Å; N53-Q363 PolarHBondContact ND2-NE2 3Å; N53-Q363 PolarHBondContact ND2-OE1 3.05Å; N53-Q363 PolarHBondContact OD1-NE2 2.93Å; L55-Q363 HydrophobicContact CB-CG 4.18Å; L55-Q363 HydrophobicContact CD1-CG 4.1Å; Q363-Q365 PolarHBondContact O-N 3Å
364Q48.3Very low82.9Confident196 Ų19679.4 Ų79.492%0.91640%0.395SS*.PPolyproline II helixtrans-60.2122.9163.4-73-178.7-16.900106.3N362N362-Q364 PolarHBondContact O-N 3.46Å
365Q32.8Very low81.6Confident268 Ų26886.6 Ų86.6100%1.25243%0.431SS*.  trans-600175.4-78.4-176.7-10.100111.5Q363Q363-Q365 PolarHBondContact O-N 3Å

Retrieved 365 of 365 residues in 87.7 ms (Link to these results)

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