A0A087YPG1_POEFO Loading...

Zinc finger matrin-type protein 5

AlphaFold DB , UniProt , Accession A0A087YPG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 175 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
1M64.2Low87.6Confident248 Ų248102.8 Ų102.8100%1.22251%0.507SS*.  097.40-66.3-98.1-139.300108
2G77.4Confident87.7Confident70 Ų70106.5 Ų106.572%0.72251%0.511SS*.  trans-75.8144.8-176.800000112R4G2-R4 PolarHBondContact O-N 3.11Å
3K83.8Confident88.1Confident179 Ų179102.7 Ų102.778%0.77850%0.502SS*.  trans-60135.2172.4-62.2-177.6-178.1-175.10108.6D16K3-D16 HydrophobicContact CB-CB 4.09Å; K3-D16 WeakPolarHBondContact O-CB 3.45Å; K3-D16 PolarHBondContact O-N 2.84Å
4R90.1Very high88.2Confident156 Ų15698.4 Ų98.459%0.58948%0.48SS*.EExtended strand (participates in β ladder)trans-112136.9176.5-58.8-176.386.1-124.3-3.5108.4G2 S13 F14G2-R4 PolarHBondContact O-N 3.11Å; R4-S13 VanDerWaalsContact NH1-CB 3.27Å; R4-S13 PolarHBondContact NH1-OG 3.37Å; R4-S13 PolarHBondContact NH2-O 3.5Å; R4-S13 VanDerWaalsContact NH2-O 3.09Å; R4-S13 PolarHBondContact NH2-OG 3.29Å; R4-F14 CarbonylContact C-O 3.47Å; R4-F14 WeakPolarHBondContact CA-O 3.39Å; R4-F14 WeakPolarHBondContact CB-O 3.49Å
5Y92.3Very high88.4Confident49 Ų49102 Ų10219%0.19250%0.495CS..EExtended strand (participates in β ladder)trans-97.1134.4174.7176.7-95.6000108.9C7 S13 F14 R21Y5-C7 HydrophobicContact CE1-CB 3.97Å; Y5-S13 VanDerWaalsContact O-CA 3.3Å; Y5-S13 WeakPolarHBondContact O-CA 3.41Å; Y5-F14 HydrophobicContact CD1-CD1 4.34Å; Y5-F14 AromaticContact CD1-CE1 3.43Å; Y5-F14 HydrophobicContact CD1-CE1 3.43Å; Y5-F14 VanDerWaalsContact CD1-CE1 3.43Å; Y5-F14 AromaticContact CD1-CE2 3.95Å; Y5-F14 HydrophobicContact CD1-CE2 3.95Å; Y5-F14 AromaticContact CD1-CZ 3.18Å; Y5-F14 HydrophobicContact CD1-CZ 3.18Å; Y5-F14 HydrophobicContact CE1-CE1 4.02Å; Y5-F14 AromaticContact CE1-CZ 3.83Å; Y5-F14 HydrophobicContact CE1-CZ 3.83Å; Y5-F14 HydrophobicContact CG-CE1 4.49Å; Y5-F14 HydrophobicContact CG-CE2 4.39Å; Y5-F14 HydrophobicContact CG-CZ 4.04Å; Y5-F14 PolarHBondContact N-O 2.94Å; Y5-F14 PolarHBondContact O-N 3.35Å; Y5-R21 HydrophobicContact CD1-CG 4.24Å; Y5-R21 HydrophobicContact CD2-CG 4.27Å; Y5-R21 VanDerWaalsContact CD2-NE 3.34Å; Y5-R21 HydrophobicContact CE1-CG 4.03Å; Y5-R21 HydrophobicContact CE2-CG 4.13Å; Y5-R21 HydrophobicContact CG-CG 4.31Å
6Y94.3Very high88.2Confident110 Ų11099.1 Ų99.143%0.43148%0.483SS..EExtended strand (participates in β ladder)trans-109137173.5-175.2-102.9000109.3D8 D11Y6-D8 WeakPolarHBondContact CD1-OD1 3.47Å; Y6-D8 WeakPolarHBondContact CE1-OD1 3.45Å; Y6-D11 WeakPolarHBondContact OH-CA 3.29Å; Y6-D11 PolarHBondContact OH-OD1 2.78Å
7C94.1Very high88.2Confident1 Ų198.3 Ų98.31%0.00748%0.481CS..EExtended strand (participates in β ladder)trans-111.3115.1172.5-179.10000110.3Y5 Y9 C10 D11 R12 H24 H30Y5-C7 HydrophobicContact CE1-CB 3.97Å; C7-Y9 PolarHBondContact O-N 3.49Å; C7-C10 HydrophobicContact CB-CB 4.23Å; C7-C10 PolarHBondContact O-N 3.03Å; C7-C10 VanDerWaalsContact O-N 3.16Å; C7-D11 PolarHBondContact O-N 2.83Å; C7-R12 PolarHBondContact N-O 3.45Å; C7-R12 VanDerWaalsContact N-O 3.12Å; C7-H24 WeakPolarHBondContact CB-NE2 3.29Å; C7-H24 PolarHBondContact SG-NE2 2.7Å; C7-H30 VanDerWaalsContact SG-CE1 3.52Å; C7-H30 PolarHBondContact SG-ND1 3.12Å; C7-H30 VanDerWaalsContact SG-ND1 3.36Å
8D92.3Very high88.2Confident113 Ų113100 Ų10060%0.60449%0.49SS*.THydrogen-bonded Turntrans-65.2-24.6-178.3-51.4-50.6000113.6Y6Y6-D8 WeakPolarHBondContact CD1-OD1 3.47Å; Y6-D8 WeakPolarHBondContact CE1-OD1 3.45Å
9Y92Very high88.2Confident67 Ų67101.1 Ų101.126%0.26349%0.493SS..THydrogen-bonded Turntrans-80.6-23.4178-57-75.1000112.9C7 H30 A33 K34 W37 Y38C7-Y9 PolarHBondContact O-N 3.49Å; Y9-H30 AromaticContact CD2-CE1 3.55Å; Y9-A33 WeakPolarHBondContact O-CB 3.46Å; Y9-K34 HydrophobicContact CD1-CB 4.12Å; Y9-K34 HydrophobicContact CD1-CG 3.98Å; Y9-K34 HydrophobicContact CE1-CG 3.97Å; Y9-K34 HydrophobicContact CG-CB 4.12Å; Y9-K34 HydrophobicContact CG-CG 4.26Å; Y9-W37 HydrophobicContact CD1-CB 4.05Å; Y9-W37 HydrophobicContact CD1-CD2 4.18Å; Y9-W37 HydrophobicContact CD1-CE3 4.42Å; Y9-W37 HydrophobicContact CD1-CG 4.02Å; Y9-W37 HydrophobicContact CE1-CD2 4.09Å; Y9-W37 AromaticContact CE1-CE3 3.94Å; Y9-W37 HydrophobicContact CE1-CE3 3.94Å; Y9-W37 HydrophobicContact CE1-CG 4.42Å; Y9-W37 HydrophobicContact CE1-CZ3 4.5Å; Y9-Y38 AromaticContact CE1-CE2 3.97Å; Y9-Y38 HydrophobicContact CE1-CE2 3.97Å; Y9-Y38 PolarHBondContact OH-OH 3.3Å
10C92.1Very high88.2Confident22 Ų2299.7 Ų99.715%0.14949%0.488CS..THydrogen-bonded Turntrans-115.5-6.7-172-66.60000113.3C7 R12C7-C10 HydrophobicContact CB-CB 4.23Å; C7-C10 PolarHBondContact O-N 3.03Å; C7-C10 VanDerWaalsContact O-N 3.16Å; C10-R12 HydrophobicContact CB-CB 4.48Å; C10-R12 WeakPolarHBondContact O-CG 3.46Å; C10-R12 PolarHBondContact O-N 3.22Å
11D90.9Very high88.4Confident116 Ų11698.2 Ų98.262%0.6248%0.477SS*.THydrogen-bonded Turntrans47.540.8-173.4-60.2-40.7000114Y6 C7Y6-D11 WeakPolarHBondContact OH-CA 3.29Å; Y6-D11 PolarHBondContact OH-OD1 2.78Å; C7-D11 PolarHBondContact O-N 2.83Å
12R89.5Confident89.7Confident147 Ų14793.1 Ų93.156%0.55545%0.449SS*.EExtended strand (participates in β ladder)trans-123.9133.8-176.7-75.5172.6-166.6-1654111.6C7 C10C7-R12 PolarHBondContact N-O 3.45Å; C7-R12 VanDerWaalsContact N-O 3.12Å; C10-R12 HydrophobicContact CB-CB 4.48Å; C10-R12 WeakPolarHBondContact O-CG 3.46Å; C10-R12 PolarHBondContact O-N 3.22Å
13S92Very high90.5Very high57 Ų5796.7 Ų96.740%0.39944%0.444SS..EExtended strand (participates in β ladder)trans-107.4128.617255.40000111.3R4 Y5R4-S13 VanDerWaalsContact NH1-CB 3.27Å; R4-S13 PolarHBondContact NH1-OG 3.37Å; R4-S13 PolarHBondContact NH2-O 3.5Å; R4-S13 VanDerWaalsContact NH2-O 3.09Å; R4-S13 PolarHBondContact NH2-OG 3.29Å; Y5-S13 VanDerWaalsContact O-CA 3.3Å; Y5-S13 WeakPolarHBondContact O-CA 3.41Å
14F89.9Confident90.9Very high42 Ų4289.9 Ų89.918%0.18442%0.415CS..EExtended strand (participates in β ladder)trans-135.4167.317758.4-92.1000111.3R4 Y5 D16 N20 R21 H24R4-F14 CarbonylContact C-O 3.47Å; R4-F14 WeakPolarHBondContact CA-O 3.39Å; R4-F14 WeakPolarHBondContact CB-O 3.49Å; Y5-F14 HydrophobicContact CD1-CD1 4.34Å; Y5-F14 AromaticContact CD1-CE1 3.43Å; Y5-F14 HydrophobicContact CD1-CE1 3.43Å; Y5-F14 VanDerWaalsContact CD1-CE1 3.43Å; Y5-F14 AromaticContact CD1-CE2 3.95Å; Y5-F14 HydrophobicContact CD1-CE2 3.95Å; Y5-F14 AromaticContact CD1-CZ 3.18Å; Y5-F14 HydrophobicContact CD1-CZ 3.18Å; Y5-F14 HydrophobicContact CE1-CE1 4.02Å; Y5-F14 AromaticContact CE1-CZ 3.83Å; Y5-F14 HydrophobicContact CE1-CZ 3.83Å; Y5-F14 HydrophobicContact CG-CE1 4.49Å; Y5-F14 HydrophobicContact CG-CE2 4.39Å; Y5-F14 HydrophobicContact CG-CZ 4.04Å; Y5-F14 PolarHBondContact N-O 2.94Å; Y5-F14 PolarHBondContact O-N 3.35Å; F14-D16 PolarHBondContact O-N 3.4Å; F14-N20 HydrophobicContact CD2-CB 4.11Å; F14-N20 HydrophobicContact CE2-CB 3.97Å; F14-R21 HydrophobicContact CE2-CB 4.4Å; F14-R21 HydrophobicContact CZ-CB 4.46Å; F14-H24 HydrophobicContact CE1-CB 3.92Å; F14-H24 AromaticContact CE1-CD2 3.89Å; F14-H24 AromaticContact CE1-CG 3.61Å; F14-H24 AromaticContact CE1-ND1 3.94Å; F14-H24 HydrophobicContact CZ-CB 3.74Å; F14-H24 AromaticContact CZ-CG 3.91Å
15Q91.4Very high91Very high153 Ų15385.1 Ų85.172%0.71540%0.401SS*.EExtended strand (participates in β ladder)trans-63.4123.2177.1-68.2178.6-15.800110.2N17Q15-N17 PolarHBondContact O-N 3.26Å
16D85.3Confident91.1Very high55 Ų5587.9 Ų87.929%0.29442%0.419SS..  trans-7498.2-173.9-166.615.6000110.5K3 F14 R21K3-D16 HydrophobicContact CB-CB 4.09Å; K3-D16 WeakPolarHBondContact O-CB 3.45Å; K3-D16 PolarHBondContact O-N 2.84Å; F14-D16 PolarHBondContact O-N 3.4Å; D16-R21 IonicContact OD1-CZ 3.12Å; D16-R21 IonicContact OD1-NE 2.8Å; D16-R21 PolarHBondContact OD1-NE 2.94Å; D16-R21 IonicContact OD1-NH2 3.78Å; D16-R21 PolarHBondContact OD1-NH2 3.09Å; D16-R21 IonicContact OD2-CZ 2.83Å; D16-R21 IonicContact OD2-NH2 3.23Å; D16-R21 PolarHBondContact OD2-NH2 3.43Å
17N88.6Confident91.1Very high86 Ų8683.6 Ų83.646%0.4641%0.409SS..  trans-124.5135.4167.7-177.3-35000107.2Q15 H19 N20 R21Q15-N17 PolarHBondContact O-N 3.26Å; N17-H19 PolarHBondContact O-N 2.86Å; N17-H19 VanDerWaalsContact O-N 3.13Å; N17-H19 PolarHBondContact OD1-N 2.72Å; N17-N20 HydrophobicContact CB-CB 4.17Å; N17-N20 PolarHBondContact O-N 2.84Å; N17-R21 PolarHBondContact O-N 3.44Å
18M87.6Confident91Very high129 Ų12988 Ų8864%0.63544%0.435SS*.Hα-helixtrans-49.2-40.8177.5-92.8-7497.200112.9R21 K22M18-R21 HydrophobicContact CE-CB 4.49Å; M18-K22 WeakPolarHBondContact O-CB 3.46Å; M18-K22 PolarHBondContact O-N 2.79Å
19H87.9Confident91Very high120 Ų12088.8 Ų88.856%0.55644%0.435SS*.Hα-helixtrans-68.8-41.7-179.9-14896000112N17 K22 K23N17-H19 PolarHBondContact O-N 2.86Å; N17-H19 VanDerWaalsContact O-N 3.13Å; N17-H19 PolarHBondContact OD1-N 2.72Å; H19-K22 PolarHBondContact O-N 3.43Å; H19-K23 WeakPolarHBondContact O-CG 3.5Å; H19-K23 PolarHBondContact O-N 3.35Å
20N88.6Confident91Very high73 Ų7386.1 Ų86.139%0.3943%0.425SS..Hα-helixtrans-67.1-42.1177.2-69.2-10.3000111.3F14 N17 K23 H24F14-N20 HydrophobicContact CD2-CB 4.11Å; F14-N20 HydrophobicContact CE2-CB 3.97Å; N17-N20 HydrophobicContact CB-CB 4.17Å; N17-N20 PolarHBondContact O-N 2.84Å; N20-K23 PolarHBondContact O-N 3.29Å; N20-H24 WeakPolarHBondContact O-CB 3.35Å; N20-H24 PolarHBondContact O-N 3.18Å
21R91.4Very high91.1Very high69 Ų6989.8 Ų89.826%0.2644%0.44SS..Hα-helixtrans-60.6-47.1176.7-167.2-170.2-64.4-160-3.5111.1Y5 F14 D16 N17 M18 H24 L25Y5-R21 HydrophobicContact CD1-CG 4.24Å; Y5-R21 HydrophobicContact CD2-CG 4.27Å; Y5-R21 VanDerWaalsContact CD2-NE 3.34Å; Y5-R21 HydrophobicContact CE1-CG 4.03Å; Y5-R21 HydrophobicContact CE2-CG 4.13Å; Y5-R21 HydrophobicContact CG-CG 4.31Å; F14-R21 HydrophobicContact CE2-CB 4.4Å; F14-R21 HydrophobicContact CZ-CB 4.46Å; D16-R21 IonicContact OD1-CZ 3.12Å; D16-R21 IonicContact OD1-NE 2.8Å; D16-R21 PolarHBondContact OD1-NE 2.94Å; D16-R21 IonicContact OD1-NH2 3.78Å; D16-R21 PolarHBondContact OD1-NH2 3.09Å; D16-R21 IonicContact OD2-CZ 2.83Å; D16-R21 IonicContact OD2-NH2 3.23Å; D16-R21 PolarHBondContact OD2-NH2 3.43Å; N17-R21 PolarHBondContact O-N 3.44Å; M18-R21 HydrophobicContact CE-CB 4.49Å; R21-H24 PolarHBondContact O-N 3.2Å; R21-L25 HydrophobicContact CG-CD1 4.06Å; R21-L25 HydrophobicContact CG-CG 4.43Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.28Å; R21-L25 PolarHBondContact O-N 3.17Å
22K92.1Very high91.1Very high142 Ų14293.1 Ų93.162%0.61744%0.444SS*.Hα-helixtrans-63.2-43.4178.3-169.8173.6-176.9176.10112.2M18 H19 H24 L25 N26M18-K22 WeakPolarHBondContact O-CB 3.46Å; M18-K22 PolarHBondContact O-N 2.79Å; H19-K22 PolarHBondContact O-N 3.43Å; K22-H24 VanDerWaalsContact C-N 3.32Å; K22-H24 PolarHBondContact O-N 2.94Å; K22-L25 PolarHBondContact O-N 3.04Å; K22-N26 WeakPolarHBondContact O-CB 3.22Å; K22-N26 PolarHBondContact O-N 2.76Å
23K93.6Very high91.1Very high144 Ų14487.4 Ų87.463%0.62643%0.428SS*.Hα-helixtrans-62.8-38.5175.2-77.5-172174.7-178.60112.4H19 N20 G27H19-K23 WeakPolarHBondContact O-CG 3.5Å; H19-K23 PolarHBondContact O-N 3.35Å; N20-K23 PolarHBondContact O-N 3.29Å; K23-G27 PolarHBondContact O-N 3.42Å
24H93.8Very high91.1Very high37 Ų3788.5 Ų88.517%0.17143%0.426CS..Hα-helixtrans-64.6-52.4175.8175.777.4000111.6C7 F14 N20 R21 K22 N26 G27 H30C7-H24 WeakPolarHBondContact CB-NE2 3.29Å; C7-H24 PolarHBondContact SG-NE2 2.7Å; F14-H24 HydrophobicContact CE1-CB 3.92Å; F14-H24 AromaticContact CE1-CD2 3.89Å; F14-H24 AromaticContact CE1-CG 3.61Å; F14-H24 AromaticContact CE1-ND1 3.94Å; F14-H24 HydrophobicContact CZ-CB 3.74Å; F14-H24 AromaticContact CZ-CG 3.91Å; N20-H24 WeakPolarHBondContact O-CB 3.35Å; N20-H24 PolarHBondContact O-N 3.18Å; R21-H24 PolarHBondContact O-N 3.2Å; K22-H24 VanDerWaalsContact C-N 3.32Å; K22-H24 PolarHBondContact O-N 2.94Å; H24-N26 VanDerWaalsContact C-N 3.34Å; H24-N26 PolarHBondContact O-N 2.72Å; H24-G27 PolarHBondContact O-N 3.18Å; H24-H30 AromaticContact CD2-ND1 3.94Å; H24-H30 AromaticContact NE2-ND1 3.5Å; H24-H30 WeakPolarHBondContact O-CB 3.13Å
25L92.3Very high91Very high56 Ų5691.2 Ų91.229%0.29344%0.438SS..Hα-helixtrans-63.4-36-177-67.9175000113.2R21 K22 G27 H30 H31R21-L25 HydrophobicContact CG-CD1 4.06Å; R21-L25 HydrophobicContact CG-CG 4.43Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.28Å; R21-L25 PolarHBondContact O-N 3.17Å; K22-L25 PolarHBondContact O-N 3.04Å; L25-G27 VanDerWaalsContact C-N 3.26Å; L25-H30 VanDerWaalsContact CD2-CE1 3.5Å; L25-H30 WeakPolarHBondContact CD2-CE1 3.44Å; L25-H30 PolarHBondContact O-CD2 3.29Å; L25-H31 PolarHBondContact O-CE1 2.95Å
26N93.3Very high90.7Very high106 Ų10686.6 Ų86.657%0.56743%0.425SS*.THydrogen-bonded Turntrans-86.93.3176.7-65.7-1.9000112.8K22 H24K22-N26 WeakPolarHBondContact O-CB 3.22Å; K22-N26 PolarHBondContact O-N 2.76Å; H24-N26 VanDerWaalsContact C-N 3.34Å; H24-N26 PolarHBondContact O-N 2.72Å
27G93.9Very high90.9Very high21 Ų2189.3 Ų89.322%0.21643%0.432CS..SBendtrans-76.1143.1-179.500000111.6K23 H24 L25 Q29 H30 H31K23-G27 PolarHBondContact O-N 3.42Å; H24-G27 PolarHBondContact O-N 3.18Å; L25-G27 VanDerWaalsContact C-N 3.26Å; G27-Q29 PolarHBondContact O-N 3.04Å; G27-H30 PolarHBondContact O-N 2.89Å; G27-H31 PolarHBondContact O-CD2 3.3Å; G27-H31 PolarHBondContact O-N 3.49Å
28V92.9Very high90.6Very high92 Ų9290.1 Ų90.156%0.55843%0.429SS*.Hα-helixtrans-56.6-35.4176.2179.40000111.6H31 R32V28-H31 PolarHBondContact O-N 2.99Å; V28-R32 HydrophobicContact CG1-CG 4.27Å; V28-R32 WeakPolarHBondContact O-CB 3.34Å; V28-R32 VanDerWaalsContact O-CG 3.27Å; V28-R32 WeakPolarHBondContact O-CG 3.34Å; V28-R32 PolarHBondContact O-N 3.22Å
29Q90.9Very high90.3Very high131 Ų13186.7 Ų86.761%0.61241%0.413SS*.Hα-helixtrans-62-46.6176.3-67.7-174.2-700111.7G27 R32 A33G27-Q29 PolarHBondContact O-N 3.04Å; Q29-R32 PolarHBondContact O-N 3.45Å; Q29-A33 WeakPolarHBondContact O-CB 3.17Å; Q29-A33 PolarHBondContact O-N 3.25Å
30H93.9Very high89.8Confident10 Ų1088.4 Ų88.45%0.04642%0.421CS..Hα-helixtrans-63.5-45.3176.6177.887.7000111.4C7 Y9 H24 L25 G27 R32 A33 K34C7-H30 VanDerWaalsContact SG-CE1 3.52Å; C7-H30 PolarHBondContact SG-ND1 3.12Å; C7-H30 VanDerWaalsContact SG-ND1 3.36Å; Y9-H30 AromaticContact CD2-CE1 3.55Å; H24-H30 AromaticContact CD2-ND1 3.94Å; H24-H30 AromaticContact NE2-ND1 3.5Å; H24-H30 WeakPolarHBondContact O-CB 3.13Å; L25-H30 VanDerWaalsContact CD2-CE1 3.5Å; L25-H30 WeakPolarHBondContact CD2-CE1 3.44Å; L25-H30 PolarHBondContact O-CD2 3.29Å; G27-H30 PolarHBondContact O-N 2.89Å; H30-R32 VanDerWaalsContact C-N 3.32Å; H30-R32 PolarHBondContact O-N 2.99Å; H30-A33 PolarHBondContact O-N 3.36Å; H30-K34 WeakPolarHBondContact O-CB 3.42Å; H30-K34 PolarHBondContact O-N 3.36Å
31H93.2Very high89.1Confident100 Ų10091.2 Ų91.246%0.46343%0.43SS..Hα-helixtrans-59.7-41.5176.5-68.3-53.6000112.7L25 G27 V28 K35L25-H31 PolarHBondContact O-CE1 2.95Å; G27-H31 PolarHBondContact O-CD2 3.3Å; G27-H31 PolarHBondContact O-N 3.49Å; V28-H31 PolarHBondContact O-N 2.99Å; H31-K35 VanDerWaalsContact O-CB 3.31Å; H31-K35 WeakPolarHBondContact O-CB 3.22Å; H31-K35 PolarHBondContact O-N 3.44Å
32R90.8Very high88.4Confident185 Ų18592.8 Ų92.870%0.69844%0.436SS*.Hα-helixtrans-65.7-47.2176.2-74.8177-177.4-174.82.1111.9V28 Q29 H30 K35 A36V28-R32 HydrophobicContact CG1-CG 4.27Å; V28-R32 WeakPolarHBondContact O-CB 3.34Å; V28-R32 VanDerWaalsContact O-CG 3.27Å; V28-R32 WeakPolarHBondContact O-CG 3.34Å; V28-R32 PolarHBondContact O-N 3.22Å; Q29-R32 PolarHBondContact O-N 3.45Å; H30-R32 VanDerWaalsContact C-N 3.32Å; H30-R32 PolarHBondContact O-N 2.99Å; R32-K35 PolarHBondContact O-N 3.18Å; R32-A36 WeakPolarHBondContact O-CB 3.22Å; R32-A36 PolarHBondContact O-N 3.09Å
33A90.5Very high87.4Confident28 Ų2891.7 Ų91.723%0.23144%0.437CS..Hα-helixtrans-66.6-42.3-179.200000111.5Y9 Q29 H30 K35 A36 W37Y9-A33 WeakPolarHBondContact O-CB 3.46Å; Q29-A33 WeakPolarHBondContact O-CB 3.17Å; Q29-A33 PolarHBondContact O-N 3.25Å; H30-A33 PolarHBondContact O-N 3.36Å; A33-K35 PolarHBondContact O-N 2.84Å; A33-A36 PolarHBondContact O-N 2.95Å; A33-W37 WeakPolarHBondContact O-CB 3.3Å; A33-W37 PolarHBondContact O-N 2.8Å
34K90.7Very high85.8Confident80 Ų8091.6 Ų91.635%0.34843%0.434SS..Hα-helixtrans-57.5-48.3171.4-176.4175.7-177.8177.30111.2Y9 H30 W37 Y38Y9-K34 HydrophobicContact CD1-CB 4.12Å; Y9-K34 HydrophobicContact CD1-CG 3.98Å; Y9-K34 HydrophobicContact CE1-CG 3.97Å; Y9-K34 HydrophobicContact CG-CB 4.12Å; Y9-K34 HydrophobicContact CG-CG 4.26Å; H30-K34 WeakPolarHBondContact O-CB 3.42Å; H30-K34 PolarHBondContact O-N 3.36Å; K34-W37 PolarHBondContact O-N 3.34Å; K34-Y38 HydrophobicContact CD-CE2 4.26Å; K34-Y38 HydrophobicContact CG-CD2 3.86Å; K34-Y38 HydrophobicContact CG-CE2 3.62Å; K34-Y38 WeakPolarHBondContact O-CD2 3.16Å; K34-Y38 PolarHBondContact O-N 3.24Å
35K87.9Confident84.2Confident99 Ų9993.2 Ų93.243%0.4345%0.454SS..Hα-helixtrans-60.3-47.1176.8-174.8-174.1175-63.70111.4H31 R32 A33 W37 Y38 D39H31-K35 VanDerWaalsContact O-CB 3.31Å; H31-K35 WeakPolarHBondContact O-CB 3.22Å; H31-K35 PolarHBondContact O-N 3.44Å; R32-K35 PolarHBondContact O-N 3.18Å; A33-K35 PolarHBondContact O-N 2.84Å; K35-W37 VanDerWaalsContact C-N 3.29Å; K35-W37 PolarHBondContact O-N 3.18Å; K35-Y38 CarbonylContact O-C 3.57Å; K35-Y38 PolarHBondContact O-N 3Å; K35-D39 VanDerWaalsContact NZ-CG 3.28Å; K35-D39 IonicContact NZ-OD1 2.66Å; K35-D39 PolarHBondContact NZ-OD1 3.45Å; K35-D39 IonicContact NZ-OD2 2.66Å; K35-D39 PolarHBondContact NZ-OD2 3.1Å; K35-D39 WeakPolarHBondContact O-CB 3.11Å; K35-D39 PolarHBondContact O-N 2.88Å
36A86.4Confident82.8Confident55 Ų5592.7 Ų92.746%0.45546%0.457SS..Hα-helixtrans-60.3-40.3178.900000112.1R32 A33 D39 Q40R32-A36 WeakPolarHBondContact O-CB 3.22Å; R32-A36 PolarHBondContact O-N 3.09Å; A33-A36 PolarHBondContact O-N 2.95Å; A36-D39 WeakPolarHBondContact O-CB 3.29Å; A36-D39 PolarHBondContact O-N 2.88Å; A36-Q40 PolarHBondContact O-N 3.41Å; A36-Q40 VanDerWaalsContact O-N 3.11Å
37W88.3Confident81.4Confident113 Ų11390 Ų9043%0.42845%0.445SS..Hα-helixtrans-60.2-49.3173.8-171.292.6000111.1Y9 A33 K34 K35 D39 Q40 F41Y9-W37 HydrophobicContact CD1-CB 4.05Å; Y9-W37 HydrophobicContact CD1-CD2 4.18Å; Y9-W37 HydrophobicContact CD1-CE3 4.42Å; Y9-W37 HydrophobicContact CD1-CG 4.02Å; Y9-W37 HydrophobicContact CE1-CD2 4.09Å; Y9-W37 AromaticContact CE1-CE3 3.94Å; Y9-W37 HydrophobicContact CE1-CE3 3.94Å; Y9-W37 HydrophobicContact CE1-CG 4.42Å; Y9-W37 HydrophobicContact CE1-CZ3 4.5Å; A33-W37 WeakPolarHBondContact O-CB 3.3Å; A33-W37 PolarHBondContact O-N 2.8Å; K34-W37 PolarHBondContact O-N 3.34Å; K35-W37 VanDerWaalsContact C-N 3.29Å; K35-W37 PolarHBondContact O-N 3.18Å; W37-D39 VanDerWaalsContact C-N 3.29Å; W37-D39 PolarHBondContact O-N 3.48Å; W37-Q40 WeakPolarHBondContact O-CB 3.34Å; W37-Q40 PolarHBondContact O-N 3.18Å; W37-F41 HydrophobicContact CD2-CD2 4.01Å; W37-F41 AromaticContact CD2-CE2 3.91Å; W37-F41 HydrophobicContact CD2-CE2 3.91Å; W37-F41 AromaticContact CE2-CD2 3.96Å; W37-F41 AromaticContact CE2-CE2 3.48Å; W37-F41 VanDerWaalsContact CE2-CE2 3.48Å; W37-F41 HydrophobicContact CE3-CD2 4.07Å; W37-F41 HydrophobicContact CE3-CE2 4.41Å; W37-F41 HydrophobicContact CG-CE2 4.39Å; W37-F41 HydrophobicContact CH2-CD2 4.05Å; W37-F41 HydrophobicContact CH2-CE2 4.15Å; W37-F41 HydrophobicContact CZ2-CD2 4Å; W37-F41 AromaticContact CZ2-CE2 3.63Å; W37-F41 HydrophobicContact CZ2-CE2 3.63Å; W37-F41 HydrophobicContact CZ2-CZ 4.36Å; W37-F41 HydrophobicContact CZ3-CD2 4.08Å; W37-F41 AromaticContact NE1-CE2 3.74Å; W37-F41 WeakPolarHBondContact O-CD2 3.34Å
38Y83.1Confident79.9Confident103 Ų10390.1 Ų90.140%0.40444%0.44SS..Hα-helixtrans-68.3-26175.1-74.9-71.5000113.6Y9 K34 K35 Q40 F41 R42Y9-Y38 AromaticContact CE1-CE2 3.97Å; Y9-Y38 HydrophobicContact CE1-CE2 3.97Å; Y9-Y38 PolarHBondContact OH-OH 3.3Å; K34-Y38 HydrophobicContact CD-CE2 4.26Å; K34-Y38 HydrophobicContact CG-CD2 3.86Å; K34-Y38 HydrophobicContact CG-CE2 3.62Å; K34-Y38 WeakPolarHBondContact O-CD2 3.16Å; K34-Y38 PolarHBondContact O-N 3.24Å; K35-Y38 CarbonylContact O-C 3.57Å; K35-Y38 PolarHBondContact O-N 3Å; Y38-Q40 VanDerWaalsContact C-N 3.28Å; Y38-F41 CarbonylContact O-C 3.53Å; Y38-F41 PolarHBondContact O-N 2.91Å; Y38-R42 WeakPolarHBondContact O-CB 3.32Å; Y38-R42 PolarHBondContact O-N 3.2Å
39D81.2Confident78.4Confident56 Ų5691 Ų9130%0.29944%0.438SS..Hα-helixtrans-65.5-34.7174.8-65.8-23.8000110.3K35 A36 W37 R42K35-D39 VanDerWaalsContact NZ-CG 3.28Å; K35-D39 IonicContact NZ-OD1 2.66Å; K35-D39 PolarHBondContact NZ-OD1 3.45Å; K35-D39 IonicContact NZ-OD2 2.66Å; K35-D39 PolarHBondContact NZ-OD2 3.1Å; K35-D39 WeakPolarHBondContact O-CB 3.11Å; K35-D39 PolarHBondContact O-N 2.88Å; A36-D39 WeakPolarHBondContact O-CB 3.29Å; A36-D39 PolarHBondContact O-N 2.88Å; W37-D39 VanDerWaalsContact C-N 3.29Å; W37-D39 PolarHBondContact O-N 3.48Å; D39-R42 PolarHBondContact O-N 2.82Å; D39-R42 IonicContact OD1-CZ 3.96Å; D39-R42 IonicContact OD1-NH1 2.76Å; D39-R42 PolarHBondContact OD1-NH1 2.97Å; D39-R42 IonicContact OD1-NH2 3.44Å; D39-R42 PolarHBondContact OD1-NH2 3.09Å
40Q78.1Confident77Confident156 Ų15688.2 Ų88.273%0.72943%0.427SS*.Hα-helixtrans-67.7-34.7176.6-177.162.825.700113.3A36 W37 Y38A36-Q40 PolarHBondContact O-N 3.41Å; A36-Q40 VanDerWaalsContact O-N 3.11Å; W37-Q40 WeakPolarHBondContact O-CB 3.34Å; W37-Q40 PolarHBondContact O-N 3.18Å; Y38-Q40 VanDerWaalsContact C-N 3.28Å
41F72.8Confident75.6Confident132 Ų13290 Ų9058%0.57944%0.436SS*.THydrogen-bonded Turntrans-100.79.7178.6-58.3-78.2000112.6W37 Y38 D43W37-F41 HydrophobicContact CD2-CD2 4.01Å; W37-F41 AromaticContact CD2-CE2 3.91Å; W37-F41 HydrophobicContact CD2-CE2 3.91Å; W37-F41 AromaticContact CE2-CD2 3.96Å; W37-F41 AromaticContact CE2-CE2 3.48Å; W37-F41 VanDerWaalsContact CE2-CE2 3.48Å; W37-F41 HydrophobicContact CE3-CD2 4.07Å; W37-F41 HydrophobicContact CE3-CE2 4.41Å; W37-F41 HydrophobicContact CG-CE2 4.39Å; W37-F41 HydrophobicContact CH2-CD2 4.05Å; W37-F41 HydrophobicContact CH2-CE2 4.15Å; W37-F41 HydrophobicContact CZ2-CD2 4Å; W37-F41 AromaticContact CZ2-CE2 3.63Å; W37-F41 HydrophobicContact CZ2-CE2 3.63Å; W37-F41 HydrophobicContact CZ2-CZ 4.36Å; W37-F41 HydrophobicContact CZ3-CD2 4.08Å; W37-F41 AromaticContact NE1-CE2 3.74Å; W37-F41 WeakPolarHBondContact O-CD2 3.34Å; Y38-F41 CarbonylContact O-C 3.53Å; Y38-F41 PolarHBondContact O-N 2.91Å; F41-D43 PolarHBondContact O-N 2.79Å
42R76.5Confident74.1Confident102 Ų10291.2 Ų91.239%0.38544%0.442SS..SBendtrans-72.6128.4177.6-168.6178.9-75.5123.47.5108.2Y38 D39 Y44 V47Y38-R42 WeakPolarHBondContact O-CB 3.32Å; Y38-R42 PolarHBondContact O-N 3.2Å; D39-R42 PolarHBondContact O-N 2.82Å; D39-R42 IonicContact OD1-CZ 3.96Å; D39-R42 IonicContact OD1-NH1 2.76Å; D39-R42 PolarHBondContact OD1-NH1 2.97Å; D39-R42 IonicContact OD1-NH2 3.44Å; D39-R42 PolarHBondContact OD1-NH2 3.09Å; R42-Y44 PolarHBondContact O-N 3.27Å; R42-V47 HydrophobicContact CB-CG2 4.23Å; R42-V47 VanDerWaalsContact CD-CG2 3.49Å; R42-V47 HydrophobicContact CG-CG2 3.84Å
43D70.9Confident72.7Confident120 Ų12087.7 Ų87.764%0.64244%0.436SS*.  trans-52.8124.6175.7-66.3-34.7000110.3F41 A45 A46 V47F41-D43 PolarHBondContact O-N 2.79Å; D43-A45 PolarHBondContact O-N 3.37Å; D43-A45 VanDerWaalsContact O-N 3.15Å; D43-A46 HydrophobicContact CB-CB 4.19Å; D43-A46 WeakPolarHBondContact O-CA 3.31Å; D43-A46 WeakPolarHBondContact O-CB 3.31Å; D43-A46 PolarHBondContact O-N 2.78Å; D43-V47 PolarHBondContact O-N 2.95Å; D43-V47 VanDerWaalsContact O-N 3.09Å
44Y60.4Low71.7Confident141 Ų14189.3 Ų89.355%0.55344%0.437SS*.Hα-helixtrans-53.7-35.4177.1-173.8-111.7000111.1R42 A46 V47 L48 M89R42-Y44 PolarHBondContact O-N 3.27Å; Y44-A46 PolarHBondContact O-N 3.24Å; Y44-V47 PolarHBondContact O-N 3.46Å; Y44-L48 HydrophobicContact CD1-CD1 3.46Å; Y44-L48 VanDerWaalsContact CD1-CD1 3.46Å; Y44-L48 HydrophobicContact CD1-CG 4.36Å; Y44-L48 HydrophobicContact CE1-CD1 3.3Å; Y44-L48 HydrophobicContact CE1-CG 4.14Å; Y44-L48 HydrophobicContact CG-CD1 4.17Å; Y44-L48 WeakPolarHBondContact O-CB 3.4Å; Y44-L48 WeakPolarHBondContact O-CD1 3.28Å; Y44-L48 VanDerWaalsContact O-CG 3.32Å; Y44-L48 WeakPolarHBondContact O-CG 3.13Å; Y44-L48 PolarHBondContact O-N 3.37Å; Y44-M89 HydrophobicContact CD1-CE 4.47Å; Y44-M89 HydrophobicContact CE1-CE 4.22Å
45A60.1Low70.6Confident71 Ų7193.3 Ų93.359%0.58746%0.455SS*.Hα-helixtrans-61.7-38.617400000113.7D43 H49D43-A45 PolarHBondContact O-N 3.37Å; D43-A45 VanDerWaalsContact O-N 3.15Å; A45-H49 WeakPolarHBondContact O-CB 3.38Å; A45-H49 PolarHBondContact O-N 2.99Å
46A64.2Low69.9Low45 Ų4591.9 Ų91.937%0.37246%0.455SS..Hα-helixtrans-73.1-36.917700000111.6D43 Y44 D50D43-A46 HydrophobicContact CB-CB 4.19Å; D43-A46 WeakPolarHBondContact O-CA 3.31Å; D43-A46 WeakPolarHBondContact O-CB 3.31Å; D43-A46 PolarHBondContact O-N 2.78Å; Y44-A46 PolarHBondContact O-N 3.24Å; A46-D50 VanDerWaalsContact O-CB 3.28Å; A46-D50 WeakPolarHBondContact O-CB 3.29Å; A46-D50 PolarHBondContact O-N 3.4Å
47V63.5Low69.6Low50 Ų5089.6 Ų89.630%0.30344%0.436SS..Hα-helixtrans-62.5-45.2174.2175.70000111.1R42 D43 Y44 D50 E51R42-V47 HydrophobicContact CB-CG2 4.23Å; R42-V47 VanDerWaalsContact CD-CG2 3.49Å; R42-V47 HydrophobicContact CG-CG2 3.84Å; D43-V47 PolarHBondContact O-N 2.95Å; D43-V47 VanDerWaalsContact O-N 3.09Å; Y44-V47 PolarHBondContact O-N 3.46Å; V47-D50 WeakPolarHBondContact O-CB 3.2Å; V47-D50 PolarHBondContact O-N 2.9Å; V47-E51 WeakPolarHBondContact O-CB 3.27Å; V47-E51 PolarHBondContact O-N 3.25Å
48L61.8Low69.1Low23 Ų2393.3 Ų93.312%0.1245%0.45CS..Hα-helixtrans-66.9-42.6179-77.6163.7000113.4Y44 D50 E51 Q52 L85 M89Y44-L48 HydrophobicContact CD1-CD1 3.46Å; Y44-L48 VanDerWaalsContact CD1-CD1 3.46Å; Y44-L48 HydrophobicContact CD1-CG 4.36Å; Y44-L48 HydrophobicContact CE1-CD1 3.3Å; Y44-L48 HydrophobicContact CE1-CG 4.14Å; Y44-L48 HydrophobicContact CG-CD1 4.17Å; Y44-L48 WeakPolarHBondContact O-CB 3.4Å; Y44-L48 WeakPolarHBondContact O-CD1 3.28Å; Y44-L48 VanDerWaalsContact O-CG 3.32Å; Y44-L48 WeakPolarHBondContact O-CG 3.13Å; Y44-L48 PolarHBondContact O-N 3.37Å; L48-D50 VanDerWaalsContact C-N 3.3Å; L48-D50 PolarHBondContact O-N 2.78Å; L48-E51 PolarHBondContact O-N 2.84Å; L48-Q52 VanDerWaalsContact O-CB 3.24Å; L48-Q52 WeakPolarHBondContact O-CB 3.24Å; L48-Q52 PolarHBondContact O-N 3.4Å; L48-L85 HydrophobicContact CD2-CD2 3.51Å; L48-L85 HydrophobicContact CD2-CG 4.26Å; L48-M89 HydrophobicContact CD1-CE 3.14Å; L48-M89 HydrophobicContact CD1-SD 3.16Å; L48-M89 WeakPolarHBondContact CD1-SD 3.28Å; L48-M89 HydrophobicContact CD2-SD 4.03Å; L48-M89 HydrophobicContact CG-SD 4.18Å
49H61.2Low68.9Low112 Ų11293.2 Ų93.252%0.51945%0.452SS..Hα-helixtrans-64-41176.3-170.8-100.2000110.8A45 Q52 I53A45-H49 WeakPolarHBondContact O-CB 3.38Å; A45-H49 PolarHBondContact O-N 2.99Å; H49-Q52 PolarHBondContact O-N 2.78Å; H49-I53 WeakPolarHBondContact CE1-CD1 3.37Å; H49-I53 VanDerWaalsContact ND1-CD1 3.34Å; H49-I53 WeakPolarHBondContact ND1-CD1 3.34Å; H49-I53 WeakPolarHBondContact O-CB 3.32Å; H49-I53 VanDerWaalsContact O-CG1 3.27Å; H49-I53 WeakPolarHBondContact O-CG1 3.29Å; H49-I53 PolarHBondContact O-N 2.79Å
50D62.5Low68.9Low71 Ų7194 Ų9438%0.3845%0.453SS..Hα-helixtrans-61-43.1172.2-100.815.6000112.1A46 V47 L48 I53 K54A46-D50 VanDerWaalsContact O-CB 3.28Å; A46-D50 WeakPolarHBondContact O-CB 3.29Å; A46-D50 PolarHBondContact O-N 3.4Å; V47-D50 WeakPolarHBondContact O-CB 3.2Å; V47-D50 PolarHBondContact O-N 2.9Å; L48-D50 VanDerWaalsContact C-N 3.3Å; L48-D50 PolarHBondContact O-N 2.78Å; D50-I53 PolarHBondContact O-N 3.49Å; D50-K54 VanDerWaalsContact O-CB 3.26Å; D50-K54 WeakPolarHBondContact O-CB 3.42Å; D50-K54 WeakPolarHBondContact O-CD 3.33Å; D50-K54 WeakPolarHBondContact O-CG 3.48Å; D50-K54 PolarHBondContact O-N 3.32Å; D50-K54 IonicContact OD2-NZ 3.58Å
51E64.4Low68.9Low48 Ų4892.2 Ų92.222%0.22445%0.447CS..Hα-helixtrans-68.6-35179.1-170.1152.6-142.900112.5V47 L48 M77 L82V47-E51 WeakPolarHBondContact O-CB 3.27Å; V47-E51 PolarHBondContact O-N 3.25Å; L48-E51 PolarHBondContact O-N 2.84Å; E51-M77 HydrophobicContact CG-SD 4.42Å; E51-M77 WeakPolarHBondContact OE1-CG 3.2Å; E51-L82 HydrophobicContact CG-CD2 4.42Å
52Q60.4Low69.2Low126 Ų12692.5 Ų92.559%0.58945%0.451SS*.Hα-helixtrans-72.4-31.1175.9-169169.242.500112.8L48 H49L48-Q52 VanDerWaalsContact O-CB 3.24Å; L48-Q52 WeakPolarHBondContact O-CB 3.24Å; L48-Q52 PolarHBondContact O-N 3.4Å; H49-Q52 PolarHBondContact O-N 2.78Å
53I62.7Low69.5Low111 Ų11195.6 Ų95.657%0.56947%0.467SS*.Hα-helixtrans-85.8-27176.5-67172.6000111.8H49 D50 K55H49-I53 WeakPolarHBondContact CE1-CD1 3.37Å; H49-I53 VanDerWaalsContact ND1-CD1 3.34Å; H49-I53 WeakPolarHBondContact ND1-CD1 3.34Å; H49-I53 WeakPolarHBondContact O-CB 3.32Å; H49-I53 VanDerWaalsContact O-CG1 3.27Å; H49-I53 WeakPolarHBondContact O-CG1 3.29Å; H49-I53 PolarHBondContact O-N 2.79Å; D50-I53 PolarHBondContact O-N 3.49Å; I53-K55 PolarHBondContact O-N 2.98Å
54K69.2Low69.8Low61 Ų6192.1 Ų92.127%0.26546%0.459SS..SBendtrans-67.3121.9178.7-80.1161.7-165.7167.10109.8D50 R73D50-K54 VanDerWaalsContact O-CB 3.26Å; D50-K54 WeakPolarHBondContact O-CB 3.42Å; D50-K54 WeakPolarHBondContact O-CD 3.33Å; D50-K54 WeakPolarHBondContact O-CG 3.48Å; D50-K54 PolarHBondContact O-N 3.32Å; D50-K54 IonicContact OD2-NZ 3.58Å; K54-R73 VanDerWaalsContact CD-O 3.31Å; K54-R73 WeakPolarHBondContact CD-O 3.42Å; K54-R73 WeakPolarHBondContact CG-O 3.5Å
55K67.6Low70.8Confident164 Ų16491.2 Ų91.271%0.71346%0.463SS*.PPolyproline II helixtrans-54.5143170.5-65.3-175.2178.2-177.90110.1I53 F74 S75I53-K55 PolarHBondContact O-N 2.98Å; K55-F74 HydrophobicContact CB-CD1 4.45Å; K55-F74 WeakPolarHBondContact O-CB 3.16Å; K55-F74 WeakPolarHBondContact O-CD1 3.32Å; K55-S75 PolarHBondContact O-N 3.33Å
56P73.4Confident71.9Confident69 Ų6988.6 Ų88.645%0.44844%0.44SS..BIsolated β-bridgetrans-62.7143.3-179.424.5-33.4000111.3R58P56-R58 PolarHBondContact O-N 3.27Å; P56-R58 VanDerWaalsContact O-N 3.08Å
57C80.1Confident72.8Confident7 Ų792.3 Ų92.35%0.04745%0.453CS..  trans-69.3105.4179.4-177.50000110.3K59 F60 L61 F74 S75 H76C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 2.95Å; C57-F60 HydrophobicContact CB-CB 3.81Å; C57-F60 PolarHBondContact O-N 2.94Å; C57-F60 PolarHBondContact SG-N 2.95Å; C57-L61 WeakPolarHBondContact O-CB 3.46Å; C57-L61 PolarHBondContact O-N 3.46Å; C57-F74 HydrophobicContact CB-CB 3.61Å; C57-S75 VanDerWaalsContact CB-O 3.27Å; C57-S75 WeakPolarHBondContact CB-O 3.45Å; C57-S75 PolarHBondContact N-O 2.82Å; C57-H76 VanDerWaalsContact CB-CD2 3.44Å; C57-H76 WeakPolarHBondContact CB-CD2 3.35Å
58R77.7Confident73.3Confident192 Ų19296.1 Ų96.173%0.72547%0.466SS*.Hα-helixtrans-57.9-36.2179.7-62.2-176.179.9-1726.7113P56 Q62P56-R58 PolarHBondContact O-N 3.27Å; P56-R58 VanDerWaalsContact O-N 3.08Å; R58-Q62 VanDerWaalsContact O-CB 3.29Å; R58-Q62 WeakPolarHBondContact O-CB 3.41Å; R58-Q62 VanDerWaalsContact O-CG 3.25Å; R58-Q62 WeakPolarHBondContact O-CG 3.43Å; R58-Q62 PolarHBondContact O-N 2.89Å
59K78.9Confident74Confident101 Ų10196.4 Ų96.444%0.43947%0.474SS..Hα-helixtrans-66.6-44.5178.6-70.4-161.2-179.4-162.40111.8C57 Q62 K63 D67C57-K59 VanDerWaalsContact C-N 3.25Å; C57-K59 PolarHBondContact O-N 2.95Å; K59-Q62 PolarHBondContact O-N 3.1Å; K59-K63 WeakPolarHBondContact O-CB 3.19Å; K59-K63 PolarHBondContact O-N 3Å; K59-D67 IonicContact NZ-OD2 2.79Å; K59-D67 PolarHBondContact NZ-OD2 3.32Å
60F80.8Confident74.4Confident73 Ų7397.3 Ų97.332%0.3249%0.49SS..Hα-helixtrans-66.6-43.3177.3-170.3-101.5000111.1C57 Q62 G64 C66 H76C57-F60 HydrophobicContact CB-CB 3.81Å; C57-F60 PolarHBondContact O-N 2.94Å; C57-F60 PolarHBondContact SG-N 2.95Å; F60-Q62 VanDerWaalsContact C-N 3.33Å; F60-Q62 PolarHBondContact O-N 3.03Å; F60-G64 VanDerWaalsContact CE2-O 3.26Å; F60-G64 WeakPolarHBondContact CE2-O 3.37Å; F60-G64 WeakPolarHBondContact O-CA 3.44Å; F60-G64 PolarHBondContact O-N 3.37Å; F60-C66 HydrophobicContact CB-CB 4.22Å; F60-C66 HydrophobicContact CD2-CB 4.14Å; F60-H76 HydrophobicContact CD1-CB 3.91Å; F60-H76 WeakPolarHBondContact CD1-O 3.22Å; F60-H76 HydrophobicContact CD2-CB 4.48Å; F60-H76 HydrophobicContact CE1-CB 4.01Å; F60-H76 WeakPolarHBondContact CE1-O 3.22Å; F60-H76 HydrophobicContact CG-CB 4.16Å; F60-H76 AromaticContact CG-CD2 3.86Å; F60-H76 AromaticContact CG-CG 3.91Å; F60-H76 HydrophobicContact CZ-CB 4.33Å
61L77.8Confident74.7Confident117 Ų117100.1 Ų100.161%0.61351%0.505SS*.Hα-helixtrans-64.3-35.7178.7-15290.9000112.8C57C57-L61 WeakPolarHBondContact O-CB 3.46Å; C57-L61 PolarHBondContact O-N 3.46Å
62Q78.3Confident75.2Confident139 Ų13998.7 Ų98.765%0.6550%0.501SS*.Hα-helixtrans-85.4-33.9-177.8-73.6178.6-13.800114.1R58 K59 F60R58-Q62 VanDerWaalsContact O-CB 3.29Å; R58-Q62 WeakPolarHBondContact O-CB 3.41Å; R58-Q62 VanDerWaalsContact O-CG 3.25Å; R58-Q62 WeakPolarHBondContact O-CG 3.43Å; R58-Q62 PolarHBondContact O-N 2.89Å; K59-Q62 PolarHBondContact O-N 3.1Å; F60-Q62 VanDerWaalsContact C-N 3.33Å; F60-Q62 PolarHBondContact O-N 3.03Å
63K82.6Confident75.7Confident166 Ų166100.9 Ų100.972%0.72250%0.503SS*.Hα-helixtrans-118.9-7.6-171.5-63.5-174.3176.6-173.10113.8K59 I65K59-K63 WeakPolarHBondContact O-CB 3.19Å; K59-K63 PolarHBondContact O-N 3Å; K63-I65 PolarHBondContact O-N 3.41Å; K63-I65 VanDerWaalsContact O-N 3.13Å
64G78.1Confident76.2Confident47 Ų47100.5 Ų100.549%0.48550%0.498SS..SBendtrans68.10.3-171.600000114.4F60F60-G64 VanDerWaalsContact CE2-O 3.26Å; F60-G64 WeakPolarHBondContact CE2-O 3.37Å; F60-G64 WeakPolarHBondContact O-CA 3.44Å; F60-G64 PolarHBondContact O-N 3.37Å
65I81.3Confident76.4Confident123 Ų12397.9 Ų97.963%0.63149%0.487SS*.  trans-133.6131.5-172.9-58.4170.1000108.7K63K63-I65 PolarHBondContact O-N 3.41Å; K63-I65 VanDerWaalsContact O-N 3.13Å
66C83.4Confident76.7Confident16 Ų1692.3 Ų92.311%0.10846%0.464CS..  trans-121.3123.4175.8-176.50000111F60 F68 G69 C72 H76F60-C66 HydrophobicContact CB-CB 4.22Å; F60-C66 HydrophobicContact CD2-CB 4.14Å; C66-F68 PolarHBondContact O-N 2.91Å; C66-F68 VanDerWaalsContact O-N 3.08Å; C66-G69 PolarHBondContact O-N 3.48Å; C66-G69 VanDerWaalsContact O-N 3.07Å; C66-C72 VanDerWaalsContact SG-SG 3.69Å; C66-H76 WeakPolarHBondContact CB-CE1 3.34Å; C66-H76 VanDerWaalsContact CB-NE2 3.26Å; C66-H76 WeakPolarHBondContact CB-NE2 3.31Å; C66-H76 VanDerWaalsContact SG-CE1 3.56Å; C66-H76 PolarHBondContact SG-NE2 3.11Å
67D82.8Confident76.3Confident122 Ų12291.3 Ų91.365%0.65245%0.453SS*.THydrogen-bonded Turntrans-59.9-21.1178.7-46.9-46.2000113K59K59-D67 IonicContact NZ-OD2 2.79Å; K59-D67 PolarHBondContact NZ-OD2 3.32Å
68F75.3Confident75.7Confident131 Ų13192.9 Ų92.958%0.57547%0.465SS*.THydrogen-bonded Turntrans-90.1-7.8-179.2-59.2-76.9000114C66 N71 C72C66-F68 PolarHBondContact O-N 2.91Å; C66-F68 VanDerWaalsContact O-N 3.08Å; F68-N71 PolarHBondContact O-N 2.99Å; F68-C72 HydrophobicContact CB-CB 4.01Å
69G76.4Confident75Confident28 Ų2891 Ų9129%0.28946%0.464SS..G310 helixtrans51.9-137.1177.200000113.7C66 N71 C72 H76C66-G69 PolarHBondContact O-N 3.48Å; C66-G69 VanDerWaalsContact O-N 3.07Å; G69-N71 PolarHBondContact O-N 3.38Å; G69-C72 WeakPolarHBondContact O-CB 3.45Å; G69-C72 PolarHBondContact O-N 2.97Å; G69-H76 PolarHBondContact O-CE1 3.3Å
70P68.4Low74.1Confident131 Ų13193 Ų9385%0.85148%0.475SS*.G310 helixtrans-72.7-10.5-178.231.4-35.9000113.7C72P70-C72 VanDerWaalsContact C-N 3.3Å
71N69.7Low73.5Confident130 Ų13093.3 Ų93.370%0.69548%0.48SS*.G310 helixtrans-92.38.7176.6-75.349.6000112.3F68 G69 R73F68-N71 PolarHBondContact O-N 2.99Å; G69-N71 PolarHBondContact O-N 3.38Å; N71-R73 PolarHBondContact O-N 3.45Å
72C75.3Confident73Confident19 Ų1990.5 Ų90.513%0.12847%0.466CS..  trans-58.4134.1178.7-169.20000111C66 F68 G69 P70 F74 H76C66-C72 VanDerWaalsContact SG-SG 3.69Å; F68-C72 HydrophobicContact CB-CB 4.01Å; G69-C72 WeakPolarHBondContact O-CB 3.45Å; G69-C72 PolarHBondContact O-N 2.97Å; P70-C72 VanDerWaalsContact C-N 3.3Å; C72-F74 PolarHBondContact O-N 2.92Å; C72-F74 PolarHBondContact SG-N 3.2Å; C72-F74 VanDerWaalsContact SG-N 3.44Å; C72-F74 PolarHBondContact SG-O 2.8Å; C72-F74 VanDerWaalsContact SG-O 3.41Å; C72-H76 VanDerWaalsContact CB-CE1 3.45Å; C72-H76 WeakPolarHBondContact CB-CE1 3.37Å; C72-H76 WeakPolarHBondContact CB-NE2 3.46Å; C72-H76 PolarHBondContact SG-NE2 3.2Å
73R70.3Confident72.6Confident171 Ų17190.6 Ų90.665%0.64546%0.464SS*.SBendtrans-71-16.9176.3-174.457.8176.8142.84.7112.2K54 N71K54-R73 VanDerWaalsContact CD-O 3.31Å; K54-R73 WeakPolarHBondContact CD-O 3.42Å; K54-R73 WeakPolarHBondContact CG-O 3.5Å; N71-R73 PolarHBondContact O-N 3.45Å
74F73.1Confident72.3Confident103 Ų10385.7 Ų85.745%0.45245%0.445SS..SBendtrans-109.1148.5-175.6-57.5-71.4000110.3K55 C57 C72 H76K55-F74 HydrophobicContact CB-CD1 4.45Å; K55-F74 WeakPolarHBondContact O-CB 3.16Å; K55-F74 WeakPolarHBondContact O-CD1 3.32Å; C57-F74 HydrophobicContact CB-CB 3.61Å; C72-F74 PolarHBondContact O-N 2.92Å; C72-F74 PolarHBondContact SG-N 3.2Å; C72-F74 VanDerWaalsContact SG-N 3.44Å; C72-F74 PolarHBondContact SG-O 2.8Å; C72-F74 VanDerWaalsContact SG-O 3.41Å; F74-H76 PolarHBondContact O-N 3.22Å
75S73.9Confident71.9Confident7 Ų785.4 Ų85.45%0.04943%0.433CS..BIsolated β-bridgetrans-65135.1180179.60000110.9K55 C57 M77K55-S75 PolarHBondContact O-N 3.33Å; C57-S75 VanDerWaalsContact CB-O 3.27Å; C57-S75 WeakPolarHBondContact CB-O 3.45Å; C57-S75 PolarHBondContact N-O 2.82Å; S75-M77 PolarHBondContact OG-N 3.39Å; S75-M77 VanDerWaalsContact OG-N 3.15Å
76H72.4Confident71.4Confident47 Ų4785.4 Ų85.422%0.21843%0.428CS..  trans-97.7-0.8170.3-70.6176000112.2C57 F60 C66 G69 C72 F74C57-H76 VanDerWaalsContact CB-CD2 3.44Å; C57-H76 WeakPolarHBondContact CB-CD2 3.35Å; F60-H76 HydrophobicContact CD1-CB 3.91Å; F60-H76 WeakPolarHBondContact CD1-O 3.22Å; F60-H76 HydrophobicContact CD2-CB 4.48Å; F60-H76 HydrophobicContact CE1-CB 4.01Å; F60-H76 WeakPolarHBondContact CE1-O 3.22Å; F60-H76 HydrophobicContact CG-CB 4.16Å; F60-H76 AromaticContact CG-CD2 3.86Å; F60-H76 AromaticContact CG-CG 3.91Å; F60-H76 HydrophobicContact CZ-CB 4.33Å; C66-H76 WeakPolarHBondContact CB-CE1 3.34Å; C66-H76 VanDerWaalsContact CB-NE2 3.26Å; C66-H76 WeakPolarHBondContact CB-NE2 3.31Å; C66-H76 VanDerWaalsContact SG-CE1 3.56Å; C66-H76 PolarHBondContact SG-NE2 3.11Å; G69-H76 PolarHBondContact O-CE1 3.3Å; C72-H76 VanDerWaalsContact CB-CE1 3.45Å; C72-H76 WeakPolarHBondContact CB-CE1 3.37Å; C72-H76 WeakPolarHBondContact CB-NE2 3.46Å; C72-H76 PolarHBondContact SG-NE2 3.2Å; F74-H76 PolarHBondContact O-N 3.22Å
77M66.1Low71.4Confident47 Ų4790.7 Ų90.723%0.23245%0.446CS..SBendtrans-73.6135.7175.2-60.9-162.772.900109.4E51 S75 D81 L82 L85E51-M77 HydrophobicContact CG-SD 4.42Å; E51-M77 WeakPolarHBondContact OE1-CG 3.2Å; S75-M77 PolarHBondContact OG-N 3.39Å; S75-M77 VanDerWaalsContact OG-N 3.15Å; M77-D81 HydrophobicContact CB-CB 4.27Å; M77-D81 HydrophobicContact CE-CB 3.58Å; M77-L82 HydrophobicContact CB-CD1 4.23Å; M77-L82 HydrophobicContact CB-CD2 4.28Å; M77-L82 HydrophobicContact CB-CG 3.79Å; M77-L82 HydrophobicContact SD-CD2 4.31Å; M77-L85 HydrophobicContact CE-CB 4.49Å; M77-L85 HydrophobicContact CE-CD2 3.97Å; M77-L85 HydrophobicContact SD-CD2 4Å
78S66.7Low71Confident41 Ų4190 Ų9029%0.28744%0.439SS..  trans-67.9159.9169.372.80000109.7E80 D81 L82S78-E80 PolarHBondContact O-N 3.42Å; S78-D81 WeakPolarHBondContact CB-OD2 3.3Å; S78-D81 PolarHBondContact N-OD2 2.89Å; S78-D81 PolarHBondContact O-N 2.96Å; S78-D81 VanDerWaalsContact O-N 3.16Å; S78-D81 PolarHBondContact OG-N 3.43Å; S78-D81 VanDerWaalsContact OG-N 3.13Å; S78-D81 PolarHBondContact OG-OD2 3.46Å; S78-L82 PolarHBondContact O-N 3.15Å
79E62.8Low70.9Confident153 Ų15387.4 Ų87.472%0.71543%0.429SS*.Hα-helixtrans-58-31176.4-66.4-179.9178.500111.8F83E79-F83 PolarHBondContact O-N 2.96Å; E79-F83 VanDerWaalsContact O-N 3.09Å
80E61.8Low71Confident143 Ų14391.3 Ų91.367%0.66844%0.44SS*.Hα-helixtrans-73.2-40.9176.7-171.2163.4-140.600112.3S78 L82 F83 N84S78-E80 PolarHBondContact O-N 3.42Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.09Å; E80-F83 PolarHBondContact O-N 3.04Å; E80-N84 WeakPolarHBondContact O-CB 3.21Å; E80-N84 PolarHBondContact O-N 3.24Å; E80-N84 PolarHBondContact O-ND2 2.61Å
81D68.1Low71.5Confident79 Ų7989.8 Ų89.842%0.42242%0.421SS..Hα-helixtrans-65-39175.1-60-45.4000111.4M77 S78 N84 L85M77-D81 HydrophobicContact CB-CB 4.27Å; M77-D81 HydrophobicContact CE-CB 3.58Å; S78-D81 WeakPolarHBondContact CB-OD2 3.3Å; S78-D81 PolarHBondContact N-OD2 2.89Å; S78-D81 PolarHBondContact O-N 2.96Å; S78-D81 VanDerWaalsContact O-N 3.16Å; S78-D81 PolarHBondContact OG-N 3.43Å; S78-D81 VanDerWaalsContact OG-N 3.13Å; S78-D81 PolarHBondContact OG-OD2 3.46Å; D81-N84 PolarHBondContact O-N 3.43Å; D81-L85 VanDerWaalsContact O-CB 3.24Å; D81-L85 WeakPolarHBondContact O-CB 3.36Å; D81-L85 PolarHBondContact O-N 3.18Å
82L65.8Low71.8Confident58 Ų5889.2 Ų89.230%0.30442%0.415SS..Hα-helixtrans-63.9-40.3174.5-79.2160.5000111.9E51 M77 S78 E80 K86E51-L82 HydrophobicContact CG-CD2 4.42Å; M77-L82 HydrophobicContact CB-CD1 4.23Å; M77-L82 HydrophobicContact CB-CD2 4.28Å; M77-L82 HydrophobicContact CB-CG 3.79Å; M77-L82 HydrophobicContact SD-CD2 4.31Å; S78-L82 PolarHBondContact O-N 3.15Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.09Å; L82-K86 VanDerWaalsContact O-CB 3.31Å; L82-K86 WeakPolarHBondContact O-CB 3.2Å; L82-K86 PolarHBondContact O-N 3.21Å
83F70.2Confident71.8Confident141 Ų14196.2 Ų96.262%0.61844%0.438SS*.Hα-helixtrans-65.5-47.3176.3-178.3-96.2000111.8E79 E80 L85 K86 R87E79-F83 PolarHBondContact O-N 2.96Å; E79-F83 VanDerWaalsContact O-N 3.09Å; E80-F83 PolarHBondContact O-N 3.04Å; F83-L85 VanDerWaalsContact C-N 3.34Å; F83-L85 PolarHBondContact O-N 3Å; F83-K86 PolarHBondContact O-N 3.09Å; F83-R87 PolarHBondContact O-N 3.26Å
84N75.9Confident71.9Confident62 Ų6292.6 Ų92.633%0.33243%0.429SS..Hα-helixtrans-62.2-41.1178-75.8-37.4000112.1E80 D81 R87 H88E80-N84 WeakPolarHBondContact O-CB 3.21Å; E80-N84 PolarHBondContact O-N 3.24Å; E80-N84 PolarHBondContact O-ND2 2.61Å; D81-N84 PolarHBondContact O-N 3.43Å; N84-R87 PolarHBondContact O-N 3.13Å; N84-R87 PolarHBondContact OD1-NH2 3.47Å; N84-H88 PolarHBondContact O-N 3.09Å
85L69.3Low71.9Confident41 Ų4194.4 Ų94.422%0.21544%0.438CS..Hα-helixtrans-64.7-44.4176.6-169.165.7000111.4L48 M77 D81 F83 R87 H88 M89L48-L85 HydrophobicContact CD2-CD2 3.51Å; L48-L85 HydrophobicContact CD2-CG 4.26Å; M77-L85 HydrophobicContact CE-CB 4.49Å; M77-L85 HydrophobicContact CE-CD2 3.97Å; M77-L85 HydrophobicContact SD-CD2 4Å; D81-L85 VanDerWaalsContact O-CB 3.24Å; D81-L85 WeakPolarHBondContact O-CB 3.36Å; D81-L85 PolarHBondContact O-N 3.18Å; F83-L85 VanDerWaalsContact C-N 3.34Å; F83-L85 PolarHBondContact O-N 3Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.48Å; L85-H88 PolarHBondContact O-N 3.16Å; L85-M89 WeakPolarHBondContact O-CG 3.13Å; L85-M89 PolarHBondContact O-N 2.96Å
86K72.4Confident71.7Confident123 Ų123100.2 Ų100.254%0.53546%0.463SS..Hα-helixtrans-61.2-40.1176.9-172.2177.1-179.6-177.60111.9L82 F83 Q90L82-K86 VanDerWaalsContact O-CB 3.31Å; L82-K86 WeakPolarHBondContact O-CB 3.2Å; L82-K86 PolarHBondContact O-N 3.21Å; F83-K86 PolarHBondContact O-N 3.09Å; K86-Q90 PolarHBondContact O-N 3.2Å; K86-Q90 VanDerWaalsContact O-N 3.1Å
87R81.8Confident71.6Confident127 Ų127101.9 Ų101.948%0.47947%0.471SS..Hα-helixtrans-62.4-51.6175179.8-177.260162.8-3.5111.4F83 N84 L85 M89 Q90 E91F83-R87 PolarHBondContact O-N 3.26Å; N84-R87 PolarHBondContact O-N 3.13Å; N84-R87 PolarHBondContact OD1-NH2 3.47Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.48Å; R87-M89 VanDerWaalsContact C-N 3.25Å; R87-M89 PolarHBondContact O-N 3.12Å; R87-Q90 WeakPolarHBondContact O-CB 3.44Å; R87-Q90 PolarHBondContact O-N 3.16Å; R87-E91 HydrophobicContact CG-CG 4.48Å; R87-E91 VanDerWaalsContact CG-OE1 3.29Å; R87-E91 WeakPolarHBondContact CG-OE1 3.33Å; R87-E91 WeakPolarHBondContact O-CG 3.4Å; R87-E91 PolarHBondContact O-N 2.94Å
88H75.1Confident71.6Confident109 Ų109104.1 Ų104.151%0.50548%0.483SS..Hα-helixtrans-59.3-37.5179.7-169.4-63.3000112.1N84 L85 E92N84-H88 PolarHBondContact O-N 3.09Å; L85-H88 PolarHBondContact O-N 3.16Å; H88-E92 IonicContact CE1-OE1 2.97Å; H88-E92 WeakPolarHBondContact O-CB 3.32Å; H88-E92 VanDerWaalsContact O-CG 3.29Å; H88-E92 WeakPolarHBondContact O-CG 3.4Å; H88-E92 PolarHBondContact O-N 2.83Å
89M73.2Confident71.7Confident75 Ų75104.5 Ų104.537%0.36949%0.486SS..Hα-helixtrans-66.8-36.4174.9-74.8-167.982.900113.8Y44 L48 L85 R87 R93Y44-M89 HydrophobicContact CD1-CE 4.47Å; Y44-M89 HydrophobicContact CE1-CE 4.22Å; L48-M89 HydrophobicContact CD1-CE 3.14Å; L48-M89 HydrophobicContact CD1-SD 3.16Å; L48-M89 WeakPolarHBondContact CD1-SD 3.28Å; L48-M89 HydrophobicContact CD2-SD 4.03Å; L48-M89 HydrophobicContact CG-SD 4.18Å; L85-M89 WeakPolarHBondContact O-CG 3.13Å; L85-M89 PolarHBondContact O-N 2.96Å; R87-M89 VanDerWaalsContact C-N 3.25Å; R87-M89 PolarHBondContact O-N 3.12Å; M89-R93 VanDerWaalsContact O-CB 3.27Å; M89-R93 WeakPolarHBondContact O-CB 3.28Å; M89-R93 PolarHBondContact O-N 3.27Å
90Q79.1Confident71.8Confident110 Ų110101.5 Ų101.551%0.51447%0.472SS..Hα-helixtrans-70.4-39.3178.1-174.3168.5-0.900110.8K86 R87 R93 Q94K86-Q90 PolarHBondContact O-N 3.2Å; K86-Q90 VanDerWaalsContact O-N 3.1Å; R87-Q90 WeakPolarHBondContact O-CB 3.44Å; R87-Q90 PolarHBondContact O-N 3.16Å; Q90-R93 PolarHBondContact O-N 2.89Å; Q90-Q94 WeakPolarHBondContact O-CB 3.45Å; Q90-Q94 WeakPolarHBondContact O-CG 3.44Å; Q90-Q94 PolarHBondContact O-N 3.27Å
91E78.2Confident71.8Confident99 Ų9999.7 Ų99.746%0.46347%0.467SS..Hα-helixtrans-63.3-46.6173.4-69.8167.8179.100111.3R87 R93 Q94 H95R87-E91 HydrophobicContact CG-CG 4.48Å; R87-E91 VanDerWaalsContact CG-OE1 3.29Å; R87-E91 WeakPolarHBondContact CG-OE1 3.33Å; R87-E91 WeakPolarHBondContact O-CG 3.4Å; R87-E91 PolarHBondContact O-N 2.94Å; E91-R93 PolarHBondContact O-N 3.36Å; E91-Q94 PolarHBondContact O-N 3.24Å; E91-H95 WeakPolarHBondContact O-CB 3.44Å; E91-H95 PolarHBondContact O-N 3.21Å
92E76.6Confident71.5Confident119 Ų119105.3 Ų105.356%0.55648%0.482SS*.Hα-helixtrans-62.1-42.6175.4-78.5-76.2131.300112.4H88 H95 K96H88-E92 IonicContact CE1-OE1 2.97Å; H88-E92 WeakPolarHBondContact O-CB 3.32Å; H88-E92 VanDerWaalsContact O-CG 3.29Å; H88-E92 WeakPolarHBondContact O-CG 3.4Å; H88-E92 PolarHBondContact O-N 2.83Å; E92-H95 PolarHBondContact O-N 2.78Å; E92-K96 VanDerWaalsContact O-CB 3.31Å; E92-K96 WeakPolarHBondContact O-CB 3.27Å; E92-K96 PolarHBondContact O-N 3.47Å
93R75.2Confident71.4Confident165 Ų165107.3 Ų107.362%0.62349%0.492SS*.Hα-helixtrans-63.1-45.9175.9176.7-173.4-83.4-119.54.8110.7M89 Q90 E91 H95 K96 E97M89-R93 VanDerWaalsContact O-CB 3.27Å; M89-R93 WeakPolarHBondContact O-CB 3.28Å; M89-R93 PolarHBondContact O-N 3.27Å; Q90-R93 PolarHBondContact O-N 2.89Å; E91-R93 PolarHBondContact O-N 3.36Å; R93-H95 VanDerWaalsContact C-N 3.34Å; R93-K96 PolarHBondContact O-N 3.32Å; R93-E97 VanDerWaalsContact CD-OE1 3.28Å; R93-E97 WeakPolarHBondContact CD-OE1 3.27Å; R93-E97 HydrophobicContact CG-CG 4.17Å; R93-E97 WeakPolarHBondContact CG-OE1 3.45Å; R93-E97 IonicContact NH1-OE1 3.03Å; R93-E97 WeakPolarHBondContact O-CB 3.11Å; R93-E97 VanDerWaalsContact O-CG 3.28Å; R93-E97 WeakPolarHBondContact O-CG 3.34Å; R93-E97 PolarHBondContact O-N 3.03Å
94Q73.4Confident70.8Confident96 Ų96105.8 Ų105.845%0.44949%0.489SS..Hα-helixtrans-61.7-43.6176.6-80.9168.72.300111.2Q90 E91 K96 E97 D98Q90-Q94 WeakPolarHBondContact O-CB 3.45Å; Q90-Q94 WeakPolarHBondContact O-CG 3.44Å; Q90-Q94 PolarHBondContact O-N 3.27Å; E91-Q94 PolarHBondContact O-N 3.24Å; Q94-K96 VanDerWaalsContact C-N 3.29Å; Q94-K96 PolarHBondContact O-N 2.9Å; Q94-E97 PolarHBondContact O-N 3.18Å; Q94-D98 WeakPolarHBondContact O-CB 3.24Å; Q94-D98 PolarHBondContact O-N 3.35Å
95H71Confident70Confident140 Ų140106.4 Ų106.465%0.64850%0.498SS*.Hα-helixtrans-64.8-34.7177.6-167.4-87.3000112.3E91 E92 R93 S99E91-H95 WeakPolarHBondContact O-CB 3.44Å; E91-H95 PolarHBondContact O-N 3.21Å; E92-H95 PolarHBondContact O-N 2.78Å; R93-H95 VanDerWaalsContact C-N 3.34Å; H95-S99 VanDerWaalsContact O-CB 3.22Å; H95-S99 WeakPolarHBondContact O-CB 3.42Å; H95-S99 PolarHBondContact O-N 2.92Å
96K71.7Confident69.5Low130 Ų130107.7 Ų107.757%0.56552%0.522SS*.Hα-helixtrans-74.9-42.7176.9-161.7-177.5-178.8-149.60112.3E92 R93 Q94 S99 E100E92-K96 VanDerWaalsContact O-CB 3.31Å; E92-K96 WeakPolarHBondContact O-CB 3.27Å; E92-K96 PolarHBondContact O-N 3.47Å; R93-K96 PolarHBondContact O-N 3.32Å; Q94-K96 VanDerWaalsContact C-N 3.29Å; Q94-K96 PolarHBondContact O-N 2.9Å; K96-S99 PolarHBondContact O-N 3.3Å; K96-E100 WeakPolarHBondContact CE-OE1 3.5Å; K96-E100 IonicContact NZ-OE1 2.69Å; K96-E100 WeakPolarHBondContact O-CB 3.21Å; K96-E100 VanDerWaalsContact O-CG 3.29Å; K96-E100 WeakPolarHBondContact O-CG 3.34Å; K96-E100 PolarHBondContact O-N 2.66Å
97E69.2Low68.9Low82 Ų82110.1 Ų110.138%0.38353%0.528SS..Hα-helixtrans-61.5-46.1172.9-73.6170.4-178.500110R93 Q94 S99 E100 D101R93-E97 VanDerWaalsContact CD-OE1 3.28Å; R93-E97 WeakPolarHBondContact CD-OE1 3.27Å; R93-E97 HydrophobicContact CG-CG 4.17Å; R93-E97 WeakPolarHBondContact CG-OE1 3.45Å; R93-E97 IonicContact NH1-OE1 3.03Å; R93-E97 WeakPolarHBondContact O-CB 3.11Å; R93-E97 VanDerWaalsContact O-CG 3.28Å; R93-E97 WeakPolarHBondContact O-CG 3.34Å; R93-E97 PolarHBondContact O-N 3.03Å; Q94-E97 PolarHBondContact O-N 3.18Å; E97-S99 VanDerWaalsContact C-N 3.31Å; E97-S99 PolarHBondContact O-N 2.88Å; E97-E100 PolarHBondContact O-N 2.66Å; E97-D101 VanDerWaalsContact O-CB 3.31Å; E97-D101 WeakPolarHBondContact O-CB 3.1Å; E97-D101 PolarHBondContact O-N 3.31Å
98D67Low68.5Low93 Ų93106.2 Ų106.250%0.49752%0.52SS..Hα-helixtrans-61.8-37.1174.4-72.9-13.1000112.2Q94 R102Q94-D98 WeakPolarHBondContact O-CB 3.24Å; Q94-D98 PolarHBondContact O-N 3.35Å; D98-R102 VanDerWaalsContact O-CB 3.3Å; D98-R102 WeakPolarHBondContact O-CB 3.26Å; D98-R102 WeakPolarHBondContact O-CG 3.05Å; D98-R102 PolarHBondContact O-N 3.4Å
99S68.4Low68.3Low50 Ų50107 Ų10735%0.3553%0.527SS..Hα-helixtrans-70.7-43.2175.3-176.80000111.8H95 K96 E97 R102 I103H95-S99 VanDerWaalsContact O-CB 3.22Å; H95-S99 WeakPolarHBondContact O-CB 3.42Å; H95-S99 PolarHBondContact O-N 2.92Å; K96-S99 PolarHBondContact O-N 3.3Å; E97-S99 VanDerWaalsContact C-N 3.31Å; E97-S99 PolarHBondContact O-N 2.88Å; S99-R102 PolarHBondContact O-N 2.69Å; S99-I103 WeakPolarHBondContact O-CB 3.12Å; S99-I103 WeakPolarHBondContact O-CD1 3.27Å; S99-I103 WeakPolarHBondContact O-CG1 3.12Å; S99-I103 PolarHBondContact O-N 2.97Å
100E63.5Low68.5Low90 Ų90109.8 Ų109.842%0.42154%0.538SS..Hα-helixtrans-65.9-43.5178-75.5175.9-173.900110K96 E97 R102 I103 I104K96-E100 WeakPolarHBondContact CE-OE1 3.5Å; K96-E100 IonicContact NZ-OE1 2.69Å; K96-E100 WeakPolarHBondContact O-CB 3.21Å; K96-E100 VanDerWaalsContact O-CG 3.29Å; K96-E100 WeakPolarHBondContact O-CG 3.34Å; K96-E100 PolarHBondContact O-N 2.66Å; E97-E100 PolarHBondContact O-N 2.66Å; E100-R102 PolarHBondContact O-N 2.74Å; E100-I103 PolarHBondContact O-N 3.28Å; E100-I104 VanDerWaalsContact O-CB 3.32Å; E100-I104 WeakPolarHBondContact O-CB 3.4Å; E100-I104 WeakPolarHBondContact O-CD1 3.34Å; E100-I104 WeakPolarHBondContact O-CG1 3.31Å; E100-I104 PolarHBondContact O-N 3.27Å
101D62.1Low68.4Low105 Ų105110.7 Ų110.756%0.56154%0.543SS*.Hα-helixtrans-63.8-38.4174.6-80.2-11.3000112E97 S105E97-D101 VanDerWaalsContact O-CB 3.31Å; E97-D101 WeakPolarHBondContact O-CB 3.1Å; E97-D101 PolarHBondContact O-N 3.31Å; D101-S105 WeakPolarHBondContact O-CB 3.31Å; D101-S105 PolarHBondContact O-N 3.14Å
102R63Low68.4Low196 Ų196113.2 Ų113.274%0.7455%0.548SS*.Hα-helixtrans-65.5-41.3172.2-79.4176-175.2-1624.2112.5D98 S99 E100 G106D98-R102 VanDerWaalsContact O-CB 3.3Å; D98-R102 WeakPolarHBondContact O-CB 3.26Å; D98-R102 WeakPolarHBondContact O-CG 3.05Å; D98-R102 PolarHBondContact O-N 3.4Å; S99-R102 PolarHBondContact O-N 2.69Å; E100-R102 PolarHBondContact O-N 2.74Å; R102-G106 PolarHBondContact O-N 2.84Å
103I62.8Low68.6Low101 Ų101111.2 Ų111.252%0.51854%0.541SS..Hα-helixtrans-67.5-41.3177.9-69.4162.7000110.5S99 E100 G106 R107S99-I103 WeakPolarHBondContact O-CB 3.12Å; S99-I103 WeakPolarHBondContact O-CD1 3.27Å; S99-I103 WeakPolarHBondContact O-CG1 3.12Å; S99-I103 PolarHBondContact O-N 2.97Å; E100-I103 PolarHBondContact O-N 3.28Å; I103-G106 PolarHBondContact O-N 3.39Å; I103-R107 PolarHBondContact O-N 3.22Å
104I58.9Low68.9Low108 Ų108105.6 Ų105.655%0.55453%0.527SS*.Hα-helixtrans-68.8-41.3177.9-67.9162000110.4E100 R107 S108E100-I104 VanDerWaalsContact O-CB 3.32Å; E100-I104 WeakPolarHBondContact O-CB 3.4Å; E100-I104 WeakPolarHBondContact O-CD1 3.34Å; E100-I104 WeakPolarHBondContact O-CG1 3.31Å; E100-I104 PolarHBondContact O-N 3.27Å; I104-R107 CarbonylContact O-C 3.46Å; I104-R107 PolarHBondContact O-N 3Å; I104-S108 PolarHBondContact O-N 3.39Å; I104-S108 VanDerWaalsContact O-N 3.09Å
105S58.7Low69.2Low75 Ų75108.8 Ų108.852%0.52454%0.539SS..Hα-helixtrans-64.1-40175-1710000111.9D101 R107D101-S105 WeakPolarHBondContact O-CB 3.31Å; D101-S105 PolarHBondContact O-N 3.14Å; S105-R107 VanDerWaalsContact C-N 3.31Å; S105-R107 PolarHBondContact O-N 3.49Å
106G58.2Low69.4Low68 Ų68107.8 Ų107.870%0.70153%0.53SS*.Hα-helixtrans-71.7-20.1178.300000114.9R102 I103R102-G106 PolarHBondContact O-N 2.84Å; I103-G106 PolarHBondContact O-N 3.39Å
107R59.2Low69.9Low175 Ų175108.4 Ų108.466%0.6654%0.535SS*.THydrogen-bonded Turntrans-115.325.2177-74.8-174.5170.5-171-5.1112.9I103 I104 S105 I109 D143I103-R107 PolarHBondContact O-N 3.22Å; I104-R107 CarbonylContact O-C 3.46Å; I104-R107 PolarHBondContact O-N 3Å; S105-R107 VanDerWaalsContact C-N 3.31Å; S105-R107 PolarHBondContact O-N 3.49Å; R107-I109 PolarHBondContact O-N 2.98Å; R107-I109 VanDerWaalsContact O-N 3.1Å; R107-D143 IonicContact CZ-OD1 3.93Å; R107-D143 IonicContact NH2-OD1 3.58Å; R107-D143 PolarHBondContact NH2-OD1 3Å
108S74.7Confident70.5Confident45 Ų45111.9 Ų111.932%0.31555%0.548SS..  trans-63.7113.7-179.7-178.90000111I104 E110 E111 W112I104-S108 PolarHBondContact O-N 3.39Å; I104-S108 VanDerWaalsContact O-N 3.09Å; S108-E110 PolarHBondContact O-N 3.49Å; S108-E111 PolarHBondContact O-N 2.81Å; S108-W112 PolarHBondContact O-N 2.84Å
109I70.9Confident71Confident126 Ų126113.5 Ų113.565%0.64655%0.551SS**Hα-helixtrans-56.4-36.7178.3-65.1168.6000110.5R107 W112 L113R107-I109 PolarHBondContact O-N 2.98Å; R107-I109 VanDerWaalsContact O-N 3.1Å; I109-W112 PolarHBondContact O-N 3.28Å; I109-L113 HydrophobicContact CG2-CD1 3.84Å; I109-L113 HydrophobicContact CG2-CG 4.16Å; I109-L113 WeakPolarHBondContact O-CB 3.17Å; I109-L113 VanDerWaalsContact O-CG 3.28Å; I109-L113 WeakPolarHBondContact O-CG 2.99Å; I109-L113 PolarHBondContact O-N 3.23Å
110E76.9Confident71.3Confident132 Ų132119 Ų11962%0.61756%0.564SS**Hα-helixtrans-65.2-40-178.7-16063.6-144.300112.1S108 S114S108-E110 PolarHBondContact O-N 3.49Å; E110-S114 WeakPolarHBondContact O-CB 3.26Å; E110-S114 PolarHBondContact O-N 3.12Å; E110-S114 PolarHBondContact O-OG 3.15Å
111E77.7Confident71.9Confident129 Ų129117.9 Ų117.960%0.60357%0.57SS**Hα-helixtrans-69.2-40.1177.2-168.3173.5178.900111.1S108 S114 K115S108-E111 PolarHBondContact O-N 2.81Å; E111-S114 PolarHBondContact O-N 2.78Å; E111-K115 WeakPolarHBondContact O-CB 3.44Å; E111-K115 PolarHBondContact O-N 3.38Å
112W77.8Confident72.4Confident152 Ų152116 Ų11658%0.57657%0.569SS**Hα-helixtrans-64-45.8174.3-176.691.3000112.5S108 I109 S114 K115 R116S108-W112 PolarHBondContact O-N 2.84Å; I109-W112 PolarHBondContact O-N 3.28Å; W112-S114 PolarHBondContact O-N 2.76Å; W112-K115 PolarHBondContact O-N 2.99Å; W112-R116 WeakPolarHBondContact O-CB 3.35Å; W112-R116 PolarHBondContact O-N 2.83Å
113L80.1Confident72.4Confident77 Ų77112.8 Ų112.840%0.40357%0.566SS.*Hα-helixtrans-60.7-45176.7-74.3173.6000111.2I109 K115 R116 E117I109-L113 HydrophobicContact CG2-CD1 3.84Å; I109-L113 HydrophobicContact CG2-CG 4.16Å; I109-L113 WeakPolarHBondContact O-CB 3.17Å; I109-L113 VanDerWaalsContact O-CG 3.28Å; I109-L113 WeakPolarHBondContact O-CG 2.99Å; I109-L113 PolarHBondContact O-N 3.23Å; L113-K115 PolarHBondContact O-N 3.35Å; L113-R116 PolarHBondContact O-N 2.91Å; L113-E117 WeakPolarHBondContact O-CB 3.27Å; L113-E117 PolarHBondContact O-N 3.01Å
114S80.8Confident72.2Confident47 Ų47111.2 Ų111.233%0.32958%0.575SS.*Hα-helixtrans-60.4-42.8176.5-66.60000112.5E110 E111 W112 R116 K118E110-S114 WeakPolarHBondContact O-CB 3.26Å; E110-S114 PolarHBondContact O-N 3.12Å; E110-S114 PolarHBondContact O-OG 3.15Å; E111-S114 PolarHBondContact O-N 2.78Å; W112-S114 PolarHBondContact O-N 2.76Å; S114-R116 VanDerWaalsContact C-N 3.34Å; S114-K118 WeakPolarHBondContact O-CB 3.49Å; S114-K118 WeakPolarHBondContact O-CD 3.26Å; S114-K118 WeakPolarHBondContact O-CG 3.23Å; S114-K118 PolarHBondContact O-N 3.18Å; S114-K118 VanDerWaalsContact O-N 3.09Å
115K81.3Confident72.1Confident164 Ų164111.1 Ų111.171%0.71358%0.584SS**Hα-helixtrans-65.7-38.4177.5-164.2169.7-174175.30111.4E111 W112 L113 K119E111-K115 WeakPolarHBondContact O-CB 3.44Å; E111-K115 PolarHBondContact O-N 3.38Å; W112-K115 PolarHBondContact O-N 2.99Å; L113-K115 PolarHBondContact O-N 3.35Å; K115-K119 PolarHBondContact O-N 3.06Å; K115-K119 VanDerWaalsContact O-N 3.09Å
116R75.1Confident71.6Confident119 Ų119116.6 Ų116.645%0.44960%0.598SS.*Hα-helixtrans-68.7-42.5177.2-171-180-171.3-161.44.8112.7W112 L113 S114 K119 R120W112-R116 WeakPolarHBondContact O-CB 3.35Å; W112-R116 PolarHBondContact O-N 2.83Å; L113-R116 PolarHBondContact O-N 2.91Å; S114-R116 VanDerWaalsContact C-N 3.34Å; R116-K119 PolarHBondContact O-N 3.43Å; R116-R120 PolarHBondContact O-N 3.2Å
117E82.4Confident71.2Confident143 Ų143116.7 Ų116.767%0.66860%0.599SS**Hα-helixtrans-64.7-42.6177.8-170.6165.6-147.100111.3L113 K119 R120 A121L113-E117 WeakPolarHBondContact O-CB 3.27Å; L113-E117 PolarHBondContact O-N 3.01Å; E117-K119 PolarHBondContact O-N 3.4Å; E117-R120 PolarHBondContact O-N 3.35Å; E117-A121 WeakPolarHBondContact O-CB 3.45Å; E117-A121 PolarHBondContact O-N 2.91Å
118K80.4Confident70.2Confident154 Ų154115.7 Ų115.767%0.6761%0.607SS**Hα-helixtrans-58.2-43.3171.9-71.1169-175.4174.40112.5S114 A121 A122S114-K118 WeakPolarHBondContact O-CB 3.49Å; S114-K118 WeakPolarHBondContact O-CD 3.26Å; S114-K118 WeakPolarHBondContact O-CG 3.23Å; S114-K118 PolarHBondContact O-N 3.18Å; S114-K118 VanDerWaalsContact O-N 3.09Å; K118-A121 PolarHBondContact O-N 3.46Å; K118-A122 WeakPolarHBondContact O-CB 3.29Å; K118-A122 PolarHBondContact O-N 3.07Å
119K77.8Confident68.5Low128 Ų128118.2 Ų118.256%0.55763%0.625SS**Hα-helixtrans-64.5-39.2175.9-162.8171.4-175.4171.60111.4K115 R116 E117 L123 D138K115-K119 PolarHBondContact O-N 3.06Å; K115-K119 VanDerWaalsContact O-N 3.09Å; R116-K119 PolarHBondContact O-N 3.43Å; E117-K119 PolarHBondContact O-N 3.4Å; K119-L123 WeakPolarHBondContact O-CG 3.25Å; K119-L123 PolarHBondContact O-N 3.08Å; K119-D138 IonicContact NZ-OD2 3.52Å; K119-D138 PolarHBondContact NZ-OD2 2.91Å; K119-D138 VanDerWaalsContact NZ-OD2 3.12Å
120R75.1Confident66.6Low165 Ų165121.5 Ų121.562%0.62363%0.634SS**Hα-helixtrans-68.9-40.2175.8-76.4-168.7169-165-3.5113.2R116 E117 A122 L123 G124R116-R120 PolarHBondContact O-N 3.2Å; E117-R120 PolarHBondContact O-N 3.35Å; R120-A122 VanDerWaalsContact C-N 3.35Å; R120-L123 PolarHBondContact O-N 3.21Å; R120-G124 PolarHBondContact O-N 3.4Å
121A76.3Confident64.9Low66 Ų66121.4 Ų121.455%0.54564%0.643SS.*Hα-helixtrans-64.4-39.2175.800000112E117 K118 L123 G124 S125E117-A121 WeakPolarHBondContact O-CB 3.45Å; E117-A121 PolarHBondContact O-N 2.91Å; K118-A121 PolarHBondContact O-N 3.46Å; A121-L123 VanDerWaalsContact C-N 3.33Å; A121-L123 PolarHBondContact O-N 3.21Å; A121-G124 PolarHBondContact O-N 3.41Å; A121-S125 PolarHBondContact O-N 3.44Å
122A72Confident62.7Low66 Ų66124.3 Ų124.355%0.54565%0.653SS.*Hα-helixtrans-64.3-35.1175.100000113.1K118 R120K118-A122 WeakPolarHBondContact O-CB 3.29Å; K118-A122 PolarHBondContact O-N 3.07Å; R120-A122 VanDerWaalsContact C-N 3.35Å
123L63.7Low60.9Low128 Ų128126 Ų12667%0.6767%0.668SS**Hα-helixtrans-76.4-33.5175.8-71.5165.5000112.7K119 R120 A121 S125K119-L123 WeakPolarHBondContact O-CG 3.25Å; K119-L123 PolarHBondContact O-N 3.08Å; R120-L123 PolarHBondContact O-N 3.21Å; A121-L123 VanDerWaalsContact C-N 3.33Å; A121-L123 PolarHBondContact O-N 3.21Å; L123-S125 PolarHBondContact O-N 3.26Å
124G58.9Low58.3Low69 Ų69129.4 Ų129.471%0.71169%0.686SS**Hα-helixtrans-70.3-16.5175.800000114.4R120 A121R120-G124 PolarHBondContact O-N 3.4Å; A121-G124 PolarHBondContact O-N 3.41Å
125S55.6Low56.2Low106 Ų106134.4 Ų134.474%0.74171%0.709SS**THydrogen-bonded Turntrans-93-13.1179.6-161.50000114.3A121 L123 G127A121-S125 PolarHBondContact O-N 3.44Å; L123-S125 PolarHBondContact O-N 3.26Å; S125-G127 PolarHBondContact O-N 3.13Å
126K49.2Very low54Low189 Ų189135.1 Ų135.182%0.82272%0.715SS**  trans-97.676.9172.2-90.2-178.4172.9175.40109.9
127G50.2Low52.3Low70 Ų70137.9 Ų137.972%0.72273%0.733SS**  trans-73.6124.5159.700000110S125S125-G127 PolarHBondContact O-N 3.13Å
128D37.5Very low49.9Very low154 Ų154136.9 Ų136.982%0.82473%0.733SS**  trans85.1136158-158.157.7000120.8
129S39.6Very low48Very low98 Ų98138.2 Ų138.269%0.68574%0.741SS**  trans84.3101.2164.6-71.60000121.6
130K29.1Very low46.3Very low196 Ų196136.3 Ų136.385%0.85275%0.749SS**  trans98120.2130.5-150.1158.5-176.51680119.1K132K130-K132 PolarHBondContact O-N 3.49Å
131T42.4Very low44.8Very low129 Ų129137.2 Ų137.279%0.79176%0.76SS**  trans-33.2120.6163.9240000114.5
132K31.2Very low43.4Very low190 Ų190137.8 Ų137.883%0.82676%0.76SS**  trans-146.4122.5136.9-78.7-161.3175.4179.60109.2K130K130-K132 PolarHBondContact O-N 3.49Å
133E39.3Very low42.7Very low189 Ų189140.8 Ų140.888%0.88377%0.768SS**  trans-54.1126.1156.4-62170.6151.700107.6
134D25.8Very low42.5Very low147 Ų147136.9 Ų136.979%0.78675%0.747SS**  trans-145116.4150.8-82.9-42.4000106.7E136D134-E136 PolarHBondContact O-N 3.19Å; D134-E136 VanDerWaalsContact O-N 3.11Å
135N38.1Very low42.7Very low152 Ų152137.2 Ų137.281%0.81374%0.736SS**  trans-58.6100.7167.7-88.1-62.9000108.8
136E34.3Very low43Very low179 Ų179140.2 Ų140.284%0.83674%0.739SS**  trans-119.499.8149.6-73.7-175.3167.200105.5D134 D138D134-E136 PolarHBondContact O-N 3.19Å; D134-E136 VanDerWaalsContact O-N 3.11Å; E136-D138 PolarHBondContact O-N 2.86Å
137E38.8Very low43.9Very low177 Ų177138.8 Ų138.883%0.82774%0.735SS**  trans-55.487.2164.6-64.1176.2160.900106.6E139E137-E139 PolarHBondContact O-N 3.08Å
138D33.2Very low44.5Very low123 Ų123137.9 Ų137.966%0.65871%0.713SS**  trans-57.995.1160.8-104.9-13.9000103.6K119 E136 A140K119-D138 IonicContact NZ-OD2 3.52Å; K119-D138 PolarHBondContact NZ-OD2 2.91Å; K119-D138 VanDerWaalsContact NZ-OD2 3.12Å; E136-D138 PolarHBondContact O-N 2.86Å; D138-A140 PolarHBondContact O-N 3.23Å
139E40.3Very low45.7Very low182 Ų182137 Ų13785%0.8570%0.702SS**  trans-52.792.3165.5-77.1-154153.500106.5E137 E141E137-E139 PolarHBondContact O-N 3.08Å; E139-E141 PolarHBondContact O-N 2.96Å
140A41.9Very low47Very low87 Ų87136.9 Ų136.972%0.71970%0.701SS**  trans-63.589158.500000104D138 S142D138-A140 PolarHBondContact O-N 3.23Å; A140-S142 VanDerWaalsContact C-N 3.26Å; A140-S142 WeakPolarHBondContact O-CA 3.44Å; A140-S142 PolarHBondContact O-N 3.38Å
141E42.5Very low49Very low184 Ų184132 Ų13286%0.8668%0.684SS**  trans-40.196.8174.6-151.8171.8-159.300106.8E139 D143E139-E141 PolarHBondContact O-N 2.96Å; E141-D143 PolarHBondContact O-N 3.5Å
142S47Very low50.2Low78 Ų78131.4 Ų131.455%0.54568%0.682SS.*  trans-71.9113.2-169.751.30000105.3A140 I144A140-S142 VanDerWaalsContact C-N 3.26Å; A140-S142 WeakPolarHBondContact O-CA 3.44Å; A140-S142 PolarHBondContact O-N 3.38Å; S142-I144 PolarHBondContact O-N 2.98Å
143D57.8Low52Low130 Ų130130.4 Ų130.470%0.69569%0.686SS**  trans-60.424.6171-111.9-30.8000112.4R107 E141 P145R107-D143 IonicContact CZ-OD1 3.93Å; R107-D143 IonicContact NH2-OD1 3.58Å; R107-D143 PolarHBondContact NH2-OD1 3Å; E141-D143 PolarHBondContact O-N 3.5Å; D143-P145 WeakPolarHBondContact O-CD 3.3Å
144I58.9Low53.3Low45 Ų45123.1 Ų123.123%0.23165%0.652CS.*  trans-92.4111.5179.2-56.8174.7000106.4S142 Q146 I148 F149 P160 P161S142-I144 PolarHBondContact O-N 2.98Å; I144-Q146 PolarHBondContact O-N 3Å; I144-I148 HydrophobicContact CG2-CD1 4.19Å; I144-F149 HydrophobicContact CB-CE2 4.4Å; I144-F149 HydrophobicContact CG2-CE2 3.77Å; I144-F149 HydrophobicContact CG2-CZ 4.03Å; I144-P160 HydrophobicContact CD1-CB 3.89Å; I144-P160 HydrophobicContact CG2-CB 4.22Å; I144-P161 HydrophobicContact CD1-CG 4.25Å
145P63.3Low55.6Low76 Ų76119.1 Ų119.149%0.49464%0.635SS.*  trans-53.9126.1177.3-25.534000110.5D143 Q147 I148D143-P145 WeakPolarHBondContact O-CD 3.3Å; P145-Q147 PolarHBondContact O-N 2.86Å; P145-I148 HydrophobicContact CB-CD1 4.49Å; P145-I148 HydrophobicContact CB-CG1 4.45Å; P145-I148 HydrophobicContact CG-CD1 4.35Å; P145-I148 WeakPolarHBondContact O-CB 3.42Å; P145-I148 PolarHBondContact O-N 3.13Å
146Q62.1Low57Low170 Ų170117.4 Ų117.479%0.79463%0.632SS**G310 helixtrans-53.8-26-179.3-67.2-176.6-11.500112.6I144 I148 F149I144-Q146 PolarHBondContact O-N 3Å; Q146-I148 PolarHBondContact O-N 3.01Å; Q146-F149 PolarHBondContact O-N 2.88Å
147Q67.7Low58.6Low158 Ų158114 Ų11474%0.73863%0.628SS**G310 helixtrans-59.5-24.3176.6-126.2151.7-53.300114.5P145 S150P145-Q147 PolarHBondContact O-N 2.86Å; Q147-S150 PolarHBondContact O-N 3.48Å
148I63.8Low59.9Low52 Ų52110.6 Ų110.627%0.26762%0.615SS.*G310 helixtrans-70.6-36178.5-63.2178000110.6I144 P145 Q146 S150 I151 L154I144-I148 HydrophobicContact CG2-CD1 4.19Å; P145-I148 HydrophobicContact CB-CD1 4.49Å; P145-I148 HydrophobicContact CB-CG1 4.45Å; P145-I148 HydrophobicContact CG-CD1 4.35Å; P145-I148 WeakPolarHBondContact O-CB 3.42Å; P145-I148 PolarHBondContact O-N 3.13Å; Q146-I148 PolarHBondContact O-N 3.01Å; I148-S150 PolarHBondContact O-N 3.26Å; I148-I151 PolarHBondContact O-N 3.38Å; I148-L154 HydrophobicContact CG2-CD1 3.55Å; I148-L154 VanDerWaalsContact O-CD1 3.29Å; I148-L154 WeakPolarHBondContact O-CD1 3.46Å
149F63.3Low61.6Low134 Ų134109.5 Ų109.559%0.58861%0.609SS**THydrogen-bonded Turntrans-70.4-18178.5-61.4-79.3000113.4I144 Q146 P160I144-F149 HydrophobicContact CB-CE2 4.4Å; I144-F149 HydrophobicContact CG2-CE2 3.77Å; I144-F149 HydrophobicContact CG2-CZ 4.03Å; Q146-F149 PolarHBondContact O-N 2.88Å; F149-P160 HydrophobicContact CD1-CG 4.18Å; F149-P160 HydrophobicContact CE1-CB 4.15Å; F149-P160 HydrophobicContact CE1-CG 3.52Å; F149-P160 HydrophobicContact CZ-CB 4.15Å; F149-P160 HydrophobicContact CZ-CG 4.01Å
150S66.6Low62.8Low96 Ų96102.6 Ų102.667%0.67158%0.579SS**THydrogen-bonded Turntrans-86.7-7.6179.4-57.40000113.8Q147 I148 P152Q147-S150 PolarHBondContact O-N 3.48Å; I148-S150 PolarHBondContact O-N 3.26Å; S150-P152 VanDerWaalsContact O-CD 3.29Å; S150-P152 WeakPolarHBondContact O-CD 3.44Å
151I71.3Confident64Low94 Ų94101.5 Ų101.548%0.48257%0.565SS.*SBendtrans-91.3112.2-179.3-59.2168.8000108.9I148 L154I148-I151 PolarHBondContact O-N 3.38Å; I151-L154 HydrophobicContact CB-CD1 4.37Å; I151-L154 HydrophobicContact CB-CD2 4.32Å; I151-L154 HydrophobicContact CB-CG 4.16Å; I151-L154 HydrophobicContact CD1-CD2 4.38Å; I151-L154 HydrophobicContact CG2-CD2 4.08Å; I151-L154 HydrophobicContact CG2-CG 4.08Å
152P66.6Low65.2Low117 Ų11795.8 Ų95.876%0.7654%0.544SS*.THydrogen-bonded Turntrans-68.9138.4170.326.9-30.5000110.3S150S150-P152 VanDerWaalsContact O-CD 3.29Å; S150-P152 WeakPolarHBondContact O-CD 3.44Å
153D69.4Low65.7Low168 Ų16898.9 Ų98.990%0.89856%0.562SS**THydrogen-bonded Turntrans7049.5172.1-121.36.8000116.2
154L67.4Low65.9Low36 Ų3695.9 Ų95.919%0.18856%0.561CS.*  trans-67.7135.6169.7-75.5161000111.2I148 I151 L158 L159I148-L154 HydrophobicContact CG2-CD1 3.55Å; I148-L154 VanDerWaalsContact O-CD1 3.29Å; I148-L154 WeakPolarHBondContact O-CD1 3.46Å; I151-L154 HydrophobicContact CB-CD1 4.37Å; I151-L154 HydrophobicContact CB-CD2 4.32Å; I151-L154 HydrophobicContact CB-CG 4.16Å; I151-L154 HydrophobicContact CD1-CD2 4.38Å; I151-L154 HydrophobicContact CG2-CD2 4.08Å; I151-L154 HydrophobicContact CG2-CG 4.08Å; L154-L158 HydrophobicContact CB-CB 4.46Å; L154-L158 HydrophobicContact CD2-CB 4.08Å; L154-L158 HydrophobicContact CD2-CD1 4.41Å; L154-L159 HydrophobicContact CB-CD2 4Å
155P74.1Confident66.1Low63 Ų6395.5 Ų95.541%0.40957%0.569SS.*  trans-60.9152.4174.426.4-34.1000110.6S157 L158P155-S157 PolarHBondContact O-N 3.03Å; P155-L158 HydrophobicContact CG-CB 4.18Å; P155-L158 HydrophobicContact CG-CD1 3.68Å; P155-L158 HydrophobicContact CG-CG 3.94Å; P155-L158 PolarHBondContact O-N 3.05Å
156P66.7Low66.3Low116 Ų116101.2 Ų101.275%0.75358%0.581SS**G310 helixtrans-53.3-28.1-172.8-28.634.4000115.6L158P156-L158 VanDerWaalsContact C-N 3.31Å
157S67.9Low66Low109 Ų109104.2 Ų104.276%0.76259%0.585SS**G310 helixtrans-75-14.4177.543.40000114.7P155P155-S157 PolarHBondContact O-N 3.03Å
158L67.1Low65.3Low104 Ų104102.3 Ų102.355%0.54558%0.584SS.*G310 helixtrans-112.18.3-179.4-62.3-178.9000112.6L154 P155 P156L154-L158 HydrophobicContact CB-CB 4.46Å; L154-L158 HydrophobicContact CD2-CB 4.08Å; L154-L158 HydrophobicContact CD2-CD1 4.41Å; P155-L158 HydrophobicContact CG-CB 4.18Å; P155-L158 HydrophobicContact CG-CD1 3.68Å; P155-L158 HydrophobicContact CG-CG 3.94Å; P155-L158 PolarHBondContact O-N 3.05Å; P156-L158 VanDerWaalsContact C-N 3.31Å
159L67.8Low64.8Low101 Ų101104 Ų10453%0.52960%0.6SS.*SBendtrans-74.7132.3174.4-66.4175000110L154L154-L159 HydrophobicContact CB-CD2 4Å
160P66.3Low64.3Low36 Ų36102.8 Ų102.823%0.23462%0.615CS.*PPolyproline II helixtrans-62.7148.1175.226.2-32.3000110.4I144 F149I144-P160 HydrophobicContact CD1-CB 3.89Å; I144-P160 HydrophobicContact CG2-CB 4.22Å; F149-P160 HydrophobicContact CD1-CG 4.18Å; F149-P160 HydrophobicContact CE1-CB 4.15Å; F149-P160 HydrophobicContact CE1-CG 3.52Å; F149-P160 HydrophobicContact CZ-CB 4.15Å; F149-P160 HydrophobicContact CZ-CG 4.01Å
161P66.7Low63.7Low65 Ų65102.3 Ų102.342%0.42261%0.612SS.*PPolyproline II helixtrans-60146.4174.427-34.6000110.4I144I144-P161 HydrophobicContact CD1-CG 4.25Å
162P68.5Low62.7Low63 Ų63102.3 Ų102.341%0.40962%0.62SS.*PPolyproline II helixtrans-61.3149.5177.525.7-33.4000110.9G164 G165P162-G164 PolarHBondContact O-N 3.47Å; P162-G165 PolarHBondContact O-N 3.49Å
163P56Low62Low144 Ų144105.8 Ų105.894%0.93563%0.626SS**THydrogen-bonded Turntrans-57.2114.4173.522-30.1000108.8
164G61.6Low61.2Low66 Ų66109.4 Ų109.468%0.6863%0.627SS**THydrogen-bonded Turntrans112.3-2.9-170.300000115.7P162P162-G164 PolarHBondContact O-N 3.47Å
165G64.7Low60.3Low38 Ų38114.9 Ų114.939%0.39269%0.693SS.*  trans72171.1175.100000114.4P162 R167P162-G165 PolarHBondContact O-N 3.49Å; G165-R167 PolarHBondContact O-N 2.92Å
166W66.2Low59.6Low195 Ų195117.5 Ų117.574%0.73971%0.707SS**  trans-78.2117.3170.3-60.590000108.5V168W166-V168 HydrophobicContact CB-CG2 4.19Å; W166-V168 PolarHBondContact O-N 3.2Å
167R56.1Low59.2Low233 Ų233117.5 Ų117.588%0.87970%0.704SS**  trans-68.981.8170.7-65.6-86.2-141.5-101.5-0.8108.4G165 S169G165-R167 PolarHBondContact O-N 2.92Å; R167-S169 PolarHBondContact O-N 3.03Å
168V53.8Low58.7Low118 Ų118118 Ų11872%0.71570%0.701SS**  trans-78.5105.7174.7-176.60000107.9W166 A170W166-V168 HydrophobicContact CB-CG2 4.19Å; W166-V168 PolarHBondContact O-N 3.2Å; V168-A170 PolarHBondContact O-N 3.39Å
169S52.5Low58.2Low87 Ų87118.8 Ų118.861%0.60871%0.71SS**  trans-63.9125.7162.151.20000108R167 S171R167-S169 PolarHBondContact O-N 3.03Å; S169-S171 PolarHBondContact O-N 3.45Å
170A52.9Low57.6Low110 Ų110119.9 Ų119.991%0.90972%0.722SS**SBendtrans-71.356.9-177.300000112.9V168V168-A170 PolarHBondContact O-N 3.39Å
171S53.9Low57.1Low86 Ų86125.5 Ų125.560%0.60175%0.754SS**  trans-147.36217764.90000110S169S169-S171 PolarHBondContact O-N 3.45Å
172S51.3Low56.4Low94 Ų94129.9 Ų129.966%0.65778%0.778SS**  trans-100.490.6157.4-72.30000107.2W174S172-W174 PolarHBondContact O-N 2.79Å
173E50.4Low55.4Low189 Ų189135 Ų13588%0.88381%0.806SS**  trans-66.2112.4161.2-64.5-179.1-176.700106.5G175E173-G175 PolarHBondContact O-N 3.2Å
174W53.3Low55.4Low244 Ų244134.3 Ų134.392%0.92480%0.795SS**  trans-75.5114.3171.8-70.177.7000107.1S172S172-W174 PolarHBondContact O-N 2.79Å
175G48.1Very low54.8Low151 Ų151140.5 Ų140.5100%1.55781%0.806SS**  trans-76.80172.400000112.9E173E173-G175 PolarHBondContact O-N 3.2Å

Retrieved 175 of 175 residues in 222.4 ms (Link to these results)

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